| 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 | F | 84.3 | Confident | 86.7 | Confident | 122 Ų | 122 | 59.9 Ų | 59.9 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | 0 | -81.8 | 0 | -177.9 | -116.3 | 0 | 0 | 0 | 110.1 | L3 V4 F5 M112 | F1-L3 PolarHBondContact O-N 3.01Å; F1-L3 VanDerWaalsContact O-N 3.08Å; F1-V4 PolarHBondContact O-N 2.81Å; F1-F5 HydrophobicContact CZ-CB 4.41Å; F1-F5 HydrophobicContact CZ-CD2 4.44Å; F1-F5 HydrophobicContact CZ-CG 4.31Å; F1-F5 PolarHBondContact O-N 3.28Å; F1-M112 HydrophobicContact CB-SD 3.99Å; F1-M112 HydrophobicContact CD2-CG 3.96Å; F1-M112 HydrophobicContact CD2-SD 3.73Å; F1-M112 HydrophobicContact CG-SD 4.28Å | |||
| 2 | F | 89 | Confident | 86.7 | Confident | 153 Ų | 153 | 61.8 Ų | 61.8 | 67% | 0.671 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -40.6 | -51.2 | -172.7 | -60.2 | -67.6 | 0 | 0 | 0 | 116 | V4 F5 S6 | F2-V4 PolarHBondContact O-N 3.23Å; F2-V4 VanDerWaalsContact O-N 3.1Å; F2-F5 CarbonylContact O-C 3.59Å; F2-F5 WeakPolarHBondContact O-CA 3.23Å; F2-F5 WeakPolarHBondContact O-CB 3.4Å; F2-F5 PolarHBondContact O-N 2.72Å; F2-S6 PolarHBondContact O-N 3.26Å; F2-S6 PolarHBondContact O-OG 2.76Å |
| 3 | L | 87.4 | Confident | 86.8 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -52.3 | -34.3 | 177.8 | 178.5 | 152.7 | 0 | 0 | 0 | 114.8 | F1 C7 V33 T34 F38 | F1-L3 PolarHBondContact O-N 3.01Å; F1-L3 VanDerWaalsContact O-N 3.08Å; L3-C7 WeakPolarHBondContact O-CB 3.41Å; L3-C7 PolarHBondContact O-N 2.97Å; L3-V33 HydrophobicContact CD1-CG1 4.27Å; L3-T34 HydrophobicContact CD2-CG2 3.51Å; L3-T34 HydrophobicContact CG-CG2 4.48Å; L3-F38 HydrophobicContact CD2-CE2 3.68Å; L3-F38 HydrophobicContact CD2-CZ 3.78Å |
| 4 | V | 86.2 | Confident | 86.6 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -78.8 | -38 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | F1 F2 C7 L8 F38 R108 | F1-V4 PolarHBondContact O-N 2.81Å; F2-V4 PolarHBondContact O-N 3.23Å; F2-V4 VanDerWaalsContact O-N 3.1Å; V4-C7 WeakPolarHBondContact O-CB 3.39Å; V4-C7 PolarHBondContact O-N 2.97Å; V4-L8 PolarHBondContact O-N 3.25Å; V4-F38 HydrophobicContact CG2-CE1 4.46Å; V4-F38 HydrophobicContact CG2-CE2 3.83Å; V4-F38 HydrophobicContact CG2-CZ 3.45Å; V4-F38 VanDerWaalsContact CG2-CZ 3.45Å; V4-R108 HydrophobicContact CG1-CB 3.8Å |
| 5 | F | 87.7 | Confident | 86.5 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 179.8 | -175.2 | -118.9 | 0 | 0 | 0 | 111.8 | F1 F2 L8 I9 | F1-F5 HydrophobicContact CZ-CB 4.41Å; F1-F5 HydrophobicContact CZ-CD2 4.44Å; F1-F5 HydrophobicContact CZ-CG 4.31Å; F1-F5 PolarHBondContact O-N 3.28Å; F2-F5 CarbonylContact O-C 3.59Å; F2-F5 WeakPolarHBondContact O-CA 3.23Å; F2-F5 WeakPolarHBondContact O-CB 3.4Å; F2-F5 PolarHBondContact O-N 2.72Å; F5-L8 PolarHBondContact O-N 3.01Å; F5-I9 HydrophobicContact CD1-CD1 3.74Å; F5-I9 HydrophobicContact CE1-CD1 3.52Å; F5-I9 HydrophobicContact CE2-CD1 4.3Å; F5-I9 HydrophobicContact CG-CD1 4.24Å; F5-I9 HydrophobicContact CZ-CD1 3.82Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.31Å |
| 6 | S | 88.4 | Confident | 86.6 | Confident | 54 Ų | 54 | 62 Ų | 62 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 172.5 | -56 | 0 | 0 | 0 | 0 | 112.4 | F2 I9 L10 | F2-S6 PolarHBondContact O-N 3.26Å; F2-S6 PolarHBondContact O-OG 2.76Å; S6-I9 PolarHBondContact O-N 3.37Å; S6-L10 WeakPolarHBondContact O-CB 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.24Å |
| 7 | C | 85.3 | Confident | 86.6 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L3 V4 L10 S11 T34 | L3-C7 WeakPolarHBondContact O-CB 3.41Å; L3-C7 PolarHBondContact O-N 2.97Å; V4-C7 WeakPolarHBondContact O-CB 3.39Å; V4-C7 PolarHBondContact O-N 2.97Å; C7-L10 PolarHBondContact O-N 2.9Å; C7-S11 PolarHBondContact O-N 2.78Å; C7-T34 HydrophobicContact CB-CG2 4.43Å |
| 8 | L | 85.9 | Confident | 86.7 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 174.1 | -172.7 | 156.6 | 0 | 0 | 0 | 111.7 | V4 F5 L10 S11 V12 M109 | V4-L8 PolarHBondContact O-N 3.25Å; F5-L8 PolarHBondContact O-N 3.01Å; L8-L10 PolarHBondContact O-N 3.44Å; L8-S11 VanDerWaalsContact O-CB 3.24Å; L8-S11 WeakPolarHBondContact O-CB 3.34Å; L8-S11 PolarHBondContact O-N 3.48Å; L8-S11 VanDerWaalsContact O-N 3.14Å; L8-V12 HydrophobicContact CD2-CG2 4.49Å; L8-V12 PolarHBondContact O-N 2.94Å; L8-V12 VanDerWaalsContact O-N 3.14Å; L8-M109 HydrophobicContact CD1-SD 4.03Å |
| 9 | I | 88.6 | Confident | 86.8 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.1 | -74 | 166.1 | 0 | 0 | 0 | 111.4 | F5 S6 S11 V12 F13 | F5-I9 HydrophobicContact CD1-CD1 3.74Å; F5-I9 HydrophobicContact CE1-CD1 3.52Å; F5-I9 HydrophobicContact CE2-CD1 4.3Å; F5-I9 HydrophobicContact CG-CD1 4.24Å; F5-I9 HydrophobicContact CZ-CD1 3.82Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.31Å; S6-I9 PolarHBondContact O-N 3.37Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.04Å; I9-V12 WeakPolarHBondContact O-CB 3.4Å; I9-V12 PolarHBondContact O-N 3.24Å; I9-V12 VanDerWaalsContact O-N 3.11Å; I9-F13 HydrophobicContact CG2-CD2 3.69Å; I9-F13 HydrophobicContact CG2-CE2 3.52Å; I9-F13 WeakPolarHBondContact O-CD2 3.38Å; I9-F13 PolarHBondContact O-N 3.13Å |
| 10 | L | 87.2 | Confident | 86.7 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.9 | -25 | 177.7 | -74.9 | 162.2 | 0 | 0 | 0 | 113 | S6 C7 L8 V12 F13 A14 L30 | S6-L10 WeakPolarHBondContact O-CB 3.38Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.24Å; C7-L10 PolarHBondContact O-N 2.9Å; L8-L10 PolarHBondContact O-N 3.44Å; L10-V12 VanDerWaalsContact C-N 3.35Å; L10-F13 PolarHBondContact O-N 3.03Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.93Å; L10-L30 HydrophobicContact CD1-CD1 3.39Å |
| 11 | S | 83.8 | Confident | 86.5 | Confident | 10 Ų | 10 | 80 Ų | 80 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 169.2 | -158.3 | 0 | 0 | 0 | 0 | 113 | C7 L8 I9 R102 Q105 | C7-S11 PolarHBondContact O-N 2.78Å; L8-S11 VanDerWaalsContact O-CB 3.24Å; L8-S11 WeakPolarHBondContact O-CB 3.34Å; L8-S11 PolarHBondContact O-N 3.48Å; L8-S11 VanDerWaalsContact O-N 3.14Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.04Å; S11-R102 WeakPolarHBondContact OG-CB 3.41Å; S11-R102 WeakPolarHBondContact OG-CG 3.39Å; S11-Q105 PolarHBondContact OG-OE1 2.89Å |
| 12 | V | 87.3 | Confident | 86.6 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.8 | -46 | 170.9 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | L8 I9 L10 A14 T15 | L8-V12 HydrophobicContact CD2-CG2 4.49Å; L8-V12 PolarHBondContact O-N 2.94Å; L8-V12 VanDerWaalsContact O-N 3.14Å; I9-V12 WeakPolarHBondContact O-CB 3.4Å; I9-V12 PolarHBondContact O-N 3.24Å; I9-V12 VanDerWaalsContact O-N 3.11Å; L10-V12 VanDerWaalsContact C-N 3.35Å; V12-A14 PolarHBondContact O-N 2.84Å; V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.39Å |
| 13 | F | 87.2 | Confident | 86.5 | Confident | 92 Ų | 92 | 73.3 Ų | 73.3 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -31.1 | 174.2 | -77.8 | -68.9 | 0 | 0 | 0 | 113 | I9 L10 T15 I16 | I9-F13 HydrophobicContact CG2-CD2 3.69Å; I9-F13 HydrophobicContact CG2-CE2 3.52Å; I9-F13 WeakPolarHBondContact O-CD2 3.38Å; I9-F13 PolarHBondContact O-N 3.13Å; L10-F13 PolarHBondContact O-N 3.03Å; F13-T15 PolarHBondContact O-N 3.2Å; F13-I16 HydrophobicContact CD1-CD1 3.92Å; F13-I16 HydrophobicContact CE1-CD1 4.38Å; F13-I16 WeakPolarHBondContact O-CB 3.31Å; F13-I16 PolarHBondContact O-N 3.5Å |
| 14 | A | 83.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -7.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L10 V12 E24 L27 R102 | L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 2.93Å; V12-A14 PolarHBondContact O-N 2.84Å; A14-E24 HydrophobicContact CB-CG 4.02Å; A14-L27 HydrophobicContact CB-CD1 4.3Å; A14-R102 PolarHBondContact O-NH1 2.87Å; A14-R102 PolarHBondContact O-NH2 2.94Å |
| 15 | T | 85.1 | Confident | 86.2 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -23.1 | 168.4 | 68.1 | 0 | 0 | 0 | 0 | 112.2 | V12 F13 R102 | V12-T15 PolarHBondContact O-N 3.42Å; V12-T15 PolarHBondContact O-OG1 3.39Å; F13-T15 PolarHBondContact O-N 3.2Å; T15-R102 VanDerWaalsContact CG2-NH1 3.31Å; T15-R102 VanDerWaalsContact N-NH1 3.19Å |
| 16 | I | 88.9 | Confident | 86.2 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 30% | 0.303 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -78.9 | 125.3 | -178.1 | -55.9 | 174.9 | 0 | 0 | 0 | 108.4 | F13 E18 Y19 K20 | F13-I16 HydrophobicContact CD1-CD1 3.92Å; F13-I16 HydrophobicContact CE1-CD1 4.38Å; F13-I16 WeakPolarHBondContact O-CB 3.31Å; F13-I16 PolarHBondContact O-N 3.5Å; I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 HydrophobicContact CG2-CB 4.34Å; I16-E18 WeakPolarHBondContact CG2-OE2 3.47Å; I16-E18 PolarHBondContact O-N 3.3Å; I16-Y19 HydrophobicContact CB-CD2 4.38Å; I16-Y19 HydrophobicContact CG2-CD2 3.81Å; I16-Y19 HydrophobicContact CG2-CE2 4.47Å; I16-Y19 PolarHBondContact O-N 3.11Å; I16-K20 PolarHBondContact O-N 2.88Å |
| 17 | R | 86.4 | Confident | 86.1 | Confident | 222 Ų | 222 | 73.1 Ų | 73.1 | 84% | 0.838 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -61.9 | -39.4 | -171.9 | -87.7 | 179.8 | 152.9 | 178.7 | -7.3 | 112.1 | Y19 | R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.38Å |
| 18 | E | 89 | Confident | 86 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -65.2 | -28.7 | -176.2 | -63 | 73 | -164.7 | 0 | 0 | 112.7 | I16 | I16-E18 VanDerWaalsContact C-N 3.29Å; I16-E18 HydrophobicContact CG2-CB 4.34Å; I16-E18 WeakPolarHBondContact CG2-OE2 3.47Å; I16-E18 PolarHBondContact O-N 3.3Å |
| 19 | Y | 87.9 | Confident | 86.1 | Confident | 139 Ų | 139 | 81.4 Ų | 81.4 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -113.9 | -0.8 | -176.4 | -61.9 | -70.1 | 0 | 0 | 0 | 113.8 | I16 R17 D21 S23 | I16-Y19 HydrophobicContact CB-CD2 4.38Å; I16-Y19 HydrophobicContact CG2-CD2 3.81Å; I16-Y19 HydrophobicContact CG2-CE2 4.47Å; I16-Y19 PolarHBondContact O-N 3.11Å; R17-Y19 VanDerWaalsContact C-N 3.28Å; R17-Y19 PolarHBondContact O-N 3.38Å; Y19-D21 PolarHBondContact O-N 3.44Å; Y19-S23 VanDerWaalsContact O-CB 3.23Å; Y19-S23 WeakPolarHBondContact O-CB 3.29Å; Y19-S23 PolarHBondContact O-N 3.34Å; Y19-S23 PolarHBondContact O-OG 2.84Å |
| 20 | K | 84.1 | Confident | 86.1 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -50.1 | -59.8 | -169.6 | 179.4 | -169.6 | 161.5 | -63 | 0 | 112.9 | I16 N22 S23 E24 | I16-K20 PolarHBondContact O-N 2.88Å; K20-N22 PolarHBondContact O-N 2.75Å; K20-S23 CarbonylContact O-C 3.43Å; K20-S23 PolarHBondContact O-N 3.48Å; K20-S23 VanDerWaalsContact O-N 3.12Å; K20-E24 VanDerWaalsContact CE-OE2 3.31Å; K20-E24 WeakPolarHBondContact CE-OE2 3.21Å; K20-E24 HydrophobicContact CG-CG 4.31Å; K20-E24 IonicContact NZ-OE1 3.45Å; K20-E24 IonicContact NZ-OE2 3.77Å; K20-E24 PolarHBondContact NZ-OE2 2.91Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.13Å |
| 21 | D | 82.9 | Confident | 86 | Confident | 105 Ų | 105 | 79.3 Ų | 79.3 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73 | -31.9 | -165 | -55.2 | -36.9 | 0 | 0 | 0 | 112.6 | Y19 N25 | Y19-D21 PolarHBondContact O-N 3.44Å; D21-N25 PolarHBondContact O-N 3.47Å; D21-N25 PolarHBondContact O-ND2 3.23Å |
| 22 | N | 87.4 | Confident | 86.2 | Confident | 126 Ų | 126 | 81.6 Ų | 81.6 | 67% | 0.674 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70 | -41.1 | 169.7 | -171.7 | 38.4 | 0 | 0 | 0 | 111.4 | K20 N25 A26 | K20-N22 PolarHBondContact O-N 2.75Å; N22-N25 PolarHBondContact O-N 3.06Å; N22-A26 PolarHBondContact O-N 3.33Å |
| 23 | S | 86.3 | Confident | 86.4 | Confident | 7 Ų | 7 | 80.8 Ų | 80.8 | 5% | 0.049 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 179.7 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | Y19 K20 A26 L27 | Y19-S23 VanDerWaalsContact O-CB 3.23Å; Y19-S23 WeakPolarHBondContact O-CB 3.29Å; Y19-S23 PolarHBondContact O-N 3.34Å; Y19-S23 PolarHBondContact O-OG 2.84Å; K20-S23 CarbonylContact O-C 3.43Å; K20-S23 PolarHBondContact O-N 3.48Å; K20-S23 VanDerWaalsContact O-N 3.12Å; S23-A26 PolarHBondContact O-N 2.85Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.16Å |
| 24 | E | 82.6 | Confident | 86.5 | Confident | 53 Ų | 53 | 76.5 Ų | 76.5 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 178.4 | -74.1 | -178.3 | 159.8 | 0 | 0 | 111.9 | A14 K20 Y28 R102 | A14-E24 HydrophobicContact CB-CG 4.02Å; K20-E24 VanDerWaalsContact CE-OE2 3.31Å; K20-E24 WeakPolarHBondContact CE-OE2 3.21Å; K20-E24 HydrophobicContact CG-CG 4.31Å; K20-E24 IonicContact NZ-OE1 3.45Å; K20-E24 IonicContact NZ-OE2 3.77Å; K20-E24 PolarHBondContact NZ-OE2 2.91Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.13Å; E24-Y28 WeakPolarHBondContact O-CB 3.33Å; E24-Y28 PolarHBondContact O-N 2.91Å; E24-R102 IonicContact OE1-NH2 2.72Å; E24-R102 PolarHBondContact OE1-NH2 2.81Å |
| 25 | N | 84.7 | Confident | 86.8 | Confident | 109 Ų | 109 | 77.3 Ų | 77.3 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.2 | -48.3 | 171.3 | -77 | -51.4 | 0 | 0 | 0 | 112.3 | D21 N22 L27 Y28 I29 | D21-N25 PolarHBondContact O-N 3.47Å; D21-N25 PolarHBondContact O-ND2 3.23Å; N22-N25 PolarHBondContact O-N 3.06Å; N25-L27 VanDerWaalsContact C-N 3.34Å; N25-L27 PolarHBondContact O-N 2.81Å; N25-Y28 PolarHBondContact O-N 2.94Å; N25-I29 WeakPolarHBondContact O-CG1 3.45Å; N25-I29 PolarHBondContact O-N 3.09Å |
| 26 | A | 88 | Confident | 87.2 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N22 S23 I29 L30 | N22-A26 PolarHBondContact O-N 3.33Å; S23-A26 PolarHBondContact O-N 2.85Å; A26-I29 PolarHBondContact O-N 2.95Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.34Å |
| 27 | L | 85.1 | Confident | 87.4 | Confident | 24 Ų | 24 | 77 Ų | 77 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.4 | -174.9 | 164 | 0 | 0 | 0 | 110.5 | A14 S23 N25 I29 L30 E31 | A14-L27 HydrophobicContact CB-CD1 4.3Å; S23-L27 WeakPolarHBondContact O-CB 3.35Å; S23-L27 PolarHBondContact O-N 3.16Å; N25-L27 VanDerWaalsContact C-N 3.34Å; N25-L27 PolarHBondContact O-N 2.81Å; L27-I29 PolarHBondContact O-N 3.09Å; L27-L30 CarbonylContact O-C 3.59Å; L27-L30 PolarHBondContact O-N 2.78Å; L27-E31 VanDerWaalsContact O-CB 3.27Å; L27-E31 WeakPolarHBondContact O-CB 3.33Å; L27-E31 PolarHBondContact O-N 3.08Å |
| 28 | Y | 84.2 | Confident | 87.6 | Confident | 114 Ų | 114 | 68.2 Ų | 68.2 | 45% | 0.447 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 177.5 | -179.2 | -100.7 | 0 | 0 | 0 | 112.6 | E24 N25 E31 I32 L84 | E24-Y28 WeakPolarHBondContact O-CB 3.33Å; E24-Y28 PolarHBondContact O-N 2.91Å; N25-Y28 PolarHBondContact O-N 2.94Å; Y28-E31 WeakPolarHBondContact O-CB 3.37Å; Y28-E31 PolarHBondContact O-N 3.23Å; Y28-I32 HydrophobicContact CD1-CD1 4.03Å; Y28-I32 HydrophobicContact CE1-CD1 3.55Å; Y28-I32 HydrophobicContact CE2-CD1 4.49Å; Y28-I32 WeakPolarHBondContact O-CG1 3.22Å; Y28-I32 PolarHBondContact O-N 3.31Å; Y28-L84 HydrophobicContact CD2-CD1 4.29Å; Y28-L84 HydrophobicContact CE2-CD1 3.53Å |
| 29 | I | 88.4 | Confident | 87.8 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 55% | 0.549 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.2 | -65 | 166.4 | 0 | 0 | 0 | 110.6 | N25 A26 L27 E31 I32 V33 | N25-I29 WeakPolarHBondContact O-CG1 3.45Å; N25-I29 PolarHBondContact O-N 3.09Å; A26-I29 PolarHBondContact O-N 2.95Å; L27-I29 PolarHBondContact O-N 3.09Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 2.84Å; I29-I32 PolarHBondContact O-N 3.43Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 2.93Å; I29-V33 VanDerWaalsContact O-N 3.13Å |
| 30 | L | 87.2 | Confident | 88.1 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 177.3 | -73.2 | 179.9 | 0 | 0 | 0 | 112.8 | L10 A26 L27 I32 V33 T34 | L10-L30 HydrophobicContact CD1-CD1 3.39Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.34Å; L27-L30 CarbonylContact O-C 3.59Å; L27-L30 PolarHBondContact O-N 2.78Å; L30-I32 PolarHBondContact O-N 3.28Å; L30-V33 PolarHBondContact O-N 2.97Å; L30-T34 WeakPolarHBondContact O-CB 3.38Å; L30-T34 WeakPolarHBondContact O-CG2 3.48Å; L30-T34 PolarHBondContact O-N 2.88Å |
| 31 | E | 86.2 | Confident | 88.6 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.8 | -50.9 | 176.5 | -166.4 | 80.7 | 177 | 0 | 0 | 109.7 | L27 Y28 I29 T34 I35 Q105 R108 | L27-E31 VanDerWaalsContact O-CB 3.27Å; L27-E31 WeakPolarHBondContact O-CB 3.33Å; L27-E31 PolarHBondContact O-N 3.08Å; Y28-E31 WeakPolarHBondContact O-CB 3.37Å; Y28-E31 PolarHBondContact O-N 3.23Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-E31 PolarHBondContact O-N 2.84Å; E31-T34 PolarHBondContact O-N 3.2Å; E31-T34 PolarHBondContact O-OG1 2.8Å; E31-I35 HydrophobicContact CG-CD1 4.22Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.24Å; E31-I35 PolarHBondContact O-N 3.38Å; E31-Q105 PolarHBondContact OE2-NE2 3.49Å; E31-R108 VanDerWaalsContact CD-NH1 3.27Å; E31-R108 VanDerWaalsContact CD-NH2 3.29Å; E31-R108 IonicContact OE1-CZ 3.03Å; E31-R108 IonicContact OE1-NH1 2.91Å; E31-R108 PolarHBondContact OE1-NH1 3.29Å; E31-R108 IonicContact OE1-NH2 2.67Å; E31-R108 PolarHBondContact OE1-NH2 3.13Å; E31-R108 IonicContact OE2-CZ 3.37Å; E31-R108 IonicContact OE2-NH1 3.18Å; E31-R108 PolarHBondContact OE2-NH1 2.98Å; E31-R108 IonicContact OE2-NH2 3.46Å |
| 32 | I | 88.2 | Confident | 89 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 30% | 0.303 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 175 | -64.9 | 168.9 | 0 | 0 | 0 | 111 | Y28 I29 L30 T34 I35 V36 L84 | Y28-I32 HydrophobicContact CD1-CD1 4.03Å; Y28-I32 HydrophobicContact CE1-CD1 3.55Å; Y28-I32 HydrophobicContact CE2-CD1 4.49Å; Y28-I32 WeakPolarHBondContact O-CG1 3.22Å; Y28-I32 PolarHBondContact O-N 3.31Å; I29-I32 PolarHBondContact O-N 3.43Å; L30-I32 PolarHBondContact O-N 3.28Å; I32-T34 VanDerWaalsContact C-N 3.27Å; I32-T34 PolarHBondContact O-N 3.04Å; I32-I35 PolarHBondContact O-N 3.24Å; I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.8Å; I32-L84 HydrophobicContact CD1-CD1 4.25Å; I32-L84 HydrophobicContact CG1-CD1 3.75Å; I32-L84 HydrophobicContact CG1-CD2 3.92Å |
| 33 | V | 91.7 | Very high | 89.4 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 179 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L3 I29 L30 V37 | L3-V33 HydrophobicContact CD1-CG1 4.27Å; I29-V33 WeakPolarHBondContact O-CG2 3.33Å; I29-V33 PolarHBondContact O-N 2.93Å; I29-V33 VanDerWaalsContact O-N 3.13Å; L30-V33 PolarHBondContact O-N 2.97Å; V33-V37 HydrophobicContact CG1-CG2 4.32Å; V33-V37 WeakPolarHBondContact O-CB 3.33Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 2.99Å |
| 34 | T | 87.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 175.4 | 74.9 | 0 | 0 | 0 | 0 | 111 | L3 C7 L30 E31 I32 V36 V37 F38 | L3-T34 HydrophobicContact CD2-CG2 3.51Å; L3-T34 HydrophobicContact CG-CG2 4.48Å; C7-T34 HydrophobicContact CB-CG2 4.43Å; L30-T34 WeakPolarHBondContact O-CB 3.38Å; L30-T34 WeakPolarHBondContact O-CG2 3.48Å; L30-T34 PolarHBondContact O-N 2.88Å; E31-T34 PolarHBondContact O-N 3.2Å; E31-T34 PolarHBondContact O-OG1 2.8Å; I32-T34 VanDerWaalsContact C-N 3.27Å; I32-T34 PolarHBondContact O-N 3.04Å; T34-V36 VanDerWaalsContact C-N 3.34Å; T34-V36 PolarHBondContact O-N 2.84Å; T34-V37 PolarHBondContact O-N 3.44Å; T34-F38 HydrophobicContact CG2-CE2 4.32Å; T34-F38 WeakPolarHBondContact O-CB 3.22Å; T34-F38 WeakPolarHBondContact O-CD2 3.39Å; T34-F38 WeakPolarHBondContact O-CG 3.18Å; T34-F38 PolarHBondContact O-N 3.13Å |
| 35 | I | 90.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -45.1 | -178.1 | -70.4 | 163.6 | 0 | 0 | 0 | 110.6 | E31 I32 G39 L77 S80 V81 L84 | E31-I35 HydrophobicContact CG-CD1 4.22Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.24Å; E31-I35 PolarHBondContact O-N 3.38Å; I32-I35 PolarHBondContact O-N 3.24Å; I35-G39 PolarHBondContact O-N 2.97Å; I35-L77 HydrophobicContact CG2-CD1 4.34Å; I35-S80 WeakPolarHBondContact CD1-O 3.48Å; I35-V81 HydrophobicContact CG2-CG2 3.65Å; I35-L84 HydrophobicContact CD1-CB 4.27Å; I35-L84 HydrophobicContact CD1-CD2 4.15Å |
| 36 | V | 93.5 | Very high | 90.6 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 53% | 0.527 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -51.2 | 177 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | I32 T34 F38 G39 V40 | I32-V36 WeakPolarHBondContact O-CG2 3.5Å; I32-V36 PolarHBondContact O-N 2.8Å; T34-V36 VanDerWaalsContact C-N 3.34Å; T34-V36 PolarHBondContact O-N 2.84Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.02Å; V36-G39 PolarHBondContact O-N 3.29Å; V36-V40 WeakPolarHBondContact O-CB 3.47Å; V36-V40 WeakPolarHBondContact O-CG2 3.42Å; V36-V40 PolarHBondContact O-N 2.84Å |
| 37 | V | 93.2 | Very high | 90.8 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | -178.7 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | V33 T34 E41 | V33-V37 HydrophobicContact CG1-CG2 4.32Å; V33-V37 WeakPolarHBondContact O-CB 3.33Å; V33-V37 VanDerWaalsContact O-CG2 3.24Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 2.99Å; T34-V37 PolarHBondContact O-N 3.44Å; V37-E41 WeakPolarHBondContact O-CB 3.31Å; V37-E41 PolarHBondContact O-N 2.67Å |
| 38 | F | 90.4 | Very high | 91.2 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80.7 | -30.3 | -178.9 | -63.1 | -55.6 | 0 | 0 | 0 | 113.5 | L3 V4 T34 V36 Y42 R111 | L3-F38 HydrophobicContact CD2-CE2 3.68Å; L3-F38 HydrophobicContact CD2-CZ 3.78Å; V4-F38 HydrophobicContact CG2-CE1 4.46Å; V4-F38 HydrophobicContact CG2-CE2 3.83Å; V4-F38 HydrophobicContact CG2-CZ 3.45Å; V4-F38 VanDerWaalsContact CG2-CZ 3.45Å; T34-F38 HydrophobicContact CG2-CE2 4.32Å; T34-F38 WeakPolarHBondContact O-CB 3.22Å; T34-F38 WeakPolarHBondContact O-CD2 3.39Å; T34-F38 WeakPolarHBondContact O-CG 3.18Å; T34-F38 PolarHBondContact O-N 3.13Å; V36-F38 VanDerWaalsContact C-N 3.34Å; V36-F38 PolarHBondContact O-N 3.02Å; F38-Y42 WeakPolarHBondContact O-CB 3.36Å; F38-Y42 PolarHBondContact O-N 3.26Å; F38-R111 VanDerWaalsContact CZ-NH2 3.33Å |
| 39 | G | 92.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62 | -47.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I35 V36 Y42 I43 | I35-G39 PolarHBondContact O-N 2.97Å; V36-G39 PolarHBondContact O-N 3.29Å; G39-Y42 PolarHBondContact O-N 3.29Å; G39-I43 WeakPolarHBondContact O-CD1 3.25Å; G39-I43 VanDerWaalsContact O-CG1 3.26Å; G39-I43 WeakPolarHBondContact O-CG1 3.48Å; G39-I43 PolarHBondContact O-N 3.48Å |
| 40 | V | 95.4 | Very high | 91.5 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 52% | 0.521 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V36 Y42 I43 V44 | V36-V40 WeakPolarHBondContact O-CB 3.47Å; V36-V40 WeakPolarHBondContact O-CG2 3.42Å; V36-V40 PolarHBondContact O-N 2.84Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.49Å; V40-I43 PolarHBondContact O-N 2.77Å; V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.3Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 2.88Å |
| 41 | E | 93.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.1 | -36.2 | -179.9 | -170.8 | -85.1 | 165.2 | 0 | 0 | 112.3 | V37 R45 R114 | V37-E41 WeakPolarHBondContact O-CB 3.31Å; V37-E41 PolarHBondContact O-N 2.67Å; E41-R45 VanDerWaalsContact CD-NH2 3.32Å; E41-R45 WeakPolarHBondContact O-CB 3.41Å; E41-R45 PolarHBondContact O-N 3.15Å; E41-R45 IonicContact OE1-CZ 2.67Å; E41-R45 IonicContact OE1-NE 2.76Å; E41-R45 PolarHBondContact OE1-NE 2.86Å; E41-R45 IonicContact OE1-NH2 3.13Å; E41-R45 PolarHBondContact OE1-NH2 2.66Å; E41-R45 IonicContact OE2-CZ 3.16Å; E41-R45 VanDerWaalsContact OE2-CZ 3.29Å; E41-R45 IonicContact OE2-NE 2.73Å; E41-R45 PolarHBondContact OE2-NE 3.47Å; E41-R45 IonicContact OE2-NH2 2.71Å; E41-R45 PolarHBondContact OE2-NH2 2.79Å; E41-R114 IonicContact OE1-CZ 3.85Å; E41-R114 IonicContact OE1-NH1 3.98Å; E41-R114 PolarHBondContact OE1-NH1 3.22Å |
| 42 | Y | 92.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 58 Ų | 58 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 173.7 | 179.9 | -96.6 | 0 | 0 | 0 | 112.4 | F38 G39 V40 R45 I46 D73 I74 | F38-Y42 WeakPolarHBondContact O-CB 3.36Å; F38-Y42 PolarHBondContact O-N 3.26Å; G39-Y42 PolarHBondContact O-N 3.29Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.49Å; Y42-R45 PolarHBondContact O-N 3.31Å; Y42-I46 HydrophobicContact CD1-CD1 4.14Å; Y42-I46 HydrophobicContact CE1-CD1 3.45Å; Y42-I46 VanDerWaalsContact CE1-CD1 3.45Å; Y42-I46 HydrophobicContact CE2-CD1 4.06Å; Y42-I46 PolarHBondContact O-N 3.26Å; Y42-I46 WeakPolarHBondContact OH-CD1 3.43Å; Y42-D73 HydrophobicContact CD2-CB 4.32Å; Y42-I74 HydrophobicContact CD1-CD1 4.35Å; Y42-I74 HydrophobicContact CE1-CB 4.3Å; Y42-I74 HydrophobicContact CE1-CD1 3.82Å; Y42-I74 HydrophobicContact CE1-CG1 4.23Å; Y42-I74 HydrophobicContact CE2-CB 3.85Å; Y42-I74 WeakPolarHBondContact OH-CB 3.42Å |
| 43 | I | 94 | Very high | 90.8 | Very high | 114 Ų | 114 | 61 Ų | 61 | 59% | 0.585 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.2 | -49.4 | 177 | -69.1 | 165 | 0 | 0 | 0 | 110.6 | G39 V40 R45 I46 W47 | G39-I43 WeakPolarHBondContact O-CD1 3.25Å; G39-I43 VanDerWaalsContact O-CG1 3.26Å; G39-I43 WeakPolarHBondContact O-CG1 3.48Å; G39-I43 PolarHBondContact O-N 3.48Å; V40-I43 PolarHBondContact O-N 2.77Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.86Å; I43-I46 PolarHBondContact O-N 2.87Å; I43-W47 WeakPolarHBondContact O-CB 3.2Å; I43-W47 PolarHBondContact O-N 3.33Å |
| 44 | V | 94.8 | Very high | 90.3 | Very high | 80 Ų | 80 | 67.7 Ų | 67.7 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V40 W47 A48 | V40-V44 HydrophobicContact CG1-CG2 4.22Å; V40-V44 WeakPolarHBondContact O-CB 3.3Å; V40-V44 VanDerWaalsContact O-CG2 3.3Å; V40-V44 WeakPolarHBondContact O-CG2 3.41Å; V40-V44 PolarHBondContact O-N 2.88Å; V44-W47 PolarHBondContact O-N 2.9Å; V44-A48 WeakPolarHBondContact O-CB 3.22Å; V44-A48 PolarHBondContact O-N 2.84Å |
| 45 | R | 92 | Very high | 90.3 | Very high | 43 Ų | 43 | 69.4 Ų | 69.4 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 178.1 | -167.8 | -160.6 | -59.9 | 165.7 | -6.3 | 112.1 | E41 Y42 I43 A49 F64 D73 | E41-R45 VanDerWaalsContact CD-NH2 3.32Å; E41-R45 WeakPolarHBondContact O-CB 3.41Å; E41-R45 PolarHBondContact O-N 3.15Å; E41-R45 IonicContact OE1-CZ 2.67Å; E41-R45 IonicContact OE1-NE 2.76Å; E41-R45 PolarHBondContact OE1-NE 2.86Å; E41-R45 IonicContact OE1-NH2 3.13Å; E41-R45 PolarHBondContact OE1-NH2 2.66Å; E41-R45 IonicContact OE2-CZ 3.16Å; E41-R45 VanDerWaalsContact OE2-CZ 3.29Å; E41-R45 IonicContact OE2-NE 2.73Å; E41-R45 PolarHBondContact OE2-NE 3.47Å; E41-R45 IonicContact OE2-NH2 2.71Å; E41-R45 PolarHBondContact OE2-NH2 2.79Å; Y42-R45 PolarHBondContact O-N 3.31Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.86Å; R45-A49 WeakPolarHBondContact O-CB 3.24Å; R45-A49 PolarHBondContact O-N 3.39Å; R45-F64 HydrophobicContact CG-CE1 4.39Å; R45-F64 HydrophobicContact CG-CZ 4.44Å; R45-D73 IonicContact CZ-OD2 3.84Å; R45-D73 IonicContact NH1-OD2 3.55Å; R45-D73 PolarHBondContact NH1-OD2 3.43Å; R45-D73 IonicContact NH2-OD2 2.75Å; R45-D73 PolarHBondContact NH2-OD2 2.89Å |
| 46 | I | 92.4 | Very high | 89.9 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 18% | 0.179 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 175.1 | -73.3 | -179.1 | 0 | 0 | 0 | 111.7 | Y42 I43 R61 F64 A65 | Y42-I46 HydrophobicContact CD1-CD1 4.14Å; Y42-I46 HydrophobicContact CE1-CD1 3.45Å; Y42-I46 VanDerWaalsContact CE1-CD1 3.45Å; Y42-I46 HydrophobicContact CE2-CD1 4.06Å; Y42-I46 PolarHBondContact O-N 3.26Å; Y42-I46 WeakPolarHBondContact OH-CD1 3.43Å; I43-I46 PolarHBondContact O-N 2.87Å; I46-R61 HydrophobicContact CG2-CB 4.33Å; I46-R61 HydrophobicContact CG2-CG 4.48Å; I46-R61 PolarHBondContact O-NE 3.23Å; I46-F64 HydrophobicContact CG1-CD1 4.44Å; I46-A65 HydrophobicContact CD1-CB 4.29Å |
| 47 | W | 93.2 | Very high | 89.7 | Confident | 178 Ų | 178 | 76.3 Ų | 76.3 | 67% | 0.674 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.7 | -52 | 176.5 | -177.8 | 91.2 | 0 | 0 | 0 | 111 | I43 V44 A49 G50 R61 | I43-W47 WeakPolarHBondContact O-CB 3.2Å; I43-W47 PolarHBondContact O-N 3.33Å; V44-W47 PolarHBondContact O-N 2.9Å; W47-A49 VanDerWaalsContact C-N 3.32Å; W47-A49 PolarHBondContact O-N 3.3Å; W47-G50 PolarHBondContact O-N 2.78Å; W47-G50 VanDerWaalsContact O-N 3.16Å; W47-R61 PolarHBondContact O-NH2 2.91Å |
| 48 | A | 92.7 | Very high | 89.4 | Confident | 45 Ų | 45 | 83.4 Ų | 83.4 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.4 | -30.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V44 G50 C51 | V44-A48 WeakPolarHBondContact O-CB 3.22Å; V44-A48 PolarHBondContact O-N 2.84Å; A48-G50 PolarHBondContact O-N 3.12Å; A48-C51 WeakPolarHBondContact O-CB 3.45Å; A48-C51 PolarHBondContact O-N 2.96Å; A48-C51 PolarHBondContact O-SG 2.87Å |
| 49 | A | 90.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 92.5 Ų | 92.5 | 8% | 0.083 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -55.4 | -20.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R45 W47 C51 C52 F64 | R45-A49 WeakPolarHBondContact O-CB 3.24Å; R45-A49 PolarHBondContact O-N 3.39Å; W47-A49 VanDerWaalsContact C-N 3.32Å; W47-A49 PolarHBondContact O-N 3.3Å; A49-C51 PolarHBondContact O-N 3.22Å; A49-C52 PolarHBondContact O-N 3.5Å; A49-F64 HydrophobicContact CB-CD1 3.95Å; A49-F64 HydrophobicContact CB-CD2 3.8Å; A49-F64 HydrophobicContact CB-CE1 4.03Å; A49-F64 HydrophobicContact CB-CE2 3.86Å; A49-F64 HydrophobicContact CB-CG 3.85Å; A49-F64 HydrophobicContact CB-CZ 3.98Å |
| 50 | G | 88.7 | Confident | 89.1 | Confident | 26 Ų | 26 | 92.3 Ų | 92.3 | 27% | 0.268 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -65.6 | -9.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | W47 A48 C52 | W47-G50 PolarHBondContact O-N 2.78Å; W47-G50 VanDerWaalsContact O-N 3.16Å; A48-G50 PolarHBondContact O-N 3.12Å; G50-C52 PolarHBondContact O-N 2.89Å |
| 51 | C | 87.6 | Confident | 88.9 | Confident | 111 Ų | 111 | 92 Ų | 92 | 75% | 0.75 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -67.1 | -26.3 | 172.4 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | A48 A49 | A48-C51 WeakPolarHBondContact O-CB 3.45Å; A48-C51 PolarHBondContact O-N 2.96Å; A48-C51 PolarHBondContact O-SG 2.87Å; A49-C51 PolarHBondContact O-N 3.22Å |
| 52 | C | 81.3 | Confident | 88.7 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -83.8 | 125.7 | 176.7 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | A49 G50 R54 Y55 | A49-C52 PolarHBondContact O-N 3.5Å; G50-C52 PolarHBondContact O-N 2.89Å; C52-R54 PolarHBondContact O-N 3.11Å; C52-Y55 HydrophobicContact CB-CD2 3.91Å; C52-Y55 PolarHBondContact O-N 3.24Å |
| 53 | C | 77.8 | Confident | 88.6 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -51.5 | -33.3 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 113.5 | Y55 | C53-Y55 PolarHBondContact O-N 3.44Š|
| 54 | R | 81.8 | Confident | 88.4 | Confident | 205 Ų | 205 | 95.2 Ų | 95.2 | 77% | 0.774 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -65.4 | -16 | 177.2 | -171.2 | 168.4 | -178.9 | 156.3 | -0.9 | 114.7 | C52 | C52-R54 PolarHBondContact O-N 3.11Š|
| 55 | Y | 87 | Confident | 88.2 | Confident | 38 Ų | 38 | 92.3 Ų | 92.3 | 15% | 0.149 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -124.9 | 18 | -176.8 | -56.1 | -57.2 | 0 | 0 | 0 | 113.5 | C52 C53 G60 R61 F64 K67 | C52-Y55 HydrophobicContact CB-CD2 3.91Å; C52-Y55 PolarHBondContact O-N 3.24Å; C53-Y55 PolarHBondContact O-N 3.44Å; Y55-G60 WeakPolarHBondContact CD1-O 3.11Å; Y55-G60 CarbonylContact O-C 3.6Å; Y55-R61 PolarHBondContact O-N 2.92Å; Y55-F64 HydrophobicContact CD1-CB 3.97Å; Y55-F64 AromaticContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CE1-CB 4.28Å; Y55-F64 HydrophobicContact CE1-CD2 4.46Å; Y55-F64 AromaticContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CG-CB 4.2Å; Y55-F64 HydrophobicContact CG-CD2 4.31Å; Y55-K67 WeakPolarHBondContact OH-CE 3.4Å; Y55-K67 PolarHBondContact OH-NZ 3Å |
| 56 | R | 83.4 | Confident | 88.2 | Confident | 205 Ų | 205 | 99.5 Ų | 99.5 | 77% | 0.774 | 47% | 0.473 | S | S | * | . | trans | -65.5 | 141.9 | 176.8 | -167.1 | 169.8 | 177.6 | 161.8 | -1.5 | 111.5 | ||||
| 57 | G | 88.3 | Confident | 88 | Confident | 47 Ų | 47 | 101.5 Ų | 101.5 | 49% | 0.485 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | 74.1 | 173.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | R59 G60 R61 | G57-R59 PolarHBondContact O-N 3.34Å; G57-G60 PolarHBondContact O-N 3.35Å; G57-G60 VanDerWaalsContact O-N 3.14Å; G57-R61 PolarHBondContact O-N 2.99Å |
| 58 | W | 87.4 | Confident | 87.7 | Confident | 212 Ų | 212 | 97.3 Ų | 97.3 | 80% | 0.803 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.7 | -46.6 | -174.9 | -175.3 | -103.3 | 0 | 0 | 0 | 113.2 | G60 R61 L62 | W58-G60 VanDerWaalsContact C-N 3.26Å; W58-G60 PolarHBondContact O-N 2.79Å; W58-R61 PolarHBondContact O-N 3.12Å; W58-L62 PolarHBondContact O-N 2.79Å |
| 59 | R | 87.4 | Confident | 87.3 | Confident | 228 Ų | 228 | 98.4 Ų | 98.4 | 86% | 0.86 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.5 | -35.5 | 176 | -65.6 | -173.6 | 179 | -156.5 | -0.2 | 112.1 | G57 K63 | G57-R59 PolarHBondContact O-N 3.34Å; R59-K63 WeakPolarHBondContact O-CB 3.28Å; R59-K63 PolarHBondContact O-N 3.47Å |
| 60 | G | 89.3 | Confident | 87.3 | Confident | 10 Ų | 10 | 98.2 Ų | 98.2 | 10% | 0.103 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.7 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y55 G57 W58 K63 F64 | Y55-G60 WeakPolarHBondContact CD1-O 3.11Å; Y55-G60 CarbonylContact O-C 3.6Å; G57-G60 PolarHBondContact O-N 3.35Å; G57-G60 VanDerWaalsContact O-N 3.14Å; W58-G60 VanDerWaalsContact C-N 3.26Å; W58-G60 PolarHBondContact O-N 2.79Å; G60-K63 PolarHBondContact O-N 3Å; G60-F64 PolarHBondContact O-N 2.77Å |
| 61 | R | 90.8 | Very high | 87.3 | Confident | 78 Ų | 78 | 100.4 Ų | 100.4 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 175 | -74.7 | -178.1 | 168.5 | 164.7 | -0.7 | 112.5 | I46 W47 Y55 G57 W58 K63 F64 A65 | I46-R61 HydrophobicContact CG2-CB 4.33Å; I46-R61 HydrophobicContact CG2-CG 4.48Å; I46-R61 PolarHBondContact O-NE 3.23Å; W47-R61 PolarHBondContact O-NH2 2.91Å; Y55-R61 PolarHBondContact O-N 2.92Å; G57-R61 PolarHBondContact O-N 2.99Å; W58-R61 PolarHBondContact O-N 3.12Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-K63 PolarHBondContact O-N 3.12Å; R61-F64 WeakPolarHBondContact O-CB 3.35Å; R61-F64 PolarHBondContact O-N 3.16Å; R61-F64 VanDerWaalsContact O-N 3.09Å; R61-A65 PolarHBondContact O-N 2.78Å |
| 62 | L | 89.4 | Confident | 87.3 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 44% | 0.44 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 174.5 | -174.4 | 61.3 | 0 | 0 | 0 | 112.3 | W58 F64 A65 R66 | W58-L62 PolarHBondContact O-N 2.79Å; L62-F64 PolarHBondContact O-N 3.35Å; L62-A65 PolarHBondContact O-N 3.17Å; L62-R66 PolarHBondContact O-N 3.25Å; L62-R66 VanDerWaalsContact O-N 3.09Å |
| 63 | K | 90.4 | Very high | 87.7 | Confident | 149 Ų | 149 | 94.6 Ų | 94.6 | 65% | 0.648 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.3 | -21.3 | 173.2 | -166.8 | 166.2 | -173.1 | 168.3 | 0 | 113.1 | R59 G60 R61 | R59-K63 WeakPolarHBondContact O-CB 3.28Å; R59-K63 PolarHBondContact O-N 3.47Å; G60-K63 PolarHBondContact O-N 3Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-K63 PolarHBondContact O-N 3.12Å |
| 64 | F | 90.7 | Very high | 88.3 | Confident | 33 Ų | 33 | 91 Ų | 91 | 15% | 0.145 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -79.2 | -42.8 | 168.4 | -177.3 | -88.1 | 0 | 0 | 0 | 111.9 | R45 I46 A49 Y55 G60 R61 L62 R66 K67 | R45-F64 HydrophobicContact CG-CE1 4.39Å; R45-F64 HydrophobicContact CG-CZ 4.44Å; I46-F64 HydrophobicContact CG1-CD1 4.44Å; A49-F64 HydrophobicContact CB-CD1 3.95Å; A49-F64 HydrophobicContact CB-CD2 3.8Å; A49-F64 HydrophobicContact CB-CE1 4.03Å; A49-F64 HydrophobicContact CB-CE2 3.86Å; A49-F64 HydrophobicContact CB-CG 3.85Å; A49-F64 HydrophobicContact CB-CZ 3.98Å; Y55-F64 HydrophobicContact CD1-CB 3.97Å; Y55-F64 AromaticContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CD2-CD2 3.95Å; Y55-F64 HydrophobicContact CE1-CB 4.28Å; Y55-F64 HydrophobicContact CE1-CD2 4.46Å; Y55-F64 AromaticContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CE2-CD2 3.86Å; Y55-F64 HydrophobicContact CG-CB 4.2Å; Y55-F64 HydrophobicContact CG-CD2 4.31Å; G60-F64 PolarHBondContact O-N 2.77Å; R61-F64 WeakPolarHBondContact O-CB 3.35Å; R61-F64 PolarHBondContact O-N 3.16Å; R61-F64 VanDerWaalsContact O-N 3.09Å; L62-F64 PolarHBondContact O-N 3.35Å; F64-R66 VanDerWaalsContact C-N 3.29Å; F64-R66 PolarHBondContact O-N 3.09Å; F64-K67 HydrophobicContact CD2-CD 4.39Å; F64-K67 WeakPolarHBondContact O-CB 3.39Å; F64-K67 WeakPolarHBondContact O-CG 3.27Å; F64-K67 PolarHBondContact O-N 2.8Å |
| 65 | A | 90.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 86.2 Ų | 86.2 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.5 | -31.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I46 R61 L62 K67 C70 | I46-A65 HydrophobicContact CD1-CB 4.29Å; R61-A65 PolarHBondContact O-N 2.78Å; L62-A65 PolarHBondContact O-N 3.17Å; A65-K67 PolarHBondContact O-N 3.35Å; A65-C70 WeakPolarHBondContact O-CB 3.3Å |
| 66 | R | 91.8 | Very high | 88.5 | Confident | 194 Ų | 194 | 84.7 Ų | 84.7 | 73% | 0.732 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 2.3 | 176.1 | -75 | -175.8 | 173.5 | -177.4 | -2.7 | 115.7 | L62 F64 | L62-R66 PolarHBondContact O-N 3.25Å; L62-R66 VanDerWaalsContact O-N 3.09Å; F64-R66 VanDerWaalsContact C-N 3.29Å; F64-R66 PolarHBondContact O-N 3.09Å |
| 67 | K | 89.6 | Confident | 88.8 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -70 | 141.2 | 173.2 | -71 | 178.1 | 178.5 | 179.6 | 0 | 110.6 | Y55 F64 A65 F69 C70 V71 | Y55-K67 WeakPolarHBondContact OH-CE 3.4Å; Y55-K67 PolarHBondContact OH-NZ 3Å; F64-K67 HydrophobicContact CD2-CD 4.39Å; F64-K67 WeakPolarHBondContact O-CB 3.39Å; F64-K67 WeakPolarHBondContact O-CG 3.27Å; F64-K67 PolarHBondContact O-N 2.8Å; A65-K67 PolarHBondContact O-N 3.35Å; K67-F69 PolarHBondContact O-N 2.89Å; K67-C70 HydrophobicContact CB-CB 4.21Å; K67-C70 WeakPolarHBondContact O-CA 3.32Å; K67-C70 VanDerWaalsContact O-CB 3.32Å; K67-C70 WeakPolarHBondContact O-CB 3.27Å; K67-C70 PolarHBondContact O-N 3.42Å; K67-V71 PolarHBondContact O-N 3.38Å |
| 68 | P | 86.8 | Confident | 88.8 | Confident | 90 Ų | 90 | 78.6 Ų | 78.6 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -55.9 | -46.5 | -173 | 19.5 | -32.2 | 0 | 0 | 0 | 113.4 | C70 V71 I72 | P68-C70 PolarHBondContact O-N 2.86Å; P68-V71 PolarHBondContact O-N 3.47Å; P68-I72 VanDerWaalsContact O-CG1 3.31Å; P68-I72 WeakPolarHBondContact O-CG1 3.34Å; P68-I72 PolarHBondContact O-N 3.45Å |
| 69 | F | 84.6 | Confident | 88.7 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.5 | -28.5 | 175.3 | -64.6 | -75.8 | 0 | 0 | 0 | 114.2 | K67 D73 D113 | K67-F69 PolarHBondContact O-N 2.89Å; F69-D73 PolarHBondContact O-N 3.29Å; F69-D113 WeakPolarHBondContact CE1-O 3.39Å |
| 70 | C | 88.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.6 | -38.7 | 177.5 | -151.3 | 0 | 0 | 0 | 0 | 110.9 | A65 K67 P68 D73 I74 | A65-C70 WeakPolarHBondContact O-CB 3.3Å; K67-C70 HydrophobicContact CB-CB 4.21Å; K67-C70 WeakPolarHBondContact O-CA 3.32Å; K67-C70 VanDerWaalsContact O-CB 3.32Å; K67-C70 WeakPolarHBondContact O-CB 3.27Å; K67-C70 PolarHBondContact O-N 3.42Å; P68-C70 PolarHBondContact O-N 2.86Å; C70-D73 PolarHBondContact O-N 2.89Å; C70-I74 WeakPolarHBondContact O-CG2 3.34Å; C70-I74 PolarHBondContact O-N 2.87Å; C70-I74 VanDerWaalsContact O-N 3.11Å |
| 71 | V | 89.8 | Confident | 88.4 | Confident | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.436 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 171.1 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | K67 P68 I74 M75 | K67-V71 PolarHBondContact O-N 3.38Å; P68-V71 PolarHBondContact O-N 3.47Å; V71-I74 VanDerWaalsContact O-CG2 3.27Å; V71-I74 WeakPolarHBondContact O-CG2 3.39Å; V71-M75 VanDerWaalsContact O-CB 3.24Å; V71-M75 WeakPolarHBondContact O-CB 3.38Å; V71-M75 PolarHBondContact O-N 2.8Å |
| 72 | I | 88.1 | Confident | 88 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.4 | -69.3 | 163.6 | 0 | 0 | 0 | 110.9 | P68 I74 M75 V76 L110 | P68-I72 VanDerWaalsContact O-CG1 3.31Å; P68-I72 WeakPolarHBondContact O-CG1 3.34Å; P68-I72 PolarHBondContact O-N 3.45Å; I72-I74 PolarHBondContact O-N 3.17Å; I72-M75 PolarHBondContact O-N 3.4Å; I72-V76 HydrophobicContact CG2-CG2 4.38Å; I72-V76 WeakPolarHBondContact O-CB 3.13Å; I72-V76 VanDerWaalsContact O-CG2 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 2.99Å; I72-L110 HydrophobicContact CD1-CD2 4.45Å; I72-L110 HydrophobicContact CG2-CD2 4.44Å |
| 73 | D | 88.7 | Confident | 87.5 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | -178.5 | -140.4 | -4.7 | 0 | 0 | 0 | 111.9 | Y42 R45 F69 C70 L77 R111 | Y42-D73 HydrophobicContact CD2-CB 4.32Å; R45-D73 IonicContact CZ-OD2 3.84Å; R45-D73 IonicContact NH1-OD2 3.55Å; R45-D73 PolarHBondContact NH1-OD2 3.43Å; R45-D73 IonicContact NH2-OD2 2.75Å; R45-D73 PolarHBondContact NH2-OD2 2.89Å; F69-D73 PolarHBondContact O-N 3.29Å; C70-D73 PolarHBondContact O-N 2.89Å; D73-L77 VanDerWaalsContact O-CB 3.31Å; D73-L77 WeakPolarHBondContact O-CB 3.4Å; D73-L77 PolarHBondContact O-N 2.68Å; D73-R111 WeakPolarHBondContact OD1-CD 3.35Å; D73-R111 IonicContact OD1-CZ 3.32Å; D73-R111 IonicContact OD1-NE 2.68Å; D73-R111 IonicContact OD1-NH1 2.69Å; D73-R111 PolarHBondContact OD1-NH1 3.46Å |
| 74 | I | 90 | Very high | 87 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.9 | -35.2 | 176 | -169.5 | 55.3 | 0 | 0 | 0 | 112.8 | Y42 C70 V71 I72 L77 I78 | Y42-I74 HydrophobicContact CD1-CD1 4.35Å; Y42-I74 HydrophobicContact CE1-CB 4.3Å; Y42-I74 HydrophobicContact CE1-CD1 3.82Å; Y42-I74 HydrophobicContact CE1-CG1 4.23Å; Y42-I74 HydrophobicContact CE2-CB 3.85Å; Y42-I74 WeakPolarHBondContact OH-CB 3.42Å; C70-I74 WeakPolarHBondContact O-CG2 3.34Å; C70-I74 PolarHBondContact O-N 2.87Å; C70-I74 VanDerWaalsContact O-N 3.11Å; V71-I74 VanDerWaalsContact O-CG2 3.27Å; V71-I74 WeakPolarHBondContact O-CG2 3.39Å; I72-I74 PolarHBondContact O-N 3.17Å; I74-L77 HydrophobicContact CD1-CB 4.4Å; I74-L77 HydrophobicContact CD1-CD2 4.02Å; I74-L77 PolarHBondContact O-N 2.91Å; I74-I78 HydrophobicContact CD1-CD1 4.19Å; I74-I78 HydrophobicContact CD1-CG1 4.11Å; I74-I78 HydrophobicContact CG1-CD1 3.86Å; I74-I78 HydrophobicContact CG1-CG1 4.27Å; I74-I78 WeakPolarHBondContact O-CB 3.5Å; I74-I78 VanDerWaalsContact O-CG1 3.27Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.39Å |
| 75 | M | 87.6 | Confident | 86.5 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 173.4 | -174.8 | -170.6 | 79.6 | 0 | 0 | 110.8 | V71 I72 A79 L107 | V71-M75 VanDerWaalsContact O-CB 3.24Å; V71-M75 WeakPolarHBondContact O-CB 3.38Å; V71-M75 PolarHBondContact O-N 2.8Å; I72-M75 PolarHBondContact O-N 3.4Å; M75-A79 VanDerWaalsContact O-CB 3.28Å; M75-A79 WeakPolarHBondContact O-CB 3.37Å; M75-A79 PolarHBondContact O-N 2.98Å; M75-L107 HydrophobicContact CE-CD1 4.35Å |
| 76 | V | 86.5 | Confident | 85.8 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | I72 S80 L107 R108 | I72-V76 HydrophobicContact CG2-CG2 4.38Å; I72-V76 WeakPolarHBondContact O-CB 3.13Å; I72-V76 VanDerWaalsContact O-CG2 3.29Å; I72-V76 WeakPolarHBondContact O-CG2 3.48Å; I72-V76 PolarHBondContact O-N 2.99Å; V76-S80 WeakPolarHBondContact O-CB 3.45Å; V76-S80 PolarHBondContact O-N 3.17Å; V76-S80 PolarHBondContact O-OG 3.34Å; V76-L107 HydrophobicContact CG2-CB 3.74Å; V76-L107 HydrophobicContact CG2-CD1 4.45Å; V76-R108 HydrophobicContact CG1-CB 4.49Å; V76-R108 HydrophobicContact CG1-CG 3.51Å |
| 77 | L | 88.6 | Confident | 84.6 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -49.2 | 175.3 | -175.1 | 67.8 | 0 | 0 | 0 | 111.8 | I35 D73 I74 A79 S80 V81 | I35-L77 HydrophobicContact CG2-CD1 4.34Å; D73-L77 VanDerWaalsContact O-CB 3.31Å; D73-L77 WeakPolarHBondContact O-CB 3.4Å; D73-L77 PolarHBondContact O-N 2.68Å; I74-L77 HydrophobicContact CD1-CB 4.4Å; I74-L77 HydrophobicContact CD1-CD2 4.02Å; I74-L77 PolarHBondContact O-N 2.91Å; L77-A79 PolarHBondContact O-N 3.26Å; L77-S80 WeakPolarHBondContact O-CB 3.12Å; L77-S80 PolarHBondContact O-N 2.97Å; L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.95Å |
| 78 | I | 89.1 | Confident | 83.6 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -49.1 | 177.2 | -71.4 | 167.5 | 0 | 0 | 0 | 110.2 | I74 S80 V81 S82 | I74-I78 HydrophobicContact CD1-CD1 4.19Å; I74-I78 HydrophobicContact CD1-CG1 4.11Å; I74-I78 HydrophobicContact CG1-CD1 3.86Å; I74-I78 HydrophobicContact CG1-CG1 4.27Å; I74-I78 WeakPolarHBondContact O-CB 3.5Å; I74-I78 VanDerWaalsContact O-CG1 3.27Å; I74-I78 WeakPolarHBondContact O-CG1 3.39Å; I74-I78 PolarHBondContact O-N 3.39Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.49Å; I78-V81 PolarHBondContact O-N 3.49Å; I78-V81 VanDerWaalsContact O-N 3.1Å; I78-S82 PolarHBondContact O-N 3.44Å; I78-S82 PolarHBondContact O-OG 3.41Å |
| 79 | A | 84.6 | Confident | 82.5 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M75 L77 V81 V83 L104 | M75-A79 VanDerWaalsContact O-CB 3.28Å; M75-A79 WeakPolarHBondContact O-CB 3.37Å; M75-A79 PolarHBondContact O-N 2.98Å; L77-A79 PolarHBondContact O-N 3.26Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 3.19Å; A79-V83 VanDerWaalsContact O-CB 3.3Å; A79-V83 WeakPolarHBondContact O-CB 3.18Å; A79-V83 WeakPolarHBondContact O-CG2 3.44Å; A79-V83 PolarHBondContact O-N 3.2Å; A79-L104 HydrophobicContact CB-CD1 3.97Å |
| 80 | S | 83.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 177.9 | -53.9 | 0 | 0 | 0 | 0 | 113.4 | I35 V76 L77 I78 V83 L84 R108 | I35-S80 WeakPolarHBondContact CD1-O 3.48Å; V76-S80 WeakPolarHBondContact O-CB 3.45Å; V76-S80 PolarHBondContact O-N 3.17Å; V76-S80 PolarHBondContact O-OG 3.34Å; L77-S80 WeakPolarHBondContact O-CB 3.12Å; L77-S80 PolarHBondContact O-N 2.97Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.49Å; S80-V83 WeakPolarHBondContact O-CB 3.35Å; S80-L84 PolarHBondContact O-N 2.99Å; S80-R108 VanDerWaalsContact CB-NH2 3.32Å; S80-R108 PolarHBondContact OG-NE 2.8Å; S80-R108 PolarHBondContact OG-NH2 2.89Å |
| 81 | V | 87 | Confident | 79.7 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.8 | -47.3 | 179.3 | 170.3 | 0 | 0 | 0 | 0 | 112 | I35 L77 I78 A79 V83 L84 A85 | I35-V81 HydrophobicContact CG2-CG2 3.65Å; L77-V81 WeakPolarHBondContact O-CG2 3.1Å; L77-V81 PolarHBondContact O-N 2.95Å; I78-V81 PolarHBondContact O-N 3.49Å; I78-V81 VanDerWaalsContact O-N 3.1Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 3.19Å; V81-V83 PolarHBondContact O-N 3.19Å; V81-V83 VanDerWaalsContact O-N 3.09Å; V81-L84 PolarHBondContact O-N 3.13Å; V81-A85 PolarHBondContact O-N 2.9Å; V81-A85 VanDerWaalsContact O-N 3.09Å |
| 82 | S | 83 | Confident | 78.1 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.8 | -31.2 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | I78 A86 | I78-S82 PolarHBondContact O-N 3.44Å; I78-S82 PolarHBondContact O-OG 3.41Å; S82-A86 WeakPolarHBondContact O-CB 3.29Å; S82-A86 PolarHBondContact O-N 3.08Å |
| 83 | V | 78.8 | Confident | 76.4 | Confident | 31 Ų | 31 | 66.3 Ų | 66.3 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.1 | -48.7 | -179.9 | 153.6 | 0 | 0 | 0 | 0 | 113 | A79 S80 V81 A85 A86 G87 L101 | A79-V83 VanDerWaalsContact O-CB 3.3Å; A79-V83 WeakPolarHBondContact O-CB 3.18Å; A79-V83 WeakPolarHBondContact O-CG2 3.44Å; A79-V83 PolarHBondContact O-N 3.2Å; S80-V83 WeakPolarHBondContact O-CB 3.35Å; V81-V83 PolarHBondContact O-N 3.19Å; V81-V83 VanDerWaalsContact O-N 3.09Å; V83-A85 PolarHBondContact O-N 2.95Å; V83-A86 PolarHBondContact O-N 3.31Å; V83-G87 PolarHBondContact O-N 3.44Å; V83-L101 HydrophobicContact CB-CD1 4.06Å; V83-L101 HydrophobicContact CB-CD2 3.96Å; V83-L101 HydrophobicContact CG1-CD1 3.29Å; V83-L101 HydrophobicContact CG1-CD2 3.76Å; V83-L101 HydrophobicContact CG1-CG 4.09Å; V83-L101 HydrophobicContact CG2-CD1 3.78Å; V83-L101 HydrophobicContact CG2-CD2 3.11Å; V83-L101 HydrophobicContact CG2-CG 4.01Å |
| 84 | L | 79.2 | Confident | 74.6 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 176.8 | -173.8 | 67.6 | 0 | 0 | 0 | 110.2 | Y28 I32 I35 S80 V81 S88 | Y28-L84 HydrophobicContact CD2-CD1 4.29Å; Y28-L84 HydrophobicContact CE2-CD1 3.53Å; I32-L84 HydrophobicContact CD1-CD1 4.25Å; I32-L84 HydrophobicContact CG1-CD1 3.75Å; I32-L84 HydrophobicContact CG1-CD2 3.92Å; I35-L84 HydrophobicContact CD1-CB 4.27Å; I35-L84 HydrophobicContact CD1-CD2 4.15Å; S80-L84 PolarHBondContact O-N 2.99Å; V81-L84 PolarHBondContact O-N 3.13Å; L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 3.4Å |
| 85 | A | 79.8 | Confident | 73 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 50% | 0.504 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V81 V83 | V81-A85 PolarHBondContact O-N 2.9Å; V81-A85 VanDerWaalsContact O-N 3.09Å; V83-A85 PolarHBondContact O-N 2.95Å |
| 86 | A | 75.2 | Confident | 71.7 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S82 V83 S88 Q89 | S82-A86 WeakPolarHBondContact O-CB 3.29Å; S82-A86 PolarHBondContact O-N 3.08Å; V83-A86 PolarHBondContact O-N 3.31Å; A86-S88 VanDerWaalsContact C-N 3.35Å; A86-Q89 PolarHBondContact O-N 3.01Å |
| 87 | G | 67.9 | Low | 70.2 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 35% | 0.351 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V83 Q89 G90 | V83-G87 PolarHBondContact O-N 3.44Å; G87-Q89 PolarHBondContact O-N 3.49Å; G87-G90 PolarHBondContact O-N 3.46Å |
| 88 | S | 67.9 | Low | 68.9 | Low | 90 Ų | 90 | 71.7 Ų | 71.7 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.1 | -23.4 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 114 | L84 A86 G90 | L84-S88 WeakPolarHBondContact O-CB 3.45Å; L84-S88 PolarHBondContact O-N 3.4Å; A86-S88 VanDerWaalsContact C-N 3.35Å; S88-G90 VanDerWaalsContact C-N 3.28Å; S88-G90 PolarHBondContact O-N 3.13Å |
| 89 | Q | 64.2 | Low | 67.7 | Low | 158 Ų | 158 | 75.2 Ų | 75.2 | 74% | 0.738 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.2 | 179.8 | -72.6 | -78.9 | -46.1 | 0 | 0 | 114.1 | A86 G87 N91 | A86-Q89 PolarHBondContact O-N 3.01Å; G87-Q89 PolarHBondContact O-N 3.49Å; Q89-N91 PolarHBondContact O-N 2.97Å |
| 90 | G | 58.2 | Low | 66.6 | Low | 67 Ų | 67 | 77.8 Ų | 77.8 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | trans | 63.6 | 1.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | G87 S88 | G87-G90 PolarHBondContact O-N 3.46Å; S88-G90 VanDerWaalsContact C-N 3.28Å; S88-G90 PolarHBondContact O-N 3.13Å | ||
| 91 | N | 55.4 | Low | 65.6 | Low | 102 Ų | 102 | 78.7 Ų | 78.7 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -68.4 | 144.6 | -173.4 | -165.7 | -7.9 | 0 | 0 | 0 | 111.3 | Q89 F93 A94 | Q89-N91 PolarHBondContact O-N 2.97Å; N91-F93 PolarHBondContact O-N 3.17Å; N91-A94 WeakPolarHBondContact O-CB 3.46Å; N91-A94 PolarHBondContact O-N 3.01Å | ||
| 92 | V | 57.1 | Low | 64.6 | Low | 118 Ų | 118 | 77.8 Ų | 77.8 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.7 | -164.1 | -162.2 | 0 | 0 | 0 | 0 | 113.3 | A94 T95 | V92-A94 PolarHBondContact O-N 3.17Å; V92-A94 VanDerWaalsContact O-N 3.16Å; V92-T95 PolarHBondContact O-N 3.3Å; V92-T95 PolarHBondContact O-OG1 2.89Å |
| 93 | F | 51.4 | Low | 63.9 | Low | 169 Ų | 169 | 80.9 Ų | 80.9 | 74% | 0.741 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.7 | 173 | -77 | -87.5 | 0 | 0 | 0 | 114.5 | N91 T95 S96 A97 | N91-F93 PolarHBondContact O-N 3.17Å; F93-T95 VanDerWaalsContact C-N 3.26Å; F93-T95 PolarHBondContact O-N 3.42Å; F93-S96 PolarHBondContact O-N 3.33Å; F93-S96 VanDerWaalsContact O-N 3.08Å; F93-A97 PolarHBondContact O-N 3.4Å |
| 94 | A | 52.2 | Low | 63.4 | Low | 17 Ų | 17 | 81.7 Ų | 81.7 | 14% | 0.14 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -57.4 | -37.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N91 V92 S96 A97 I98 | N91-A94 WeakPolarHBondContact O-CB 3.46Å; N91-A94 PolarHBondContact O-N 3.01Å; V92-A94 PolarHBondContact O-N 3.17Å; V92-A94 VanDerWaalsContact O-N 3.16Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 2.97Å; A94-A97 PolarHBondContact O-N 3.4Å; A94-I98 HydrophobicContact CB-CD1 4.45Å; A94-I98 WeakPolarHBondContact O-CB 3.34Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.49Å; A94-I98 PolarHBondContact O-N 2.93Å |
| 95 | T | 56.6 | Low | 62.9 | Low | 101 Ų | 101 | 79.9 Ų | 79.9 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -64.2 | -29.6 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | V92 F93 | V92-T95 PolarHBondContact O-N 3.3Å; V92-T95 PolarHBondContact O-OG1 2.89Å; F93-T95 VanDerWaalsContact C-N 3.26Å; F93-T95 PolarHBondContact O-N 3.42Å |
| 96 | S | 58.3 | Low | 62.8 | Low | 65 Ų | 65 | 81.5 Ų | 81.5 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -78.6 | -45.8 | 173.2 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | F93 A94 I98 R99 S100 | F93-S96 PolarHBondContact O-N 3.33Å; F93-S96 VanDerWaalsContact O-N 3.08Å; A94-S96 VanDerWaalsContact C-N 3.26Å; A94-S96 PolarHBondContact O-N 2.97Å; S96-I98 PolarHBondContact O-N 3.31Å; S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.4Å; S96-S100 PolarHBondContact O-N 3.16Å |
| 97 | A | 56.4 | Low | 62.6 | Low | 43 Ų | 43 | 81.1 Ų | 81.1 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.1 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F93 A94 R99 S100 L101 | F93-A97 PolarHBondContact O-N 3.4Å; A94-A97 PolarHBondContact O-N 3.4Å; A97-R99 PolarHBondContact O-N 2.98Å; A97-R99 VanDerWaalsContact O-N 3.12Å; A97-S100 PolarHBondContact O-N 2.81Å; A97-L101 HydrophobicContact CB-CD1 4.36Å; A97-L101 WeakPolarHBondContact O-CB 3.29Å; A97-L101 VanDerWaalsContact O-CD1 3.3Å; A97-L101 WeakPolarHBondContact O-CD1 3.34Å; A97-L101 WeakPolarHBondContact O-CG 3.32Å; A97-L101 PolarHBondContact O-N 3.38Å |
| 98 | I | 61.3 | Low | 62.9 | Low | 77 Ų | 77 | 79.9 Ų | 79.9 | 40% | 0.395 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55 | -31.5 | 179.4 | -72.5 | 163.6 | 0 | 0 | 0 | 112.3 | A94 S96 | A94-I98 HydrophobicContact CB-CD1 4.45Å; A94-I98 WeakPolarHBondContact O-CB 3.34Å; A94-I98 WeakPolarHBondContact O-CD1 3.42Å; A94-I98 WeakPolarHBondContact O-CG1 3.49Å; A94-I98 PolarHBondContact O-N 2.93Å; S96-I98 PolarHBondContact O-N 3.31Å |
| 99 | R | 62.7 | Low | 63.3 | Low | 171 Ų | 171 | 80 Ų | 80 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.9 | -51 | 173.9 | -172.3 | -179.3 | -67.5 | 99.5 | -0.7 | 111.7 | S96 A97 L101 R102 | S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.4Å; A97-R99 PolarHBondContact O-N 2.98Å; A97-R99 VanDerWaalsContact O-N 3.12Å; R99-L101 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact O-N 3.15Å; R99-R102 PolarHBondContact O-N 3.25Å |
| 100 | S | 63 | Low | 63.7 | Low | 81 Ų | 81 | 76.4 Ų | 76.4 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.9 | -22 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | S96 A97 F103 | S96-S100 PolarHBondContact O-N 3.16Å; A97-S100 PolarHBondContact O-N 2.81Å; S100-F103 VanDerWaalsContact O-CB 3.29Å; S100-F103 WeakPolarHBondContact O-CB 3.35Å; S100-F103 PolarHBondContact O-N 2.85Å |
| 101 | L | 61.3 | Low | 64.4 | Low | 24 Ų | 24 | 74.5 Ų | 74.5 | 13% | 0.126 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -77.7 | -21 | -175.3 | -76.5 | 163.6 | 0 | 0 | 0 | 116 | V83 A97 R99 F103 L104 Q105 | V83-L101 HydrophobicContact CB-CD1 4.06Å; V83-L101 HydrophobicContact CB-CD2 3.96Å; V83-L101 HydrophobicContact CG1-CD1 3.29Å; V83-L101 HydrophobicContact CG1-CD2 3.76Å; V83-L101 HydrophobicContact CG1-CG 4.09Å; V83-L101 HydrophobicContact CG2-CD1 3.78Å; V83-L101 HydrophobicContact CG2-CD2 3.11Å; V83-L101 HydrophobicContact CG2-CG 4.01Å; A97-L101 HydrophobicContact CB-CD1 4.36Å; A97-L101 WeakPolarHBondContact O-CB 3.29Å; A97-L101 VanDerWaalsContact O-CD1 3.3Å; A97-L101 WeakPolarHBondContact O-CD1 3.34Å; A97-L101 WeakPolarHBondContact O-CG 3.32Å; A97-L101 PolarHBondContact O-N 3.38Å; R99-L101 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact O-N 3.15Å; L101-F103 PolarHBondContact O-N 2.8Å; L101-L104 HydrophobicContact CD2-CB 4.4Å; L101-L104 HydrophobicContact CD2-CD1 3.45Å; L101-L104 VanDerWaalsContact CD2-CD1 3.45Å; L101-L104 HydrophobicContact CD2-CG 4.24Å; L101-L104 PolarHBondContact O-N 3.23Å; L101-Q105 PolarHBondContact O-N 3.4Å |
| 102 | R | 66.7 | Low | 65.1 | Low | 51 Ų | 51 | 74.6 Ų | 74.6 | 19% | 0.192 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.4 | -25.9 | 171.4 | -53.3 | -172.5 | -173.5 | -171.2 | -0.7 | 111 | S11 A14 T15 E24 R99 | S11-R102 WeakPolarHBondContact OG-CB 3.41Å; S11-R102 WeakPolarHBondContact OG-CG 3.39Å; A14-R102 PolarHBondContact O-NH1 2.87Å; A14-R102 PolarHBondContact O-NH2 2.94Å; T15-R102 VanDerWaalsContact CG2-NH1 3.31Å; T15-R102 VanDerWaalsContact N-NH1 3.19Å; E24-R102 IonicContact OE1-NH2 2.72Å; E24-R102 PolarHBondContact OE1-NH2 2.81Å; R99-R102 PolarHBondContact O-N 3.25Å |
| 103 | F | 67.6 | Low | 65.8 | Low | 139 Ų | 139 | 70.3 Ų | 70.3 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.3 | -39.4 | 171.5 | -167.8 | -102.8 | 0 | 0 | 0 | 113.5 | S100 L101 Q105 I106 | S100-F103 VanDerWaalsContact O-CB 3.29Å; S100-F103 WeakPolarHBondContact O-CB 3.35Å; S100-F103 PolarHBondContact O-N 2.85Å; L101-F103 PolarHBondContact O-N 2.8Å; F103-Q105 PolarHBondContact O-N 3.14Å; F103-I106 HydrophobicContact CD2-CD1 4.23Å; F103-I106 WeakPolarHBondContact O-CB 3.4Å; F103-I106 PolarHBondContact O-N 2.88Å |
| 104 | L | 68.3 | Low | 66.6 | Low | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.4 | -21.8 | 177.8 | -66 | 179.4 | 0 | 0 | 0 | 112.6 | A79 L101 I106 L107 R108 | A79-L104 HydrophobicContact CB-CD1 3.97Å; L101-L104 HydrophobicContact CD2-CB 4.4Å; L101-L104 HydrophobicContact CD2-CD1 3.45Å; L101-L104 VanDerWaalsContact CD2-CD1 3.45Å; L101-L104 HydrophobicContact CD2-CG 4.24Å; L101-L104 PolarHBondContact O-N 3.23Å; L104-I106 VanDerWaalsContact C-N 3.32Å; L104-L107 HydrophobicContact CD2-CD1 3.66Å; L104-L107 PolarHBondContact O-N 3Å; L104-R108 PolarHBondContact O-N 3.43Å |
| 105 | Q | 69.8 | Low | 67.5 | Low | 7 Ų | 7 | 79.3 Ų | 79.3 | 3% | 0.033 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.6 | -29.1 | 170.3 | -67 | 170.1 | -27.7 | 0 | 0 | 112.3 | S11 E31 L101 F103 R108 | S11-Q105 PolarHBondContact OG-OE1 2.89Å; E31-Q105 PolarHBondContact OE2-NE2 3.49Å; L101-Q105 PolarHBondContact O-N 3.4Å; F103-Q105 PolarHBondContact O-N 3.14Å; Q105-R108 WeakPolarHBondContact O-CB 3.49Å; Q105-R108 PolarHBondContact O-N 3.39Å |
| 106 | I | 76.9 | Confident | 68.5 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 172.7 | -54 | 175.4 | 0 | 0 | 0 | 110.2 | F103 L104 R108 M109 | F103-I106 HydrophobicContact CD2-CD1 4.23Å; F103-I106 WeakPolarHBondContact O-CB 3.4Å; F103-I106 PolarHBondContact O-N 2.88Å; L104-I106 VanDerWaalsContact C-N 3.32Å; I106-R108 PolarHBondContact O-N 3.47Å; I106-M109 VanDerWaalsContact O-CB 3.26Å; I106-M109 WeakPolarHBondContact O-CB 3.39Å; I106-M109 PolarHBondContact O-N 3.45Å |
| 107 | L | 71.6 | Confident | 69.7 | Low | 46 Ų | 46 | 73.4 Ų | 73.4 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -26.9 | 174.1 | -58.6 | -175 | 0 | 0 | 0 | 112.9 | M75 V76 L104 M109 L110 | M75-L107 HydrophobicContact CE-CD1 4.35Å; V76-L107 HydrophobicContact CG2-CB 3.74Å; V76-L107 HydrophobicContact CG2-CD1 4.45Å; L104-L107 HydrophobicContact CD2-CD1 3.66Å; L104-L107 PolarHBondContact O-N 3Å; L107-M109 PolarHBondContact O-N 3.46Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 2.92Å |
| 108 | R | 73.6 | Confident | 71.1 | Confident | 7 Ų | 7 | 76 Ų | 76 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.1 | -18.1 | 172.4 | -63.9 | 179.7 | -176 | 148.3 | 12.7 | 113.3 | V4 E31 V76 S80 L104 Q105 I106 R111 | V4-R108 HydrophobicContact CG1-CB 3.8Å; E31-R108 VanDerWaalsContact CD-NH1 3.27Å; E31-R108 VanDerWaalsContact CD-NH2 3.29Å; E31-R108 IonicContact OE1-CZ 3.03Å; E31-R108 IonicContact OE1-NH1 2.91Å; E31-R108 PolarHBondContact OE1-NH1 3.29Å; E31-R108 IonicContact OE1-NH2 2.67Å; E31-R108 PolarHBondContact OE1-NH2 3.13Å; E31-R108 IonicContact OE2-CZ 3.37Å; E31-R108 IonicContact OE2-NH1 3.18Å; E31-R108 PolarHBondContact OE2-NH1 2.98Å; E31-R108 IonicContact OE2-NH2 3.46Å; V76-R108 HydrophobicContact CG1-CB 4.49Å; V76-R108 HydrophobicContact CG1-CG 3.51Å; S80-R108 VanDerWaalsContact CB-NH2 3.32Å; S80-R108 PolarHBondContact OG-NE 2.8Å; S80-R108 PolarHBondContact OG-NH2 2.89Å; L104-R108 PolarHBondContact O-N 3.43Å; Q105-R108 WeakPolarHBondContact O-CB 3.49Å; Q105-R108 PolarHBondContact O-N 3.39Å; I106-R108 PolarHBondContact O-N 3.47Å; R108-R111 VanDerWaalsContact O-CG 3.22Å; R108-R111 WeakPolarHBondContact O-CG 3.41Å; R108-R111 PolarHBondContact O-NE 2.88Å |
| 109 | M | 76.7 | Confident | 72.3 | Confident | 92 Ų | 92 | 79.3 Ų | 79.3 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -82.5 | -34.6 | 173.3 | -166.3 | 173.2 | -178.6 | 0 | 0 | 111.8 | L8 I106 L107 R111 M112 | L8-M109 HydrophobicContact CD1-SD 4.03Å; I106-M109 VanDerWaalsContact O-CB 3.26Å; I106-M109 WeakPolarHBondContact O-CB 3.39Å; I106-M109 PolarHBondContact O-N 3.45Å; L107-M109 PolarHBondContact O-N 3.46Å; M109-R111 VanDerWaalsContact C-N 3.26Å; M109-R111 PolarHBondContact O-N 3.29Å; M109-M112 WeakPolarHBondContact O-CB 3.39Å; M109-M112 PolarHBondContact O-N 2.9Å |
| 110 | L | 72.3 | Confident | 73.6 | Confident | 83 Ų | 83 | 79 Ų | 79 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.4 | -39.7 | -177.5 | -167 | 74.1 | 0 | 0 | 0 | 113.1 | I72 L107 M112 | I72-L110 HydrophobicContact CD1-CD2 4.45Å; I72-L110 HydrophobicContact CG2-CD2 4.44Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 2.92Å; L110-M112 PolarHBondContact O-N 2.91Å |
| 111 | R | 72.8 | Confident | 74.7 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -1 | 177.8 | 62.1 | 175.6 | 178.5 | 166.2 | 4.7 | 115.6 | F38 D73 R108 M109 D113 R114 | F38-R111 VanDerWaalsContact CZ-NH2 3.33Å; D73-R111 WeakPolarHBondContact OD1-CD 3.35Å; D73-R111 IonicContact OD1-CZ 3.32Å; D73-R111 IonicContact OD1-NE 2.68Å; D73-R111 IonicContact OD1-NH1 2.69Å; D73-R111 PolarHBondContact OD1-NH1 3.46Å; R108-R111 VanDerWaalsContact O-CG 3.22Å; R108-R111 WeakPolarHBondContact O-CG 3.41Å; R108-R111 PolarHBondContact O-NE 2.88Å; M109-R111 VanDerWaalsContact C-N 3.26Å; M109-R111 PolarHBondContact O-N 3.29Å; R111-D113 VanDerWaalsContact C-N 3.25Å; R111-D113 PolarHBondContact O-N 3.26Å; R111-R114 PolarHBondContact O-N 3.02Å |
| 112 | M | 71.4 | Confident | 76.1 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.7 | 175.3 | -112.4 | -78.7 | 80.9 | 0 | 0 | 111.5 | F1 M109 L110 R114 | F1-M112 HydrophobicContact CB-SD 3.99Å; F1-M112 HydrophobicContact CD2-CG 3.96Å; F1-M112 HydrophobicContact CD2-SD 3.73Å; F1-M112 HydrophobicContact CG-SD 4.28Å; M109-M112 WeakPolarHBondContact O-CB 3.39Å; M109-M112 PolarHBondContact O-N 2.9Å; L110-M112 PolarHBondContact O-N 2.91Å; M112-R114 PolarHBondContact O-N 3.44Å |
| 113 | D | 71.1 | Confident | 77.4 | Confident | 28 Ų | 28 | 79 Ų | 79 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | trans | -77.1 | 63.7 | 166.9 | -168.6 | -0.4 | 0 | 0 | 0 | 111 | F69 R111 R115 G116 G117 T118 W119 | F69-D113 WeakPolarHBondContact CE1-O 3.39Å; R111-D113 VanDerWaalsContact C-N 3.25Å; R111-D113 PolarHBondContact O-N 3.26Å; D113-R115 PolarHBondContact O-N 2.89Å; D113-R115 PolarHBondContact OD1-N 3.41Å; D113-G116 PolarHBondContact O-N 3.35Å; D113-G116 WeakPolarHBondContact OD1-CA 3.44Å; D113-G116 PolarHBondContact OD1-N 2.87Å; D113-G116 WeakPolarHBondContact OD2-CA 3.4Å; D113-G117 PolarHBondContact OD1-N 2.91Å; D113-G117 PolarHBondContact OD2-N 3.27Å; D113-G117 VanDerWaalsContact OD2-N 3.17Å; D113-T118 WeakPolarHBondContact OD2-CB 3.37Å; D113-T118 PolarHBondContact OD2-N 2.92Å; D113-T118 PolarHBondContact OD2-OG1 2.9Å; D113-W119 PolarHBondContact OD2-N 3.43Å | ||
| 114 | R | 68.2 | Low | 78.4 | Confident | 148 Ų | 148 | 75 Ų | 75 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -8.5 | 178.9 | -167.6 | 173 | 66.9 | 163 | -0.2 | 113.3 | E41 R111 M112 | E41-R114 IonicContact OE1-CZ 3.85Å; E41-R114 IonicContact OE1-NH1 3.98Å; E41-R114 PolarHBondContact OE1-NH1 3.22Å; R111-R114 PolarHBondContact O-N 3.02Å; M112-R114 PolarHBondContact O-N 3.44Å |
| 115 | R | 70.4 | Confident | 79.6 | Confident | 227 Ų | 227 | 72.7 Ų | 72.7 | 86% | 0.857 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -16 | 177.6 | -55.5 | -170.7 | -163.3 | -152.5 | 5.9 | 112.9 | D113 G117 | D113-R115 PolarHBondContact O-N 2.89Å; D113-R115 PolarHBondContact OD1-N 3.41Å; R115-G117 PolarHBondContact O-N 2.9Å |
| 116 | G | 79.2 | Confident | 80.8 | Confident | 2 Ų | 2 | 74.8 Ų | 74.8 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | trans | 60 | 25.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D113 K120 | D113-G116 PolarHBondContact O-N 3.35Å; D113-G116 WeakPolarHBondContact OD1-CA 3.44Å; D113-G116 PolarHBondContact OD1-N 2.87Å; D113-G116 WeakPolarHBondContact OD2-CA 3.4Å; G116-K120 WeakPolarHBondContact O-CB 3.49Å; G116-K120 VanDerWaalsContact O-CG 3.26Å; G116-K120 WeakPolarHBondContact O-CG 3.24Å; G116-K120 PolarHBondContact O-N 3.2Å | ||
| 117 | G | 82.8 | Confident | 81.6 | Confident | 40 Ų | 40 | 79.4 Ų | 79.4 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.4 | -45.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D113 R115 K120 L121 | D113-G117 PolarHBondContact OD1-N 2.91Å; D113-G117 PolarHBondContact OD2-N 3.27Å; D113-G117 VanDerWaalsContact OD2-N 3.17Å; R115-G117 PolarHBondContact O-N 2.9Å; G117-K120 PolarHBondContact O-N 2.8Å; G117-L121 WeakPolarHBondContact O-CB 3.16Å; G117-L121 PolarHBondContact O-N 2.9Å |
| 118 | T | 85.4 | Confident | 82.6 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 60% | 0.595 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.8 | -45.6 | 178 | -35.8 | 0 | 0 | 0 | 0 | 110 | D113 K120 L121 L122 | D113-T118 WeakPolarHBondContact OD2-CB 3.37Å; D113-T118 PolarHBondContact OD2-N 2.92Å; D113-T118 PolarHBondContact OD2-OG1 2.9Å; T118-K120 PolarHBondContact O-N 3.23Å; T118-L121 PolarHBondContact O-N 3.1Å; T118-L122 VanDerWaalsContact O-CB 3.28Å; T118-L122 WeakPolarHBondContact O-CB 3.42Å; T118-L122 PolarHBondContact O-N 3.08Å |
| 119 | W | 87.6 | Confident | 83.7 | Confident | 147 Ų | 147 | 82 Ų | 82 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.2 | -38.9 | 177.8 | -65.6 | 102.8 | 0 | 0 | 0 | 113.2 | D113 L122 G123 | D113-W119 PolarHBondContact OD2-N 3.43Å; W119-L122 HydrophobicContact CE3-CD2 4.45Å; W119-G123 PolarHBondContact O-N 3.43Å |
| 120 | K | 88.3 | Confident | 84.6 | Confident | 163 Ų | 163 | 79.4 Ų | 79.4 | 71% | 0.709 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.2 | -39.8 | 173.9 | -77.6 | -178.8 | 172.7 | -157.1 | 0 | 112.8 | G116 G117 T118 S124 | G116-K120 WeakPolarHBondContact O-CB 3.49Å; G116-K120 VanDerWaalsContact O-CG 3.26Å; G116-K120 WeakPolarHBondContact O-CG 3.24Å; G116-K120 PolarHBondContact O-N 3.2Å; G117-K120 PolarHBondContact O-N 2.8Å; T118-K120 PolarHBondContact O-N 3.23Å; K120-S124 WeakPolarHBondContact O-CB 3.48Å; K120-S124 PolarHBondContact O-N 2.96Å |
| 121 | L | 87.6 | Confident | 85.7 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.1 | -51.3 | 177.5 | -171.1 | 73 | 0 | 0 | 0 | 110.6 | G117 T118 S124 V125 F217 K220 | G117-L121 WeakPolarHBondContact O-CB 3.16Å; G117-L121 PolarHBondContact O-N 2.9Å; T118-L121 PolarHBondContact O-N 3.1Å; L121-S124 PolarHBondContact O-N 3.37Å; L121-V125 WeakPolarHBondContact O-CG2 3.3Å; L121-V125 PolarHBondContact O-N 2.88Å; L121-F217 HydrophobicContact CD2-CD1 4.21Å; L121-F217 HydrophobicContact CD2-CE1 4Å; L121-F217 HydrophobicContact CG-CD1 4.37Å; L121-F217 HydrophobicContact CG-CE1 3.99Å; L121-K220 HydrophobicContact CD1-CD 3.82Å; L121-K220 HydrophobicContact CD1-CG 4.46Å |
| 122 | L | 90.3 | Very high | 86.8 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 31% | 0.309 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 175.5 | 174.8 | 63.8 | 0 | 0 | 0 | 111.1 | T118 W119 S124 V125 V126 F217 | T118-L122 VanDerWaalsContact O-CB 3.28Å; T118-L122 WeakPolarHBondContact O-CB 3.42Å; T118-L122 PolarHBondContact O-N 3.08Å; W119-L122 HydrophobicContact CE3-CD2 4.45Å; L122-S124 PolarHBondContact O-N 3.42Å; L122-V125 PolarHBondContact O-N 3.01Å; L122-V125 VanDerWaalsContact O-N 3.08Å; L122-V126 HydrophobicContact CD1-CG2 3.9Å; L122-V126 HydrophobicContact CG-CG2 4.28Å; L122-V126 WeakPolarHBondContact O-CB 3.42Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.46Å; L122-V126 PolarHBondContact O-N 3.44Å; L122-F217 HydrophobicContact CB-CZ 4.23Å; L122-F217 HydrophobicContact CD1-CE2 4.22Å; L122-F217 HydrophobicContact CD1-CZ 3.78Å |
| 123 | G | 92.7 | Very high | 87.9 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 37% | 0.371 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | W119 Y127 | W119-G123 PolarHBondContact O-N 3.43Å; G123-Y127 WeakPolarHBondContact O-CB 3.34Å; G123-Y127 PolarHBondContact O-N 3.05Å |
| 124 | S | 89.1 | Confident | 89.1 | Confident | 53 Ų | 53 | 87.9 Ų | 87.9 | 37% | 0.371 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75.1 | -26.7 | 176.5 | -174.5 | 0 | 0 | 0 | 0 | 113.7 | K120 L121 L122 A128 K220 | K120-S124 WeakPolarHBondContact O-CB 3.48Å; K120-S124 PolarHBondContact O-N 2.96Å; L121-S124 PolarHBondContact O-N 3.37Å; L122-S124 PolarHBondContact O-N 3.42Å; S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 3.42Å; S124-K220 WeakPolarHBondContact OG-CE 3.39Å; S124-K220 PolarHBondContact OG-NZ 3.1Å |
| 125 | V | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 84.6 Ų | 84.6 | 1% | 0.012 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -74.8 | -50.3 | 169.2 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L121 L122 Y127 A128 H129 L213 F217 K220 | L121-V125 WeakPolarHBondContact O-CG2 3.3Å; L121-V125 PolarHBondContact O-N 2.88Å; L122-V125 PolarHBondContact O-N 3.01Å; L122-V125 VanDerWaalsContact O-N 3.08Å; V125-Y127 VanDerWaalsContact C-N 3.28Å; V125-Y127 PolarHBondContact O-N 2.89Å; V125-A128 PolarHBondContact O-N 3.29Å; V125-H129 PolarHBondContact O-CD2 3.12Å; V125-H129 PolarHBondContact O-N 2.71Å; V125-L213 HydrophobicContact CG1-CD2 3.89Å; V125-F217 HydrophobicContact CB-CE1 4.46Å; V125-F217 HydrophobicContact CG2-CD1 3.77Å; V125-F217 HydrophobicContact CG2-CE1 3.85Å; V125-F217 HydrophobicContact CG2-CG 4.32Å; V125-F217 HydrophobicContact CG2-CZ 4.47Å; V125-K220 HydrophobicContact CG2-CB 4.46Å; V125-K220 HydrophobicContact CG2-CD 3.51Å |
| 126 | V | 95.1 | Very high | 91.7 | Very high | 50 Ų | 50 | 74 Ų | 74 | 30% | 0.303 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 178 | 170 | 0 | 0 | 0 | 0 | 111.6 | L122 S130 L133 L213 | L122-V126 HydrophobicContact CD1-CG2 3.9Å; L122-V126 HydrophobicContact CG-CG2 4.28Å; L122-V126 WeakPolarHBondContact O-CB 3.42Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.46Å; L122-V126 PolarHBondContact O-N 3.44Å; V126-S130 WeakPolarHBondContact O-CA 3.41Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 2.84Å; V126-L133 HydrophobicContact CG1-CD2 4.1Å; V126-L213 HydrophobicContact CG2-CD2 3.74Å |
| 127 | Y | 94.9 | Very high | 92.5 | Very high | 192 Ų | 192 | 82.6 Ų | 82.6 | 75% | 0.753 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.6 | -43.6 | 176.8 | -175.9 | -100.9 | 0 | 0 | 0 | 112.5 | G123 V125 S130 | G123-Y127 WeakPolarHBondContact O-CB 3.34Å; G123-Y127 PolarHBondContact O-N 3.05Å; V125-Y127 VanDerWaalsContact C-N 3.28Å; V125-Y127 PolarHBondContact O-N 2.89Å; Y127-S130 VanDerWaalsContact O-CB 3.22Å; Y127-S130 WeakPolarHBondContact O-CB 3.34Å; Y127-S130 PolarHBondContact O-N 3.2Å; Y127-S130 PolarHBondContact O-OG 3.41Å |
| 128 | A | 92.5 | Very high | 93.2 | Very high | 69 Ų | 69 | 88.3 Ų | 88.3 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62 | -44.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S124 V125 S130 | S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 3.42Å; V125-A128 PolarHBondContact O-N 3.29Å; A128-S130 VanDerWaalsContact C-N 3.33Å |
| 129 | H | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 86.9 Ų | 86.9 | 18% | 0.181 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 19.1 | 178.9 | -63.1 | -84.5 | 0 | 0 | 0 | 113 | V125 K131 E132 L133 I212 | V125-H129 PolarHBondContact O-CD2 3.12Å; V125-H129 PolarHBondContact O-N 2.71Å; H129-K131 VanDerWaalsContact C-N 3.33Å; H129-K131 PolarHBondContact O-N 2.97Å; H129-E132 IonicContact CE1-OE2 3.37Å; H129-E132 IonicContact CG-OE2 3.57Å; H129-E132 IonicContact ND1-OE1 2.69Å; H129-E132 IonicContact ND1-OE2 3.55Å; H129-E132 PolarHBondContact ND1-OE2 3.37Å; H129-E132 PolarHBondContact O-N 2.94Å; H129-E132 VanDerWaalsContact O-N 3.15Å; H129-L133 WeakPolarHBondContact O-CB 3.31Å; H129-L133 PolarHBondContact O-N 3.29Å; H129-I212 HydrophobicContact CB-CG2 3.65Å |
| 130 | S | 95.3 | Very high | 94.1 | Very high | 38 Ų | 38 | 80 Ų | 80 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | -172 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | V126 Y127 A128 L133 I134 | V126-S130 WeakPolarHBondContact O-CA 3.41Å; V126-S130 WeakPolarHBondContact O-CB 3.45Å; V126-S130 PolarHBondContact O-N 2.84Å; Y127-S130 VanDerWaalsContact O-CB 3.22Å; Y127-S130 WeakPolarHBondContact O-CB 3.34Å; Y127-S130 PolarHBondContact O-N 3.2Å; Y127-S130 PolarHBondContact O-OG 3.41Å; A128-S130 VanDerWaalsContact C-N 3.33Å; S130-L133 PolarHBondContact O-N 2.84Å; S130-I134 WeakPolarHBondContact O-CB 3.36Å; S130-I134 WeakPolarHBondContact O-CD1 3.43Å; S130-I134 WeakPolarHBondContact O-CG1 3.2Å; S130-I134 PolarHBondContact O-N 3.37Å |
| 131 | K | 95.6 | Very high | 94.5 | Very high | 176 Ų | 176 | 78.2 Ų | 78.2 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | 177.2 | -66 | -179.8 | 179.8 | 178.5 | 0 | 112 | H129 I134 T135 | H129-K131 VanDerWaalsContact C-N 3.33Å; H129-K131 PolarHBondContact O-N 2.97Å; K131-I134 PolarHBondContact O-N 3.41Å; K131-T135 WeakPolarHBondContact O-CG2 3.48Å; K131-T135 PolarHBondContact O-N 2.96Å; K131-T135 PolarHBondContact O-OG1 3.42Å |
| 132 | E | 95.8 | Very high | 94.9 | Very high | 97 Ų | 97 | 79.1 Ų | 79.1 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | -179.4 | -61 | 164.7 | -176.8 | 0 | 0 | 111.4 | H129 T135 A136 I212 | H129-E132 IonicContact CE1-OE2 3.37Å; H129-E132 IonicContact CG-OE2 3.57Å; H129-E132 IonicContact ND1-OE1 2.69Å; H129-E132 IonicContact ND1-OE2 3.55Å; H129-E132 PolarHBondContact ND1-OE2 3.37Å; H129-E132 PolarHBondContact O-N 2.94Å; H129-E132 VanDerWaalsContact O-N 3.15Å; E132-T135 PolarHBondContact O-OG1 2.73Å; E132-T135 VanDerWaalsContact O-OG1 3.12Å; E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 2.93Å; E132-A136 VanDerWaalsContact O-N 3.11Å; E132-I212 HydrophobicContact CB-CD1 4.12Å; E132-I212 HydrophobicContact CB-CG2 4.28Å |
| 133 | L | 95.4 | Very high | 95.2 | Very high | 33 Ų | 33 | 76.8 Ų | 76.8 | 17% | 0.173 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 175.5 | -164.3 | 77.7 | 0 | 0 | 0 | 111.5 | V126 H129 S130 W137 P209 L213 | V126-L133 HydrophobicContact CG1-CD2 4.1Å; H129-L133 WeakPolarHBondContact O-CB 3.31Å; H129-L133 PolarHBondContact O-N 3.29Å; S130-L133 PolarHBondContact O-N 2.84Å; L133-W137 WeakPolarHBondContact O-CB 3.46Å; L133-W137 PolarHBondContact O-N 3.4Å; L133-P209 HydrophobicContact CD1-CB 3.79Å; L133-P209 HydrophobicContact CD1-CG 4.43Å; L133-L213 HydrophobicContact CD1-CG 4.44Å |
| 134 | I | 96.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 75.5 Ų | 75.5 | 59% | 0.585 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | -179.9 | -71.4 | 165.5 | 0 | 0 | 0 | 111.2 | S130 K131 W137 Y138 | S130-I134 WeakPolarHBondContact O-CB 3.36Å; S130-I134 WeakPolarHBondContact O-CD1 3.43Å; S130-I134 WeakPolarHBondContact O-CG1 3.2Å; S130-I134 PolarHBondContact O-N 3.37Å; K131-I134 PolarHBondContact O-N 3.41Å; I134-W137 PolarHBondContact O-N 3.42Å; I134-Y138 VanDerWaalsContact O-CB 3.25Å; I134-Y138 WeakPolarHBondContact O-CB 3.15Å; I134-Y138 PolarHBondContact O-N 3.05Å |
| 135 | T | 96.1 | Very high | 95.8 | Very high | 80 Ų | 80 | 75.6 Ų | 75.6 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | K131 E132 Y138 I139 | K131-T135 WeakPolarHBondContact O-CG2 3.48Å; K131-T135 PolarHBondContact O-N 2.96Å; K131-T135 PolarHBondContact O-OG1 3.42Å; E132-T135 PolarHBondContact O-OG1 2.73Å; E132-T135 VanDerWaalsContact O-OG1 3.12Å; T135-Y138 PolarHBondContact O-N 2.99Å; T135-I139 VanDerWaalsContact O-CG1 3.3Å; T135-I139 WeakPolarHBondContact O-CG1 3.21Å; T135-I139 PolarHBondContact O-N 2.84Å |
| 136 | A | 96.1 | Very high | 96 | Very high | 3 Ų | 3 | 79.3 Ų | 79.3 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E132 G140 L208 P209 I212 | E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 2.93Å; E132-A136 VanDerWaalsContact O-N 3.11Å; A136-G140 PolarHBondContact O-N 3.35Å; A136-L208 HydrophobicContact CB-CB 4.02Å; A136-L208 HydrophobicContact CB-CD1 4.36Å; A136-P209 HydrophobicContact CB-CG 4.31Å; A136-I212 HydrophobicContact CB-CD1 4.4Å |
| 137 | W | 96 | Very high | 96 | Very high | 183 Ų | 183 | 77 Ų | 77 | 69% | 0.693 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 175.4 | -102.2 | 57.1 | 0 | 0 | 0 | 112.9 | L133 I134 F141 | L133-W137 WeakPolarHBondContact O-CB 3.46Å; L133-W137 PolarHBondContact O-N 3.4Å; I134-W137 PolarHBondContact O-N 3.42Å; W137-F141 VanDerWaalsContact O-CB 3.27Å; W137-F141 WeakPolarHBondContact O-CB 3.37Å; W137-F141 PolarHBondContact O-N 3.47Å |
| 138 | Y | 97.3 | Very high | 96.1 | Very high | 160 Ų | 160 | 67.9 Ų | 67.9 | 63% | 0.627 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.8 | -48.7 | 179.8 | 174.9 | -102 | 0 | 0 | 0 | 111.8 | I134 T135 F141 L142 | I134-Y138 VanDerWaalsContact O-CB 3.25Å; I134-Y138 WeakPolarHBondContact O-CB 3.15Å; I134-Y138 PolarHBondContact O-N 3.05Å; T135-Y138 PolarHBondContact O-N 2.99Å; Y138-F141 PolarHBondContact O-N 3.48Å; Y138-L142 WeakPolarHBondContact O-CB 3.45Å; Y138-L142 PolarHBondContact O-N 2.93Å |
| 139 | I | 96.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 69.7 Ų | 69.7 | 35% | 0.349 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 179.7 | -60.3 | 165.2 | 0 | 0 | 0 | 110.6 | T135 L142 C143 F205 | T135-I139 VanDerWaalsContact O-CG1 3.3Å; T135-I139 WeakPolarHBondContact O-CG1 3.21Å; T135-I139 PolarHBondContact O-N 2.84Å; I139-L142 PolarHBondContact O-N 3.19Å; I139-C143 VanDerWaalsContact O-CB 3.25Å; I139-C143 WeakPolarHBondContact O-CB 3.47Å; I139-C143 PolarHBondContact O-N 2.79Å; I139-F205 HydrophobicContact CB-CD1 3.92Å; I139-F205 HydrophobicContact CB-CE1 3.98Å; I139-F205 HydrophobicContact CB-CG 4.4Å; I139-F205 HydrophobicContact CB-CZ 4.49Å; I139-F205 HydrophobicContact CD1-CE1 3.91Å; I139-F205 HydrophobicContact CG2-CD1 3.71Å; I139-F205 HydrophobicContact CG2-CD2 3.91Å; I139-F205 HydrophobicContact CG2-CE1 3.55Å; I139-F205 HydrophobicContact CG2-CE2 3.75Å; I139-F205 HydrophobicContact CG2-CG 3.91Å; I139-F205 HydrophobicContact CG2-CZ 3.58Å |
| 140 | G | 96.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A136 C143 L144 F206 | A136-G140 PolarHBondContact O-N 3.35Å; G140-C143 WeakPolarHBondContact O-CB 3.29Å; G140-C143 PolarHBondContact O-N 3.23Å; G140-L144 WeakPolarHBondContact O-CB 3.34Å; G140-L144 PolarHBondContact O-N 3.5Å; G140-F206 WeakPolarHBondContact O-CE2 3.38Å |
| 141 | F | 96.8 | Very high | 96.4 | Very high | 126 Ų | 126 | 69 Ų | 69 | 55% | 0.553 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.7 | -40.9 | 178 | -170.4 | -98.7 | 0 | 0 | 0 | 112.4 | W137 Y138 C143 L144 I145 | W137-F141 VanDerWaalsContact O-CB 3.27Å; W137-F141 WeakPolarHBondContact O-CB 3.37Å; W137-F141 PolarHBondContact O-N 3.47Å; Y138-F141 PolarHBondContact O-N 3.48Å; F141-C143 VanDerWaalsContact C-N 3.32Å; F141-C143 PolarHBondContact O-N 3.04Å; F141-L144 PolarHBondContact O-N 3.34Å; F141-I145 HydrophobicContact CD1-CG1 4.14Å; F141-I145 HydrophobicContact CE1-CD1 4.16Å; F141-I145 HydrophobicContact CE1-CG1 3.78Å; F141-I145 HydrophobicContact CZ-CD1 4Å; F141-I145 HydrophobicContact CZ-CG1 4.08Å; F141-I145 WeakPolarHBondContact O-CG1 3.47Å; F141-I145 PolarHBondContact O-N 2.76Å |
| 142 | L | 96.5 | Very high | 96.5 | Very high | 81 Ų | 81 | 62.6 Ų | 62.6 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 173.4 | -178.2 | 62.2 | 0 | 0 | 0 | 111.4 | Y138 I139 I145 L146 | Y138-L142 WeakPolarHBondContact O-CB 3.45Å; Y138-L142 PolarHBondContact O-N 2.93Å; I139-L142 PolarHBondContact O-N 3.19Å; L142-I145 PolarHBondContact O-N 2.8Å; L142-L146 HydrophobicContact CD1-CD1 4.22Å; L142-L146 HydrophobicContact CD1-CG 4.47Å; L142-L146 HydrophobicContact CG-CD1 4.08Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 2.71Å |
| 143 | C | 96.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 174.6 | -172 | 0 | 0 | 0 | 0 | 111.8 | I139 G140 F141 L146 A147 | I139-C143 VanDerWaalsContact O-CB 3.25Å; I139-C143 WeakPolarHBondContact O-CB 3.47Å; I139-C143 PolarHBondContact O-N 2.79Å; G140-C143 WeakPolarHBondContact O-CB 3.29Å; G140-C143 PolarHBondContact O-N 3.23Å; F141-C143 VanDerWaalsContact C-N 3.32Å; F141-C143 PolarHBondContact O-N 3.04Å; C143-L146 PolarHBondContact O-N 3.41Å; C143-A147 WeakPolarHBondContact O-CB 3.39Å; C143-A147 PolarHBondContact O-N 2.74Å |
| 144 | L | 97.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 176.6 | -175.9 | 153 | 0 | 0 | 0 | 112 | G140 F141 S148 L169 L173 L176 F206 | G140-L144 WeakPolarHBondContact O-CB 3.34Å; G140-L144 PolarHBondContact O-N 3.5Å; F141-L144 PolarHBondContact O-N 3.34Å; L144-S148 VanDerWaalsContact O-CB 3.27Å; L144-S148 WeakPolarHBondContact O-CB 3.37Å; L144-S148 PolarHBondContact O-N 3.49Å; L144-S148 PolarHBondContact O-OG 3.26Å; L144-L169 HydrophobicContact CD2-CD1 3.55Å; L144-L169 HydrophobicContact CD2-CG 4.16Å; L144-L173 HydrophobicContact CD1-CB 4.11Å; L144-L173 HydrophobicContact CD1-CD1 3.82Å; L144-L176 HydrophobicContact CB-CD1 3.89Å; L144-L176 HydrophobicContact CG-CD1 4.39Å; L144-F206 HydrophobicContact CB-CE2 4.33Å; L144-F206 HydrophobicContact CB-CZ 4.41Å; L144-F206 HydrophobicContact CD1-CE2 4.31Å; L144-F206 HydrophobicContact CD1-CZ 3.72Å |
| 145 | I | 97.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 179.4 | -65.9 | -65.7 | 0 | 0 | 0 | 110.9 | F141 L142 F149 Y165 L169 | F141-I145 HydrophobicContact CD1-CG1 4.14Å; F141-I145 HydrophobicContact CE1-CD1 4.16Å; F141-I145 HydrophobicContact CE1-CG1 3.78Å; F141-I145 HydrophobicContact CZ-CD1 4Å; F141-I145 HydrophobicContact CZ-CG1 4.08Å; F141-I145 WeakPolarHBondContact O-CG1 3.47Å; F141-I145 PolarHBondContact O-N 2.76Å; L142-I145 PolarHBondContact O-N 2.8Å; I145-F149 VanDerWaalsContact O-CB 3.28Å; I145-F149 WeakPolarHBondContact O-CB 3.31Å; I145-F149 PolarHBondContact O-N 3.4Å; I145-Y165 WeakPolarHBondContact CD1-OH 3.38Å; I145-L169 HydrophobicContact CD1-CD1 3.74Å |
| 146 | L | 97 | Very high | 96.2 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.414 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 178.7 | -70.8 | 170.6 | 0 | 0 | 0 | 112.4 | L142 C143 F149 L150 F198 | L142-L146 HydrophobicContact CD1-CD1 4.22Å; L142-L146 HydrophobicContact CD1-CG 4.47Å; L142-L146 HydrophobicContact CG-CD1 4.08Å; L142-L146 WeakPolarHBondContact O-CB 3.43Å; L142-L146 VanDerWaalsContact O-CG 3.31Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 2.71Å; C143-L146 PolarHBondContact O-N 3.41Å; L146-F149 PolarHBondContact O-N 3.31Å; L146-L150 WeakPolarHBondContact O-CB 3.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.34Å; L146-F198 HydrophobicContact CB-CE1 4.25Å |
| 147 | A | 96.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C143 V151 F198 | C143-A147 WeakPolarHBondContact O-CB 3.39Å; C143-A147 PolarHBondContact O-N 2.74Å; A147-V151 WeakPolarHBondContact O-CB 3.45Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 3.23Å; A147-F198 HydrophobicContact CB-CB 3.56Å; A147-F198 HydrophobicContact CB-CD1 3.88Å; A147-F198 HydrophobicContact CB-CD2 4.23Å; A147-F198 HydrophobicContact CB-CG 3.62Å |
| 148 | S | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 179.1 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | L144 Y152 A168 | L144-S148 VanDerWaalsContact O-CB 3.27Å; L144-S148 WeakPolarHBondContact O-CB 3.37Å; L144-S148 PolarHBondContact O-N 3.49Å; L144-S148 PolarHBondContact O-OG 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.46Å; S148-Y152 PolarHBondContact O-N 3.18Å; S148-A168 WeakPolarHBondContact O-CB 3.45Å; S148-A168 PolarHBondContact OG-O 3.2Å |
| 149 | F | 97 | Very high | 95 | Very high | 108 Ų | 108 | 54.8 Ų | 54.8 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 179.2 | 179.2 | -99.7 | 0 | 0 | 0 | 112.5 | I145 L146 Y152 S153 Y165 | I145-F149 VanDerWaalsContact O-CB 3.28Å; I145-F149 WeakPolarHBondContact O-CB 3.31Å; I145-F149 PolarHBondContact O-N 3.4Å; L146-F149 PolarHBondContact O-N 3.31Å; F149-Y152 PolarHBondContact O-N 2.91Å; F149-S153 WeakPolarHBondContact O-CB 3.47Å; F149-S153 PolarHBondContact O-N 3.32Å; F149-S153 PolarHBondContact O-OG 2.89Å; F149-S153 VanDerWaalsContact O-OG 3.07Å; F149-Y165 HydrophobicContact CB-CE2 4.02Å; F149-Y165 HydrophobicContact CD2-CE2 4.45Å |
| 150 | L | 96.3 | Very high | 94.7 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.2 | -36.9 | -177.4 | -70.4 | 169.4 | 0 | 0 | 0 | 112.6 | L146 V154 L194 F198 | L146-L150 WeakPolarHBondContact O-CB 3.42Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.34Å; L150-V154 WeakPolarHBondContact O-CG2 3.44Å; L150-V154 PolarHBondContact O-N 3.46Å; L150-L194 HydrophobicContact CB-CD1 4.41Å; L150-F198 HydrophobicContact CD1-CE2 3.54Å; L150-F198 HydrophobicContact CD1-CZ 3.57Å |
| 151 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.3 | -40.9 | 174.3 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | A147 S153 V154 E155 F162 W171 P186 L194 | A147-V151 WeakPolarHBondContact O-CB 3.45Å; A147-V151 WeakPolarHBondContact O-CG2 3.48Å; A147-V151 PolarHBondContact O-N 3.23Å; V151-S153 PolarHBondContact O-N 3.38Å; V151-V154 PolarHBondContact O-N 2.63Å; V151-E155 HydrophobicContact CG1-CG 3.87Å; V151-E155 WeakPolarHBondContact O-CB 3.48Å; V151-E155 WeakPolarHBondContact O-CG 3.41Å; V151-E155 PolarHBondContact O-N 3.42Å; V151-F162 HydrophobicContact CG1-CE1 4.33Å; V151-F162 HydrophobicContact CG1-CZ 4.46Å; V151-W171 HydrophobicContact CB-CE3 4.34Å; V151-W171 HydrophobicContact CB-CH2 4.25Å; V151-W171 HydrophobicContact CB-CZ3 3.75Å; V151-W171 HydrophobicContact CG1-CE3 4.14Å; V151-W171 HydrophobicContact CG1-CH2 4.16Å; V151-W171 HydrophobicContact CG1-CZ3 3.85Å; V151-W171 HydrophobicContact CG2-CH2 3.77Å; V151-W171 HydrophobicContact CG2-CZ3 3.68Å; V151-P186 HydrophobicContact CG1-CB 4.2Å; V151-L194 HydrophobicContact CG2-CB 4.08Å |
| 152 | Y | 96.8 | Very high | 94.2 | Very high | 42 Ų | 42 | 56.1 Ų | 56.1 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.6 | -50.5 | 170.9 | 174 | -119.9 | 0 | 0 | 0 | 112 | S148 F149 V154 E155 K156 F162 T164 Y165 A168 | S148-Y152 WeakPolarHBondContact O-CB 3.46Å; S148-Y152 PolarHBondContact O-N 3.18Å; F149-Y152 PolarHBondContact O-N 2.91Å; Y152-V154 PolarHBondContact O-N 2.86Å; Y152-E155 PolarHBondContact O-N 3.19Å; Y152-K156 HydrophobicContact CD2-CB 4.16Å; Y152-K156 HydrophobicContact CD2-CG 4.38Å; Y152-K156 HydrophobicContact CE1-CD 4.43Å; Y152-K156 HydrophobicContact CE2-CB 4.04Å; Y152-K156 HydrophobicContact CE2-CD 3.79Å; Y152-K156 HydrophobicContact CE2-CG 3.77Å; Y152-K156 WeakPolarHBondContact O-CB 3.27Å; Y152-K156 PolarHBondContact O-N 3.04Å; Y152-K156 WeakPolarHBondContact OH-CE 2.98Å; Y152-F162 WeakPolarHBondContact CD2-O 3.42Å; Y152-F162 WeakPolarHBondContact CE2-O 3.09Å; Y152-T164 VanDerWaalsContact CE2-C 3.48Å; Y152-Y165 HydrophobicContact CD1-CD2 4.09Å; Y152-Y165 HydrophobicContact CG-CD2 4.41Å; Y152-A168 HydrophobicContact CD2-CB 4.39Å; Y152-A168 HydrophobicContact CG-CB 4.31Å |
| 153 | S | 95.3 | Very high | 93.9 | Very high | 71 Ų | 71 | 58.8 Ų | 58.8 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -15.2 | -179.3 | -66.6 | 0 | 0 | 0 | 0 | 114.8 | F149 V151 | F149-S153 WeakPolarHBondContact O-CB 3.47Å; F149-S153 PolarHBondContact O-N 3.32Å; F149-S153 PolarHBondContact O-OG 2.89Å; F149-S153 VanDerWaalsContact O-OG 3.07Å; V151-S153 PolarHBondContact O-N 3.38Å |
| 154 | V | 95.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 30% | 0.297 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -103.9 | -36.2 | 177.1 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | L150 V151 Y152 T188 N190 L194 | L150-V154 WeakPolarHBondContact O-CG2 3.44Å; L150-V154 PolarHBondContact O-N 3.46Å; V151-V154 PolarHBondContact O-N 2.63Å; Y152-V154 PolarHBondContact O-N 2.86Å; V154-T188 WeakPolarHBondContact CG1-OG1 3.37Å; V154-N190 HydrophobicContact CG1-CB 3.71Å; V154-L194 HydrophobicContact CG2-CD1 3.85Å |
| 155 | E | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -86.1 | -27.6 | -177 | -68.3 | -70.5 | 136.2 | 0 | 0 | 113.5 | V151 Y152 E157 S158 N159 F162 P186 K187 T188 | V151-E155 HydrophobicContact CG1-CG 3.87Å; V151-E155 WeakPolarHBondContact O-CB 3.48Å; V151-E155 WeakPolarHBondContact O-CG 3.41Å; V151-E155 PolarHBondContact O-N 3.42Å; Y152-E155 PolarHBondContact O-N 3.19Å; E155-E157 VanDerWaalsContact C-N 3.27Å; E155-E157 PolarHBondContact O-N 2.96Å; E155-E157 VanDerWaalsContact O-N 3.09Å; E155-S158 CarbonylContact O-C 3.54Å; E155-S158 PolarHBondContact O-N 2.86Å; E155-S158 PolarHBondContact O-OG 2.93Å; E155-N159 HydrophobicContact CB-CB 4.37Å; E155-N159 PolarHBondContact O-N 3.46Å; E155-N159 WeakPolarHBondContact OE2-CB 3.49Å; E155-N159 PolarHBondContact OE2-ND2 2.82Å; E155-F162 HydrophobicContact CB-CB 4.03Å; E155-F162 HydrophobicContact CB-CD2 3.69Å; E155-F162 HydrophobicContact CB-CE2 4.31Å; E155-F162 HydrophobicContact CB-CG 3.88Å; E155-F162 HydrophobicContact CG-CD2 4.12Å; E155-F162 HydrophobicContact CG-CE2 4.23Å; E155-P186 VanDerWaalsContact CD-CA 3.4Å; E155-P186 HydrophobicContact CG-CB 3.89Å; E155-P186 WeakPolarHBondContact OE1-CB 3.33Å; E155-P186 VanDerWaalsContact OE2-CA 3.31Å; E155-P186 WeakPolarHBondContact OE2-CA 3.31Å; E155-K187 VanDerWaalsContact CD-N 3.33Å; E155-K187 PolarHBondContact OE1-N 2.95Å; E155-K187 PolarHBondContact OE2-N 3.11Å; E155-T188 VanDerWaalsContact OE1-CB 3.27Å; E155-T188 WeakPolarHBondContact OE1-CB 3.4Å; E155-T188 WeakPolarHBondContact OE1-CG2 3.07Å; E155-T188 PolarHBondContact OE1-N 3.41Å; E155-T188 PolarHBondContact OE1-OG1 3.34Å |
| 156 | K | 92.1 | Very high | 93.8 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37.7 | -170.8 | -171.7 | -165.3 | -176.9 | -164.2 | 0 | 114.7 | Y152 S158 | Y152-K156 HydrophobicContact CD2-CB 4.16Å; Y152-K156 HydrophobicContact CD2-CG 4.38Å; Y152-K156 HydrophobicContact CE1-CD 4.43Å; Y152-K156 HydrophobicContact CE2-CB 4.04Å; Y152-K156 HydrophobicContact CE2-CD 3.79Å; Y152-K156 HydrophobicContact CE2-CG 3.77Å; Y152-K156 WeakPolarHBondContact O-CB 3.27Å; Y152-K156 PolarHBondContact O-N 3.04Å; Y152-K156 WeakPolarHBondContact OH-CE 2.98Å; K156-S158 VanDerWaalsContact C-N 3.33Å |
| 157 | E | 89.3 | Confident | 93.7 | Very high | 200 Ų | 200 | 62.8 Ų | 62.8 | 94% | 0.935 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4.5 | -178.7 | -61.8 | -173.9 | 170.6 | 0 | 0 | 113.6 | E155 | E155-E157 VanDerWaalsContact C-N 3.27Å; E155-E157 PolarHBondContact O-N 2.96Å; E155-E157 VanDerWaalsContact O-N 3.09Å |
| 158 | S | 86.6 | Confident | 93.7 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.6 | -8.7 | -169.5 | 59.2 | 0 | 0 | 0 | 0 | 115 | E155 K156 T188 | E155-S158 CarbonylContact O-C 3.54Å; E155-S158 PolarHBondContact O-N 2.86Å; E155-S158 PolarHBondContact O-OG 2.93Å; K156-S158 VanDerWaalsContact C-N 3.33Å; S158-T188 WeakPolarHBondContact OG-CG2 3.39Å |
| 159 | N | 89.4 | Confident | 93.7 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.032 | 34% | 0.338 | C | S | . | . | trans | -144.7 | 111.4 | -179.6 | -172.7 | 4.8 | 0 | 0 | 0 | 111.9 | E155 E161 F162 V185 K187 | E155-N159 HydrophobicContact CB-CB 4.37Å; E155-N159 PolarHBondContact O-N 3.46Å; E155-N159 WeakPolarHBondContact OE2-CB 3.49Å; E155-N159 PolarHBondContact OE2-ND2 2.82Å; N159-E161 PolarHBondContact ND2-OE2 3.33Å; N159-E161 PolarHBondContact O-N 3.35Å; N159-E161 WeakPolarHBondContact OD1-CB 2.92Å; N159-E161 WeakPolarHBondContact OD1-CG 3.44Å; N159-E161 PolarHBondContact OD1-N 3.01Å; N159-E161 VanDerWaalsContact OD1-N 3.12Å; N159-F162 HydrophobicContact CB-CD2 4.17Å; N159-F162 WeakPolarHBondContact ND2-CD2 3.46Å; N159-F162 WeakPolarHBondContact ND2-CE2 3.41Å; N159-F162 PolarHBondContact O-N 3.01Å; N159-V185 PolarHBondContact ND2-O 3.06Å; N159-V185 VanDerWaalsContact ND2-O 3.13Å; N159-K187 HydrophobicContact CB-CD 4.2Å; N159-K187 WeakPolarHBondContact OD1-CE 3.33Å; N159-K187 PolarHBondContact OD1-NZ 3.39Å | ||
| 160 | E | 88.8 | Confident | 93.7 | Very high | 172 Ų | 172 | 65.7 Ų | 65.7 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -58.3 | -17.6 | 176.4 | -61.6 | 170.5 | 168.8 | 0 | 0 | 113.3 | F162 | E160-F162 PolarHBondContact O-N 3Š|
| 161 | E | 90 | Very high | 93.8 | Very high | 52 Ų | 52 | 63.7 Ų | 63.7 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -63.6 | -22.7 | 172 | -68.5 | 159.6 | -159 | 0 | 0 | 113.2 | N159 K184 V185 K187 | N159-E161 PolarHBondContact ND2-OE2 3.33Å; N159-E161 PolarHBondContact O-N 3.35Å; N159-E161 WeakPolarHBondContact OD1-CB 2.92Å; N159-E161 WeakPolarHBondContact OD1-CG 3.44Å; N159-E161 PolarHBondContact OD1-N 3.01Å; N159-E161 VanDerWaalsContact OD1-N 3.12Å; E161-K184 HydrophobicContact CB-CB 4.33Å; E161-K184 HydrophobicContact CB-CG 4.23Å; E161-K184 WeakPolarHBondContact O-CD 3.21Å; E161-K184 PolarHBondContact O-NZ 2.68Å; E161-V185 PolarHBondContact OE2-N 2.88Å; E161-K187 VanDerWaalsContact CD-NZ 3.31Å; E161-K187 WeakPolarHBondContact OE1-CE 3.48Å; E161-K187 IonicContact OE1-NZ 3.68Å; E161-K187 PolarHBondContact OE1-NZ 2.89Å; E161-K187 IonicContact OE2-NZ 3.45Å |
| 162 | F | 92.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -114.9 | 35.3 | -174.1 | -65.9 | -86.8 | 0 | 0 | 0 | 113.1 | V151 Y152 E155 N159 E160 T164 A168 W171 K184 | V151-F162 HydrophobicContact CG1-CE1 4.33Å; V151-F162 HydrophobicContact CG1-CZ 4.46Å; Y152-F162 WeakPolarHBondContact CD2-O 3.42Å; Y152-F162 WeakPolarHBondContact CE2-O 3.09Å; E155-F162 HydrophobicContact CB-CB 4.03Å; E155-F162 HydrophobicContact CB-CD2 3.69Å; E155-F162 HydrophobicContact CB-CE2 4.31Å; E155-F162 HydrophobicContact CB-CG 3.88Å; E155-F162 HydrophobicContact CG-CD2 4.12Å; E155-F162 HydrophobicContact CG-CE2 4.23Å; N159-F162 HydrophobicContact CB-CD2 4.17Å; N159-F162 WeakPolarHBondContact ND2-CD2 3.46Å; N159-F162 WeakPolarHBondContact ND2-CE2 3.41Å; N159-F162 PolarHBondContact O-N 3.01Å; E160-F162 PolarHBondContact O-N 3Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.25Å; F162-A168 HydrophobicContact CD1-CB 3.92Å; F162-A168 HydrophobicContact CE1-CB 4.36Å; F162-W171 HydrophobicContact CE1-CB 3.82Å; F162-W171 HydrophobicContact CE1-CD2 4.08Å; F162-W171 HydrophobicContact CE1-CE3 4.34Å; F162-W171 AromaticContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CZ-CB 4.24Å; F162-W171 HydrophobicContact CZ-CD2 4.18Å; F162-W171 AromaticContact CZ-CG 3.87Å; F162-W171 HydrophobicContact CZ-CG 3.87Å; F162-K184 HydrophobicContact CZ-CB 4.35Å |
| 163 | E | 90.9 | Very high | 93.8 | Very high | 137 Ų | 137 | 65.2 Ų | 65.2 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -50.7 | -45.5 | 175.3 | -83.5 | -178.9 | -173.3 | 0 | 0 | 113.4 | ||
| 164 | T | 95.1 | Very high | 93.9 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -117.1 | 156.9 | -178 | 87.2 | 0 | 0 | 0 | 0 | 112.9 | Y152 F162 A166 D167 A168 | Y152-T164 VanDerWaalsContact CE2-C 3.48Å; F162-T164 VanDerWaalsContact C-N 3.31Å; F162-T164 PolarHBondContact O-N 3.25Å; T164-A166 PolarHBondContact O-N 2.99Å; T164-A166 PolarHBondContact OG1-N 3.14Å; T164-D167 WeakPolarHBondContact CA-OD2 3.31Å; T164-D167 VanDerWaalsContact CB-OD2 3.26Å; T164-D167 WeakPolarHBondContact CB-OD2 3.17Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.26Å; T164-D167 PolarHBondContact N-OD2 3.38Å; T164-D167 VanDerWaalsContact N-OD2 3.08Å; T164-D167 WeakPolarHBondContact O-CB 3.35Å; T164-D167 PolarHBondContact O-N 3.46Å; T164-D167 VanDerWaalsContact O-N 3.13Å; T164-D167 PolarHBondContact OG1-N 3.42Å; T164-D167 PolarHBondContact OG1-OD2 2.82Å; T164-A168 PolarHBondContact O-N 3.47Å |
| 165 | Y | 95.9 | Very high | 93.9 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -25.5 | 171.9 | 177.6 | -104.7 | 0 | 0 | 0 | 112.9 | I145 F149 Y152 D167 A168 L169 | I145-Y165 WeakPolarHBondContact CD1-OH 3.38Å; F149-Y165 HydrophobicContact CB-CE2 4.02Å; F149-Y165 HydrophobicContact CD2-CE2 4.45Å; Y152-Y165 HydrophobicContact CD1-CD2 4.09Å; Y152-Y165 HydrophobicContact CG-CD2 4.41Å; Y165-D167 VanDerWaalsContact C-N 3.33Å; Y165-A168 PolarHBondContact O-N 3.17Å; Y165-L169 HydrophobicContact CE1-CD1 4.11Å; Y165-L169 WeakPolarHBondContact O-CB 3.35Å; Y165-L169 PolarHBondContact O-N 3Å |
| 166 | A | 96.9 | Very high | 94 | Very high | 64 Ų | 64 | 61.6 Ų | 61.6 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.7 | -32.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T164 L169 W170 | T164-A166 PolarHBondContact O-N 2.99Å; T164-A166 PolarHBondContact OG1-N 3.14Å; A166-L169 PolarHBondContact O-N 3.43Å; A166-W170 PolarHBondContact O-N 2.84Å |
| 167 | D | 95.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 174.9 | -59.7 | -70.1 | 0 | 0 | 0 | 111.8 | T164 Y165 W170 W171 K184 | T164-D167 WeakPolarHBondContact CA-OD2 3.31Å; T164-D167 VanDerWaalsContact CB-OD2 3.26Å; T164-D167 WeakPolarHBondContact CB-OD2 3.17Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.26Å; T164-D167 PolarHBondContact N-OD2 3.38Å; T164-D167 VanDerWaalsContact N-OD2 3.08Å; T164-D167 WeakPolarHBondContact O-CB 3.35Å; T164-D167 PolarHBondContact O-N 3.46Å; T164-D167 VanDerWaalsContact O-N 3.13Å; T164-D167 PolarHBondContact OG1-N 3.42Å; T164-D167 PolarHBondContact OG1-OD2 2.82Å; Y165-D167 VanDerWaalsContact C-N 3.33Å; D167-W170 PolarHBondContact O-N 3.49Å; D167-W171 WeakPolarHBondContact O-CB 3.45Å; D167-W171 PolarHBondContact O-N 2.95Å; D167-K184 HydrophobicContact CB-CD 4.19Å; D167-K184 VanDerWaalsContact CG-NZ 3.27Å; D167-K184 IonicContact OD1-NZ 2.79Å; D167-K184 PolarHBondContact OD1-NZ 3.05Å |
| 168 | A | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S148 Y152 F162 T164 Y165 W171 G172 | S148-A168 WeakPolarHBondContact O-CB 3.45Å; S148-A168 PolarHBondContact OG-O 3.2Å; Y152-A168 HydrophobicContact CD2-CB 4.39Å; Y152-A168 HydrophobicContact CG-CB 4.31Å; F162-A168 HydrophobicContact CD1-CB 3.92Å; F162-A168 HydrophobicContact CE1-CB 4.36Å; T164-A168 PolarHBondContact O-N 3.47Å; Y165-A168 PolarHBondContact O-N 3.17Å; A168-W171 PolarHBondContact O-N 2.73Å; A168-G172 PolarHBondContact O-N 2.87Å |
| 169 | L | 97.2 | Very high | 95 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 174.3 | -166.3 | 90.7 | 0 | 0 | 0 | 111.7 | L144 I145 Y165 A166 G172 L173 | L144-L169 HydrophobicContact CD2-CD1 3.55Å; L144-L169 HydrophobicContact CD2-CG 4.16Å; I145-L169 HydrophobicContact CD1-CD1 3.74Å; Y165-L169 HydrophobicContact CE1-CD1 4.11Å; Y165-L169 WeakPolarHBondContact O-CB 3.35Å; Y165-L169 PolarHBondContact O-N 3Å; A166-L169 PolarHBondContact O-N 3.43Å; L169-G172 PolarHBondContact O-N 3.03Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 PolarHBondContact O-N 3.43Å |
| 170 | W | 97.4 | Very high | 95.3 | Very high | 108 Ų | 108 | 57 Ų | 57 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -52.2 | 172.5 | 169.2 | -104.4 | 0 | 0 | 0 | 111 | A166 D167 G172 L173 I174 Y181 D183 | A166-W170 PolarHBondContact O-N 2.84Å; D167-W170 PolarHBondContact O-N 3.49Å; W170-G172 VanDerWaalsContact C-N 3.31Å; W170-G172 PolarHBondContact O-N 3.46Å; W170-L173 PolarHBondContact O-N 3.47Å; W170-I174 HydrophobicContact CD2-CG1 3.92Å; W170-I174 HydrophobicContact CE3-CD1 4.43Å; W170-I174 HydrophobicContact CE3-CG1 4.17Å; W170-I174 HydrophobicContact CH2-CD1 3.83Å; W170-I174 HydrophobicContact CH2-CG1 4.1Å; W170-I174 HydrophobicContact CZ2-CD1 3.99Å; W170-I174 HydrophobicContact CZ2-CG1 3.82Å; W170-I174 HydrophobicContact CZ3-CD1 4.06Å; W170-I174 HydrophobicContact CZ3-CG1 4.26Å; W170-I174 WeakPolarHBondContact O-CB 3.4Å; W170-I174 WeakPolarHBondContact O-CG1 3.45Å; W170-I174 PolarHBondContact O-N 3.41Å; W170-Y181 AromaticContact CH2-CE2 3.99Å; W170-Y181 HydrophobicContact CH2-CE2 3.99Å; W170-Y181 AromaticContact CZ2-CD2 3.9Å; W170-Y181 HydrophobicContact CZ2-CD2 3.9Å; W170-Y181 AromaticContact CZ2-CE2 3.8Å; W170-Y181 HydrophobicContact CZ2-CE2 3.8Å; W170-D183 PolarHBondContact NE1-OD2 3.32Å |
| 171 | W | 96.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 56 Ų | 56 | 8% | 0.076 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.2 | -45.7 | 175.2 | 169.5 | 76 | 0 | 0 | 0 | 112.2 | V151 F162 D167 A168 I174 T175 K184 P186 | V151-W171 HydrophobicContact CB-CE3 4.34Å; V151-W171 HydrophobicContact CB-CH2 4.25Å; V151-W171 HydrophobicContact CB-CZ3 3.75Å; V151-W171 HydrophobicContact CG1-CE3 4.14Å; V151-W171 HydrophobicContact CG1-CH2 4.16Å; V151-W171 HydrophobicContact CG1-CZ3 3.85Å; V151-W171 HydrophobicContact CG2-CH2 3.77Å; V151-W171 HydrophobicContact CG2-CZ3 3.68Å; F162-W171 HydrophobicContact CE1-CB 3.82Å; F162-W171 HydrophobicContact CE1-CD2 4.08Å; F162-W171 HydrophobicContact CE1-CE3 4.34Å; F162-W171 AromaticContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CE1-CG 3.82Å; F162-W171 HydrophobicContact CZ-CB 4.24Å; F162-W171 HydrophobicContact CZ-CD2 4.18Å; F162-W171 AromaticContact CZ-CG 3.87Å; F162-W171 HydrophobicContact CZ-CG 3.87Å; D167-W171 WeakPolarHBondContact O-CB 3.45Å; D167-W171 PolarHBondContact O-N 2.95Å; A168-W171 PolarHBondContact O-N 2.73Å; W171-I174 PolarHBondContact O-N 3.15Å; W171-T175 HydrophobicContact CZ2-CG2 4.22Å; W171-T175 PolarHBondContact NE1-OG1 3.31Å; W171-T175 VanDerWaalsContact O-CB 3.24Å; W171-T175 WeakPolarHBondContact O-CB 3.3Å; W171-T175 PolarHBondContact O-N 2.85Å; W171-T175 PolarHBondContact O-OG1 2.95Å; W171-K184 HydrophobicContact CB-CB 4.44Å; W171-P186 HydrophobicContact CZ2-CG 4.22Å |
| 172 | G | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A168 L169 W170 T175 L176 | A168-G172 PolarHBondContact O-N 2.87Å; L169-G172 PolarHBondContact O-N 3.03Å; W170-G172 VanDerWaalsContact C-N 3.31Å; W170-G172 PolarHBondContact O-N 3.46Å; G172-T175 PolarHBondContact O-N 3.1Å; G172-L176 WeakPolarHBondContact O-CB 3.22Å; G172-L176 WeakPolarHBondContact O-CG 3.45Å; G172-L176 PolarHBondContact O-N 3.04Å |
| 173 | L | 97.4 | Very high | 95.9 | Very high | 73 Ų | 73 | 59.8 Ų | 59.8 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 175.5 | -177.8 | 63.7 | 0 | 0 | 0 | 111.9 | L144 L169 W170 T175 T177 | L144-L173 HydrophobicContact CD1-CB 4.11Å; L144-L173 HydrophobicContact CD1-CD1 3.82Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 PolarHBondContact O-N 3.43Å; W170-L173 PolarHBondContact O-N 3.47Å; L173-T175 VanDerWaalsContact C-N 3.29Å; L173-T175 PolarHBondContact O-N 2.69Å; L173-T177 HydrophobicContact CD1-CG2 3.96Å; L173-T177 WeakPolarHBondContact O-CB 3.35Å; L173-T177 WeakPolarHBondContact O-CG2 3.23Å; L173-T177 PolarHBondContact O-N 3.32Å; L173-T177 PolarHBondContact O-OG1 2.9Å |
| 174 | I | 97.1 | Very high | 96 | Very high | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -31.4 | -179.6 | -67 | -54 | 0 | 0 | 0 | 112.2 | W170 W171 I179 G180 Y181 | W170-I174 HydrophobicContact CD2-CG1 3.92Å; W170-I174 HydrophobicContact CE3-CD1 4.43Å; W170-I174 HydrophobicContact CE3-CG1 4.17Å; W170-I174 HydrophobicContact CH2-CD1 3.83Å; W170-I174 HydrophobicContact CH2-CG1 4.1Å; W170-I174 HydrophobicContact CZ2-CD1 3.99Å; W170-I174 HydrophobicContact CZ2-CG1 3.82Å; W170-I174 HydrophobicContact CZ3-CD1 4.06Å; W170-I174 HydrophobicContact CZ3-CG1 4.26Å; W170-I174 WeakPolarHBondContact O-CB 3.4Å; W170-I174 WeakPolarHBondContact O-CG1 3.45Å; W170-I174 PolarHBondContact O-N 3.41Å; W171-I174 PolarHBondContact O-N 3.15Å; I174-I179 HydrophobicContact CD1-CB 4.33Å; I174-I179 HydrophobicContact CD1-CD1 4.02Å; I174-I179 HydrophobicContact CD1-CG2 4.29Å; I174-I179 HydrophobicContact CG2-CB 4.16Å; I174-I179 HydrophobicContact CG2-CG2 4.28Å; I174-I179 PolarHBondContact O-N 3.41Å; I174-G180 PolarHBondContact O-N 2.88Å; I174-G180 VanDerWaalsContact O-N 3.09Å; I174-Y181 HydrophobicContact CD1-CD2 3.83Å; I174-Y181 HydrophobicContact CD1-CE2 3.53Å; I174-Y181 HydrophobicContact CG1-CD2 4Å; I174-Y181 HydrophobicContact CG1-CE2 4.2Å; I174-Y181 HydrophobicContact CG2-CD2 3.77Å; I174-Y181 HydrophobicContact CG2-CG 4.23Å |
| 175 | T | 96.1 | Very high | 96 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.1 | -51.3 | 176 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | W171 G172 L173 T177 T178 | W171-T175 HydrophobicContact CZ2-CG2 4.22Å; W171-T175 PolarHBondContact NE1-OG1 3.31Å; W171-T175 VanDerWaalsContact O-CB 3.24Å; W171-T175 WeakPolarHBondContact O-CB 3.3Å; W171-T175 PolarHBondContact O-N 2.85Å; W171-T175 PolarHBondContact O-OG1 2.95Å; G172-T175 PolarHBondContact O-N 3.1Å; L173-T175 VanDerWaalsContact C-N 3.29Å; L173-T175 PolarHBondContact O-N 2.69Å; T175-T177 VanDerWaalsContact C-N 3.31Å; T175-T177 PolarHBondContact O-N 3.23Å; T175-T178 PolarHBondContact O-N 3.28Å |
| 176 | L | 95.9 | Very high | 96 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.1 | -23.3 | -176.9 | -63.6 | -169.9 | 0 | 0 | 0 | 113.6 | L144 G172 T178 V203 F206 | L144-L176 HydrophobicContact CB-CD1 3.89Å; L144-L176 HydrophobicContact CG-CD1 4.39Å; G172-L176 WeakPolarHBondContact O-CB 3.22Å; G172-L176 WeakPolarHBondContact O-CG 3.45Å; G172-L176 PolarHBondContact O-N 3.04Å; L176-T178 VanDerWaalsContact C-N 3.26Å; L176-V203 HydrophobicContact CD2-CG2 4.48Å; L176-F206 HydrophobicContact CB-CD2 3.89Å; L176-F206 HydrophobicContact CB-CE2 4Å; L176-F206 HydrophobicContact CB-CG 4.45Å; L176-F206 HydrophobicContact CD1-CD2 4.34Å; L176-F206 HydrophobicContact CD1-CE2 3.95Å; L176-F206 WeakPolarHBondContact O-CB 3.41Å |
| 177 | T | 96 | Very high | 95.8 | Very high | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.27 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.5 | 169.3 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | L173 T175 I179 F206 | L173-T177 HydrophobicContact CD1-CG2 3.96Å; L173-T177 WeakPolarHBondContact O-CB 3.35Å; L173-T177 WeakPolarHBondContact O-CG2 3.23Å; L173-T177 PolarHBondContact O-N 3.32Å; L173-T177 PolarHBondContact O-OG1 2.9Å; T175-T177 VanDerWaalsContact C-N 3.31Å; T175-T177 PolarHBondContact O-N 3.23Å; T177-I179 PolarHBondContact O-N 2.87Å; T177-I179 WeakPolarHBondContact OG1-CD1 3.06Å; T177-I179 WeakPolarHBondContact OG1-CG1 3.48Å; T177-F206 HydrophobicContact CG2-CD1 3.92Å; T177-F206 HydrophobicContact CG2-CE1 4.13Å |
| 178 | T | 96.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 54.1 Ų | 54.1 | 63% | 0.632 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 21.2 | -179.5 | 61.8 | 0 | 0 | 0 | 0 | 115.6 | T175 L176 V203 | T175-T178 PolarHBondContact O-N 3.28Å; L176-T178 VanDerWaalsContact C-N 3.26Å; T178-V203 HydrophobicContact CG2-CB 4.22Å; T178-V203 HydrophobicContact CG2-CG1 3.46Å; T178-V203 VanDerWaalsContact CG2-CG1 3.46Å; T178-V203 HydrophobicContact CG2-CG2 3.66Å |
| 179 | I | 96.9 | Very high | 95.8 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | trans | -74.6 | -44.1 | 177.3 | -64.5 | 173.7 | 0 | 0 | 0 | 110.7 | I174 T177 Y181 | I174-I179 HydrophobicContact CD1-CB 4.33Å; I174-I179 HydrophobicContact CD1-CD1 4.02Å; I174-I179 HydrophobicContact CD1-CG2 4.29Å; I174-I179 HydrophobicContact CG2-CB 4.16Å; I174-I179 HydrophobicContact CG2-CG2 4.28Å; I174-I179 PolarHBondContact O-N 3.41Å; T177-I179 PolarHBondContact O-N 2.87Å; T177-I179 WeakPolarHBondContact OG1-CD1 3.06Å; T177-I179 WeakPolarHBondContact OG1-CG1 3.48Å; I179-Y181 HydrophobicContact CG2-CD1 3.86Å; I179-Y181 HydrophobicContact CG2-CD2 4.05Å; I179-Y181 HydrophobicContact CG2-CE1 3.56Å; I179-Y181 HydrophobicContact CG2-CE2 3.77Å; I179-Y181 HydrophobicContact CG2-CG 4.09Å; I179-Y181 PolarHBondContact O-N 3.38Å | ||
| 180 | G | 95.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 65 Ų | 65 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | trans | 57.2 | 47.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | I174 G182 | I174-G180 PolarHBondContact O-N 2.88Å; I174-G180 VanDerWaalsContact O-N 3.09Å; G180-G182 PolarHBondContact O-N 3.34Å; G180-G182 VanDerWaalsContact O-N 3.12Å | ||
| 181 | Y | 95.6 | Very high | 95.5 | Very high | 150 Ų | 150 | 59.9 Ų | 59.9 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | trans | -55.7 | -28.1 | -179.1 | -68.8 | -51 | 0 | 0 | 0 | 114.9 | W170 I174 I179 D183 | W170-Y181 AromaticContact CH2-CE2 3.99Å; W170-Y181 HydrophobicContact CH2-CE2 3.99Å; W170-Y181 AromaticContact CZ2-CD2 3.9Å; W170-Y181 HydrophobicContact CZ2-CD2 3.9Å; W170-Y181 AromaticContact CZ2-CE2 3.8Å; W170-Y181 HydrophobicContact CZ2-CE2 3.8Å; I174-Y181 HydrophobicContact CD1-CD2 3.83Å; I174-Y181 HydrophobicContact CD1-CE2 3.53Å; I174-Y181 HydrophobicContact CG1-CD2 4Å; I174-Y181 HydrophobicContact CG1-CE2 4.2Å; I174-Y181 HydrophobicContact CG2-CD2 3.77Å; I174-Y181 HydrophobicContact CG2-CG 4.23Å; I179-Y181 HydrophobicContact CG2-CD1 3.86Å; I179-Y181 HydrophobicContact CG2-CD2 4.05Å; I179-Y181 HydrophobicContact CG2-CE1 3.56Å; I179-Y181 HydrophobicContact CG2-CE2 3.77Å; I179-Y181 HydrophobicContact CG2-CG 4.09Å; I179-Y181 PolarHBondContact O-N 3.38Å; Y181-D183 VanDerWaalsContact C-N 3.28Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.31Å; Y181-D183 PolarHBondContact O-N 2.82Å | ||
| 182 | G | 94 | Very high | 95.5 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 58% | 0.577 | 34% | 0.342 | S | S | * | . | trans | 76.2 | 13.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G180 | G180-G182 PolarHBondContact O-N 3.34Å; G180-G182 VanDerWaalsContact O-N 3.12Å | ||
| 183 | D | 94.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 41% | 0.406 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -73.8 | -28 | 177.8 | 61.9 | -42.6 | 0 | 0 | 0 | 113.5 | W170 Y181 | W170-D183 PolarHBondContact NE1-OD2 3.32Å; Y181-D183 VanDerWaalsContact C-N 3.28Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.31Å; Y181-D183 PolarHBondContact O-N 2.82Å |
| 184 | K | 94 | Very high | 95.4 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 18% | 0.183 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -136.9 | 131.9 | 172.8 | -58.9 | -172.4 | 176.2 | -129.9 | 0 | 108.7 | E161 F162 D167 W171 | E161-K184 HydrophobicContact CB-CB 4.33Å; E161-K184 HydrophobicContact CB-CG 4.23Å; E161-K184 WeakPolarHBondContact O-CD 3.21Å; E161-K184 PolarHBondContact O-NZ 2.68Å; F162-K184 HydrophobicContact CZ-CB 4.35Å; D167-K184 HydrophobicContact CB-CD 4.19Å; D167-K184 VanDerWaalsContact CG-NZ 3.27Å; D167-K184 IonicContact OD1-NZ 2.79Å; D167-K184 PolarHBondContact OD1-NZ 3.05Å; W171-K184 HydrophobicContact CB-CB 4.44Å |
| 185 | V | 95 | Very high | 95.3 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | trans | -146.3 | 132 | -177 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | N159 E161 K187 | N159-V185 PolarHBondContact ND2-O 3.06Å; N159-V185 VanDerWaalsContact ND2-O 3.13Å; E161-V185 PolarHBondContact OE2-N 2.88Å; V185-K187 PolarHBondContact O-N 3.45Å | ||
| 186 | P | 94.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 5% | 0.052 | 38% | 0.375 | C | S | . | . | trans | -58.1 | 127 | 175.3 | 22.3 | -32.7 | 0 | 0 | 0 | 111.4 | V151 E155 W171 R192 | V151-P186 HydrophobicContact CG1-CB 4.2Å; E155-P186 VanDerWaalsContact CD-CA 3.4Å; E155-P186 HydrophobicContact CG-CB 3.89Å; E155-P186 WeakPolarHBondContact OE1-CB 3.33Å; E155-P186 VanDerWaalsContact OE2-CA 3.31Å; E155-P186 WeakPolarHBondContact OE2-CA 3.31Å; W171-P186 HydrophobicContact CZ2-CG 4.22Å; P186-R192 HydrophobicContact CB-CG 4.25Å; P186-R192 HydrophobicContact CG-CG 4.17Å; P186-R192 VanDerWaalsContact O-CG 3.26Å; P186-R192 WeakPolarHBondContact O-CG 3.43Å; P186-R192 PolarHBondContact O-NE 3.29Å | ||
| 187 | K | 93.7 | Very high | 95.3 | Very high | 105 Ų | 105 | 71.5 Ų | 71.5 | 46% | 0.457 | 39% | 0.39 | S | S | . | . | trans | -92.3 | -32.4 | -178.4 | -71.9 | 174.7 | -170.7 | 157.4 | 0 | 111.7 | E155 N159 E161 V185 R192 | E155-K187 VanDerWaalsContact CD-N 3.33Å; E155-K187 PolarHBondContact OE1-N 2.95Å; E155-K187 PolarHBondContact OE2-N 3.11Å; N159-K187 HydrophobicContact CB-CD 4.2Å; N159-K187 WeakPolarHBondContact OD1-CE 3.33Å; N159-K187 PolarHBondContact OD1-NZ 3.39Å; E161-K187 VanDerWaalsContact CD-NZ 3.31Å; E161-K187 WeakPolarHBondContact OE1-CE 3.48Å; E161-K187 IonicContact OE1-NZ 3.68Å; E161-K187 PolarHBondContact OE1-NZ 2.89Å; E161-K187 IonicContact OE2-NZ 3.45Å; V185-K187 PolarHBondContact O-N 3.45Å; K187-R192 PolarHBondContact O-NE 3.17Å | ||
| 188 | T | 95.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 71.4 Ų | 71.4 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -72.7 | 152.5 | 178.4 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | V154 E155 S158 N190 G191 R192 | V154-T188 WeakPolarHBondContact CG1-OG1 3.37Å; E155-T188 VanDerWaalsContact OE1-CB 3.27Å; E155-T188 WeakPolarHBondContact OE1-CB 3.4Å; E155-T188 WeakPolarHBondContact OE1-CG2 3.07Å; E155-T188 PolarHBondContact OE1-N 3.41Å; E155-T188 PolarHBondContact OE1-OG1 3.34Å; S158-T188 WeakPolarHBondContact OG-CG2 3.39Å; T188-N190 VanDerWaalsContact C-N 3.28Å; T188-N190 PolarHBondContact O-N 3.26Å; T188-G191 PolarHBondContact OG1-N 3.36Å; T188-R192 WeakPolarHBondContact O-CB 3.43Å; T188-R192 WeakPolarHBondContact O-CD 3.4Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 2.86Å |
| 189 | W | 94.9 | Very high | 95.2 | Very high | 191 Ų | 191 | 68.2 Ų | 68.2 | 72% | 0.723 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 172.1 | -179.3 | -102.9 | 0 | 0 | 0 | 112.2 | R192 L193 | W189-R192 PolarHBondContact O-N 3.07Å; W189-L193 WeakPolarHBondContact O-CB 3.33Å; W189-L193 PolarHBondContact O-N 3.14Å |
| 190 | N | 94.5 | Very high | 95 | Very high | 100 Ų | 100 | 71.1 Ų | 71.1 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.6 | -44.3 | -178 | -65.7 | -9.3 | 0 | 0 | 0 | 111.7 | V154 T188 R192 L193 L194 | V154-N190 HydrophobicContact CG1-CB 3.71Å; T188-N190 VanDerWaalsContact C-N 3.28Å; T188-N190 PolarHBondContact O-N 3.26Å; N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 3.31Å; N190-L193 PolarHBondContact O-N 3.05Å; N190-L194 WeakPolarHBondContact O-CB 3.4Å; N190-L194 WeakPolarHBondContact O-CG 3.32Å; N190-L194 PolarHBondContact O-N 3.46Å |
| 191 | G | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T188 G195 | T188-G191 PolarHBondContact OG1-N 3.36Å; G191-G195 PolarHBondContact O-N 3.4Å |
| 192 | R | 95.6 | Very high | 94.9 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 48% | 0.475 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 172.5 | -72.3 | 168.9 | -178.8 | 179.8 | 0.7 | 112.8 | P186 K187 T188 W189 N190 G195 A196 | P186-R192 HydrophobicContact CB-CG 4.25Å; P186-R192 HydrophobicContact CG-CG 4.17Å; P186-R192 VanDerWaalsContact O-CG 3.26Å; P186-R192 WeakPolarHBondContact O-CG 3.43Å; P186-R192 PolarHBondContact O-NE 3.29Å; K187-R192 PolarHBondContact O-NE 3.17Å; T188-R192 WeakPolarHBondContact O-CB 3.43Å; T188-R192 WeakPolarHBondContact O-CD 3.4Å; T188-R192 WeakPolarHBondContact O-CG 3.35Å; T188-R192 PolarHBondContact O-N 2.86Å; W189-R192 PolarHBondContact O-N 3.07Å; N190-R192 VanDerWaalsContact C-N 3.33Å; N190-R192 PolarHBondContact O-N 3.31Å; R192-G195 PolarHBondContact O-N 3.23Å; R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 2.91Å |
| 193 | L | 97.1 | Very high | 95.1 | Very high | 105 Ų | 105 | 65 Ų | 65 | 55% | 0.55 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 178.2 | -178.4 | 63.2 | 0 | 0 | 0 | 111.5 | W189 N190 A197 | W189-L193 WeakPolarHBondContact O-CB 3.33Å; W189-L193 PolarHBondContact O-N 3.14Å; N190-L193 PolarHBondContact O-N 3.05Å; L193-A197 WeakPolarHBondContact O-CB 3.24Å; L193-A197 PolarHBondContact O-N 2.96Å |
| 194 | L | 95.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 64 Ų | 64 | 27% | 0.272 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 173.7 | -71 | 169.2 | 0 | 0 | 0 | 111.2 | L150 V151 V154 N190 A196 A197 F198 | L150-L194 HydrophobicContact CB-CD1 4.41Å; V151-L194 HydrophobicContact CG2-CB 4.08Å; V154-L194 HydrophobicContact CG2-CD1 3.85Å; N190-L194 WeakPolarHBondContact O-CB 3.4Å; N190-L194 WeakPolarHBondContact O-CG 3.32Å; N190-L194 PolarHBondContact O-N 3.46Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.48Å; L194-A197 PolarHBondContact O-N 3.23Å; L194-F198 HydrophobicContact CD2-CE2 4.37Å; L194-F198 WeakPolarHBondContact O-CD2 3.23Å; L194-F198 PolarHBondContact O-N 2.98Å |
| 195 | G | 94.7 | Very high | 95.2 | Very high | 6 Ų | 6 | 64.8 Ų | 64.8 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G191 R192 S199 | G191-G195 PolarHBondContact O-N 3.4Å; R192-G195 PolarHBondContact O-N 3.23Å; G195-S199 WeakPolarHBondContact O-CB 3.31Å; G195-S199 PolarHBondContact O-N 3.35Å |
| 196 | A | 96.2 | Very high | 95.2 | Very high | 53 Ų | 53 | 64.9 Ų | 64.9 | 44% | 0.438 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R192 L194 S199 M200 | R192-A196 WeakPolarHBondContact O-CB 3.35Å; R192-A196 PolarHBondContact O-N 2.91Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.48Å; A196-S199 PolarHBondContact O-N 3.14Å; A196-M200 WeakPolarHBondContact O-CG 3.33Å; A196-M200 PolarHBondContact O-N 2.98Å; A196-M200 VanDerWaalsContact O-N 3.14Å |
| 197 | A | 95.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L193 L194 I201 | L193-A197 WeakPolarHBondContact O-CB 3.24Å; L193-A197 PolarHBondContact O-N 2.96Å; L194-A197 PolarHBondContact O-N 3.23Å; A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.67Å |
| 198 | F | 95.2 | Very high | 95.4 | Very high | 42 Ų | 42 | 66 Ų | 66 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.2 | -31.6 | 177.4 | -81 | -72.9 | 0 | 0 | 0 | 113.2 | L146 A147 L150 L194 I201 G202 | L146-F198 HydrophobicContact CB-CE1 4.25Å; A147-F198 HydrophobicContact CB-CB 3.56Å; A147-F198 HydrophobicContact CB-CD1 3.88Å; A147-F198 HydrophobicContact CB-CD2 4.23Å; A147-F198 HydrophobicContact CB-CG 3.62Å; L150-F198 HydrophobicContact CD1-CE2 3.54Å; L150-F198 HydrophobicContact CD1-CZ 3.57Å; L194-F198 HydrophobicContact CD2-CE2 4.37Å; L194-F198 WeakPolarHBondContact O-CD2 3.23Å; L194-F198 PolarHBondContact O-N 2.98Å; F198-I201 PolarHBondContact O-N 2.83Å; F198-G202 PolarHBondContact O-N 3.37Å |
| 199 | S | 95.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 25% | 0.245 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | G195 A196 I201 G202 V203 | G195-S199 WeakPolarHBondContact O-CB 3.31Å; G195-S199 PolarHBondContact O-N 3.35Å; A196-S199 PolarHBondContact O-N 3.14Å; S199-I201 PolarHBondContact O-N 2.7Å; S199-G202 PolarHBondContact O-N 2.96Å; S199-V203 VanDerWaalsContact O-CB 3.25Å; S199-V203 WeakPolarHBondContact O-CB 3.03Å; S199-V203 WeakPolarHBondContact O-CG2 3.21Å; S199-V203 PolarHBondContact O-N 2.71Å |
| 200 | M | 94.3 | Very high | 95.4 | Very high | 148 Ų | 148 | 59.9 Ų | 59.9 | 73% | 0.729 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -55.5 | -38 | 177.7 | -71.4 | -172.3 | -65.2 | 0 | 0 | 113.2 | A196 | A196-M200 WeakPolarHBondContact O-CG 3.33Å; A196-M200 PolarHBondContact O-N 2.98Å; A196-M200 VanDerWaalsContact O-N 3.14Å |
| 201 | I | 94.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.8 | -53.3 | -179.4 | -61.3 | 169 | 0 | 0 | 0 | 110.7 | A197 F198 S199 A204 F205 | A197-I201 WeakPolarHBondContact O-CG1 3.22Å; A197-I201 PolarHBondContact O-N 2.67Å; F198-I201 PolarHBondContact O-N 2.83Å; S199-I201 PolarHBondContact O-N 2.7Å; I201-A204 WeakPolarHBondContact O-CB 3.39Å; I201-A204 PolarHBondContact O-N 2.93Å; I201-F205 HydrophobicContact CG2-CD2 4.12Å; I201-F205 HydrophobicContact CG2-CE2 3.97Å; I201-F205 WeakPolarHBondContact O-CD2 3.31Å; I201-F205 PolarHBondContact O-N 2.67Å |
| 202 | G | 94.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.6 | -38.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F198 S199 A204 F205 F206 | F198-G202 PolarHBondContact O-N 3.37Å; S199-G202 PolarHBondContact O-N 2.96Å; G202-A204 VanDerWaalsContact C-N 3.25Å; G202-A204 PolarHBondContact O-N 2.89Å; G202-F205 PolarHBondContact O-N 3.42Å; G202-F205 VanDerWaalsContact O-N 3.11Å; G202-F206 WeakPolarHBondContact O-CD2 3.42Å; G202-F206 PolarHBondContact O-N 2.79Å |
| 203 | V | 96.5 | Very high | 95.5 | Very high | 42 Ų | 42 | 54.2 Ų | 54.2 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.6 | -38.9 | 176.5 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | L176 T178 S199 F206 A207 | L176-V203 HydrophobicContact CD2-CG2 4.48Å; T178-V203 HydrophobicContact CG2-CB 4.22Å; T178-V203 HydrophobicContact CG2-CG1 3.46Å; T178-V203 VanDerWaalsContact CG2-CG1 3.46Å; T178-V203 HydrophobicContact CG2-CG2 3.66Å; S199-V203 VanDerWaalsContact O-CB 3.25Å; S199-V203 WeakPolarHBondContact O-CB 3.03Å; S199-V203 WeakPolarHBondContact O-CG2 3.21Å; S199-V203 PolarHBondContact O-N 2.71Å; V203-F206 PolarHBondContact O-N 2.73Å; V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 2.82Å |
| 204 | A | 95.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I201 G202 A207 L208 | I201-A204 WeakPolarHBondContact O-CB 3.39Å; I201-A204 PolarHBondContact O-N 2.93Å; G202-A204 VanDerWaalsContact C-N 3.25Å; G202-A204 PolarHBondContact O-N 2.89Å; A204-A207 PolarHBondContact O-N 2.64Å; A204-L208 WeakPolarHBondContact O-CG 3.35Å; A204-L208 PolarHBondContact O-N 3.33Å; A204-L208 VanDerWaalsContact O-N 3.15Å |
| 205 | F | 95.6 | Very high | 95.3 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 25% | 0.25 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 178 | -75.8 | -74.1 | 0 | 0 | 0 | 113.5 | I139 I201 G202 A207 L208 P209 | I139-F205 HydrophobicContact CB-CD1 3.92Å; I139-F205 HydrophobicContact CB-CE1 3.98Å; I139-F205 HydrophobicContact CB-CG 4.4Å; I139-F205 HydrophobicContact CB-CZ 4.49Å; I139-F205 HydrophobicContact CD1-CE1 3.91Å; I139-F205 HydrophobicContact CG2-CD1 3.71Å; I139-F205 HydrophobicContact CG2-CD2 3.91Å; I139-F205 HydrophobicContact CG2-CE1 3.55Å; I139-F205 HydrophobicContact CG2-CE2 3.75Å; I139-F205 HydrophobicContact CG2-CG 3.91Å; I139-F205 HydrophobicContact CG2-CZ 3.58Å; I201-F205 HydrophobicContact CG2-CD2 4.12Å; I201-F205 HydrophobicContact CG2-CE2 3.97Å; I201-F205 WeakPolarHBondContact O-CD2 3.31Å; I201-F205 PolarHBondContact O-N 2.67Å; G202-F205 PolarHBondContact O-N 3.42Å; G202-F205 VanDerWaalsContact O-N 3.11Å; F205-A207 VanDerWaalsContact C-N 3.31Å; F205-L208 HydrophobicContact CD1-CD1 3.82Å; F205-L208 HydrophobicContact CE1-CD1 4.18Å; F205-L208 PolarHBondContact O-N 3.18Å; F205-P209 VanDerWaalsContact O-CD 3.27Å; F205-P209 WeakPolarHBondContact O-CD 3.48Å |
| 206 | F | 95.3 | Very high | 95.2 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.8 | -24.8 | 174.3 | -88.2 | -96.2 | 0 | 0 | 0 | 113.1 | G140 L144 L176 T177 G202 V203 | G140-F206 WeakPolarHBondContact O-CE2 3.38Å; L144-F206 HydrophobicContact CB-CE2 4.33Å; L144-F206 HydrophobicContact CB-CZ 4.41Å; L144-F206 HydrophobicContact CD1-CE2 4.31Å; L144-F206 HydrophobicContact CD1-CZ 3.72Å; L176-F206 HydrophobicContact CB-CD2 3.89Å; L176-F206 HydrophobicContact CB-CE2 4Å; L176-F206 HydrophobicContact CB-CG 4.45Å; L176-F206 HydrophobicContact CD1-CD2 4.34Å; L176-F206 HydrophobicContact CD1-CE2 3.95Å; L176-F206 WeakPolarHBondContact O-CB 3.41Å; T177-F206 HydrophobicContact CG2-CD1 3.92Å; T177-F206 HydrophobicContact CG2-CE1 4.13Å; G202-F206 WeakPolarHBondContact O-CD2 3.42Å; G202-F206 PolarHBondContact O-N 2.79Å; V203-F206 PolarHBondContact O-N 2.73Å |
| 207 | A | 96.2 | Very high | 95 | Very high | 57 Ų | 57 | 52 Ų | 52 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.1 | -29.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V203 A204 F205 A210 G211 | V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 2.82Å; A204-A207 PolarHBondContact O-N 2.64Å; F205-A207 VanDerWaalsContact C-N 3.31Å; A207-A210 PolarHBondContact O-N 2.99Å; A207-A210 VanDerWaalsContact O-N 3.09Å; A207-G211 PolarHBondContact O-N 3.11Å |
| 208 | L | 96 | Very high | 94.7 | Very high | 81 Ų | 81 | 53 Ų | 53 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.3 | -44.5 | -176.7 | -76.6 | 177.9 | 0 | 0 | 0 | 114.6 | A136 A204 F205 A210 G211 I212 | A136-L208 HydrophobicContact CB-CB 4.02Å; A136-L208 HydrophobicContact CB-CD1 4.36Å; A204-L208 WeakPolarHBondContact O-CG 3.35Å; A204-L208 PolarHBondContact O-N 3.33Å; A204-L208 VanDerWaalsContact O-N 3.15Å; F205-L208 HydrophobicContact CD1-CD1 3.82Å; F205-L208 HydrophobicContact CE1-CD1 4.18Å; F205-L208 PolarHBondContact O-N 3.18Å; L208-A210 VanDerWaalsContact C-N 3.26Å; L208-A210 PolarHBondContact O-N 2.91Å; L208-G211 PolarHBondContact O-N 3.48Å; L208-G211 VanDerWaalsContact O-N 3.07Å; L208-I212 HydrophobicContact CB-CD1 4.2Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.41Å; L208-I212 PolarHBondContact O-N 2.94Å |
| 209 | P | 95.7 | Very high | 94.1 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 12% | 0.123 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.5 | -37 | 177.1 | -30.5 | 37.8 | 0 | 0 | 0 | 114.4 | L133 A136 F205 L213 | L133-P209 HydrophobicContact CD1-CB 3.79Å; L133-P209 HydrophobicContact CD1-CG 4.43Å; A136-P209 HydrophobicContact CB-CG 4.31Å; F205-P209 VanDerWaalsContact O-CD 3.27Å; F205-P209 WeakPolarHBondContact O-CD 3.48Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 VanDerWaalsContact O-CG 3.25Å; P209-L213 WeakPolarHBondContact O-CG 3.3Å; P209-L213 PolarHBondContact O-N 3.34Å; P209-L213 VanDerWaalsContact O-N 3.12Å |
| 210 | A | 95.5 | Very high | 93.5 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 63% | 0.628 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.3 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A207 L208 G214 | A207-A210 PolarHBondContact O-N 2.99Å; A207-A210 VanDerWaalsContact O-N 3.09Å; L208-A210 VanDerWaalsContact C-N 3.26Å; L208-A210 PolarHBondContact O-N 2.91Å; A210-G214 PolarHBondContact O-N 3.36Å |
| 211 | G | 95.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A207 L208 G214 S215 | A207-G211 PolarHBondContact O-N 3.11Å; L208-G211 PolarHBondContact O-N 3.48Å; L208-G211 VanDerWaalsContact O-N 3.07Å; G211-G214 PolarHBondContact O-N 3.24Å; G211-S215 PolarHBondContact O-N 3.09Å; G211-S215 PolarHBondContact O-OG 3.25Å |
| 212 | I | 95.5 | Very high | 92 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 179.4 | -66 | 161 | 0 | 0 | 0 | 111 | H129 E132 A136 L208 S215 G216 | H129-I212 HydrophobicContact CB-CG2 3.65Å; E132-I212 HydrophobicContact CB-CD1 4.12Å; E132-I212 HydrophobicContact CB-CG2 4.28Å; A136-I212 HydrophobicContact CB-CD1 4.4Å; L208-I212 HydrophobicContact CB-CD1 4.2Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.41Å; L208-I212 PolarHBondContact O-N 2.94Å; I212-S215 PolarHBondContact O-OG 3.21Å; I212-G216 PolarHBondContact O-N 2.89Å |
| 213 | L | 95.6 | Very high | 90.9 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.199 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 176.3 | -66.8 | 176.5 | 0 | 0 | 0 | 111.6 | V125 V126 L133 P209 G216 F217 | V125-L213 HydrophobicContact CG1-CD2 3.89Å; V126-L213 HydrophobicContact CG2-CD2 3.74Å; L133-L213 HydrophobicContact CD1-CG 4.44Å; P209-L213 WeakPolarHBondContact O-CB 3.49Å; P209-L213 VanDerWaalsContact O-CG 3.25Å; P209-L213 WeakPolarHBondContact O-CG 3.3Å; P209-L213 PolarHBondContact O-N 3.34Å; P209-L213 VanDerWaalsContact O-N 3.12Å; L213-G216 PolarHBondContact O-N 3.2Å; L213-F217 WeakPolarHBondContact O-CB 3.46Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 3.19Å |
| 214 | G | 95.2 | Very high | 89.5 | Confident | 42 Ų | 42 | 62 Ų | 62 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A210 G211 F217 A218 | A210-G214 PolarHBondContact O-N 3.36Å; G211-G214 PolarHBondContact O-N 3.24Å; G214-F217 PolarHBondContact O-N 3.39Å; G214-A218 PolarHBondContact O-N 3.39Å |
| 215 | S | 93.8 | Very high | 88 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 41% | 0.413 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176 | 64 | 0 | 0 | 0 | 0 | 111.8 | G211 I212 F217 A218 L219 | G211-S215 PolarHBondContact O-N 3.09Å; G211-S215 PolarHBondContact O-OG 3.25Å; I212-S215 PolarHBondContact O-OG 3.21Å; S215-F217 VanDerWaalsContact C-N 3.34Å; S215-F217 PolarHBondContact O-N 3.07Å; S215-A218 PolarHBondContact O-N 3.09Å; S215-A218 VanDerWaalsContact O-N 3.15Å; S215-L219 WeakPolarHBondContact O-CB 3.39Å; S215-L219 WeakPolarHBondContact O-CG 3.27Å; S215-L219 PolarHBondContact O-N 3.25Å |
| 216 | G | 91.6 | Very high | 86.3 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I212 L213 K220 | I212-G216 PolarHBondContact O-N 2.89Å; L213-G216 PolarHBondContact O-N 3.2Å; G216-K220 WeakPolarHBondContact O-CB 3.36Å; G216-K220 PolarHBondContact O-N 2.95Å |
| 217 | F | 92.1 | Very high | 84.7 | Confident | 66 Ų | 66 | 70.1 Ų | 70.1 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 171.2 | -80.3 | -61.2 | 0 | 0 | 0 | 112.3 | L121 L122 V125 L213 G214 S215 K220 V221 | L121-F217 HydrophobicContact CD2-CD1 4.21Å; L121-F217 HydrophobicContact CD2-CE1 4Å; L121-F217 HydrophobicContact CG-CD1 4.37Å; L121-F217 HydrophobicContact CG-CE1 3.99Å; L122-F217 HydrophobicContact CB-CZ 4.23Å; L122-F217 HydrophobicContact CD1-CE2 4.22Å; L122-F217 HydrophobicContact CD1-CZ 3.78Å; V125-F217 HydrophobicContact CB-CE1 4.46Å; V125-F217 HydrophobicContact CG2-CD1 3.77Å; V125-F217 HydrophobicContact CG2-CE1 3.85Å; V125-F217 HydrophobicContact CG2-CG 4.32Å; V125-F217 HydrophobicContact CG2-CZ 4.47Å; L213-F217 WeakPolarHBondContact O-CB 3.46Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 3.19Å; G214-F217 PolarHBondContact O-N 3.39Å; S215-F217 VanDerWaalsContact C-N 3.34Å; S215-F217 PolarHBondContact O-N 3.07Å; F217-K220 PolarHBondContact O-N 3.32Å; F217-V221 WeakPolarHBondContact O-CG2 3.41Å; F217-V221 PolarHBondContact O-N 3.19Å |
| 218 | A | 88.9 | Confident | 82.9 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | G214 S215 K220 V221 Q222 | G214-A218 PolarHBondContact O-N 3.39Å; S215-A218 PolarHBondContact O-N 3.09Å; S215-A218 VanDerWaalsContact O-N 3.15Å; A218-K220 VanDerWaalsContact C-N 3.32Å; A218-K220 PolarHBondContact O-N 3.32Å; A218-V221 PolarHBondContact O-N 2.95Å; A218-Q222 PolarHBondContact O-N 2.84Å |
| 219 | L | 83.9 | Confident | 81 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 175.5 | -69.6 | 171.4 | 0 | 0 | 0 | 111.6 | S215 V221 Q222 E223 | S215-L219 WeakPolarHBondContact O-CB 3.39Å; S215-L219 WeakPolarHBondContact O-CG 3.27Å; S215-L219 PolarHBondContact O-N 3.25Å; L219-V221 PolarHBondContact O-N 3.42Å; L219-Q222 PolarHBondContact O-N 2.92Å; L219-E223 VanDerWaalsContact O-CB 3.3Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.09Å |
| 220 | K | 82 | Confident | 79.2 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.5 | -31.4 | 177.4 | -160.9 | 175.7 | -164.7 | 81.4 | 0 | 112.7 | L121 S124 V125 G216 F217 A218 Q224 | L121-K220 HydrophobicContact CD1-CD 3.82Å; L121-K220 HydrophobicContact CD1-CG 4.46Å; S124-K220 WeakPolarHBondContact OG-CE 3.39Å; S124-K220 PolarHBondContact OG-NZ 3.1Å; V125-K220 HydrophobicContact CG2-CB 4.46Å; V125-K220 HydrophobicContact CG2-CD 3.51Å; G216-K220 WeakPolarHBondContact O-CB 3.36Å; G216-K220 PolarHBondContact O-N 2.95Å; F217-K220 PolarHBondContact O-N 3.32Å; A218-K220 VanDerWaalsContact C-N 3.32Å; A218-K220 PolarHBondContact O-N 3.32Å; K220-Q224 VanDerWaalsContact O-CB 3.31Å; K220-Q224 WeakPolarHBondContact O-CB 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.29Å; K220-Q224 PolarHBondContact O-N 3.33Å |
| 221 | V | 80.8 | Confident | 77.7 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 58% | 0.576 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -71.1 | -40.3 | 172.5 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | F217 A218 L219 Q224 H225 | F217-V221 WeakPolarHBondContact O-CG2 3.41Å; F217-V221 PolarHBondContact O-N 3.19Å; A218-V221 PolarHBondContact O-N 2.95Å; L219-V221 PolarHBondContact O-N 3.42Å; V221-Q224 PolarHBondContact O-N 3.16Å; V221-H225 PolarHBondContact O-N 3.48Å |
| 222 | Q | 75.9 | Confident | 76.2 | Confident | 136 Ų | 136 | 82.3 Ų | 82.3 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 172.9 | -171.4 | 177.9 | 6.9 | 0 | 0 | 111.4 | A218 L219 H225 R226 | A218-Q222 PolarHBondContact O-N 2.84Å; L219-Q222 PolarHBondContact O-N 2.92Å; Q222-H225 VanDerWaalsContact O-CB 3.29Å; Q222-H225 WeakPolarHBondContact O-CB 3.22Å; Q222-H225 PolarHBondContact O-N 3.42Å; Q222-H225 VanDerWaalsContact O-N 3.14Å; Q222-R226 PolarHBondContact O-N 3.33Å |
| 223 | E | 71.3 | Confident | 75 | Confident | 55 Ų | 55 | 82.4 Ų | 82.4 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 174.5 | 178.9 | 54.6 | -155.3 | 0 | 0 | 112.1 | L219 H225 R226 Q227 | L219-E223 VanDerWaalsContact O-CB 3.3Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 PolarHBondContact O-N 3.09Å; E223-H225 VanDerWaalsContact C-N 3.27Å; E223-H225 PolarHBondContact O-N 2.99Å; E223-R226 CarbonylContact O-C 3.53Å; E223-R226 WeakPolarHBondContact O-CA 3.49Å; E223-R226 WeakPolarHBondContact O-CB 3.09Å; E223-R226 PolarHBondContact O-N 3.29Å; E223-R226 VanDerWaalsContact O-N 3.14Å; E223-R226 IonicContact OE1-NE 2.7Å; E223-R226 IonicContact OE1-NH2 3.92Å; E223-R226 PolarHBondContact OE1-NH2 3.45Å; E223-R226 IonicContact OE2-CZ 3.94Å; E223-R226 IonicContact OE2-NE 2.83Å; E223-R226 PolarHBondContact OE2-NE 3.11Å; E223-R226 IonicContact OE2-NH2 3.97Å; E223-R226 PolarHBondContact OE2-NH2 3.22Å; E223-Q227 WeakPolarHBondContact O-CB 3.38Å; E223-Q227 VanDerWaalsContact O-CG 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.43Å; E223-Q227 PolarHBondContact O-N 3.48Å; E223-Q227 PolarHBondContact OE1-NE2 3.25Å |
| 224 | Q | 67.1 | Low | 74.3 | Confident | 103 Ų | 103 | 88 Ų | 88 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -34.1 | 170.7 | -73.7 | -96.1 | -86.3 | 0 | 0 | 111.9 | K220 V221 Q227 K228 | K220-Q224 VanDerWaalsContact O-CB 3.31Å; K220-Q224 WeakPolarHBondContact O-CB 3.25Å; K220-Q224 WeakPolarHBondContact O-CG 3.29Å; K220-Q224 PolarHBondContact O-N 3.33Å; V221-Q224 PolarHBondContact O-N 3.16Å; Q224-Q227 PolarHBondContact O-N 3.07Å; Q224-K228 PolarHBondContact O-N 2.9Å; Q224-K228 VanDerWaalsContact O-N 3.14Å |
| 225 | H | 64.9 | Low | 73.6 | Confident | 117 Ų | 117 | 91.7 Ų | 91.7 | 54% | 0.542 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -45 | 171.6 | -163 | -90.8 | 0 | 0 | 0 | 111.2 | V221 Q222 E223 Q227 K228 | V221-H225 PolarHBondContact O-N 3.48Å; Q222-H225 VanDerWaalsContact O-CB 3.29Å; Q222-H225 WeakPolarHBondContact O-CB 3.22Å; Q222-H225 PolarHBondContact O-N 3.42Å; Q222-H225 VanDerWaalsContact O-N 3.14Å; E223-H225 VanDerWaalsContact C-N 3.27Å; E223-H225 PolarHBondContact O-N 2.99Å; H225-Q227 VanDerWaalsContact C-N 3.29Å; H225-Q227 PolarHBondContact O-N 3.08Å; H225-K228 WeakPolarHBondContact O-CB 3.4Å; H225-K228 PolarHBondContact O-N 2.79Å; H225-K228 VanDerWaalsContact O-N 3.17Å |
| 226 | R | 58.9 | Low | 73.2 | Confident | 161 Ų | 161 | 90.8 Ų | 90.8 | 61% | 0.608 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.2 | -38 | 172.4 | -162.8 | 166 | 68.7 | 146.4 | 1.2 | 111.6 | Q222 E223 K228 H229 | Q222-R226 PolarHBondContact O-N 3.33Å; E223-R226 CarbonylContact O-C 3.53Å; E223-R226 WeakPolarHBondContact O-CA 3.49Å; E223-R226 WeakPolarHBondContact O-CB 3.09Å; E223-R226 PolarHBondContact O-N 3.29Å; E223-R226 VanDerWaalsContact O-N 3.14Å; E223-R226 IonicContact OE1-NE 2.7Å; E223-R226 IonicContact OE1-NH2 3.92Å; E223-R226 PolarHBondContact OE1-NH2 3.45Å; E223-R226 IonicContact OE2-CZ 3.94Å; E223-R226 IonicContact OE2-NE 2.83Å; E223-R226 PolarHBondContact OE2-NE 3.11Å; E223-R226 IonicContact OE2-NH2 3.97Å; E223-R226 PolarHBondContact OE2-NH2 3.22Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 PolarHBondContact O-N 3.06Å; R226-H229 WeakPolarHBondContact O-CB 3.02Å; R226-H229 PolarHBondContact O-N 2.95Å |
| 227 | Q | 61.2 | Low | 73.1 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.5 | -14.4 | 177.3 | -70.4 | 169.9 | 5.4 | 0 | 0 | 114.5 | E223 Q224 H225 H229 F230 E231 | E223-Q227 WeakPolarHBondContact O-CB 3.38Å; E223-Q227 VanDerWaalsContact O-CG 3.28Å; E223-Q227 WeakPolarHBondContact O-CG 3.43Å; E223-Q227 PolarHBondContact O-N 3.48Å; E223-Q227 PolarHBondContact OE1-NE2 3.25Å; Q224-Q227 PolarHBondContact O-N 3.07Å; H225-Q227 VanDerWaalsContact C-N 3.29Å; H225-Q227 PolarHBondContact O-N 3.08Å; Q227-H229 PolarHBondContact O-N 2.8Å; Q227-F230 WeakPolarHBondContact O-CA 3.43Å; Q227-F230 VanDerWaalsContact O-CB 3.31Å; Q227-F230 WeakPolarHBondContact O-CB 3.43Å; Q227-F230 PolarHBondContact O-N 2.87Å; Q227-E231 PolarHBondContact O-N 3.33Å |
| 228 | K | 59 | Low | 73 | Confident | 129 Ų | 129 | 90.9 Ų | 90.9 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.8 | -22.3 | 164.4 | -66.1 | 179.5 | -177.7 | 176.9 | 0 | 111.9 | Q224 H225 R226 F230 E231 | Q224-K228 PolarHBondContact O-N 2.9Å; Q224-K228 VanDerWaalsContact O-N 3.14Å; H225-K228 WeakPolarHBondContact O-CB 3.4Å; H225-K228 PolarHBondContact O-N 2.79Å; H225-K228 VanDerWaalsContact O-N 3.17Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 PolarHBondContact O-N 3.06Å; K228-F230 VanDerWaalsContact C-N 3.32Å; K228-E231 PolarHBondContact O-N 3.32Å |
| 229 | H | 57 | Low | 73.1 | Confident | 56 Ų | 56 | 89.3 Ų | 89.3 | 26% | 0.259 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -75.3 | -19.9 | 170.5 | -63.6 | -132.4 | 0 | 0 | 0 | 112.3 | R226 Q227 K232 Y424 | R226-H229 WeakPolarHBondContact O-CB 3.02Å; R226-H229 PolarHBondContact O-N 2.95Å; Q227-H229 PolarHBondContact O-N 2.8Å; H229-K232 WeakPolarHBondContact O-CB 3.48Å; H229-Y424 HydrophobicContact CB-CD2 3.96Å; H229-Y424 HydrophobicContact CB-CE2 3.77Å; H229-Y424 AromaticContact CG-CE2 3.81Å; H229-Y424 AromaticContact ND1-CD2 3.38Å; H229-Y424 WeakPolarHBondContact ND1-CD2 3.31Å; H229-Y424 AromaticContact ND1-CE2 3.09Å; H229-Y424 WeakPolarHBondContact ND1-CE2 3.31Å; H229-Y424 AromaticContact ND1-CZ 3.59Å |
| 230 | F | 57.1 | Low | 73.5 | Confident | 114 Ų | 114 | 86 Ų | 86 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.8 | -33 | 169.6 | -88 | -105.6 | 0 | 0 | 0 | 112.5 | Q227 K228 K232 R233 | Q227-F230 WeakPolarHBondContact O-CA 3.43Å; Q227-F230 VanDerWaalsContact O-CB 3.31Å; Q227-F230 WeakPolarHBondContact O-CB 3.43Å; Q227-F230 PolarHBondContact O-N 2.87Å; K228-F230 VanDerWaalsContact C-N 3.32Å; F230-K232 PolarHBondContact O-N 2.95Å; F230-R233 VanDerWaalsContact CZ-NH1 3.34Å; F230-R233 WeakPolarHBondContact O-CA 3.34Å; F230-R233 WeakPolarHBondContact O-CB 3.06Å; F230-R233 PolarHBondContact O-N 3.14Å |
| 231 | E | 63.2 | Low | 74.1 | Confident | 116 Ų | 116 | 89.1 Ų | 89.1 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -31.4 | 172.2 | -76.2 | -153.6 | 100.7 | 0 | 0 | 112.4 | Q227 K228 R233 R234 | Q227-E231 PolarHBondContact O-N 3.33Å; K228-E231 PolarHBondContact O-N 3.32Å; E231-R233 PolarHBondContact O-N 3.05Å; E231-R234 VanDerWaalsContact O-CB 3.31Å; E231-R234 WeakPolarHBondContact O-CB 3.25Å; E231-R234 PolarHBondContact O-N 3.21Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 IonicContact OE1-CZ 3.6Å; E231-R234 IonicContact OE1-NH1 3.42Å; E231-R234 PolarHBondContact OE1-NH1 3.33Å; E231-R234 IonicContact OE1-NH2 3.65Å |
| 232 | K | 65.2 | Low | 74.6 | Confident | 121 Ų | 121 | 89.7 Ų | 89.7 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.1 | -28.7 | 171.1 | -58 | -179.2 | -177.6 | 173.6 | 0 | 112.5 | H229 F230 R234 P236 | H229-K232 WeakPolarHBondContact O-CB 3.48Å; F230-K232 PolarHBondContact O-N 2.95Å; K232-R234 VanDerWaalsContact C-N 3.34Å; K232-P236 WeakPolarHBondContact O-CD 3.48Å |
| 233 | R | 70.1 | Confident | 75.1 | Confident | 25 Ų | 25 | 83.7 Ų | 83.7 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.1 | -20.6 | 178.1 | -49.1 | 174.7 | -175.8 | -134.9 | -24.7 | 113.2 | F230 E231 N235 P236 A237 S420 L421 R422 | F230-R233 VanDerWaalsContact CZ-NH1 3.34Å; F230-R233 WeakPolarHBondContact O-CA 3.34Å; F230-R233 WeakPolarHBondContact O-CB 3.06Å; F230-R233 PolarHBondContact O-N 3.14Å; E231-R233 PolarHBondContact O-N 3.05Å; R233-N235 VanDerWaalsContact C-N 3.25Å; R233-N235 PolarHBondContact O-N 3.17Å; R233-P236 WeakPolarHBondContact O-CD 3.43Å; R233-A237 PolarHBondContact O-N 3.4Å; R233-S420 WeakPolarHBondContact CD-O 3.47Å; R233-S420 VanDerWaalsContact CG-O 3.25Å; R233-S420 WeakPolarHBondContact CG-O 3.07Å; R233-S420 PolarHBondContact NE-O 3.39Å; R233-S420 PolarHBondContact NH1-O 3.14Å; R233-S420 PolarHBondContact NH2-O 3.3Å; R233-L421 VanDerWaalsContact NH1-C 3.35Å; R233-L421 PolarHBondContact NH1-O 3.14Å; R233-R422 PolarHBondContact NH2-O 2.99Å |
| 234 | R | 80.4 | Confident | 76.1 | Confident | 155 Ų | 155 | 82.7 Ų | 82.7 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65 | -29.9 | -179.2 | -158.4 | 172.5 | 72 | -139.9 | -2.2 | 112.3 | E231 K232 A238 | E231-R234 VanDerWaalsContact O-CB 3.31Å; E231-R234 WeakPolarHBondContact O-CB 3.25Å; E231-R234 PolarHBondContact O-N 3.21Å; E231-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 IonicContact OE1-CZ 3.6Å; E231-R234 IonicContact OE1-NH1 3.42Å; E231-R234 PolarHBondContact OE1-NH1 3.33Å; E231-R234 IonicContact OE1-NH2 3.65Å; K232-R234 VanDerWaalsContact C-N 3.34Å; R234-A238 WeakPolarHBondContact O-CB 3.36Å; R234-A238 PolarHBondContact O-N 3.14Å |
| 235 | N | 82.1 | Confident | 77.1 | Confident | 121 Ų | 121 | 84.5 Ų | 84.5 | 65% | 0.647 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -73.9 | -48.9 | 177.1 | -68.5 | -11.7 | 0 | 0 | 0 | 112.5 | R233 A237 A238 G239 | R233-N235 VanDerWaalsContact C-N 3.25Å; R233-N235 PolarHBondContact O-N 3.17Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 2.79Å; N235-A238 PolarHBondContact O-N 2.69Å; N235-G239 PolarHBondContact O-N 3.05Å |
| 236 | P | 84.9 | Confident | 78.1 | Confident | 39 Ų | 39 | 83.2 Ų | 83.2 | 25% | 0.253 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -51.5 | -44.1 | 165.8 | -30.6 | 35.1 | 0 | 0 | 0 | 114.2 | K232 R233 G239 L240 F417 | K232-P236 WeakPolarHBondContact O-CD 3.48Å; R233-P236 WeakPolarHBondContact O-CD 3.43Å; P236-G239 PolarHBondContact O-N 3.44Å; P236-L240 PolarHBondContact O-N 2.85Å; P236-F417 HydrophobicContact CB-CD2 4.49Å |
| 237 | A | 88.8 | Confident | 79.4 | Confident | 27 Ų | 27 | 79.1 Ų | 79.1 | 22% | 0.223 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | R233 N235 G239 L240 I241 F417 | R233-A237 PolarHBondContact O-N 3.4Å; N235-A237 VanDerWaalsContact C-N 3.32Å; N235-A237 PolarHBondContact O-N 2.79Å; A237-G239 VanDerWaalsContact C-N 3.32Å; A237-G239 PolarHBondContact O-N 2.82Å; A237-L240 PolarHBondContact O-N 3.24Å; A237-I241 WeakPolarHBondContact O-CG1 3.38Å; A237-I241 PolarHBondContact O-N 3.4Å; A237-F417 HydrophobicContact CB-CD2 4.04Å; A237-F417 HydrophobicContact CB-CE2 3.75Å |
| 238 | A | 91.2 | Very high | 80.5 | Confident | 45 Ų | 45 | 81.6 Ų | 81.6 | 37% | 0.372 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R234 N235 I241 Q242 | R234-A238 WeakPolarHBondContact O-CB 3.36Å; R234-A238 PolarHBondContact O-N 3.14Å; N235-A238 PolarHBondContact O-N 2.69Å; A238-I241 PolarHBondContact O-N 2.94Å; A238-Q242 WeakPolarHBondContact O-CB 3.38Å; A238-Q242 WeakPolarHBondContact O-CG 3.26Å; A238-Q242 PolarHBondContact O-N 3.06Å |
| 239 | G | 89.9 | Confident | 81.7 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N235 P236 A237 A243 | N235-G239 PolarHBondContact O-N 3.05Å; P236-G239 PolarHBondContact O-N 3.44Å; A237-G239 VanDerWaalsContact C-N 3.32Å; A237-G239 PolarHBondContact O-N 2.82Å; G239-A243 VanDerWaalsContact O-CB 3.29Å; G239-A243 WeakPolarHBondContact O-CB 3.34Å; G239-A243 PolarHBondContact O-N 2.86Å |
| 240 | L | 93.4 | Very high | 82.7 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 16% | 0.157 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 174.9 | 175.3 | 57.5 | 0 | 0 | 0 | 111.9 | P236 A237 Q242 A243 A244 F410 K414 F417 | P236-L240 PolarHBondContact O-N 2.85Å; A237-L240 PolarHBondContact O-N 3.24Å; L240-Q242 VanDerWaalsContact C-N 3.32Å; L240-Q242 PolarHBondContact O-N 3.05Å; L240-A243 PolarHBondContact O-N 2.72Å; L240-A244 WeakPolarHBondContact O-CB 3.44Å; L240-A244 PolarHBondContact O-N 3.01Å; L240-F410 HydrophobicContact CD1-CD2 3.99Å; L240-F410 HydrophobicContact CD1-CE2 3.75Å; L240-K414 HydrophobicContact CD1-CB 3.96Å; L240-F417 HydrophobicContact CB-CB 4.32Å; L240-F417 HydrophobicContact CD2-CB 3.78Å; L240-F417 HydrophobicContact CD2-CD1 3.38Å; L240-F417 HydrophobicContact CD2-CE1 4.1Å; L240-F417 HydrophobicContact CD2-CG 3.67Å |
| 241 | I | 92.9 | Very high | 83.8 | Confident | 124 Ų | 124 | 69.8 Ų | 69.8 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.4 | -45.5 | 178.8 | -65.6 | 164.7 | 0 | 0 | 0 | 110.4 | A237 A238 A244 W245 | A237-I241 WeakPolarHBondContact O-CG1 3.38Å; A237-I241 PolarHBondContact O-N 3.4Å; A238-I241 PolarHBondContact O-N 2.94Å; I241-A244 PolarHBondContact O-N 3.05Å; I241-W245 PolarHBondContact O-N 3.33Å |
| 242 | Q | 91.1 | Very high | 84.1 | Confident | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 176.2 | -75 | -171.5 | 31.1 | 0 | 0 | 113.3 | A238 L240 R246 | A238-Q242 WeakPolarHBondContact O-CB 3.38Å; A238-Q242 WeakPolarHBondContact O-CG 3.26Å; A238-Q242 PolarHBondContact O-N 3.06Å; L240-Q242 VanDerWaalsContact C-N 3.32Å; L240-Q242 PolarHBondContact O-N 3.05Å; Q242-R246 WeakPolarHBondContact O-CG 3.38Å; Q242-R246 PolarHBondContact O-N 3.42Å |
| 243 | A | 88.3 | Confident | 84.4 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.9 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G239 L240 R246 F247 F410 | G239-A243 VanDerWaalsContact O-CB 3.29Å; G239-A243 WeakPolarHBondContact O-CB 3.34Å; G239-A243 PolarHBondContact O-N 2.86Å; L240-A243 PolarHBondContact O-N 2.72Å; A243-R246 PolarHBondContact O-N 2.96Å; A243-F247 WeakPolarHBondContact O-CB 3.38Å; A243-F247 PolarHBondContact O-N 3.04Å; A243-F410 HydrophobicContact CB-CB 4.38Å |
| 244 | A | 90.8 | Very high | 84.2 | Confident | 34 Ų | 34 | 71.9 Ų | 71.9 | 28% | 0.281 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L240 I241 F247 Y248 F410 | L240-A244 WeakPolarHBondContact O-CB 3.44Å; L240-A244 PolarHBondContact O-N 3.01Å; I241-A244 PolarHBondContact O-N 3.05Å; A244-F247 PolarHBondContact O-N 3.2Å; A244-Y248 WeakPolarHBondContact O-CB 3.29Å; A244-Y248 PolarHBondContact O-N 3.5Å; A244-F410 HydrophobicContact CB-CD2 3.98Å; A244-F410 HydrophobicContact CB-CE2 3.82Å |
| 245 | W | 89.5 | Confident | 83.4 | Confident | 140 Ų | 140 | 69.7 Ų | 69.7 | 53% | 0.53 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.4 | -173.9 | 85.8 | 0 | 0 | 0 | 112.2 | I241 Y248 A249 T260 | I241-W245 PolarHBondContact O-N 3.33Å; W245-Y248 WeakPolarHBondContact O-CB 3.31Å; W245-Y248 PolarHBondContact O-N 3.03Å; W245-A249 WeakPolarHBondContact O-CB 3.17Å; W245-A249 PolarHBondContact O-N 3.17Å; W245-T260 HydrophobicContact CH2-CG2 4.41Å; W245-T260 WeakPolarHBondContact CH2-OG1 3.49Å; W245-T260 HydrophobicContact CZ3-CG2 3.95Å |
| 246 | R | 85.2 | Confident | 82.6 | Confident | 90 Ų | 90 | 70.4 Ų | 70.4 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.7 | -73.7 | 179.3 | 177.5 | 107.5 | -0.8 | 112.1 | Q242 A243 A249 T250 | Q242-R246 WeakPolarHBondContact O-CG 3.38Å; Q242-R246 PolarHBondContact O-N 3.42Å; A243-R246 PolarHBondContact O-N 2.96Å; R246-A249 PolarHBondContact O-N 3.37Å; R246-T250 WeakPolarHBondContact O-CG2 3.34Å; R246-T250 PolarHBondContact O-N 2.88Å; R246-T250 PolarHBondContact O-OG1 2.76Å |
| 247 | F | 86 | Confident | 81.9 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.3 | -49.1 | 173 | 164.2 | -114.6 | 0 | 0 | 0 | 111.8 | A243 A244 A249 T250 V407 F410 | A243-F247 WeakPolarHBondContact O-CB 3.38Å; A243-F247 PolarHBondContact O-N 3.04Å; A244-F247 PolarHBondContact O-N 3.2Å; F247-A249 VanDerWaalsContact C-N 3.33Å; F247-A249 PolarHBondContact O-N 3.42Å; F247-T250 PolarHBondContact O-N 2.84Å; F247-T250 PolarHBondContact O-OG1 2.62Å; F247-V407 HydrophobicContact CD2-CG2 3.65Å; F247-V407 HydrophobicContact CE2-CG2 3.62Å; F247-F410 HydrophobicContact CB-CB 4.23Å; F247-F410 HydrophobicContact CB-CG 4.45Å; F247-F410 HydrophobicContact CD1-CD1 4.48Å |
| 248 | Y | 85.1 | Confident | 80.8 | Confident | 129 Ų | 129 | 74.4 Ų | 74.4 | 51% | 0.506 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 177 | -176.7 | -93.1 | 0 | 0 | 0 | 112.7 | A244 W245 N251 R254 L257 | A244-Y248 WeakPolarHBondContact O-CB 3.29Å; A244-Y248 PolarHBondContact O-N 3.5Å; W245-Y248 WeakPolarHBondContact O-CB 3.31Å; W245-Y248 PolarHBondContact O-N 3.03Å; Y248-N251 WeakPolarHBondContact O-CB 3.48Å; Y248-R254 PolarHBondContact OH-NH1 3.03Å; Y248-L257 HydrophobicContact CD1-CD2 4.48Å |
| 249 | A | 83 | Confident | 79.6 | Confident | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.008 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72 | -30.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W245 R246 F247 N251 L257 T260 | W245-A249 WeakPolarHBondContact O-CB 3.17Å; W245-A249 PolarHBondContact O-N 3.17Å; R246-A249 PolarHBondContact O-N 3.37Å; F247-A249 VanDerWaalsContact C-N 3.33Å; F247-A249 PolarHBondContact O-N 3.42Å; A249-N251 PolarHBondContact O-N 2.95Å; A249-N251 VanDerWaalsContact O-N 3.08Å; A249-L257 HydrophobicContact CB-CB 4.48Å; A249-L257 HydrophobicContact CB-CD2 3.75Å; A249-T260 HydrophobicContact CB-CG2 3.79Å; A249-T260 WeakPolarHBondContact CB-OG1 3.14Å |
| 250 | T | 77.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 19.7 | 174.3 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | R246 F247 L252 W261 Y264 R403 C406 | R246-T250 WeakPolarHBondContact O-CG2 3.34Å; R246-T250 PolarHBondContact O-N 2.88Å; R246-T250 PolarHBondContact O-OG1 2.76Å; F247-T250 PolarHBondContact O-N 2.84Å; F247-T250 PolarHBondContact O-OG1 2.62Å; T250-L252 PolarHBondContact O-N 3.01Å; T250-W261 HydrophobicContact CG2-CH2 4.39Å; T250-W261 HydrophobicContact CG2-CZ2 4.28Å; T250-Y264 HydrophobicContact CG2-CE2 4.34Å; T250-R403 VanDerWaalsContact O-CD 3.31Å; T250-R403 WeakPolarHBondContact O-CD 3.46Å; T250-R403 WeakPolarHBondContact O-CG 3.29Å; T250-C406 HydrophobicContact CG2-CB 4.27Å |
| 251 | N | 80.3 | Confident | 77.7 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 27% | 0.267 | 39% | 0.386 | S | S | . | . | trans | -82.5 | 115.6 | 179.4 | -167.6 | 10.6 | 0 | 0 | 0 | 111.5 | Y248 A249 S253 R254 R403 | Y248-N251 WeakPolarHBondContact O-CB 3.48Å; A249-N251 PolarHBondContact O-N 2.95Å; A249-N251 VanDerWaalsContact O-N 3.08Å; N251-S253 PolarHBondContact ND2-OG 3.23Å; N251-S253 PolarHBondContact O-N 2.93Å; N251-R254 PolarHBondContact O-N 3.29Å; N251-R403 PolarHBondContact OD1-NH2 2.98Å | ||
| 252 | L | 69.8 | Low | 76.8 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.1 | -172.7 | -150.1 | 73.7 | 0 | 0 | 0 | 114.6 | T250 R254 K399 | T250-L252 PolarHBondContact O-N 3.01Å; L252-R254 VanDerWaalsContact C-N 3.34Å; L252-K399 HydrophobicContact CD1-CB 4.38Å |
| 253 | S | 71.1 | Confident | 76.1 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 4.3 | 174.3 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | N251 | N251-S253 PolarHBondContact ND2-OG 3.23Å; N251-S253 PolarHBondContact O-N 2.93Å |
| 254 | R | 66.1 | Low | 75.4 | Confident | 109 Ų | 109 | 74.5 Ų | 74.5 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | trans | -134.6 | 91.6 | 175.4 | -70.7 | -168 | -179.4 | -178.3 | 2.7 | 111.5 | Y248 N251 L252 D256 | Y248-R254 PolarHBondContact OH-NH1 3.03Å; N251-R254 PolarHBondContact O-N 3.29Å; L252-R254 VanDerWaalsContact C-N 3.34Å; R254-D256 PolarHBondContact O-N 3.17Å | ||
| 255 | T | 64 | Low | 74.5 | Confident | 109 Ų | 109 | 75.9 Ų | 75.9 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -14.6 | 171.8 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | L257 L258 | T255-L257 PolarHBondContact O-N 3.18Å; T255-L257 VanDerWaalsContact O-N 3.09Å; T255-L258 WeakPolarHBondContact O-CD2 3.3Å |
| 256 | D | 64.8 | Low | 73.6 | Confident | 136 Ų | 136 | 76 Ų | 76 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.9 | -177.9 | -52.7 | -64.3 | 0 | 0 | 0 | 115.1 | R254 L258 | R254-D256 PolarHBondContact O-N 3.17Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-L258 PolarHBondContact O-N 3.24Å |
| 257 | L | 71.8 | Confident | 72.8 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | trans | -96.3 | 43.6 | -175.2 | -88.5 | 72.6 | 0 | 0 | 0 | 113.1 | Y248 A249 T255 C259 T260 | Y248-L257 HydrophobicContact CD1-CD2 4.48Å; A249-L257 HydrophobicContact CB-CB 4.48Å; A249-L257 HydrophobicContact CB-CD2 3.75Å; T255-L257 PolarHBondContact O-N 3.18Å; T255-L257 VanDerWaalsContact O-N 3.09Å; L257-C259 VanDerWaalsContact C-N 3.3Å; L257-C259 PolarHBondContact O-N 3.04Å; L257-C259 VanDerWaalsContact O-N 3.16Å; L257-T260 PolarHBondContact O-N 3.4Å; L257-T260 VanDerWaalsContact O-N 3.12Å; L257-T260 PolarHBondContact O-OG1 3.29Å | ||
| 258 | L | 65.9 | Low | 71.6 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 56% | 0.56 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -42.7 | -49.5 | -178 | -62.7 | 176.2 | 0 | 0 | 0 | 113.4 | T255 D256 T260 W261 D262 | T255-L258 WeakPolarHBondContact O-CD2 3.3Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-L258 PolarHBondContact O-N 3.24Å; L258-T260 PolarHBondContact O-N 3.31Å; L258-W261 CarbonylContact O-C 3.58Å; L258-W261 WeakPolarHBondContact O-CA 3.28Å; L258-W261 WeakPolarHBondContact O-CB 3.39Å; L258-W261 PolarHBondContact O-N 3Å; L258-D262 VanDerWaalsContact O-CG 3.22Å; L258-D262 PolarHBondContact O-N 3.18Å; L258-D262 VanDerWaalsContact O-OD1 3.1Å |
| 259 | C | 66.1 | Low | 70.1 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -51.4 | -20.1 | -176.8 | -41.9 | 0 | 0 | 0 | 0 | 115.9 | L257 D262 | L257-C259 VanDerWaalsContact C-N 3.3Å; L257-C259 PolarHBondContact O-N 3.04Å; L257-C259 VanDerWaalsContact O-N 3.16Å; C259-D262 VanDerWaalsContact CA-OD2 3.28Å; C259-D262 WeakPolarHBondContact CA-OD2 3.24Å; C259-D262 PolarHBondContact N-OD2 3.44Å |
| 260 | T | 70.1 | Confident | 68.5 | Low | 7 Ų | 7 | 74.7 Ų | 74.7 | 4% | 0.043 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -90.6 | -33.4 | 176.7 | -33.6 | 0 | 0 | 0 | 0 | 112.1 | W245 A249 L257 L258 Y264 | W245-T260 HydrophobicContact CH2-CG2 4.41Å; W245-T260 WeakPolarHBondContact CH2-OG1 3.49Å; W245-T260 HydrophobicContact CZ3-CG2 3.95Å; A249-T260 HydrophobicContact CB-CG2 3.79Å; A249-T260 WeakPolarHBondContact CB-OG1 3.14Å; L257-T260 PolarHBondContact O-N 3.4Å; L257-T260 VanDerWaalsContact O-N 3.12Å; L257-T260 PolarHBondContact O-OG1 3.29Å; L258-T260 PolarHBondContact O-N 3.31Å; T260-Y264 HydrophobicContact CG2-CE2 4.43Å; T260-Y264 WeakPolarHBondContact O-CD2 3.43Å |
| 261 | W | 72.8 | Confident | 66.9 | Low | 23 Ų | 23 | 78.6 Ų | 78.6 | 9% | 0.087 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.9 | -41.1 | 172.2 | -67.6 | 101.5 | 0 | 0 | 0 | 110.8 | T250 L258 F263 Y264 E265 K399 V402 | T250-W261 HydrophobicContact CG2-CH2 4.39Å; T250-W261 HydrophobicContact CG2-CZ2 4.28Å; L258-W261 CarbonylContact O-C 3.58Å; L258-W261 WeakPolarHBondContact O-CA 3.28Å; L258-W261 WeakPolarHBondContact O-CB 3.39Å; L258-W261 PolarHBondContact O-N 3Å; W261-F263 PolarHBondContact O-N 3.32Å; W261-F263 VanDerWaalsContact O-N 3.15Å; W261-Y264 CarbonylContact O-C 3.53Å; W261-Y264 WeakPolarHBondContact O-CA 3.27Å; W261-Y264 PolarHBondContact O-N 2.86Å; W261-E265 PolarHBondContact O-N 3.2Å; W261-K399 HydrophobicContact CH2-CB 4.08Å; W261-K399 HydrophobicContact CZ3-CB 3.93Å; W261-K399 HydrophobicContact CZ3-CG 4.03Å; W261-V402 HydrophobicContact CZ3-CB 4.36Å; W261-V402 HydrophobicContact CZ3-CG1 4.11Å |
| 262 | D | 74.1 | Confident | 64.8 | Low | 81 Ų | 81 | 82.4 Ų | 82.4 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -48.9 | -42.7 | 172 | -56.1 | -12.5 | 0 | 0 | 0 | 111.7 | L258 C259 E265 Q266 | L258-D262 VanDerWaalsContact O-CG 3.22Å; L258-D262 PolarHBondContact O-N 3.18Å; L258-D262 VanDerWaalsContact O-OD1 3.1Å; C259-D262 VanDerWaalsContact CA-OD2 3.28Å; C259-D262 WeakPolarHBondContact CA-OD2 3.24Å; C259-D262 PolarHBondContact N-OD2 3.44Å; D262-E265 PolarHBondContact O-N 3.23Å; D262-Q266 VanDerWaalsContact O-CB 3.22Å; D262-Q266 WeakPolarHBondContact O-CB 3.32Å; D262-Q266 PolarHBondContact O-N 3.26Å |
| 263 | F | 76.3 | Confident | 63.4 | Low | 104 Ų | 104 | 84 Ų | 84 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.5 | 171.7 | -95.1 | 0 | 0 | 0 | 112.7 | W261 T267 | W261-F263 PolarHBondContact O-N 3.32Å; W261-F263 VanDerWaalsContact O-N 3.15Å; F263-T267 VanDerWaalsContact O-CB 3.24Å; F263-T267 WeakPolarHBondContact O-CB 3.46Å; F263-T267 PolarHBondContact O-N 3.22Å; F263-T267 PolarHBondContact O-OG1 3.12Å |
| 264 | Y | 72.9 | Confident | 61.6 | Low | 27 Ų | 27 | 89.9 Ų | 89.9 | 11% | 0.106 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -74.4 | -39.5 | 177 | -72.7 | -67.1 | 0 | 0 | 0 | 111.8 | T250 T260 W261 T267 V268 V402 C406 | T250-Y264 HydrophobicContact CG2-CE2 4.34Å; T260-Y264 HydrophobicContact CG2-CE2 4.43Å; T260-Y264 WeakPolarHBondContact O-CD2 3.43Å; W261-Y264 CarbonylContact O-C 3.53Å; W261-Y264 WeakPolarHBondContact O-CA 3.27Å; W261-Y264 PolarHBondContact O-N 2.86Å; Y264-T267 PolarHBondContact O-N 2.97Å; Y264-V268 VanDerWaalsContact O-CB 3.22Å; Y264-V268 WeakPolarHBondContact O-CB 3.4Å; Y264-V268 WeakPolarHBondContact O-CG2 3.15Å; Y264-V268 PolarHBondContact O-N 3.18Å; Y264-V402 HydrophobicContact CD1-CG1 3.88Å; Y264-V402 HydrophobicContact CD2-CG1 3.76Å; Y264-V402 HydrophobicContact CE1-CG1 4.14Å; Y264-V402 HydrophobicContact CE2-CG1 4.05Å; Y264-V402 HydrophobicContact CG-CG1 3.7Å; Y264-C406 PolarHBondContact OH-SG 3.08Å |
| 265 | E | 73 | Confident | 60.3 | Low | 62 Ų | 62 | 90.3 Ų | 90.3 | 29% | 0.29 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 174.5 | -81.9 | 166.4 | -166.6 | 0 | 0 | 110.7 | W261 D262 T267 V268 A269 L394 | W261-E265 PolarHBondContact O-N 3.2Å; D262-E265 PolarHBondContact O-N 3.23Å; E265-T267 PolarHBondContact O-N 2.86Å; E265-V268 PolarHBondContact O-N 3.43Å; E265-A269 WeakPolarHBondContact O-CB 2.95Å; E265-A269 PolarHBondContact O-N 2.82Å; E265-L394 HydrophobicContact CB-CD1 4.47Å; E265-L394 HydrophobicContact CG-CD1 3.61Å |
| 266 | Q | 70.1 | Confident | 58.7 | Low | 143 Ų | 143 | 92.5 Ų | 92.5 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 174.1 | -165.9 | 172.2 | 47.4 | 0 | 0 | 112.5 | D262 V270 | D262-Q266 VanDerWaalsContact O-CB 3.22Å; D262-Q266 WeakPolarHBondContact O-CB 3.32Å; D262-Q266 PolarHBondContact O-N 3.26Å; Q266-V270 VanDerWaalsContact O-CG2 3.24Å; Q266-V270 WeakPolarHBondContact O-CG2 3.42Å; Q266-V270 PolarHBondContact O-N 2.91Å |
| 267 | T | 67.3 | Low | 57.1 | Low | 75 Ų | 75 | 94.1 Ų | 94.1 | 46% | 0.46 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.2 | -29.3 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | F263 Y264 E265 P271 | F263-T267 VanDerWaalsContact O-CB 3.24Å; F263-T267 WeakPolarHBondContact O-CB 3.46Å; F263-T267 PolarHBondContact O-N 3.22Å; F263-T267 PolarHBondContact O-OG1 3.12Å; Y264-T267 PolarHBondContact O-N 2.97Å; E265-T267 PolarHBondContact O-N 2.86Å; T267-P271 WeakPolarHBondContact O-CD 3.46Å |
| 268 | V | 61.3 | Low | 55.3 | Low | 58 Ų | 58 | 96.5 Ų | 96.5 | 35% | 0.352 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -91.7 | -19.6 | -179.4 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | Y264 E265 P271 L394 L398 | Y264-V268 VanDerWaalsContact O-CB 3.22Å; Y264-V268 WeakPolarHBondContact O-CB 3.4Å; Y264-V268 WeakPolarHBondContact O-CG2 3.15Å; Y264-V268 PolarHBondContact O-N 3.18Å; E265-V268 PolarHBondContact O-N 3.43Å; V268-P271 WeakPolarHBondContact O-CD 3.35Å; V268-L394 HydrophobicContact CB-CD1 4.32Å; V268-L394 HydrophobicContact CG1-CD1 4.06Å; V268-L398 HydrophobicContact CG1-CD2 4.15Å |
| 269 | A | 54.8 | Low | 53.9 | Low | 39 Ų | 39 | 99.2 Ų | 99.2 | 32% | 0.322 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -76.6 | -42.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E265 M272 Y273 | E265-A269 WeakPolarHBondContact O-CB 2.95Å; E265-A269 PolarHBondContact O-N 2.82Å; A269-M272 PolarHBondContact O-N 3.03Å; A269-M272 VanDerWaalsContact O-N 3.16Å; A269-Y273 HydrophobicContact CB-CE2 4.21Å; A269-Y273 WeakPolarHBondContact O-CD2 3.4Å |
| 270 | V | 49 | Very low | 52.4 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -54.3 | -31.8 | -176.6 | 164.3 | 0 | 0 | 0 | 0 | 116.1 | Q266 M272 | Q266-V270 VanDerWaalsContact O-CG2 3.24Å; Q266-V270 WeakPolarHBondContact O-CG2 3.42Å; Q266-V270 PolarHBondContact O-N 2.91Å; V270-M272 PolarHBondContact O-N 2.94Å |
| 271 | P | 43.6 | Very low | 50.4 | Low | 82 Ų | 82 | 108.7 Ų | 108.7 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 174 | -25.5 | 35 | 0 | 0 | 0 | 114.5 | T267 V268 | T267-P271 WeakPolarHBondContact O-CD 3.46Å; V268-P271 WeakPolarHBondContact O-CD 3.35Å |
| 272 | M | 36.2 | Very low | 48.2 | Very low | 131 Ų | 131 | 114.4 Ų | 114.4 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.9 | -46.2 | -175.8 | -82.2 | -177 | 64.3 | 0 | 0 | 112.3 | A269 V270 R274 M275 M276 | A269-M272 PolarHBondContact O-N 3.03Å; A269-M272 VanDerWaalsContact O-N 3.16Å; V270-M272 PolarHBondContact O-N 2.94Å; M272-R274 VanDerWaalsContact C-N 3.31Å; M272-R274 PolarHBondContact O-N 3.35Å; M272-M275 PolarHBondContact O-N 2.91Å; M272-M275 VanDerWaalsContact O-N 3.13Å; M272-M276 PolarHBondContact O-N 3.36Å |
| 273 | Y | 39.6 | Very low | 46.4 | Very low | 132 Ų | 132 | 116 Ų | 116 | 52% | 0.518 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -30.5 | -174 | -61 | -74.6 | 0 | 0 | 0 | 113 | A269 M275 Q277 | A269-Y273 HydrophobicContact CB-CE2 4.21Å; A269-Y273 WeakPolarHBondContact O-CD2 3.4Å; Y273-M275 VanDerWaalsContact C-N 3.32Å; Y273-Q277 WeakPolarHBondContact O-CB 3.3Å; Y273-Q277 PolarHBondContact O-N 2.94Å |
| 274 | R | 34.3 | Very low | 44.1 | Very low | 221 Ų | 221 | 121 Ų | 121 | 83% | 0.834 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.5 | -27.7 | 175.2 | -156.6 | 177.3 | -162 | -175.6 | 5.5 | 113 | M272 | M272-R274 VanDerWaalsContact C-N 3.31Å; M272-R274 PolarHBondContact O-N 3.35Å |
| 275 | M | 37.9 | Very low | 42 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 58% | 0.581 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.3 | -44.5 | 176.9 | -161.4 | 166.8 | -174.1 | 0 | 0 | 111.1 | M272 Y273 Y279 | M272-M275 PolarHBondContact O-N 2.91Å; M272-M275 VanDerWaalsContact O-N 3.13Å; Y273-M275 VanDerWaalsContact C-N 3.32Å; M275-Y279 WeakPolarHBondContact O-CD2 3.28Å |
| 276 | M | 31.6 | Very low | 40 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.4 | -34 | -175.7 | -165 | 170.5 | -177.5 | 0 | 0 | 113.8 | M272 S278 | M272-M276 PolarHBondContact O-N 3.36Å; M276-S278 PolarHBondContact O-N 3.19Å |
| 277 | Q | 29.9 | Very low | 38.2 | Very low | 169 Ų | 169 | 128.8 Ų | 128.8 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -8.4 | -177.9 | -164.4 | 157.5 | 44.8 | 0 | 0 | 113.9 | Y273 | Y273-Q277 WeakPolarHBondContact O-CB 3.3Å; Y273-Q277 PolarHBondContact O-N 2.94Å |
| 278 | S | 33.9 | Very low | 36.6 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -11.5 | 179 | -163.8 | 0 | 0 | 0 | 0 | 114.7 | M276 | M276-S278 PolarHBondContact O-N 3.19Š|
| 279 | Y | 36.6 | Very low | 35.1 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -109.1 | -14.9 | -169.2 | -78.3 | -82.5 | 0 | 0 | 0 | 115.7 | M275 | M275-Y279 WeakPolarHBondContact O-CD2 3.28Š|
| 280 | F | 35.6 | Very low | 34.3 | Very low | 195 Ų | 195 | 141 Ų | 141 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -149.1 | 45.8 | -174.9 | -129.1 | -85.3 | 0 | 0 | 0 | 116.6 | ||
| 281 | C | 26.7 | Very low | 33.7 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | trans | -168.6 | 94.3 | 151.9 | -105.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 282 | V | 28.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | -136.8 | 109.7 | 153.2 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 283 | P | 35.6 | Very low | 33.2 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | -137 | 130.4 | 115 | 34.1 | -22.3 | 0 | 0 | 0 | 114.7 | |||||
| 284 | R | 27.5 | Very low | 33.1 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 71.2 | 89.6 | 130.7 | -160.9 | -174.1 | -154.6 | 161.9 | 5 | 118.8 | I286 | R284-I286 HydrophobicContact CG-CD1 3.94Å; R284-I286 HydrophobicContact CG-CG1 4.15Å | ||
| 285 | I | 28.4 | Very low | 33.1 | Very low | 170 Ų | 170 | 144 Ų | 144 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | trans | -117.2 | 129.7 | 134.6 | -63.8 | -178.1 | 0 | 0 | 0 | 107.8 | ||||
| 286 | I | 32.3 | Very low | 33 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 59% | 0.585 | 76% | 0.761 | S | S | * | * | trans | -116.5 | 118.4 | -178.5 | -63.2 | 165.9 | 0 | 0 | 0 | 107.9 | R284 | R284-I286 HydrophobicContact CG-CD1 3.94Å; R284-I286 HydrophobicContact CG-CG1 4.15Å | ||
| 287 | P | 31.6 | Very low | 33.1 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -74 | 130.1 | 160 | 30.9 | -30.3 | 0 | 0 | 0 | 108.6 | L289 | P287-L289 PolarHBondContact O-N 3.09Š| ||
| 288 | P | 34 | Very low | 33.1 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -74.3 | 117.2 | -171.9 | 28.2 | -34.2 | 0 | 0 | 0 | 112.1 | ||||
| 289 | L | 30.9 | Very low | 32.8 | Very low | 156 Ų | 156 | 151 Ų | 151 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | trans | -91.4 | 108.9 | 161.9 | -103.1 | 168.2 | 0 | 0 | 0 | 109.2 | P287 | P287-L289 PolarHBondContact O-N 3.09Š| ||
| 290 | N | 36.7 | Very low | 32.2 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -139.5 | 156.8 | 163.6 | -163.6 | -1.7 | 0 | 0 | 0 | 108.3 | ||||
| 291 | Q | 35.8 | Very low | 31.8 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 60.7 | 70.2 | -168.9 | -60.5 | -166.4 | -48.9 | 0 | 0 | 115.6 | ||||
| 292 | L | 36 | Very low | 31.7 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -135 | 3.7 | 153.4 | -108.1 | 176.7 | 0 | 0 | 0 | 115.8 | L294 | L292-L294 VanDerWaalsContact C-N 3.34Š| ||
| 293 | D | 34.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -80.9 | -12.2 | 169.8 | -103.2 | -48.7 | 0 | 0 | 0 | 113.7 | R296 | D293-R296 IonicContact OD1-CZ 3.99Å; D293-R296 IonicContact OD1-NH1 2.81Å; D293-R296 PolarHBondContact OD1-NH1 3.01Å |
| 294 | L | 37.9 | Very low | 30.7 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 45.1 | -177.5 | -159.6 | 109.5 | 0 | 0 | 0 | 113.9 | L292 | L292-L294 VanDerWaalsContact C-N 3.34Š|
| 295 | L | 33 | Very low | 30.4 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.2 | 39.3 | 156 | -111.2 | 171.9 | 0 | 0 | 0 | 112.4 | N297 | L295-N297 VanDerWaalsContact CD2-O 3.23Å; L295-N297 WeakPolarHBondContact CD2-O 3.48Å; L295-N297 PolarHBondContact O-N 3.4Å |
| 296 | R | 36.1 | Very low | 30 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -74.3 | 18.1 | 176.6 | -139.5 | 172.8 | -168.8 | 143.3 | -5.1 | 114 | D293 | D293-R296 IonicContact OD1-CZ 3.99Å; D293-R296 IonicContact OD1-NH1 2.81Å; D293-R296 PolarHBondContact OD1-NH1 3.01Å | ||
| 297 | N | 33.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -146.9 | 138.7 | -177.7 | -91.6 | -65.1 | 0 | 0 | 0 | 108.1 | L295 | L295-N297 VanDerWaalsContact CD2-O 3.23Å; L295-N297 WeakPolarHBondContact CD2-O 3.48Å; L295-N297 PolarHBondContact O-N 3.4Å |
| 298 | L | 30.9 | Very low | 29 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 67.4 | 135.6 | -161.8 | -44.8 | 168.6 | 0 | 0 | 0 | 110.5 | ||||
| 299 | K | 26.5 | Very low | 28.4 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | cis | -162 | 140 | 2.3 | -161.3 | 158 | 175 | -178.5 | 0 | 105.9 | ||||
| 300 | G | 25.7 | Very low | 28 | Very low | 56 Ų | 56 | 144.9 Ų | 144.9 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | cis | 99.9 | 83.3 | 11.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 301 | K | 26.1 | Very low | 27.2 | Very low | 205 Ų | 205 | 143.2 Ų | 143.2 | 89% | 0.891 | 73% | 0.728 | S | S | * | * | trans | 79.3 | 135.1 | -165.7 | -50.9 | 159.9 | -174.1 | -179.3 | 0 | 111.1 | ||||
| 302 | S | 23.9 | Very low | 26.5 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | cis | 110.5 | 139.8 | 24.2 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 303 | F | 21.5 | Very low | 26.4 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 69% | 0.689 | 73% | 0.728 | S | S | * | * | trans | 73.7 | 123.9 | 158.1 | -114.6 | -136.5 | 0 | 0 | 0 | 121.7 | ||||
| 304 | R | 21.9 | Very low | 26 | Very low | 189 Ų | 189 | 137.7 Ų | 137.7 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | 58.1 | 119.5 | 130.3 | -80.9 | -163 | -173.9 | 175 | 3.2 | 122.1 | ||||
| 305 | K | 21.8 | Very low | 25.4 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 66% | 0.661 | 73% | 0.73 | S | S | * | * | 73.6 | 152.6 | 105.1 | -153.4 | -165.9 | 174.7 | -75.5 | 0 | 118.2 | |||||
| 306 | D | 20.5 | Very low | 24.9 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | trans | 68.8 | 155.6 | 164.4 | -64 | -29.2 | 0 | 0 | 0 | 115.9 | ||||
| 307 | S | 21.2 | Very low | 24.4 | Very low | 83 Ų | 83 | 138.9 Ų | 138.9 | 58% | 0.58 | 74% | 0.738 | S | S | * | * | cis | -161.5 | 175 | -15.4 | -113.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 308 | Q | 20.7 | Very low | 24 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 37 | 119.5 | 145.4 | -67.3 | 168.5 | -89.7 | 0 | 0 | 121.2 | ||||
| 309 | A | 22.3 | Very low | 23.7 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | 32.7 | 149.7 | 109.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 310 | E | 20.8 | Very low | 23.7 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | 92.2 | 105.9 | 163 | -68.4 | -53.8 | 138.2 | 0 | 0 | 121.4 | ||||
| 311 | T | 21 | Very low | 23.6 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | trans | 49 | 105.8 | 138.4 | 37.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 312 | S | 21.7 | Very low | 23.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | 43.4 | 139.2 | 119.4 | -59.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 313 | P | 33.5 | Very low | 23.6 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | -163.4 | 157.7 | 77.5 | 42.1 | -20.9 | 0 | 0 | 0 | 121.9 | |||||
| 314 | S | 24.3 | Very low | 23.5 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 71.2 | 154.2 | 148.4 | 103.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 315 | R | 25.5 | Very low | 24.2 | Very low | 231 Ų | 231 | 136.4 Ų | 136.4 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | cis | -145.6 | 168.9 | 7.5 | -102.7 | 138.8 | -177.4 | 172.7 | -0.5 | 106.9 | ||||
| 316 | K | 24 | Very low | 24.3 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | cis | -130.8 | 153.8 | 14.9 | -64.5 | 179.4 | -175.6 | 177.4 | 0 | 108.4 | ||||
| 317 | A | 24.4 | Very low | 25.3 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | 71.8 | 126.6 | 65.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 318 | S | 26.2 | Very low | 25.4 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | cis | -168.5 | 169.7 | 0.4 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 319 | L | 24.3 | Very low | 25.6 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | 75.9 | 143.6 | 166.3 | -94.8 | 68.3 | 0 | 0 | 0 | 117.3 | ||||
| 320 | K | 26.2 | Very low | 25.8 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | cis | -163.1 | 140.3 | -4.3 | -154.9 | -175.4 | 178.5 | -173.6 | 0 | 113.3 | ||||
| 321 | D | 24.3 | Very low | 26.6 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 56% | 0.556 | 75% | 0.754 | S | S | * | * | trans | 46.7 | 165.9 | 147.6 | -72.8 | -24 | 0 | 0 | 0 | 123.1 | ||||
| 322 | K | 27.1 | Very low | 26.8 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -174.1 | 152.3 | -39.1 | -110.6 | -176.4 | -164.9 | 115.2 | 0 | 111.4 | ||||
| 323 | V | 22.6 | Very low | 27.2 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 75.7 | 155.6 | 145.6 | 173.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 324 | F | 19.9 | Very low | 26.9 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -62 | -174.4 | 170.7 | -82 | -95.8 | 0 | 0 | 0 | 114.9 | ||||
| 325 | P | 35.3 | Very low | 27 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -133 | -163 | -13.8 | 27.9 | -2.8 | 0 | 0 | 0 | 114.1 | ||||
| 326 | S | 24.2 | Very low | 27 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -54.1 | 171.7 | 156 | -46 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 327 | P | 40.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | cis | -155.7 | -176.6 | 31.6 | 45.3 | -23 | 0 | 0 | 0 | 120.9 | ||||
| 328 | S | 23.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 74.3 | 127.9 | 143.5 | 73.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 329 | K | 26.2 | Very low | 27.9 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | -161.3 | 149.8 | 101.4 | -100.5 | 170.7 | -175.2 | 177.3 | 0 | 111.5 | |||||
| 330 | A | 26.3 | Very low | 28.8 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -107.6 | -170.8 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 331 | P | 37.3 | Very low | 28.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -144.9 | 174.8 | 22.2 | 43.7 | -23.9 | 0 | 0 | 0 | 118.7 | ||||
| 332 | V | 26.4 | Very low | 28.8 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 64.8 | 122.5 | 148.3 | 162.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 333 | T | 28.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | -145.7 | -175.6 | 74.6 | 43.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 334 | K | 27.8 | Very low | 29 | Very low | 211 Ų | 211 | 130.8 Ų | 130.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -99.7 | 163.3 | -158.6 | -54.8 | 167.6 | 178 | 172.6 | 0 | 115.6 | ||||
| 335 | G | 26.5 | Very low | 29.2 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 115.3 | 117 | 151.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 336 | K | 26.4 | Very low | 28.8 | Very low | 216 Ų | 216 | 124.6 Ų | 124.6 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | cis | 98.7 | 121.5 | 41.3 | -171.5 | 176 | -179.2 | -176.3 | 0 | 112.1 | ||||
| 337 | A | 26.5 | Very low | 28.9 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | -86.6 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 338 | P | 40.3 | Very low | 28.1 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | cis | -141.1 | -150 | 13.9 | 44.6 | -22.6 | 0 | 0 | 0 | 116 | ||||
| 339 | S | 25.1 | Very low | 28.3 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -60.3 | -167.5 | 177 | -27.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 340 | P | 44.5 | Very low | 28.7 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | cis | -141.5 | -169.6 | -6.3 | 42.1 | -22.6 | 0 | 0 | 0 | 116.4 | ||||
| 341 | G | 23.3 | Very low | 28.6 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 96 | 168.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 342 | A | 27.1 | Very low | 28 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | cis | -169.3 | 160.9 | -20.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 343 | E | 25.4 | Very low | 27.8 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 57.6 | 151.2 | 161.7 | -38.4 | -52 | 73.8 | 0 | 0 | 123.9 | ||||
| 344 | D | 27.3 | Very low | 27.6 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | 47.1 | 152.5 | 158.5 | -66.9 | -24.7 | 0 | 0 | 0 | 123.1 | ||||
| 345 | G | 24.4 | Very low | 27.6 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | 146.7 | 108.3 | -9.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 346 | A | 27.7 | Very low | 27.5 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -169.7 | 145.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 347 | E | 25.2 | Very low | 27.3 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -31.3 | 136.5 | 165.3 | -71.7 | -65 | 142.2 | 0 | 0 | 119.2 | ||||
| 348 | A | 25.7 | Very low | 27.3 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | 176.2 | 145.7 | 116.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 349 | S | 26.1 | Very low | 26.6 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -150.3 | 141.8 | 158.7 | -80 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 350 | P | 34.8 | Very low | 26.7 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | -154 | -175.4 | 105.3 | 40 | -22.4 | 0 | 0 | 0 | 116 | |||||
| 351 | S | 24.8 | Very low | 25.7 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | 88.9 | 98.1 | 151.1 | 79.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 352 | K | 25.4 | Very low | 25.8 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -17 | 137.3 | 139.9 | -53.7 | 157.8 | -178.2 | 172.8 | 0 | 115.1 | ||||
| 353 | S | 21.6 | Very low | 25.7 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | 179.6 | 151.8 | 107.1 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 354 | T | 23.4 | Very low | 25.8 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -10.2 | 124.5 | 161.1 | 51.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 355 | K | 28 | Very low | 25.8 | Very low | 210 Ų | 210 | 135.9 Ų | 135.9 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -135.4 | 122.1 | 134.1 | -73.1 | -164.6 | 177.1 | 178.3 | 0 | 111.3 | ||||
| 356 | S | 23.5 | Very low | 26 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -72.7 | 147.4 | 159.7 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 357 | W | 23.2 | Very low | 26 | Very low | 240 Ų | 240 | 148.2 Ų | 148.2 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -137 | 130.8 | 161.6 | -167.3 | -95.5 | 0 | 0 | 0 | 111.4 | ||||
| 358 | S | 26.8 | Very low | 26 | Very low | 85 Ų | 85 | 145.8 Ų | 145.8 | 59% | 0.594 | 81% | 0.812 | S | S | * | * | trans | -100 | 138.1 | -175.1 | 42 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 359 | R | 24.8 | Very low | 26.1 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | trans | 42.9 | 109.2 | 139.7 | -173.2 | 175.7 | -71.6 | -159.9 | -2.8 | 118.9 | ||||
| 360 | V | 26.7 | Very low | 26.1 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | 36.3 | 117.4 | 129.2 | -173.8 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 361 | R | 24.4 | Very low | 25.8 | Very low | 240 Ų | 240 | 151.5 Ų | 151.5 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -150.1 | 128.2 | 134.8 | -171.4 | 151.4 | -69.5 | -121.8 | 3.2 | 111.2 | ||||
| 362 | G | 25.8 | Very low | 25.8 | Very low | 63 Ų | 63 | 150.9 Ų | 150.9 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | trans | -78.5 | 150.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 363 | G | 25.8 | Very low | 25.8 | Very low | 88 Ų | 88 | 146.2 Ų | 146.2 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 139 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 364 | A | 26.7 | Very low | 26 | Very low | 99 Ų | 99 | 148.8 Ų | 148.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -122.6 | 123 | 157.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 365 | S | 26.4 | Very low | 26.5 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -93.1 | 124.5 | 175.6 | -164.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 366 | R | 29.1 | Very low | 26.5 | Very low | 244 Ų | 244 | 142 Ų | 142 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -117.8 | 128.1 | 161.8 | -84.8 | -175.2 | 166 | -174.4 | -6.5 | 106.8 | ||||
| 367 | Q | 27.9 | Very low | 26.6 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -96.4 | 170.3 | 161.8 | -76.2 | -174.8 | -57.9 | 0 | 0 | 109.8 | ||||
| 368 | N | 24.8 | Very low | 26.8 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -119.2 | 149 | -159.4 | -172.5 | 61.9 | 0 | 0 | 0 | 112.1 | D370 | N368-D370 PolarHBondContact ND2-OD2 3.28Š| ||
| 369 | S | 27.3 | Very low | 26.9 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -162.5 | 123 | 160 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 370 | D | 27.4 | Very low | 27.1 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -88.6 | 176.7 | -174.7 | -59.3 | -90.1 | 0 | 0 | 0 | 113.5 | N368 | N368-D370 PolarHBondContact ND2-OD2 3.28Š| ||
| 371 | E | 27.1 | Very low | 27.2 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -96.6 | 139.6 | -169 | -164 | 174.9 | 129.2 | 0 | 0 | 112.9 | ||||
| 372 | A | 26.7 | Very low | 27.4 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -152.3 | 161.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 373 | S | 24.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -127.9 | 154.4 | -148.4 | -39.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 374 | L | 25.3 | Very low | 27.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 71.9 | 164.7 | 162.3 | -53.1 | 174.9 | 0 | 0 | 0 | 117.1 | ||||
| 375 | P | 35.2 | Very low | 27.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -135.3 | 165.5 | -56 | 39.1 | -25.1 | 0 | 0 | 0 | 113.5 | |||||
| 376 | G | 26.9 | Very low | 27.6 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 156.6 | 106.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 377 | E | 26.5 | Very low | 27.5 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | 40.1 | 140 | 138.7 | -70.2 | -172.6 | 154.9 | 0 | 0 | 125.7 | ||||
| 378 | E | 26.1 | Very low | 27.6 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 71.9 | 114.6 | 147.8 | -64.6 | -72.9 | 86.8 | 0 | 0 | 123.3 | ||||
| 379 | I | 29.6 | Very low | 27.9 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 54.8 | 134.8 | 143.3 | -83.1 | 63.1 | 0 | 0 | 0 | 121 | ||||
| 380 | G | 28.8 | Very low | 28.1 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 155.7 | 115.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 381 | D | 28.4 | Very low | 28.8 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -77 | 154 | -173 | -97.2 | -47.8 | 0 | 0 | 0 | 117.1 | ||||
| 382 | D | 29 | Very low | 29.7 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 60% | 0.604 | 78% | 0.78 | S | S | * | * | trans | 70.4 | 122.3 | 144.2 | -98.4 | -6 | 0 | 0 | 0 | 125.6 | ||||
| 383 | K | 37.5 | Very low | 31.1 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 74% | 0.735 | 77% | 0.773 | S | S | * | * | trans | 54.1 | 100.6 | 135.4 | -65.6 | 171.9 | -176.2 | 78.1 | 0 | 119.6 | ||||
| 384 | S | 24.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | -125.9 | 136.2 | 135.7 | 67.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 385 | C | 25.2 | Very low | 35.3 | Very low | 120 Ų | 120 | 132 Ų | 132 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -89.1 | 118.8 | -174.4 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | C387 | C385-C387 PolarHBondContact O-N 3.31Š| ||
| 386 | H | 21.4 | Very low | 37.1 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | trans | -83.3 | 91.9 | 176.6 | -162.4 | -95.9 | 0 | 0 | 0 | 110.9 | E388 | H386-E388 IonicContact CE1-OE1 3.64Å; H386-E388 WeakPolarHBondContact ND1-CG 3.42Å; H386-E388 IonicContact ND1-OE1 3.97Å; H386-E388 PolarHBondContact O-N 3.24Å | ||
| 387 | C | 28.8 | Very low | 39.4 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -82.4 | 91.8 | 174.2 | -84.4 | 0 | 0 | 0 | 0 | 111.4 | C385 F389 | C385-C387 PolarHBondContact O-N 3.31Å; C387-F389 PolarHBondContact O-N 2.83Å | ||
| 388 | E | 28.5 | Very low | 41.9 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | trans | -68.4 | 129 | 167.3 | -62.3 | -162 | 140 | 0 | 0 | 111 | H386 F390 | H386-E388 IonicContact CE1-OE1 3.64Å; H386-E388 WeakPolarHBondContact ND1-CG 3.42Å; H386-E388 IonicContact ND1-OE1 3.97Å; H386-E388 PolarHBondContact O-N 3.24Å; E388-F390 VanDerWaalsContact C-N 3.33Å; E388-F390 PolarHBondContact O-N 3.16Å | ||
| 389 | F | 31.6 | Very low | 44.5 | Very low | 185 Ų | 185 | 118.3 Ų | 118.3 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | trans | -74.2 | 85 | 175.2 | -114.2 | -90.2 | 0 | 0 | 0 | 110 | C387 T391 | C387-F389 PolarHBondContact O-N 2.83Å; F389-T391 PolarHBondContact O-N 3.23Å; F389-T391 VanDerWaalsContact O-N 3.13Å | ||
| 390 | F | 32.4 | Very low | 47.1 | Very low | 169 Ų | 169 | 114.9 Ų | 114.9 | 74% | 0.741 | 64% | 0.641 | S | S | * | * | trans | -60.3 | 115.9 | 168.2 | -101.6 | -93.5 | 0 | 0 | 0 | 109.7 | E388 Q392 | E388-F390 VanDerWaalsContact C-N 3.33Å; E388-F390 PolarHBondContact O-N 3.16Å; F390-Q392 PolarHBondContact O-N 3.02Å | ||
| 391 | T | 42.1 | Very low | 49.8 | Very low | 134 Ų | 134 | 114.7 Ų | 114.7 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | trans | -67.6 | 85.3 | 162.4 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | F389 E393 | F389-T391 PolarHBondContact O-N 3.23Å; F389-T391 VanDerWaalsContact O-N 3.13Å; T391-E393 PolarHBondContact O-N 3.28Å | ||
| 392 | Q | 45.9 | Very low | 52.4 | Low | 173 Ų | 173 | 107.4 Ų | 107.4 | 81% | 0.808 | 59% | 0.586 | S | S | * | * | trans | -68.8 | 97.8 | -175.5 | -168.7 | 169.3 | 50.7 | 0 | 0 | 109.3 | F390 L394 | F390-Q392 PolarHBondContact O-N 3.02Å; Q392-L394 PolarHBondContact O-N 3.31Å | ||
| 393 | E | 56.1 | Low | 55.1 | Low | 145 Ų | 145 | 105.8 Ų | 105.8 | 68% | 0.678 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 133.2 | 175.5 | -85.2 | -154.8 | -144.9 | 0 | 0 | 110.5 | T391 K399 | T391-E393 PolarHBondContact O-N 3.28Å; E393-K399 IonicContact OE2-NZ 3.76Å; E393-K399 PolarHBondContact OE2-NZ 2.89Å |
| 394 | L | 61.9 | Low | 57.5 | Low | 15 Ų | 15 | 99.9 Ų | 99.9 | 8% | 0.079 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -53 | 128.9 | 177.3 | -119.8 | 78 | 0 | 0 | 0 | 110 | E265 V268 Q392 L398 K399 V402 | E265-L394 HydrophobicContact CB-CD1 4.47Å; E265-L394 HydrophobicContact CG-CD1 3.61Å; V268-L394 HydrophobicContact CB-CD1 4.32Å; V268-L394 HydrophobicContact CG1-CD1 4.06Å; Q392-L394 PolarHBondContact O-N 3.31Å; L394-L398 HydrophobicContact CD2-CB 4.29Å; L394-L398 HydrophobicContact CD2-CD2 3.98Å; L394-L398 HydrophobicContact CD2-CG 3.81Å; L394-L398 HydrophobicContact CG-CB 4.49Å; L394-L398 HydrophobicContact CG-CD2 3.99Å; L394-L398 HydrophobicContact CG-CG 4.25Å; L394-K399 HydrophobicContact CB-CD 4.28Å; L394-K399 HydrophobicContact CB-CG 3.72Å; L394-K399 WeakPolarHBondContact O-CD 3.49Å; L394-K399 WeakPolarHBondContact O-CE 3.17Å; L394-K399 WeakPolarHBondContact O-CG 3.26Å; L394-V402 HydrophobicContact CD2-CG2 4.36Å |
| 395 | P | 74.9 | Confident | 60.5 | Low | 78 Ų | 78 | 97.6 Ų | 97.6 | 51% | 0.506 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 142.3 | 179.5 | -30 | 35.3 | 0 | 0 | 0 | 111.5 | G397 L398 K399 | P395-G397 PolarHBondContact O-N 3.36Å; P395-G397 VanDerWaalsContact O-N 3.12Å; P395-L398 HydrophobicContact CB-CB 4.43Å; P395-L398 WeakPolarHBondContact O-CA 3.28Å; P395-L398 WeakPolarHBondContact O-CB 3.4Å; P395-L398 PolarHBondContact O-N 2.83Å; P395-K399 PolarHBondContact O-N 2.72Å |
| 396 | P | 72.8 | Confident | 63.5 | Low | 107 Ų | 107 | 92 Ų | 92 | 70% | 0.695 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -34.6 | -171.7 | 19.6 | -31.6 | 0 | 0 | 0 | 112.8 | L398 K399 V400 | P396-L398 VanDerWaalsContact C-N 3.35Å; P396-L398 PolarHBondContact O-N 3.41Å; P396-K399 PolarHBondContact O-N 3.46Å; P396-V400 WeakPolarHBondContact O-CG2 3.42Å; P396-V400 PolarHBondContact O-N 2.93Å |
| 397 | G | 76.8 | Confident | 66.7 | Low | 50 Ų | 50 | 86.7 Ų | 86.7 | 52% | 0.515 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P395 V400 T401 | P395-G397 PolarHBondContact O-N 3.36Å; P395-G397 VanDerWaalsContact O-N 3.12Å; G397-V400 PolarHBondContact O-N 3.5Å; G397-T401 PolarHBondContact O-N 3.19Å; G397-T401 PolarHBondContact O-OG1 3.24Å; G397-T401 VanDerWaalsContact O-OG1 3.11Å |
| 398 | L | 79 | Confident | 69.6 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 36% | 0.361 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -73.5 | -35.8 | 177 | -165 | 55.2 | 0 | 0 | 0 | 111.7 | V268 L394 P395 P396 V400 T401 V402 | V268-L398 HydrophobicContact CG1-CD2 4.15Å; L394-L398 HydrophobicContact CD2-CB 4.29Å; L394-L398 HydrophobicContact CD2-CD2 3.98Å; L394-L398 HydrophobicContact CD2-CG 3.81Å; L394-L398 HydrophobicContact CG-CB 4.49Å; L394-L398 HydrophobicContact CG-CD2 3.99Å; L394-L398 HydrophobicContact CG-CG 4.25Å; P395-L398 HydrophobicContact CB-CB 4.43Å; P395-L398 WeakPolarHBondContact O-CA 3.28Å; P395-L398 WeakPolarHBondContact O-CB 3.4Å; P395-L398 PolarHBondContact O-N 2.83Å; P396-L398 VanDerWaalsContact C-N 3.35Å; P396-L398 PolarHBondContact O-N 3.41Å; L398-V400 VanDerWaalsContact C-N 3.3Å; L398-V400 PolarHBondContact O-N 2.84Å; L398-T401 PolarHBondContact O-N 2.76Å; L398-V402 WeakPolarHBondContact O-CG2 3.34Å; L398-V402 PolarHBondContact O-N 2.98Å |
| 399 | K | 79.9 | Confident | 72.5 | Confident | 32 Ų | 32 | 86.5 Ų | 86.5 | 14% | 0.139 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 169.4 | -64.6 | -175.4 | 171.5 | 177 | 0 | 111.3 | L252 W261 E393 L394 P395 P396 R403 | L252-K399 HydrophobicContact CD1-CB 4.38Å; W261-K399 HydrophobicContact CH2-CB 4.08Å; W261-K399 HydrophobicContact CZ3-CB 3.93Å; W261-K399 HydrophobicContact CZ3-CG 4.03Å; E393-K399 IonicContact OE2-NZ 3.76Å; E393-K399 PolarHBondContact OE2-NZ 2.89Å; L394-K399 HydrophobicContact CB-CD 4.28Å; L394-K399 HydrophobicContact CB-CG 3.72Å; L394-K399 WeakPolarHBondContact O-CD 3.49Å; L394-K399 WeakPolarHBondContact O-CE 3.17Å; L394-K399 WeakPolarHBondContact O-CG 3.26Å; P395-K399 PolarHBondContact O-N 2.72Å; P396-K399 PolarHBondContact O-N 3.46Å; K399-R403 PolarHBondContact O-N 3.45Å; K399-R403 VanDerWaalsContact O-N 3.13Å |
| 400 | V | 84.6 | Confident | 75.4 | Confident | 81 Ų | 81 | 79.9 Ų | 79.9 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 172.8 | 171.6 | 0 | 0 | 0 | 0 | 112.1 | P396 G397 L398 V402 R403 A404 | P396-V400 WeakPolarHBondContact O-CG2 3.42Å; P396-V400 PolarHBondContact O-N 2.93Å; G397-V400 PolarHBondContact O-N 3.5Å; L398-V400 VanDerWaalsContact C-N 3.3Å; L398-V400 PolarHBondContact O-N 2.84Å; V400-V402 PolarHBondContact O-N 3.43Å; V400-R403 WeakPolarHBondContact O-CB 3.34Å; V400-R403 PolarHBondContact O-N 3.05Å; V400-A404 PolarHBondContact O-N 3.05Å |
| 401 | T | 85.1 | Confident | 78.2 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | G397 L398 R403 A404 I405 | G397-T401 PolarHBondContact O-N 3.19Å; G397-T401 PolarHBondContact O-OG1 3.24Å; G397-T401 VanDerWaalsContact O-OG1 3.11Å; L398-T401 PolarHBondContact O-N 2.76Å; T401-R403 VanDerWaalsContact C-N 3.32Å; T401-R403 PolarHBondContact O-N 2.86Å; T401-A404 PolarHBondContact O-N 3.43Å; T401-I405 HydrophobicContact CG2-CD1 4.06Å; T401-I405 WeakPolarHBondContact O-CG1 3.43Å; T401-I405 PolarHBondContact O-N 3.32Å |
| 402 | V | 83.9 | Confident | 80.5 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.055 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 173.3 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | W261 Y264 L394 L398 V400 A404 I405 C406 | W261-V402 HydrophobicContact CZ3-CB 4.36Å; W261-V402 HydrophobicContact CZ3-CG1 4.11Å; Y264-V402 HydrophobicContact CD1-CG1 3.88Å; Y264-V402 HydrophobicContact CD2-CG1 3.76Å; Y264-V402 HydrophobicContact CE1-CG1 4.14Å; Y264-V402 HydrophobicContact CE2-CG1 4.05Å; Y264-V402 HydrophobicContact CG-CG1 3.7Å; L394-V402 HydrophobicContact CD2-CG2 4.36Å; L398-V402 WeakPolarHBondContact O-CG2 3.34Å; L398-V402 PolarHBondContact O-N 2.98Å; V400-V402 PolarHBondContact O-N 3.43Å; V402-A404 PolarHBondContact O-N 3.15Å; V402-I405 PolarHBondContact O-N 3.28Å; V402-C406 PolarHBondContact O-N 3.1Å; V402-C406 PolarHBondContact O-SG 3.03Å; V402-C406 VanDerWaalsContact O-SG 3.39Å |
| 403 | R | 85.2 | Confident | 82.6 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.3 | -173.6 | -177.3 | -176.3 | 169 | 8.6 | 112.2 | T250 N251 K399 V400 T401 C406 V407 | T250-R403 VanDerWaalsContact O-CD 3.31Å; T250-R403 WeakPolarHBondContact O-CD 3.46Å; T250-R403 WeakPolarHBondContact O-CG 3.29Å; N251-R403 PolarHBondContact OD1-NH2 2.98Å; K399-R403 PolarHBondContact O-N 3.45Å; K399-R403 VanDerWaalsContact O-N 3.13Å; V400-R403 WeakPolarHBondContact O-CB 3.34Å; V400-R403 PolarHBondContact O-N 3.05Å; T401-R403 VanDerWaalsContact C-N 3.32Å; T401-R403 PolarHBondContact O-N 2.86Å; R403-C406 WeakPolarHBondContact O-CB 3.05Å; R403-C406 PolarHBondContact O-N 2.86Å; R403-V407 WeakPolarHBondContact O-CG2 3.48Å; R403-V407 PolarHBondContact O-N 3.28Å |
| 404 | A | 87.4 | Confident | 84.2 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V400 T401 V402 C406 V407 M408 | V400-A404 PolarHBondContact O-N 3.05Å; T401-A404 PolarHBondContact O-N 3.43Å; V402-A404 PolarHBondContact O-N 3.15Å; A404-C406 VanDerWaalsContact C-N 3.3Å; A404-C406 PolarHBondContact O-N 3.33Å; A404-V407 PolarHBondContact O-N 2.94Å; A404-M408 WeakPolarHBondContact O-CG 3.31Å; A404-M408 PolarHBondContact O-N 3.04Å |
| 405 | I | 87.9 | Confident | 85.5 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.6 | -67.6 | 164.3 | 0 | 0 | 0 | 111.1 | T401 V402 M408 K409 | T401-I405 HydrophobicContact CG2-CD1 4.06Å; T401-I405 WeakPolarHBondContact O-CG1 3.43Å; T401-I405 PolarHBondContact O-N 3.32Å; V402-I405 PolarHBondContact O-N 3.28Å; I405-M408 PolarHBondContact O-N 3.28Å; I405-K409 HydrophobicContact CG2-CD 4.07Å; I405-K409 WeakPolarHBondContact O-CB 3.35Å; I405-K409 WeakPolarHBondContact O-CG 3.15Å; I405-K409 PolarHBondContact O-N 2.86Å |
| 406 | C | 87.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 175.2 | -72.5 | 0 | 0 | 0 | 0 | 112.9 | T250 Y264 V402 R403 A404 K409 F410 | T250-C406 HydrophobicContact CG2-CB 4.27Å; Y264-C406 PolarHBondContact OH-SG 3.08Å; V402-C406 PolarHBondContact O-N 3.1Å; V402-C406 PolarHBondContact O-SG 3.03Å; V402-C406 VanDerWaalsContact O-SG 3.39Å; R403-C406 WeakPolarHBondContact O-CB 3.05Å; R403-C406 PolarHBondContact O-N 2.86Å; A404-C406 VanDerWaalsContact C-N 3.3Å; A404-C406 PolarHBondContact O-N 3.33Å; C406-K409 PolarHBondContact O-N 2.91Å; C406-F410 WeakPolarHBondContact O-CB 3.16Å; C406-F410 PolarHBondContact O-N 2.87Å |
| 407 | V | 89.3 | Confident | 86.6 | Confident | 48 Ų | 48 | 74.7 Ų | 74.7 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 171.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | F247 R403 A404 K409 F410 L411 | F247-V407 HydrophobicContact CD2-CG2 3.65Å; F247-V407 HydrophobicContact CE2-CG2 3.62Å; R403-V407 WeakPolarHBondContact O-CG2 3.48Å; R403-V407 PolarHBondContact O-N 3.28Å; A404-V407 PolarHBondContact O-N 2.94Å; V407-K409 PolarHBondContact O-N 3.43Å; V407-F410 PolarHBondContact O-N 2.88Å; V407-L411 HydrophobicContact CG1-CD1 3.96Å; V407-L411 HydrophobicContact CG1-CG 4.41Å; V407-L411 WeakPolarHBondContact O-CG 2.71Å; V407-L411 PolarHBondContact O-N 3.15Å |
| 408 | M | 89.3 | Confident | 87 | Confident | 129 Ų | 129 | 79.9 Ų | 79.9 | 64% | 0.635 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.4 | -45.6 | 177 | -71.4 | -179.6 | 176.1 | 0 | 0 | 111.6 | A404 I405 F410 L411 V412 | A404-M408 WeakPolarHBondContact O-CG 3.31Å; A404-M408 PolarHBondContact O-N 3.04Å; I405-M408 PolarHBondContact O-N 3.28Å; M408-F410 PolarHBondContact O-N 2.93Å; M408-L411 PolarHBondContact O-N 3.44Å; M408-V412 WeakPolarHBondContact O-CB 3.4Å; M408-V412 WeakPolarHBondContact O-CG2 3.49Å; M408-V412 PolarHBondContact O-N 3.4Å |
| 409 | K | 88.1 | Confident | 87 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 53% | 0.53 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 176.1 | -75.9 | 175.5 | 178.8 | 175.5 | 0 | 112.3 | I405 C406 V407 S413 | I405-K409 HydrophobicContact CG2-CD 4.07Å; I405-K409 WeakPolarHBondContact O-CB 3.35Å; I405-K409 WeakPolarHBondContact O-CG 3.15Å; I405-K409 PolarHBondContact O-N 2.86Å; C406-K409 PolarHBondContact O-N 2.91Å; V407-K409 PolarHBondContact O-N 3.43Å; K409-S413 WeakPolarHBondContact O-CB 3.44Å; K409-S413 PolarHBondContact O-N 3.03Å; K409-S413 PolarHBondContact O-OG 3.08Å; K409-S413 VanDerWaalsContact O-OG 3.13Å |
| 410 | F | 92.6 | Very high | 86.8 | Confident | 45 Ų | 45 | 79.3 Ų | 79.3 | 20% | 0.197 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 173.4 | 168 | -110.4 | 0 | 0 | 0 | 112.4 | L240 A243 A244 F247 C406 V407 M408 S413 K414 | L240-F410 HydrophobicContact CD1-CD2 3.99Å; L240-F410 HydrophobicContact CD1-CE2 3.75Å; A243-F410 HydrophobicContact CB-CB 4.38Å; A244-F410 HydrophobicContact CB-CD2 3.98Å; A244-F410 HydrophobicContact CB-CE2 3.82Å; F247-F410 HydrophobicContact CB-CB 4.23Å; F247-F410 HydrophobicContact CB-CG 4.45Å; F247-F410 HydrophobicContact CD1-CD1 4.48Å; C406-F410 WeakPolarHBondContact O-CB 3.16Å; C406-F410 PolarHBondContact O-N 2.87Å; V407-F410 PolarHBondContact O-N 2.88Å; M408-F410 PolarHBondContact O-N 2.93Å; F410-S413 PolarHBondContact O-N 2.84Å; F410-K414 HydrophobicContact CZ-CD 4.34Å; F410-K414 WeakPolarHBondContact O-CB 3.25Å; F410-K414 PolarHBondContact O-N 3.27Å |
| 411 | L | 91.6 | Very high | 86.1 | Confident | 97 Ų | 97 | 79.7 Ų | 79.7 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 177.9 | -68.5 | 173.3 | 0 | 0 | 0 | 112 | V407 M408 K414 R415 | V407-L411 HydrophobicContact CG1-CD1 3.96Å; V407-L411 HydrophobicContact CG1-CG 4.41Å; V407-L411 WeakPolarHBondContact O-CG 2.71Å; V407-L411 PolarHBondContact O-N 3.15Å; M408-L411 PolarHBondContact O-N 3.44Å; L411-K414 PolarHBondContact O-N 3Å; L411-R415 WeakPolarHBondContact O-CB 3.42Å; L411-R415 PolarHBondContact O-N 3.25Å |
| 412 | V | 91.6 | Very high | 85.3 | Confident | 78 Ų | 78 | 83.7 Ų | 83.7 | 47% | 0.473 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | M408 R415 R416 | M408-V412 WeakPolarHBondContact O-CB 3.4Å; M408-V412 WeakPolarHBondContact O-CG2 3.49Å; M408-V412 PolarHBondContact O-N 3.4Å; V412-R415 PolarHBondContact O-N 2.81Å; V412-R416 WeakPolarHBondContact O-CB 3.33Å; V412-R416 WeakPolarHBondContact O-CG 3.15Å; V412-R416 PolarHBondContact O-N 2.86Å |
| 413 | S | 89.1 | Confident | 84.3 | Confident | 28 Ų | 28 | 88 Ų | 88 | 20% | 0.196 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.6 | -36.6 | 174.6 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | K409 F410 F417 | K409-S413 WeakPolarHBondContact O-CB 3.44Å; K409-S413 PolarHBondContact O-N 3.03Å; K409-S413 PolarHBondContact O-OG 3.08Å; K409-S413 VanDerWaalsContact O-OG 3.13Å; F410-S413 PolarHBondContact O-N 2.84Å; S413-F417 WeakPolarHBondContact O-CB 3.5Å; S413-F417 PolarHBondContact O-N 2.87Å |
| 414 | K | 90.6 | Very high | 83.2 | Confident | 117 Ų | 117 | 91 Ų | 91 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 174.9 | -175.2 | -179.8 | 179.2 | -178 | 0 | 111.2 | L240 F410 L411 K418 | L240-K414 HydrophobicContact CD1-CB 3.96Å; F410-K414 HydrophobicContact CZ-CD 4.34Å; F410-K414 WeakPolarHBondContact O-CB 3.25Å; F410-K414 PolarHBondContact O-N 3.27Å; L411-K414 PolarHBondContact O-N 3Å; K414-K418 WeakPolarHBondContact O-CB 3.41Å; K414-K418 PolarHBondContact O-N 3.37Å |
| 415 | R | 87.9 | Confident | 82.2 | Confident | 165 Ų | 165 | 93 Ų | 93 | 62% | 0.623 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.6 | -54.3 | 173.2 | 177 | 169.9 | 170.9 | 164.9 | 2.7 | 111 | L411 V412 F417 K418 E419 | L411-R415 WeakPolarHBondContact O-CB 3.42Å; L411-R415 PolarHBondContact O-N 3.25Å; V412-R415 PolarHBondContact O-N 2.81Å; R415-F417 VanDerWaalsContact C-N 3.29Å; R415-F417 PolarHBondContact O-N 3.25Å; R415-K418 PolarHBondContact O-N 3.43Å; R415-E419 HydrophobicContact CG-CG 4.39Å; R415-E419 WeakPolarHBondContact CG-OE1 3.37Å; R415-E419 IonicContact CZ-OE1 3.29Å; R415-E419 VanDerWaalsContact CZ-OE1 3.32Å; R415-E419 IonicContact NE-OE1 2.63Å; R415-E419 PolarHBondContact NE-OE1 3.35Å; R415-E419 IonicContact NH2-OE1 2.73Å; R415-E419 PolarHBondContact NH2-OE1 2.96Å; R415-E419 WeakPolarHBondContact O-CG 3.3Å; R415-E419 PolarHBondContact O-N 2.87Å |
| 416 | R | 84.2 | Confident | 81.4 | Confident | 168 Ų | 168 | 94.4 Ų | 94.4 | 63% | 0.634 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.1 | -35.2 | 177.6 | -74.5 | -178.2 | 174 | -164.6 | -3.1 | 113.9 | V412 E419 S420 | V412-R416 WeakPolarHBondContact O-CB 3.33Å; V412-R416 WeakPolarHBondContact O-CG 3.15Å; V412-R416 PolarHBondContact O-N 2.86Å; R416-E419 VanDerWaalsContact CA-OE2 3.3Å; R416-E419 WeakPolarHBondContact CA-OE2 3.5Å; R416-E419 PolarHBondContact N-OE2 3.14Å; R416-S420 VanDerWaalsContact O-CB 3.31Å; R416-S420 WeakPolarHBondContact O-CB 3.49Å; R416-S420 PolarHBondContact O-N 3.12Å; R416-S420 PolarHBondContact O-OG 3.06Å |
| 417 | F | 87.2 | Confident | 80.5 | Confident | 60 Ų | 60 | 100.1 Ų | 100.1 | 26% | 0.263 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -47.1 | 172.5 | 178.8 | -114.6 | 0 | 0 | 0 | 111.5 | P236 A237 L240 S413 R415 E419 S420 L421 | P236-F417 HydrophobicContact CB-CD2 4.49Å; A237-F417 HydrophobicContact CB-CD2 4.04Å; A237-F417 HydrophobicContact CB-CE2 3.75Å; L240-F417 HydrophobicContact CB-CB 4.32Å; L240-F417 HydrophobicContact CD2-CB 3.78Å; L240-F417 HydrophobicContact CD2-CD1 3.38Å; L240-F417 HydrophobicContact CD2-CE1 4.1Å; L240-F417 HydrophobicContact CD2-CG 3.67Å; S413-F417 WeakPolarHBondContact O-CB 3.5Å; S413-F417 PolarHBondContact O-N 2.87Å; R415-F417 VanDerWaalsContact C-N 3.29Å; R415-F417 PolarHBondContact O-N 3.25Å; F417-E419 VanDerWaalsContact C-N 3.34Å; F417-E419 PolarHBondContact O-N 3.2Å; F417-S420 WeakPolarHBondContact CA-OG 3.22Å; F417-S420 CarbonylContact O-C 3.58Å; F417-S420 PolarHBondContact O-N 2.75Å; F417-S420 VanDerWaalsContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 3.46Å; F417-L421 HydrophobicContact CD1-CD1 4.22Å; F417-L421 HydrophobicContact CE1-CD1 3.75Å; F417-L421 HydrophobicContact CE1-CG 4.38Å; F417-L421 HydrophobicContact CE2-CD2 4.31Å; F417-L421 HydrophobicContact CE2-CG 4.36Å; F417-L421 HydrophobicContact CZ-CD1 3.95Å; F417-L421 HydrophobicContact CZ-CD2 4.15Å; F417-L421 HydrophobicContact CZ-CG 4.19Å; F417-L421 WeakPolarHBondContact O-CG 3.34Å; F417-L421 PolarHBondContact O-N 2.98Å |
| 418 | K | 84.4 | Confident | 79.8 | Confident | 159 Ų | 159 | 100.1 Ų | 100.1 | 69% | 0.691 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -37.6 | 177.3 | -169 | 177.1 | -178.3 | -177.4 | 0 | 112.6 | K414 R415 L421 | K414-K418 WeakPolarHBondContact O-CB 3.41Å; K414-K418 PolarHBondContact O-N 3.37Å; R415-K418 PolarHBondContact O-N 3.43Å; K418-L421 PolarHBondContact O-N 3Å |
| 419 | E | 79.6 | Confident | 79.2 | Confident | 64 Ų | 64 | 98.6 Ų | 98.6 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.6 | -49.6 | 170.5 | -72.2 | 161.2 | 161.7 | 0 | 0 | 110.1 | R415 R416 F417 L421 R422 | R415-E419 HydrophobicContact CG-CG 4.39Å; R415-E419 WeakPolarHBondContact CG-OE1 3.37Å; R415-E419 IonicContact CZ-OE1 3.29Å; R415-E419 VanDerWaalsContact CZ-OE1 3.32Å; R415-E419 IonicContact NE-OE1 2.63Å; R415-E419 PolarHBondContact NE-OE1 3.35Å; R415-E419 IonicContact NH2-OE1 2.73Å; R415-E419 PolarHBondContact NH2-OE1 2.96Å; R415-E419 WeakPolarHBondContact O-CG 3.3Å; R415-E419 PolarHBondContact O-N 2.87Å; R416-E419 VanDerWaalsContact CA-OE2 3.3Å; R416-E419 WeakPolarHBondContact CA-OE2 3.5Å; R416-E419 PolarHBondContact N-OE2 3.14Å; F417-E419 VanDerWaalsContact C-N 3.34Å; F417-E419 PolarHBondContact O-N 3.2Å; E419-L421 PolarHBondContact O-N 3.07Å; E419-R422 WeakPolarHBondContact O-CB 3.49Å; E419-R422 PolarHBondContact O-N 3.36Å |
| 420 | S | 75.2 | Confident | 78.8 | Confident | 24 Ų | 24 | 97.2 Ų | 97.2 | 17% | 0.168 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62.6 | -15.4 | 177.5 | 78.9 | 0 | 0 | 0 | 0 | 114.9 | R233 R416 F417 | R233-S420 WeakPolarHBondContact CD-O 3.47Å; R233-S420 VanDerWaalsContact CG-O 3.25Å; R233-S420 WeakPolarHBondContact CG-O 3.07Å; R233-S420 PolarHBondContact NE-O 3.39Å; R233-S420 PolarHBondContact NH1-O 3.14Å; R233-S420 PolarHBondContact NH2-O 3.3Å; R416-S420 VanDerWaalsContact O-CB 3.31Å; R416-S420 WeakPolarHBondContact O-CB 3.49Å; R416-S420 PolarHBondContact O-N 3.12Å; R416-S420 PolarHBondContact O-OG 3.06Å; F417-S420 WeakPolarHBondContact CA-OG 3.22Å; F417-S420 CarbonylContact O-C 3.58Å; F417-S420 PolarHBondContact O-N 2.75Å; F417-S420 VanDerWaalsContact O-N 3.14Å; F417-S420 PolarHBondContact O-OG 3.46Å |
| 421 | L | 71.1 | Confident | 78.3 | Confident | 89 Ų | 89 | 100.1 Ų | 100.1 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -81.4 | -24.6 | 175.1 | -74.2 | 175 | 0 | 0 | 0 | 113.4 | R233 F417 K418 E419 | R233-L421 VanDerWaalsContact NH1-C 3.35Å; R233-L421 PolarHBondContact NH1-O 3.14Å; F417-L421 HydrophobicContact CD1-CD1 4.22Å; F417-L421 HydrophobicContact CE1-CD1 3.75Å; F417-L421 HydrophobicContact CE1-CG 4.38Å; F417-L421 HydrophobicContact CE2-CD2 4.31Å; F417-L421 HydrophobicContact CE2-CG 4.36Å; F417-L421 HydrophobicContact CZ-CD1 3.95Å; F417-L421 HydrophobicContact CZ-CD2 4.15Å; F417-L421 HydrophobicContact CZ-CG 4.19Å; F417-L421 WeakPolarHBondContact O-CG 3.34Å; F417-L421 PolarHBondContact O-N 2.98Å; K418-L421 PolarHBondContact O-N 3Å; E419-L421 PolarHBondContact O-N 3.07Å |
| 422 | R | 68.2 | Low | 77.8 | Confident | 154 Ų | 154 | 103 Ų | 103 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -56.2 | 142.9 | 177.7 | -69.8 | 179.2 | 168.2 | 167.3 | -6.7 | 110.7 | R233 E419 | R233-R422 PolarHBondContact NH2-O 2.99Å; E419-R422 WeakPolarHBondContact O-CB 3.49Å; E419-R422 PolarHBondContact O-N 3.36Å |
| 423 | P | 61.6 | Low | 77.5 | Confident | 99 Ų | 99 | 106.9 Ų | 106.9 | 64% | 0.643 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 151.2 | 166.9 | 29.7 | -34.5 | 0 | 0 | 0 | 109.2 | D425 | P423-D425 PolarHBondContact O-N 3.18Š|
| 424 | Y | 63.8 | Low | 77.4 | Confident | 142 Ų | 142 | 108.4 Ų | 108.4 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 123.9 | 173.5 | -101.5 | -82 | 0 | 0 | 0 | 109.1 | H229 D428 | H229-Y424 HydrophobicContact CB-CD2 3.96Å; H229-Y424 HydrophobicContact CB-CE2 3.77Å; H229-Y424 AromaticContact CG-CE2 3.81Å; H229-Y424 AromaticContact ND1-CD2 3.38Å; H229-Y424 WeakPolarHBondContact ND1-CD2 3.31Å; H229-Y424 AromaticContact ND1-CE2 3.09Å; H229-Y424 WeakPolarHBondContact ND1-CE2 3.31Å; H229-Y424 AromaticContact ND1-CZ 3.59Å; Y424-D428 VanDerWaalsContact CA-OD2 3.25Å; Y424-D428 WeakPolarHBondContact CA-OD2 3.36Å; Y424-D428 HydrophobicContact CD1-CB 4.18Å; Y424-D428 WeakPolarHBondContact CD1-OD2 3.33Å; Y424-D428 HydrophobicContact CE1-CB 4.41Å |
| 425 | D | 65.6 | Low | 77.1 | Confident | 88 Ų | 88 | 105.6 Ų | 105.6 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | trans | -124.4 | 162 | -172 | -169.6 | 7.2 | 0 | 0 | 0 | 110.7 | P423 M427 D428 | P423-D425 PolarHBondContact O-N 3.18Å; D425-M427 HydrophobicContact CB-CB 4.3Å; D425-M427 PolarHBondContact O-N 2.71Å; D425-M427 WeakPolarHBondContact OD2-CG 3.49Å; D425-D428 PolarHBondContact N-OD2 3.12Å; D425-D428 WeakPolarHBondContact O-CB 3.27Å; D425-D428 PolarHBondContact O-N 3.32Å | ||
| 426 | V | 70.3 | Confident | 77.3 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.5 | -30.3 | 171 | -175 | 0 | 0 | 0 | 0 | 110.2 | D428 V429 I430 | V426-D428 VanDerWaalsContact C-N 3.27Å; V426-D428 PolarHBondContact O-N 3.34Å; V426-V429 WeakPolarHBondContact O-CB 3.45Å; V426-V429 PolarHBondContact O-N 3Å; V426-I430 HydrophobicContact CG1-CD1 4.35Å; V426-I430 PolarHBondContact O-N 3.46Å; V426-I430 VanDerWaalsContact O-N 3.11Å |
| 427 | M | 69.1 | Low | 77.8 | Confident | 124 Ų | 124 | 95.2 Ų | 95.2 | 61% | 0.611 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.9 | -32.2 | 171.2 | -67.1 | -64.4 | -178.6 | 0 | 0 | 113.7 | D425 V429 I430 E431 | D425-M427 HydrophobicContact CB-CB 4.3Å; D425-M427 PolarHBondContact O-N 2.71Å; D425-M427 WeakPolarHBondContact OD2-CG 3.49Å; M427-V429 VanDerWaalsContact C-N 3.31Å; M427-V429 PolarHBondContact O-N 3.15Å; M427-I430 PolarHBondContact O-N 3.09Å; M427-I430 HydrophobicContact SD-CD1 4.21Å; M427-E431 WeakPolarHBondContact O-CB 3.38Å; M427-E431 PolarHBondContact O-N 3.28Å |
| 428 | D | 75.1 | Confident | 78 | Confident | 47 Ų | 47 | 98.1 Ų | 98.1 | 25% | 0.251 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.7 | -32.4 | 175.3 | -64.6 | -52.5 | 0 | 0 | 0 | 111.6 | Y424 D425 V426 Q432 | Y424-D428 VanDerWaalsContact CA-OD2 3.25Å; Y424-D428 WeakPolarHBondContact CA-OD2 3.36Å; Y424-D428 HydrophobicContact CD1-CB 4.18Å; Y424-D428 WeakPolarHBondContact CD1-OD2 3.33Å; Y424-D428 HydrophobicContact CE1-CB 4.41Å; D425-D428 PolarHBondContact N-OD2 3.12Å; D425-D428 WeakPolarHBondContact O-CB 3.27Å; D425-D428 PolarHBondContact O-N 3.32Å; V426-D428 VanDerWaalsContact C-N 3.27Å; V426-D428 PolarHBondContact O-N 3.34Å; D428-Q432 VanDerWaalsContact O-CB 3.23Å; D428-Q432 WeakPolarHBondContact O-CB 3.38Å; D428-Q432 PolarHBondContact O-N 3.23Å |
| 429 | V | 76.3 | Confident | 78.4 | Confident | 98 Ų | 98 | 94.1 Ų | 94.1 | 59% | 0.594 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.4 | -38.8 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 110 | V426 M427 Y433 | V426-V429 WeakPolarHBondContact O-CB 3.45Å; V426-V429 PolarHBondContact O-N 3Å; M427-V429 VanDerWaalsContact C-N 3.31Å; M427-V429 PolarHBondContact O-N 3.15Å; V429-Y433 VanDerWaalsContact O-CB 3.22Å; V429-Y433 WeakPolarHBondContact O-CB 3.16Å; V429-Y433 PolarHBondContact O-N 3Å |
| 430 | I | 80.3 | Confident | 79 | Confident | 92 Ų | 92 | 95.6 Ų | 95.6 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 175.7 | -62.3 | 167.6 | 0 | 0 | 0 | 111.1 | V426 M427 Y433 S434 | V426-I430 HydrophobicContact CG1-CD1 4.35Å; V426-I430 PolarHBondContact O-N 3.46Å; V426-I430 VanDerWaalsContact O-N 3.11Å; M427-I430 PolarHBondContact O-N 3.09Å; M427-I430 HydrophobicContact SD-CD1 4.21Å; I430-Y433 PolarHBondContact O-N 3.42Å; I430-S434 VanDerWaalsContact O-CB 3.28Å; I430-S434 WeakPolarHBondContact O-CB 3.34Å; I430-S434 PolarHBondContact O-N 3.22Å; I430-S434 PolarHBondContact O-OG 3.47Å |
| 431 | E | 81.8 | Confident | 79.9 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 175.1 | -169.7 | 167.4 | 179.9 | 0 | 0 | 111 | M427 S434 A435 | M427-E431 WeakPolarHBondContact O-CB 3.38Å; M427-E431 PolarHBondContact O-N 3.28Å; E431-S434 WeakPolarHBondContact CA-OG 3.48Å; E431-S434 PolarHBondContact O-OG 3.09Å; E431-A435 WeakPolarHBondContact O-CB 3.06Å; E431-A435 PolarHBondContact O-N 3.25Å |
| 432 | Q | 80.8 | Confident | 80.8 | Confident | 158 Ų | 158 | 97.2 Ų | 97.2 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 174 | -175.5 | 174.6 | -24.9 | 0 | 0 | 112.4 | D428 G436 | D428-Q432 VanDerWaalsContact O-CB 3.23Å; D428-Q432 WeakPolarHBondContact O-CB 3.38Å; D428-Q432 PolarHBondContact O-N 3.23Å; Q432-G436 PolarHBondContact O-N 2.63Å |
| 433 | Y | 85.4 | Confident | 82 | Confident | 160 Ų | 160 | 97.6 Ų | 97.6 | 63% | 0.627 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -48.6 | 176.9 | 178.2 | -97.2 | 0 | 0 | 0 | 111.4 | V429 I430 A435 G436 H437 | V429-Y433 VanDerWaalsContact O-CB 3.22Å; V429-Y433 WeakPolarHBondContact O-CB 3.16Å; V429-Y433 PolarHBondContact O-N 3Å; I430-Y433 PolarHBondContact O-N 3.42Å; Y433-A435 PolarHBondContact O-N 3.02Å; Y433-G436 PolarHBondContact O-N 2.99Å; Y433-H437 HydrophobicContact CE1-CB 4.38Å; Y433-H437 WeakPolarHBondContact O-CB 3.24Å; Y433-H437 PolarHBondContact O-N 3.4Å |
| 434 | S | 86.6 | Confident | 83.6 | Confident | 60 Ų | 60 | 96.9 Ų | 96.9 | 42% | 0.42 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 179.2 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | I430 E431 L438 | I430-S434 VanDerWaalsContact O-CB 3.28Å; I430-S434 WeakPolarHBondContact O-CB 3.34Å; I430-S434 PolarHBondContact O-N 3.22Å; I430-S434 PolarHBondContact O-OG 3.47Å; E431-S434 WeakPolarHBondContact CA-OG 3.48Å; E431-S434 PolarHBondContact O-OG 3.09Å; S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.46Å |
| 435 | A | 85.8 | Confident | 85 | Confident | 58 Ų | 58 | 97.1 Ų | 97.1 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E431 Y433 L438 D439 | E431-A435 WeakPolarHBondContact O-CB 3.06Å; E431-A435 PolarHBondContact O-N 3.25Å; Y433-A435 PolarHBondContact O-N 3.02Å; A435-L438 PolarHBondContact O-N 3.12Å; A435-D439 PolarHBondContact O-N 3.11Å |
| 436 | G | 91.9 | Very high | 86.2 | Confident | 41 Ų | 41 | 96.8 Ų | 96.8 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q432 Y433 D439 M440 | Q432-G436 PolarHBondContact O-N 2.63Å; Y433-G436 PolarHBondContact O-N 2.99Å; G436-D439 PolarHBondContact O-N 3.15Å; G436-M440 WeakPolarHBondContact O-CB 3.32Å; G436-M440 PolarHBondContact O-N 3.28Å |
| 437 | H | 93.2 | Very high | 87.3 | Confident | 73 Ų | 73 | 97 Ų | 97 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 176 | -171.6 | -99.8 | 0 | 0 | 0 | 111.8 | Y433 M440 L441 | Y433-H437 HydrophobicContact CE1-CB 4.38Å; Y433-H437 WeakPolarHBondContact O-CB 3.24Å; Y433-H437 PolarHBondContact O-N 3.4Å; H437-M440 PolarHBondContact O-N 2.94Å; H437-L441 WeakPolarHBondContact O-CB 3.22Å; H437-L441 VanDerWaalsContact O-CG 3.31Å; H437-L441 WeakPolarHBondContact O-CG 3.25Å; H437-L441 PolarHBondContact O-N 3.4Å |
| 438 | L | 92.1 | Very high | 88.2 | Confident | 121 Ų | 121 | 96.1 Ų | 96.1 | 63% | 0.634 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.8 | -41.5 | 175.7 | -176.1 | 64.4 | 0 | 0 | 0 | 112.4 | S434 A435 L441 C442 | S434-L438 WeakPolarHBondContact O-CB 3.41Å; S434-L438 PolarHBondContact O-N 3.46Å; A435-L438 PolarHBondContact O-N 3.12Å; L438-L441 PolarHBondContact O-N 2.98Å; L438-C442 VanDerWaalsContact O-CB 3.29Å; L438-C442 WeakPolarHBondContact O-CB 3.3Å; L438-C442 PolarHBondContact O-N 3.11Å |
| 439 | D | 93.3 | Very high | 88.8 | Confident | 76 Ų | 76 | 97.6 Ų | 97.6 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 172.7 | 179.4 | 25.4 | 0 | 0 | 0 | 110.9 | A435 G436 L441 C442 R443 | A435-D439 PolarHBondContact O-N 3.11Å; G436-D439 PolarHBondContact O-N 3.15Å; D439-L441 PolarHBondContact O-N 2.92Å; D439-C442 WeakPolarHBondContact O-CB 3.33Å; D439-C442 PolarHBondContact O-N 3.31Å; D439-R443 VanDerWaalsContact CG-NE 3.3Å; D439-R443 VanDerWaalsContact O-CG 3.27Å; D439-R443 WeakPolarHBondContact O-CG 3.47Å; D439-R443 PolarHBondContact O-N 3.41Å; D439-R443 IonicContact OD1-CZ 3.31Å; D439-R443 IonicContact OD1-NE 3.22Å; D439-R443 PolarHBondContact OD1-NE 3.44Å; D439-R443 IonicContact OD1-NH2 2.68Å; D439-R443 IonicContact OD2-CZ 2.66Å; D439-R443 VanDerWaalsContact OD2-CZ 3.31Å; D439-R443 IonicContact OD2-NE 3.68Å; D439-R443 PolarHBondContact OD2-NE 3.34Å; D439-R443 IonicContact OD2-NH2 2.87Å; D439-R443 PolarHBondContact OD2-NH2 3.43Å |
| 440 | M | 91.6 | Very high | 89.3 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.4 | -173.1 | -176.8 | 75.1 | 0 | 0 | 112.1 | G436 H437 C442 R443 I444 | G436-M440 WeakPolarHBondContact O-CB 3.32Å; G436-M440 PolarHBondContact O-N 3.28Å; H437-M440 PolarHBondContact O-N 2.94Å; M440-C442 VanDerWaalsContact C-N 3.32Å; M440-C442 PolarHBondContact O-N 2.78Å; M440-R443 PolarHBondContact O-N 2.95Å; M440-I444 HydrophobicContact CE-CD1 4.49Å; M440-I444 HydrophobicContact CG-CD1 3.93Å; M440-I444 VanDerWaalsContact O-CG1 3.29Å; M440-I444 WeakPolarHBondContact O-CG1 3.42Å; M440-I444 PolarHBondContact O-N 3.32Å |
| 441 | L | 93.6 | Very high | 89.8 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 175.2 | -78.5 | 173.5 | 0 | 0 | 0 | 112.6 | H437 L438 D439 I444 K445 | H437-L441 WeakPolarHBondContact O-CB 3.22Å; H437-L441 VanDerWaalsContact O-CG 3.31Å; H437-L441 WeakPolarHBondContact O-CG 3.25Å; H437-L441 PolarHBondContact O-N 3.4Å; L438-L441 PolarHBondContact O-N 2.98Å; D439-L441 PolarHBondContact O-N 2.92Å; L441-I444 PolarHBondContact O-N 3.14Å; L441-K445 WeakPolarHBondContact O-CB 3.39Å; L441-K445 WeakPolarHBondContact O-CG 3.4Å; L441-K445 PolarHBondContact O-N 2.88Å |
| 442 | C | 91.6 | Very high | 89.7 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | L438 D439 M440 K445 N446 | L438-C442 VanDerWaalsContact O-CB 3.29Å; L438-C442 WeakPolarHBondContact O-CB 3.3Å; L438-C442 PolarHBondContact O-N 3.11Å; D439-C442 WeakPolarHBondContact O-CB 3.33Å; D439-C442 PolarHBondContact O-N 3.31Å; M440-C442 VanDerWaalsContact C-N 3.32Å; M440-C442 PolarHBondContact O-N 2.78Å; C442-K445 PolarHBondContact O-N 3.41Å; C442-N446 WeakPolarHBondContact O-CB 3.37Å; C442-N446 PolarHBondContact O-N 2.9Å |
| 443 | R | 93 | Very high | 89.6 | Confident | 162 Ų | 162 | 98.4 Ų | 98.4 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 174 | -66.3 | 167.4 | -170.3 | -144.6 | 10.8 | 111.9 | D439 M440 N446 L447 | D439-R443 VanDerWaalsContact CG-NE 3.3Å; D439-R443 VanDerWaalsContact O-CG 3.27Å; D439-R443 WeakPolarHBondContact O-CG 3.47Å; D439-R443 PolarHBondContact O-N 3.41Å; D439-R443 IonicContact OD1-CZ 3.31Å; D439-R443 IonicContact OD1-NE 3.22Å; D439-R443 PolarHBondContact OD1-NE 3.44Å; D439-R443 IonicContact OD1-NH2 2.68Å; D439-R443 IonicContact OD2-CZ 2.66Å; D439-R443 VanDerWaalsContact OD2-CZ 3.31Å; D439-R443 IonicContact OD2-NE 3.68Å; D439-R443 PolarHBondContact OD2-NE 3.34Å; D439-R443 IonicContact OD2-NH2 2.87Å; D439-R443 PolarHBondContact OD2-NH2 3.43Å; M440-R443 PolarHBondContact O-N 2.95Å; R443-N446 PolarHBondContact O-N 3.46Å; R443-L447 WeakPolarHBondContact O-CB 3.27Å; R443-L447 PolarHBondContact O-N 2.93Å |
| 444 | I | 94.1 | Very high | 89.4 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 43% | 0.431 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 175.9 | -69.5 | 165.1 | 0 | 0 | 0 | 110.5 | M440 L441 N446 L447 Q448 | M440-I444 HydrophobicContact CE-CD1 4.49Å; M440-I444 HydrophobicContact CG-CD1 3.93Å; M440-I444 VanDerWaalsContact O-CG1 3.29Å; M440-I444 WeakPolarHBondContact O-CG1 3.42Å; M440-I444 PolarHBondContact O-N 3.32Å; L441-I444 PolarHBondContact O-N 3.14Å; I444-N446 PolarHBondContact O-N 2.77Å; I444-L447 PolarHBondContact O-N 3.25Å; I444-Q448 WeakPolarHBondContact O-CB 3.42Å; I444-Q448 PolarHBondContact O-N 3.36Å |
| 445 | K | 93.2 | Very high | 88.8 | Confident | 147 Ų | 147 | 100 Ų | 100 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.7 | -35.6 | 176.7 | -76.4 | -173.6 | 173.4 | -171.4 | 0 | 113.3 | L441 C442 S449 | L441-K445 WeakPolarHBondContact O-CB 3.39Å; L441-K445 WeakPolarHBondContact O-CG 3.4Å; L441-K445 PolarHBondContact O-N 2.88Å; C442-K445 PolarHBondContact O-N 3.41Å; K445-S449 VanDerWaalsContact O-CB 3.27Å; K445-S449 WeakPolarHBondContact O-CB 3.2Å; K445-S449 PolarHBondContact O-N 2.93Å |
| 446 | N | 91.7 | Very high | 87.9 | Confident | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 173.9 | -165.7 | -32.4 | 0 | 0 | 0 | 110.9 | C442 R443 I444 R450 | C442-N446 WeakPolarHBondContact O-CB 3.37Å; C442-N446 PolarHBondContact O-N 2.9Å; R443-N446 PolarHBondContact O-N 3.46Å; I444-N446 PolarHBondContact O-N 2.77Å; N446-R450 VanDerWaalsContact O-CG 3.25Å; N446-R450 WeakPolarHBondContact O-CG 3.26Å; N446-R450 PolarHBondContact O-N 3.46Å; N446-R450 PolarHBondContact OD1-NE 2.99Å |
| 447 | L | 92.7 | Very high | 86.4 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 174.3 | -169.2 | 71.9 | 0 | 0 | 0 | 111.7 | R443 I444 R450 I451 | R443-L447 WeakPolarHBondContact O-CB 3.27Å; R443-L447 PolarHBondContact O-N 2.93Å; I444-L447 PolarHBondContact O-N 3.25Å; L447-R450 WeakPolarHBondContact O-CB 3.25Å; L447-R450 PolarHBondContact O-N 3.46Å; L447-I451 HydrophobicContact CD2-CD1 4.48Å; L447-I451 HydrophobicContact CG-CD1 4.02Å; L447-I451 VanDerWaalsContact O-CG1 3.31Å; L447-I451 WeakPolarHBondContact O-CG1 3.48Å; L447-I451 PolarHBondContact O-N 2.83Å |
| 448 | Q | 88.4 | Confident | 84.5 | Confident | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -49.1 | 176.1 | -176.3 | 173.5 | 4.7 | 0 | 0 | 111 | I444 R450 I451 D452 | I444-Q448 WeakPolarHBondContact O-CB 3.42Å; I444-Q448 PolarHBondContact O-N 3.36Å; Q448-R450 PolarHBondContact O-N 2.97Å; Q448-I451 CarbonylContact O-C 3.58Å; Q448-I451 WeakPolarHBondContact O-CA 3.32Å; Q448-I451 PolarHBondContact O-N 3.39Å; Q448-D452 WeakPolarHBondContact O-CB 3.49Å; Q448-D452 PolarHBondContact O-N 3.44Å |
| 449 | S | 86.9 | Confident | 82.5 | Confident | 77 Ų | 77 | 104.1 Ų | 104.1 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.6 | -32.3 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 113.2 | K445 M453 | K445-S449 VanDerWaalsContact O-CB 3.27Å; K445-S449 WeakPolarHBondContact O-CB 3.2Å; K445-S449 PolarHBondContact O-N 2.93Å; S449-M453 WeakPolarHBondContact O-CB 3.41Å; S449-M453 PolarHBondContact O-N 3.48Å |
| 450 | R | 88 | Confident | 80.3 | Confident | 145 Ų | 145 | 106.8 Ų | 106.8 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.5 | -40.8 | 172 | -70.9 | 167.8 | -174.7 | -119.3 | -4.4 | 112.1 | N446 L447 Q448 M453 I454 | N446-R450 VanDerWaalsContact O-CG 3.25Å; N446-R450 WeakPolarHBondContact O-CG 3.26Å; N446-R450 PolarHBondContact O-N 3.46Å; N446-R450 PolarHBondContact OD1-NE 2.99Å; L447-R450 WeakPolarHBondContact O-CB 3.25Å; L447-R450 PolarHBondContact O-N 3.46Å; Q448-R450 PolarHBondContact O-N 2.97Å; R450-M453 PolarHBondContact O-N 2.95Å; R450-I454 WeakPolarHBondContact O-CD1 2.99Å; R450-I454 VanDerWaalsContact O-CG1 3.22Å; R450-I454 WeakPolarHBondContact O-CG1 3.31Å; R450-I454 PolarHBondContact O-N 3.22Å |
| 451 | I | 89.4 | Confident | 77.9 | Confident | 83 Ų | 83 | 107.7 Ų | 107.7 | 43% | 0.426 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -47 | 176.2 | -70.7 | 164.6 | 0 | 0 | 0 | 110.4 | L447 Q448 M453 I454 V455 | L447-I451 HydrophobicContact CD2-CD1 4.48Å; L447-I451 HydrophobicContact CG-CD1 4.02Å; L447-I451 VanDerWaalsContact O-CG1 3.31Å; L447-I451 WeakPolarHBondContact O-CG1 3.48Å; L447-I451 PolarHBondContact O-N 2.83Å; Q448-I451 CarbonylContact O-C 3.58Å; Q448-I451 WeakPolarHBondContact O-CA 3.32Å; Q448-I451 PolarHBondContact O-N 3.39Å; I451-M453 PolarHBondContact O-N 3.17Å; I451-I454 CarbonylContact O-C 3.56Å; I451-I454 PolarHBondContact O-N 3.02Å; I451-V455 HydrophobicContact CG2-CG2 4.01Å; I451-V455 WeakPolarHBondContact O-CB 3.33Å; I451-V455 WeakPolarHBondContact O-CG2 3.39Å; I451-V455 PolarHBondContact O-N 3.4Å |
| 452 | D | 81.3 | Confident | 75.3 | Confident | 89 Ų | 89 | 111.3 Ų | 111.3 | 48% | 0.476 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.8 | -33.8 | 177.9 | -62.2 | -23.4 | 0 | 0 | 0 | 111.4 | Q448 G456 | Q448-D452 WeakPolarHBondContact O-CB 3.49Å; Q448-D452 PolarHBondContact O-N 3.44Å; D452-G456 WeakPolarHBondContact O-CA 3.37Å; D452-G456 PolarHBondContact O-N 2.92Å |
| 453 | M | 78.2 | Confident | 73.3 | Confident | 155 Ų | 155 | 113.1 Ų | 113.1 | 76% | 0.764 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.3 | -26.8 | 173.3 | -170 | 180 | 74.6 | 0 | 0 | 113.6 | S449 R450 I451 | S449-M453 WeakPolarHBondContact O-CB 3.41Å; S449-M453 PolarHBondContact O-N 3.48Å; R450-M453 PolarHBondContact O-N 2.95Å; I451-M453 PolarHBondContact O-N 3.17Å |
| 454 | I | 79.8 | Confident | 70.4 | Confident | 141 Ų | 141 | 116.7 Ų | 116.7 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -85 | -39.6 | 177.7 | -70.7 | 162.7 | 0 | 0 | 0 | 111.6 | R450 I451 | R450-I454 WeakPolarHBondContact O-CD1 2.99Å; R450-I454 VanDerWaalsContact O-CG1 3.22Å; R450-I454 WeakPolarHBondContact O-CG1 3.31Å; R450-I454 PolarHBondContact O-N 3.22Å; I451-I454 CarbonylContact O-C 3.56Å; I451-I454 PolarHBondContact O-N 3.02Å |
| 455 | V | 75.6 | Confident | 67.4 | Low | 112 Ų | 112 | 120.9 Ų | 120.9 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.2 | -36.5 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 111 | I451 | I451-V455 HydrophobicContact CG2-CG2 4.01Å; I451-V455 WeakPolarHBondContact O-CB 3.33Å; I451-V455 WeakPolarHBondContact O-CG2 3.39Å; I451-V455 PolarHBondContact O-N 3.4Å |
| 456 | G | 65.5 | Low | 64.7 | Low | 30 Ų | 30 | 123 Ų | 123 | 31% | 0.309 | 66% | 0.664 | S | S | . | * | trans | 71.9 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | D452 | D452-G456 WeakPolarHBondContact O-CA 3.37Å; D452-G456 PolarHBondContact O-N 2.92Å | ||
| 457 | P | 62.2 | Low | 61.8 | Low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -64 | 141.3 | 169.8 | -17.2 | 31.3 | 0 | 0 | 0 | 110.4 | ||
| 458 | P | 52 | Low | 58.7 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 137.8 | 178.5 | 25 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 459 | P | 49.8 | Very low | 56.1 | Low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 134.2 | -173.8 | 25.5 | -34.1 | 0 | 0 | 0 | 111.8 | T461 | P459-T461 VanDerWaalsContact C-N 3.29Å; P459-T461 PolarHBondContact O-N 2.92Å |
| 460 | P | 48.5 | Very low | 53.4 | Low | 133 Ų | 133 | 134.6 Ų | 134.6 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -83 | 57.7 | -169.3 | 34.4 | -38.2 | 0 | 0 | 0 | 114 | ||||
| 461 | T | 40.9 | Very low | 50.6 | Low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | trans | -147.4 | 97.1 | 176.2 | 35.5 | 0 | 0 | 0 | 0 | 114.4 | P459 | P459-T461 VanDerWaalsContact C-N 3.29Å; P459-T461 PolarHBondContact O-N 2.92Å | ||
| 462 | T | 38.6 | Very low | 48.6 | Very low | 146 Ų | 146 | 133 Ų | 133 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | -177.5 | 151.9 | 119.3 | 25 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 463 | P | 48.5 | Very low | 46.2 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -118.3 | 131.9 | -170 | 37.2 | -24.4 | 0 | 0 | 0 | 115.2 | ||||
| 464 | R | 32.9 | Very low | 43.9 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -147.1 | 130.5 | 160 | -81 | -155.6 | 169.7 | -166.4 | -3.6 | 115.7 | ||||
| 465 | H | 31.7 | Very low | 41.5 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 72.2 | 147.9 | -75.8 | -84 | 0 | 0 | 0 | 123.5 | ||||
| 466 | K | 36.1 | Very low | 39.8 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -36.4 | 129.5 | 141.3 | 173.4 | -172.2 | -174.4 | 177.2 | 0 | 117.5 | ||||
| 467 | K | 29.9 | Very low | 38.1 | Very low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 171.8 | 149.6 | 137.4 | -99.6 | -178.8 | 177.2 | -172.2 | 0 | 108.4 | ||||
| 468 | S | 29.1 | Very low | 37 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | cis | -132.7 | 147.3 | -1.9 | 42.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 469 | T | 33.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | cis | 72.4 | 92.5 | 49.9 | -50.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 470 | E | 30.5 | Very low | 36.1 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | -177.5 | 160.4 | 124.6 | -105.5 | -178.3 | -169.8 | 0 | 0 | 113.3 | |||||
| 471 | G | 29.1 | Very low | 36.5 | Very low | 74 Ų | 74 | 148.1 Ų | 148.1 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | trans | 85.3 | 119.6 | 154 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 472 | P | 46.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -124.1 | 149 | 171.5 | 38.6 | -26.7 | 0 | 0 | 0 | 115 | ||||
| 473 | R | 30.6 | Very low | 38.3 | Very low | 219 Ų | 219 | 145.8 Ų | 145.8 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | 170.4 | 144.6 | 118.7 | -97.8 | -177.7 | 163.1 | 155.7 | 0.8 | 115.6 | |||||
| 474 | D | 31.7 | Very low | 38.6 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 47.7 | 115.5 | 139.9 | -45.7 | -23 | 0 | 0 | 0 | 120.1 | ||||
| 475 | G | 28.4 | Very low | 40.2 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | -179.2 | 86.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 476 | E | 40.5 | Very low | 41.8 | Very low | 207 Ų | 207 | 135 Ų | 135 | 97% | 0.967 | 74% | 0.738 | S | S | * | * | trans | -72.7 | 127.7 | 176.7 | -173.6 | 177.6 | 175.8 | 0 | 0 | 110.6 | ||||
| 477 | G | 30 | Very low | 43.2 | Very low | 66 Ų | 66 | 130.1 Ų | 130.1 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | trans | -167 | 89.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 478 | V | 39.1 | Very low | 45 | Very low | 131 Ų | 131 | 124 Ų | 124 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | 40.2 | 110.1 | 152.5 | -171.6 | 0 | 0 | 0 | 0 | 117.8 | D480 | V478-D480 PolarHBondContact O-N 2.87Å; V478-D480 VanDerWaalsContact O-N 3.08Å | ||
| 479 | E | 44.2 | Very low | 46.9 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | trans | -61.1 | 109.3 | 160.4 | -72.1 | -164.5 | 138 | 0 | 0 | 110.6 | Q481 | E479-Q481 PolarHBondContact O-N 3.47Š| ||
| 480 | D | 38.3 | Very low | 48.9 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 79% | 0.786 | 69% | 0.687 | S | S | * | * | trans | -72.5 | 129.7 | -173 | -154.2 | -10.9 | 0 | 0 | 0 | 112.3 | V478 S482 | V478-D480 PolarHBondContact O-N 2.87Å; V478-D480 VanDerWaalsContact O-N 3.08Å; D480-S482 PolarHBondContact O-N 2.87Å | ||
| 481 | Q | 56 | Low | 51 | Low | 146 Ų | 146 | 120.8 Ų | 120.8 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | trans | -79.6 | 38.4 | -166.9 | -62.4 | -169.7 | 1.6 | 0 | 0 | 113.9 | E479 M483 R486 | E479-Q481 PolarHBondContact O-N 3.47Å; Q481-M483 PolarHBondContact O-N 2.8Å; Q481-R486 PolarHBondContact O-NE 3.33Å; Q481-R486 PolarHBondContact O-NH2 3.44Å | ||
| 482 | S | 66.4 | Low | 53.3 | Low | 62 Ų | 62 | 125 Ų | 125 | 43% | 0.434 | 67% | 0.665 | S | S | . | * | trans | -50.2 | 135.1 | -173.7 | 180 | 0 | 0 | 0 | 0 | 113 | D480 M484 G485 R486 | D480-S482 PolarHBondContact O-N 2.87Å; S482-M484 PolarHBondContact O-N 3.5Å; S482-M484 WeakPolarHBondContact OG-CB 3.46Å; S482-M484 PolarHBondContact OG-N 3.42Å; S482-M484 VanDerWaalsContact OG-N 3.17Å; S482-G485 PolarHBondContact O-N 3.23Å; S482-R486 PolarHBondContact O-N 3.4Å; S482-R486 VanDerWaalsContact O-N 3.14Å | ||
| 483 | M | 52.4 | Low | 54.6 | Low | 149 Ų | 149 | 126 Ų | 126 | 73% | 0.734 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -53.4 | -33.5 | 169.6 | -73.4 | -76.9 | -77.1 | 0 | 0 | 111.4 | Q481 R486 L487 | Q481-M483 PolarHBondContact O-N 2.8Å; M483-R486 PolarHBondContact O-N 3.14Å; M483-L487 WeakPolarHBondContact O-CB 3.42Å; M483-L487 PolarHBondContact O-N 3.39Å |
| 484 | M | 54.8 | Low | 56.9 | Low | 123 Ų | 123 | 119 Ų | 119 | 61% | 0.606 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.6 | -41.8 | 175.5 | -165.5 | 67.6 | 76.9 | 0 | 0 | 111.9 | S482 R486 L487 V488 | S482-M484 PolarHBondContact O-N 3.5Å; S482-M484 WeakPolarHBondContact OG-CB 3.46Å; S482-M484 PolarHBondContact OG-N 3.42Å; S482-M484 VanDerWaalsContact OG-N 3.17Å; M484-R486 VanDerWaalsContact C-N 3.29Å; M484-R486 PolarHBondContact O-N 2.87Å; M484-L487 PolarHBondContact O-N 3.06Å; M484-L487 HydrophobicContact SD-CD2 4.28Å; M484-V488 WeakPolarHBondContact O-CB 3.2Å; M484-V488 WeakPolarHBondContact O-CG2 3.27Å; M484-V488 PolarHBondContact O-N 3.5Å |
| 485 | G | 65.3 | Low | 59 | Low | 40 Ų | 40 | 118.5 Ų | 118.5 | 41% | 0.412 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.2 | -32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | S482 K489 | S482-G485 PolarHBondContact O-N 3.23Å; G485-K489 PolarHBondContact O-N 3.19Å; G485-K489 VanDerWaalsContact O-N 3.17Å |
| 486 | R | 64.8 | Low | 61.2 | Low | 136 Ų | 136 | 117.9 Ų | 117.9 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.9 | -44.2 | 170.7 | -73.1 | -177.5 | -108.2 | -166.1 | -7.2 | 112 | Q481 S482 M483 M484 K489 V490 | Q481-R486 PolarHBondContact O-NE 3.33Å; Q481-R486 PolarHBondContact O-NH2 3.44Å; S482-R486 PolarHBondContact O-N 3.4Å; S482-R486 VanDerWaalsContact O-N 3.14Å; M483-R486 PolarHBondContact O-N 3.14Å; M484-R486 VanDerWaalsContact C-N 3.29Å; M484-R486 PolarHBondContact O-N 2.87Å; R486-K489 PolarHBondContact O-N 3.22Å; R486-V490 WeakPolarHBondContact O-CG2 3.48Å; R486-V490 PolarHBondContact O-N 2.87Å |
| 487 | L | 67 | Low | 63.1 | Low | 87 Ų | 87 | 113.2 Ų | 113.2 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.1 | -48.4 | 175.5 | -177.8 | 61.9 | 0 | 0 | 0 | 111.4 | M483 M484 K489 V490 E491 | M483-L487 WeakPolarHBondContact O-CB 3.42Å; M483-L487 PolarHBondContact O-N 3.39Å; M484-L487 PolarHBondContact O-N 3.06Å; M484-L487 HydrophobicContact SD-CD2 4.28Å; L487-K489 VanDerWaalsContact C-N 3.31Å; L487-K489 PolarHBondContact O-N 3.13Å; L487-V490 CarbonylContact O-C 3.58Å; L487-V490 WeakPolarHBondContact O-CA 3.47Å; L487-V490 WeakPolarHBondContact O-CB 3.49Å; L487-V490 PolarHBondContact O-N 2.81Å; L487-E491 HydrophobicContact CD1-CG 4.47Å; L487-E491 HydrophobicContact CG-CG 4.45Å; L487-E491 WeakPolarHBondContact O-CG 3.38Å; L487-E491 PolarHBondContact O-N 2.89Å |
| 488 | V | 66.8 | Low | 65.1 | Low | 73 Ų | 73 | 114.3 Ų | 114.3 | 44% | 0.442 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.5 | -34.7 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 112.1 | M484 K492 | M484-V488 WeakPolarHBondContact O-CB 3.2Å; M484-V488 WeakPolarHBondContact O-CG2 3.27Å; M484-V488 PolarHBondContact O-N 3.5Å; V488-K492 WeakPolarHBondContact O-CB 3.46Å; V488-K492 PolarHBondContact O-N 3.4Å |
| 489 | K | 70.1 | Confident | 67.1 | Low | 159 Ų | 159 | 116.2 Ų | 116.2 | 69% | 0.691 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 170 | -86.9 | -179.9 | 176.7 | 171.5 | 0 | 111.8 | G485 R486 L487 Q493 | G485-K489 PolarHBondContact O-N 3.19Å; G485-K489 VanDerWaalsContact O-N 3.17Å; R486-K489 PolarHBondContact O-N 3.22Å; L487-K489 VanDerWaalsContact C-N 3.31Å; L487-K489 PolarHBondContact O-N 3.13Å; K489-Q493 VanDerWaalsContact O-CB 3.32Å; K489-Q493 WeakPolarHBondContact O-CB 3.41Å; K489-Q493 PolarHBondContact O-N 3.06Å |
| 490 | V | 75.2 | Confident | 68.8 | Low | 79 Ų | 79 | 114.1 Ų | 114.1 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -47.2 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | R486 L487 K492 Q493 V494 | R486-V490 WeakPolarHBondContact O-CG2 3.48Å; R486-V490 PolarHBondContact O-N 2.87Å; L487-V490 CarbonylContact O-C 3.58Å; L487-V490 WeakPolarHBondContact O-CA 3.47Å; L487-V490 WeakPolarHBondContact O-CB 3.49Å; L487-V490 PolarHBondContact O-N 2.81Å; V490-K492 VanDerWaalsContact C-N 3.33Å; V490-K492 PolarHBondContact O-N 2.94Å; V490-Q493 CarbonylContact O-C 3.55Å; V490-Q493 PolarHBondContact O-N 3.12Å; V490-Q493 VanDerWaalsContact O-N 3.12Å; V490-V494 HydrophobicContact CG1-CG2 4.21Å; V490-V494 WeakPolarHBondContact O-CB 3.25Å; V490-V494 WeakPolarHBondContact O-CG2 3.33Å; V490-V494 PolarHBondContact O-N 2.96Å |
| 491 | E | 74.4 | Confident | 70.6 | Confident | 108 Ų | 108 | 111.4 Ų | 111.4 | 51% | 0.505 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.1 | -46.1 | 175.6 | -70.5 | 175.5 | 151 | 0 | 0 | 111.4 | L487 Q493 V494 F495 | L487-E491 HydrophobicContact CD1-CG 4.47Å; L487-E491 HydrophobicContact CG-CG 4.45Å; L487-E491 WeakPolarHBondContact O-CG 3.38Å; L487-E491 PolarHBondContact O-N 2.89Å; E491-Q493 VanDerWaalsContact C-N 3.29Å; E491-Q493 PolarHBondContact O-N 2.65Å; E491-V494 PolarHBondContact O-N 2.76Å; E491-F495 VanDerWaalsContact O-CB 3.32Å; E491-F495 WeakPolarHBondContact O-CB 3.44Å; E491-F495 PolarHBondContact O-N 2.65Å |
| 492 | K | 77.6 | Confident | 71.3 | Confident | 162 Ų | 162 | 108.7 Ų | 108.7 | 70% | 0.704 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -28.6 | 178.3 | -159.1 | 168.3 | -168.8 | 171.9 | 0 | 112.6 | V488 V490 C496 | V488-K492 WeakPolarHBondContact O-CB 3.46Å; V488-K492 PolarHBondContact O-N 3.4Å; V490-K492 VanDerWaalsContact C-N 3.33Å; V490-K492 PolarHBondContact O-N 2.94Å; K492-C496 VanDerWaalsContact O-CB 3.3Å; K492-C496 WeakPolarHBondContact O-CB 3.38Å; K492-C496 PolarHBondContact O-N 2.89Å |
| 493 | Q | 73.3 | Confident | 72 | Confident | 142 Ų | 142 | 112.6 Ų | 112.6 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -76.6 | -42.2 | 172.7 | -176.2 | 174.2 | -3.2 | 0 | 0 | 112.1 | K489 V490 E491 C496 M497 | K489-Q493 VanDerWaalsContact O-CB 3.32Å; K489-Q493 WeakPolarHBondContact O-CB 3.41Å; K489-Q493 PolarHBondContact O-N 3.06Å; V490-Q493 CarbonylContact O-C 3.55Å; V490-Q493 PolarHBondContact O-N 3.12Å; V490-Q493 VanDerWaalsContact O-N 3.12Å; E491-Q493 VanDerWaalsContact C-N 3.29Å; E491-Q493 PolarHBondContact O-N 2.65Å; Q493-C496 PolarHBondContact O-N 2.86Å; Q493-M497 PolarHBondContact O-N 3.31Å |
| 494 | V | 78.9 | Confident | 73.1 | Confident | 73 Ų | 73 | 111 Ų | 111 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 174.8 | 169.5 | 0 | 0 | 0 | 0 | 110 | V490 E491 C496 M497 D498 | V490-V494 HydrophobicContact CG1-CG2 4.21Å; V490-V494 WeakPolarHBondContact O-CB 3.25Å; V490-V494 WeakPolarHBondContact O-CG2 3.33Å; V490-V494 PolarHBondContact O-N 2.96Å; E491-V494 PolarHBondContact O-N 2.76Å; V494-C496 VanDerWaalsContact C-N 3.27Å; V494-C496 PolarHBondContact O-N 3.42Å; V494-M497 CarbonylContact O-C 3.57Å; V494-M497 WeakPolarHBondContact O-CA 3.26Å; V494-M497 WeakPolarHBondContact O-CB 3.47Å; V494-M497 PolarHBondContact O-N 2.88Å; V494-D498 PolarHBondContact O-N 3.47Å |
| 495 | F | 76 | Confident | 74 | Confident | 133 Ų | 133 | 108.7 Ų | 108.7 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.9 | -35.1 | 175 | -173.2 | -102.7 | 0 | 0 | 0 | 112.9 | E491 R499 | E491-F495 VanDerWaalsContact O-CB 3.32Å; E491-F495 WeakPolarHBondContact O-CB 3.44Å; E491-F495 PolarHBondContact O-N 2.65Å; F495-R499 WeakPolarHBondContact O-CG 3.45Å; F495-R499 PolarHBondContact O-N 3.25Å; F495-R499 VanDerWaalsContact O-N 3.13Å |
| 496 | C | 74.4 | Confident | 74.3 | Confident | 68 Ų | 68 | 110.4 Ų | 110.4 | 46% | 0.459 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73 | -27 | 173.8 | -169.1 | 0 | 0 | 0 | 0 | 112.8 | K492 Q493 V494 K500 | K492-C496 VanDerWaalsContact O-CB 3.3Å; K492-C496 WeakPolarHBondContact O-CB 3.38Å; K492-C496 PolarHBondContact O-N 2.89Å; Q493-C496 PolarHBondContact O-N 2.86Å; V494-C496 VanDerWaalsContact C-N 3.27Å; V494-C496 PolarHBondContact O-N 3.42Å; C496-K500 VanDerWaalsContact O-CG 3.3Å; C496-K500 WeakPolarHBondContact O-CG 3.49Å; C496-K500 PolarHBondContact O-N 3.34Å |
| 497 | M | 80.4 | Confident | 74.9 | Confident | 109 Ų | 109 | 106.6 Ų | 106.6 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.6 | -38.8 | 171.8 | -172 | 174 | 70.1 | 0 | 0 | 111.6 | Q493 V494 K500 L501 | Q493-M497 PolarHBondContact O-N 3.31Å; V494-M497 CarbonylContact O-C 3.57Å; V494-M497 WeakPolarHBondContact O-CA 3.26Å; V494-M497 WeakPolarHBondContact O-CB 3.47Å; V494-M497 PolarHBondContact O-N 2.88Å; M497-K500 CarbonylContact O-C 3.54Å; M497-K500 WeakPolarHBondContact O-CA 3.44Å; M497-K500 WeakPolarHBondContact O-CB 3.39Å; M497-K500 PolarHBondContact O-N 3.44Å; M497-K500 VanDerWaalsContact O-N 3.09Å; M497-L501 PolarHBondContact O-N 3.24Å |
| 498 | D | 71.4 | Confident | 74.9 | Confident | 88 Ų | 88 | 109.6 Ų | 109.6 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.1 | -53.4 | 175.3 | -131 | 25.4 | 0 | 0 | 0 | 110.3 | V494 K500 L501 D502 | V494-D498 PolarHBondContact O-N 3.47Å; D498-K500 PolarHBondContact O-N 3.07Å; D498-K500 VanDerWaalsContact O-N 3.08Å; D498-L501 CarbonylContact O-C 3.52Å; D498-L501 WeakPolarHBondContact O-CA 3.42Å; D498-L501 WeakPolarHBondContact O-CB 3.4Å; D498-L501 PolarHBondContact O-N 2.82Å; D498-D502 PolarHBondContact O-N 2.69Å |
| 499 | R | 80.8 | Confident | 74.9 | Confident | 171 Ų | 171 | 107.4 Ų | 107.4 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.9 | -21.5 | 175.4 | -66.8 | -168.9 | 70.6 | -173.2 | 2.3 | 114.2 | F495 F503 | F495-R499 WeakPolarHBondContact O-CG 3.45Å; F495-R499 PolarHBondContact O-N 3.25Å; F495-R499 VanDerWaalsContact O-N 3.13Å; R499-F503 WeakPolarHBondContact O-CB 3.35Å; R499-F503 PolarHBondContact O-N 3.37Å |
| 500 | K | 80.4 | Confident | 74.5 | Confident | 142 Ų | 142 | 107.5 Ų | 107.5 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82.5 | -34.4 | 172 | -77 | 175 | -179.3 | -177.2 | 0 | 112.1 | C496 M497 D498 L504 | C496-K500 VanDerWaalsContact O-CG 3.3Å; C496-K500 WeakPolarHBondContact O-CG 3.49Å; C496-K500 PolarHBondContact O-N 3.34Å; M497-K500 CarbonylContact O-C 3.54Å; M497-K500 WeakPolarHBondContact O-CA 3.44Å; M497-K500 WeakPolarHBondContact O-CB 3.39Å; M497-K500 PolarHBondContact O-N 3.44Å; M497-K500 VanDerWaalsContact O-N 3.09Å; D498-K500 PolarHBondContact O-N 3.07Å; D498-K500 VanDerWaalsContact O-N 3.08Å; K500-L504 WeakPolarHBondContact O-CB 3.27Å; K500-L504 PolarHBondContact O-N 3.42Å |
| 501 | L | 77.5 | Confident | 73.6 | Confident | 89 Ų | 89 | 114.4 Ų | 114.4 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 169.7 | -77.4 | 168.8 | 0 | 0 | 0 | 110.4 | M497 D498 F503 L504 V505 | M497-L501 PolarHBondContact O-N 3.24Å; D498-L501 CarbonylContact O-C 3.52Å; D498-L501 WeakPolarHBondContact O-CA 3.42Å; D498-L501 WeakPolarHBondContact O-CB 3.4Å; D498-L501 PolarHBondContact O-N 2.82Å; L501-F503 VanDerWaalsContact C-N 3.29Å; L501-F503 PolarHBondContact O-N 2.93Å; L501-L504 CarbonylContact O-C 3.55Å; L501-L504 PolarHBondContact O-N 3Å; L501-L504 VanDerWaalsContact O-N 3.09Å; L501-V505 WeakPolarHBondContact O-CB 3.34Å; L501-V505 VanDerWaalsContact O-CG2 3.27Å; L501-V505 WeakPolarHBondContact O-CG2 3.44Å; L501-V505 PolarHBondContact O-N 2.95Å |
| 502 | D | 70.7 | Confident | 72.7 | Confident | 89 Ų | 89 | 114.7 Ų | 114.7 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -55.8 | -42.9 | 173.4 | -73.5 | -32.2 | 0 | 0 | 0 | 112.1 | D498 N506 | D498-D502 PolarHBondContact O-N 2.69Å; D502-N506 VanDerWaalsContact O-CB 3.3Å; D502-N506 WeakPolarHBondContact O-CB 3.39Å; D502-N506 PolarHBondContact O-N 2.99Å; D502-N506 PolarHBondContact O-ND2 3.13Å |
| 503 | F | 80.6 | Confident | 71.5 | Confident | 145 Ų | 145 | 110 Ų | 110 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 175.3 | -179.3 | -98.6 | 0 | 0 | 0 | 111.7 | R499 L501 N506 V507 | R499-F503 WeakPolarHBondContact O-CB 3.35Å; R499-F503 PolarHBondContact O-N 3.37Å; L501-F503 VanDerWaalsContact C-N 3.29Å; L501-F503 PolarHBondContact O-N 2.93Å; F503-N506 PolarHBondContact O-N 3.42Å; F503-V507 HydrophobicContact CD1-CG2 4.34Å; F503-V507 HydrophobicContact CE1-CG2 3.93Å; F503-V507 HydrophobicContact CE2-CG2 4.24Å; F503-V507 HydrophobicContact CZ-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CB 3.48Å; F503-V507 VanDerWaalsContact O-CG2 3.31Å; F503-V507 WeakPolarHBondContact O-CG2 3.31Å; F503-V507 PolarHBondContact O-N 3.4Å |
| 504 | L | 75.3 | Confident | 70.6 | Confident | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -40.6 | 178.7 | -156.4 | 82.4 | 0 | 0 | 0 | 111.8 | K500 L501 V507 Y508 | K500-L504 WeakPolarHBondContact O-CB 3.27Å; K500-L504 PolarHBondContact O-N 3.42Å; L501-L504 CarbonylContact O-C 3.55Å; L501-L504 PolarHBondContact O-N 3Å; L501-L504 VanDerWaalsContact O-N 3.09Å; L504-V507 PolarHBondContact O-N 3.18Å; L504-Y508 WeakPolarHBondContact O-CB 3.43Å; L504-Y508 PolarHBondContact O-N 3.24Å |
| 505 | V | 73 | Confident | 69.1 | Low | 73 Ų | 73 | 107.3 Ų | 107.3 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -47 | 175.9 | 168.5 | 0 | 0 | 0 | 0 | 110.3 | L501 V507 Y508 V509 | L501-V505 WeakPolarHBondContact O-CB 3.34Å; L501-V505 VanDerWaalsContact O-CG2 3.27Å; L501-V505 WeakPolarHBondContact O-CG2 3.44Å; L501-V505 PolarHBondContact O-N 2.95Å; V505-V507 PolarHBondContact O-N 3.08Å; V505-Y508 CarbonylContact O-C 3.55Å; V505-Y508 WeakPolarHBondContact O-CB 3.39Å; V505-Y508 PolarHBondContact O-N 2.57Å; V505-Y508 VanDerWaalsContact O-N 3.11Å; V505-V509 HydrophobicContact CG1-CG2 4.25Å; V505-V509 WeakPolarHBondContact O-CB 3.3Å; V505-V509 VanDerWaalsContact O-CG2 3.29Å; V505-V509 WeakPolarHBondContact O-CG2 3.38Å; V505-V509 PolarHBondContact O-N 3.43Å |
| 506 | N | 70.9 | Confident | 67.5 | Low | 76 Ų | 76 | 107.3 Ų | 107.3 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -41 | 176.1 | -81.4 | -58.9 | 0 | 0 | 0 | 112.4 | D502 F503 Y508 V509 Q510 | D502-N506 VanDerWaalsContact O-CB 3.3Å; D502-N506 WeakPolarHBondContact O-CB 3.39Å; D502-N506 PolarHBondContact O-N 2.99Å; D502-N506 PolarHBondContact O-ND2 3.13Å; F503-N506 PolarHBondContact O-N 3.42Å; N506-Y508 VanDerWaalsContact C-N 3.32Å; N506-Y508 PolarHBondContact O-N 3.37Å; N506-V509 PolarHBondContact O-N 3.07Å; N506-Q510 WeakPolarHBondContact O-CB 3.47Å; N506-Q510 WeakPolarHBondContact O-CG 3.4Å; N506-Q510 PolarHBondContact O-N 2.59Å |
| 507 | V | 78.8 | Confident | 66.5 | Low | 57 Ų | 57 | 108 Ų | 108 | 35% | 0.345 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 172.9 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | F503 L504 V505 R511 | F503-V507 HydrophobicContact CD1-CG2 4.34Å; F503-V507 HydrophobicContact CE1-CG2 3.93Å; F503-V507 HydrophobicContact CE2-CG2 4.24Å; F503-V507 HydrophobicContact CZ-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CB 3.48Å; F503-V507 VanDerWaalsContact O-CG2 3.31Å; F503-V507 WeakPolarHBondContact O-CG2 3.31Å; F503-V507 PolarHBondContact O-N 3.4Å; L504-V507 PolarHBondContact O-N 3.18Å; V505-V507 PolarHBondContact O-N 3.08Å; V507-R511 VanDerWaalsContact O-CB 3.25Å; V507-R511 WeakPolarHBondContact O-CB 3.47Å; V507-R511 PolarHBondContact O-N 2.88Å |
| 508 | Y | 66.1 | Low | 64.8 | Low | 150 Ų | 150 | 106.6 Ų | 106.6 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -42.2 | 177 | -157.6 | -90.4 | 0 | 0 | 0 | 112.2 | L504 V505 N506 R511 M512 | L504-Y508 WeakPolarHBondContact O-CB 3.43Å; L504-Y508 PolarHBondContact O-N 3.24Å; V505-Y508 CarbonylContact O-C 3.55Å; V505-Y508 WeakPolarHBondContact O-CB 3.39Å; V505-Y508 PolarHBondContact O-N 2.57Å; V505-Y508 VanDerWaalsContact O-N 3.11Å; N506-Y508 VanDerWaalsContact C-N 3.32Å; N506-Y508 PolarHBondContact O-N 3.37Å; Y508-R511 PolarHBondContact O-N 2.9Å; Y508-M512 HydrophobicContact CD1-CG 3.94Å; Y508-M512 HydrophobicContact CE1-CE 3.64Å; Y508-M512 HydrophobicContact CE1-CG 3.8Å; Y508-M512 WeakPolarHBondContact O-CB 3.5Å; Y508-M512 WeakPolarHBondContact O-CG 3.16Å; Y508-M512 PolarHBondContact O-N 3.27Å; Y508-M512 WeakPolarHBondContact OH-CE 3.28Å |
| 509 | V | 66.6 | Low | 63.7 | Low | 26 Ų | 26 | 105.1 Ų | 105.1 | 16% | 0.158 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 175.2 | 164.9 | 0 | 0 | 0 | 0 | 110.9 | V505 N506 R511 M512 G513 I514 | V505-V509 HydrophobicContact CG1-CG2 4.25Å; V505-V509 WeakPolarHBondContact O-CB 3.3Å; V505-V509 VanDerWaalsContact O-CG2 3.29Å; V505-V509 WeakPolarHBondContact O-CG2 3.38Å; V505-V509 PolarHBondContact O-N 3.43Å; N506-V509 PolarHBondContact O-N 3.07Å; V509-R511 VanDerWaalsContact C-N 3.29Å; V509-R511 PolarHBondContact O-N 2.9Å; V509-M512 PolarHBondContact O-N 3.29Å; V509-G513 PolarHBondContact O-N 3.42Å; V509-I514 HydrophobicContact CG1-CB 4.28Å; V509-I514 WeakPolarHBondContact CG1-O 3.07Å; V509-I514 PolarHBondContact O-N 2.95Å |
| 510 | Q | 62.5 | Low | 61.8 | Low | 162 Ų | 162 | 103.6 Ų | 103.6 | 76% | 0.757 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -37.2 | 173.8 | -78.1 | -173.8 | -28.2 | 0 | 0 | 112.5 | N506 | N506-Q510 WeakPolarHBondContact O-CB 3.47Å; N506-Q510 WeakPolarHBondContact O-CG 3.4Å; N506-Q510 PolarHBondContact O-N 2.59Å |
| 511 | R | 56.1 | Low | 60.3 | Low | 224 Ų | 224 | 100.4 Ų | 100.4 | 85% | 0.845 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.6 | -20.7 | -178.8 | -155.9 | 175.6 | -162.3 | 176.1 | 5.4 | 113.8 | V507 Y508 V509 | V507-R511 VanDerWaalsContact O-CB 3.25Å; V507-R511 WeakPolarHBondContact O-CB 3.47Å; V507-R511 PolarHBondContact O-N 2.88Å; Y508-R511 PolarHBondContact O-N 2.9Å; V509-R511 VanDerWaalsContact C-N 3.29Å; V509-R511 PolarHBondContact O-N 2.9Å |
| 512 | M | 55.5 | Low | 58.5 | Low | 113 Ų | 113 | 103.6 Ų | 103.6 | 56% | 0.557 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -93.2 | -11.5 | 172.4 | -74.1 | -68.7 | -168 | 0 | 0 | 113.5 | Y508 V509 I514 | Y508-M512 HydrophobicContact CD1-CG 3.94Å; Y508-M512 HydrophobicContact CE1-CE 3.64Å; Y508-M512 HydrophobicContact CE1-CG 3.8Å; Y508-M512 WeakPolarHBondContact O-CB 3.5Å; Y508-M512 WeakPolarHBondContact O-CG 3.16Å; Y508-M512 PolarHBondContact O-N 3.27Å; Y508-M512 WeakPolarHBondContact OH-CE 3.28Å; V509-M512 PolarHBondContact O-N 3.29Å; M512-I514 HydrophobicContact CB-CD1 3.83Å; M512-I514 HydrophobicContact CB-CG1 3.93Å |
| 513 | G | 52 | Low | 57.1 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 65% | 0.649 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 22.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V509 | V509-G513 PolarHBondContact O-N 3.42Š|
| 514 | I | 54.4 | Low | 55.2 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 42% | 0.415 | 56% | 0.556 | S | S | . | * | trans | -79.7 | 139.4 | -177.3 | -61.4 | 169.3 | 0 | 0 | 0 | 109.8 | V509 M512 E518 | V509-I514 HydrophobicContact CG1-CB 4.28Å; V509-I514 WeakPolarHBondContact CG1-O 3.07Å; V509-I514 PolarHBondContact O-N 2.95Å; M512-I514 HydrophobicContact CB-CD1 3.83Å; M512-I514 HydrophobicContact CB-CG1 3.93Å; I514-E518 HydrophobicContact CG2-CB 4.33Å | ||
| 515 | T | 47.5 | Very low | 53.1 | Low | 79 Ų | 79 | 107 Ų | 107 | 49% | 0.485 | 56% | 0.56 | S | S | . | * | trans | -85.7 | 140.9 | -175.2 | 50.3 | 0 | 0 | 0 | 0 | 113 | S517 E518 | T515-S517 PolarHBondContact O-N 2.84Å; T515-E518 PolarHBondContact N-OE2 2.75Å; T515-E518 PolarHBondContact O-N 2.83Å; T515-E518 PolarHBondContact OG1-OE2 3.48Å | ||
| 516 | H | 43.1 | Very low | 51.1 | Low | 132 Ų | 132 | 113.4 Ų | 113.4 | 61% | 0.611 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.7 | -19.4 | -169.8 | -152.6 | -68.9 | 0 | 0 | 0 | 114.7 | E518 | H516-E518 VanDerWaalsContact C-N 3.34Å |
| 517 | S | 52.3 | Low | 49.3 | Very low | 82 Ų | 82 | 118.6 Ų | 118.6 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.1 | -21.4 | 174.7 | 42.4 | 0 | 0 | 0 | 0 | 114.6 | T515 | T515-S517 PolarHBondContact O-N 2.84Å |
| 518 | E | 45.5 | Very low | 47.3 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 38% | 0.379 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -82.3 | -25.6 | -174.9 | -63.5 | 172.6 | 99.8 | 0 | 0 | 112 | I514 T515 H516 | I514-E518 HydrophobicContact CG2-CB 4.33Å; T515-E518 PolarHBondContact N-OE2 2.75Å; T515-E518 PolarHBondContact O-N 2.83Å; T515-E518 PolarHBondContact OG1-OE2 3.48Å; H516-E518 VanDerWaalsContact C-N 3.34Å |
| 519 | T | 47.4 | Very low | 45.9 | Very low | 57 Ų | 57 | 125 Ų | 125 | 35% | 0.35 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.4 | -37.9 | 179.9 | -33.2 | 0 | 0 | 0 | 0 | 112.6 | A521 F522 | T519-A521 VanDerWaalsContact C-N 3.3Å; T519-A521 PolarHBondContact O-N 2.89Å; T519-F522 PolarHBondContact O-N 3.19Å |
| 520 | E | 42.4 | Very low | 44.5 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -67.6 | -30.5 | -176.6 | -62.3 | -174 | 158.6 | 0 | 0 | 112.6 | F522 | E520-F522 VanDerWaalsContact C-N 3.28Å; E520-F522 PolarHBondContact O-N 3.09Å |
| 521 | A | 49.2 | Very low | 43.4 | Very low | 76 Ų | 76 | 126 Ų | 126 | 63% | 0.628 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.4 | -21.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T519 | T519-A521 VanDerWaalsContact C-N 3.3Å; T519-A521 PolarHBondContact O-N 2.89Å |
| 522 | F | 38.5 | Very low | 42.7 | Very low | 156 Ų | 156 | 121 Ų | 121 | 68% | 0.684 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.2 | -25.8 | -174.9 | -106.3 | -88.3 | 0 | 0 | 0 | 114.2 | T519 E520 | T519-F522 PolarHBondContact O-N 3.19Å; E520-F522 VanDerWaalsContact C-N 3.28Å; E520-F522 PolarHBondContact O-N 3.09Å |
| 523 | F | 40.4 | Very low | 41.8 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 77% | 0.772 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -102.6 | -17.8 | -171.6 | -73.3 | -82.8 | 0 | 0 | 0 | 115 | ||
| 524 | N | 42.3 | Very low | 40.8 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | trans | -107.5 | 94.9 | -179.6 | -96.4 | -41.4 | 0 | 0 | 0 | 112.4 | ||||
| 525 | S | 31.2 | Very low | 39.7 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | trans | -145.6 | 58.3 | 177.2 | 61.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 526 | K | 31.1 | Very low | 39 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | trans | -171.4 | 120.6 | 139.5 | -109.5 | 153.1 | -172.9 | 164.6 | 0 | 114.6 | ||||
| 527 | E | 32.9 | Very low | 38.5 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -105 | 121.4 | 162.7 | -168.5 | 160.5 | -127.4 | 0 | 0 | 108.8 | ||||
| 528 | P | 36.9 | Very low | 37.3 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 138.5 | 177.6 | -17.1 | 32 | 0 | 0 | 0 | 112.1 | ||
| 529 | Y | 35.4 | Very low | 36.6 | Very low | 224 Ų | 224 | 144.2 Ų | 144.2 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.6 | 173.3 | -100.7 | -110.9 | 0 | 0 | 0 | 111.9 | ||
| 530 | P | 38.8 | Very low | 35.7 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 141.2 | 174 | 28.9 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 531 | A | 37.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 532 | P | 43 | Very low | 34.1 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 154.2 | 175 | 28.7 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 533 | P | 35.8 | Very low | 33.8 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.6 | -173.1 | -23.3 | 34.4 | 0 | 0 | 0 | 113.9 | ||
| 534 | Y | 31 | Very low | 33.1 | Very low | 220 Ų | 220 | 154.2 Ų | 154.2 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | trans | -111.8 | 119.5 | 173.9 | -168.6 | -87.7 | 0 | 0 | 0 | 108.8 | ||||
| 535 | H | 32 | Very low | 32.4 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 129 | 173.8 | -86.3 | -84.4 | 0 | 0 | 0 | 110.5 | ||
| 536 | S | 31.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 158.2 Ų | 158.2 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 145.1 | 161.9 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 537 | P | 32.8 | Very low | 32.3 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143.5 | 162.4 | -4.6 | 22.4 | 0 | 0 | 0 | 109.7 | ||
| 538 | E | 28.3 | Very low | 32 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -109.3 | 142.4 | 165.9 | -67.7 | -179.7 | 137.5 | 0 | 0 | 108.9 | ||||
| 539 | E | 29.1 | Very low | 31.6 | Very low | 197 Ų | 197 | 152.9 Ų | 152.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -86.1 | 129.3 | 174.5 | -64.2 | -170.5 | 150.3 | 0 | 0 | 110.1 | ||||
| 540 | T | 28.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -114.1 | 116.9 | 169.8 | 39.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 541 | K | 30 | Very low | 30.5 | Very low | 202 Ų | 202 | 153.4 Ų | 153.4 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -102.7 | 138.9 | 159.9 | -78.9 | -174.9 | 174.6 | -176.4 | 0 | 108.7 | ||||
| 542 | E | 28.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 155.6 Ų | 155.6 | 50% | 0.495 | 80% | 0.801 | S | S | . | * | trans | -126.2 | 137.9 | 157.6 | -72.5 | -165.2 | 93.8 | 0 | 0 | 108.8 | S579 T580 | E542-S579 VanDerWaalsContact CD-CA 3.5Å; E542-S579 WeakPolarHBondContact OE1-CA 3.44Å; E542-S579 PolarHBondContact OE1-N 2.97Å; E542-S579 WeakPolarHBondContact OE2-CA 3.2Å; E542-T580 WeakPolarHBondContact OE2-CG2 3.45Å; E542-T580 PolarHBondContact OE2-N 3.44Å | ||
| 543 | E | 31.3 | Very low | 29.4 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -101.1 | 149.1 | 168.2 | -71.5 | 177.5 | 155 | 0 | 0 | 109.5 | ||||
| 544 | K | 26.5 | Very low | 29 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -152.1 | 99.1 | 161.4 | -163.3 | -173.6 | 179.9 | -163.9 | 0 | 110.7 | ||||
| 545 | D | 28.4 | Very low | 28.7 | Very low | 148 Ų | 148 | 157.8 Ų | 157.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -86 | 155.7 | 165 | -81.9 | -35.4 | 0 | 0 | 0 | 111.5 | ||||
| 546 | E | 32.2 | Very low | 28.4 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 157.5 | 137.4 | 154.2 | -94.1 | 170.7 | -160.2 | 0 | 0 | 108.2 | ||||
| 547 | D | 27 | Very low | 28.2 | Very low | 149 Ų | 149 | 159 Ų | 159 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -164.3 | -177.5 | -31.3 | -149.8 | -31.4 | 0 | 0 | 0 | 107.8 | ||||
| 548 | E | 27.2 | Very low | 27.7 | Very low | 179 Ų | 179 | 159.7 Ų | 159.7 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 66.2 | 158.4 | 164.6 | -70.1 | -150.8 | 109.2 | 0 | 0 | 120.1 | ||||
| 549 | A | 27.7 | Very low | 27.9 | Very low | 71 Ų | 71 | 156.6 Ų | 156.6 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | cis | -173.5 | 144.8 | -35.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 550 | T | 27.1 | Very low | 28.1 | Very low | 151 Ų | 151 | 153.2 Ų | 153.2 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -170.3 | 140.9 | 141.2 | 6.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 551 | K | 25.1 | Very low | 28.4 | Very low | 203 Ų | 203 | 152 Ų | 152 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | -156 | 109.2 | -171 | -178.3 | 178.2 | 179.2 | 177.4 | 0 | 112.5 | ||||
| 552 | V | 28.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 151.1 Ų | 151.1 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -149.3 | 135 | -175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 553 | E | 27.8 | Very low | 28.6 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 61% | 0.612 | 82% | 0.816 | S | S | * | * | cis | -160 | 159.1 | -23.2 | -103.7 | -126.9 | 116.6 | 0 | 0 | 111.8 | ||||
| 554 | K | 28.7 | Very low | 28.7 | Very low | 168 Ų | 168 | 149 Ų | 149 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | trans | 24.7 | 126 | 152.6 | -61.8 | 172.7 | -175.6 | 127.6 | 0 | 121.8 | ||||
| 555 | K | 24.9 | Very low | 28.6 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | -148.2 | 161.6 | 115 | -149.4 | 168.2 | -175.2 | 175.4 | 0 | 110.9 | |||||
| 556 | A | 25.1 | Very low | 28.3 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -141.1 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 557 | K | 26.8 | Very low | 27.8 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | 86.9 | 145.2 | 177.9 | -71.6 | -175.3 | 170.3 | 179.8 | 0 | 118.2 | ||||
| 558 | T | 22.9 | Very low | 27.5 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 85.9 | 153.2 | 166.6 | -44.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 559 | C | 31.7 | Very low | 27.4 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -54.7 | 157.7 | -165.4 | -46.7 | 0 | 0 | 0 | 0 | 116.1 | ||
| 560 | S | 34.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | 104.7 | 162.1 | 175.8 | -161.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 561 | A | 34.7 | Very low | 27 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 167.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 562 | M | 39.8 | Very low | 27.1 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -73.2 | 154.7 | -169.2 | -61.7 | 163.4 | 109.4 | 0 | 0 | 114.5 | ||||
| 563 | A | 23.7 | Very low | 26.9 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | -156.6 | 127.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 564 | D | 33.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -90.4 | 127.4 | 161.8 | -79.9 | -58.9 | 0 | 0 | 0 | 110.2 | ||||
| 565 | V | 24.3 | Very low | 26.7 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -150.4 | 108.2 | 159.6 | 178.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 566 | S | 20.8 | Very low | 26.7 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | 73.1 | 140.8 | 58.8 | -72.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 567 | R | 22.1 | Very low | 26.6 | Very low | 240 Ų | 240 | 145.6 Ų | 145.6 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | 68 | 149.6 | 178.8 | -63.2 | -177.5 | 170.6 | 110.4 | -0.5 | 114.6 | ||||
| 568 | S | 22.2 | Very low | 27.2 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -158.5 | 156.4 | -10.3 | 37.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 569 | D | 23.4 | Very low | 27.2 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | cis | -171.2 | 172.5 | 46 | -146.1 | 4.3 | 0 | 0 | 0 | 105.2 | ||||
| 570 | R | 23.7 | Very low | 26.9 | Very low | 206 Ų | 206 | 137.3 Ų | 137.3 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | cis | -169.9 | 172 | 19.7 | -156.2 | 170.3 | -168 | -150.8 | 2.3 | 109.6 | ||||
| 571 | S | 23.6 | Very low | 26.4 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 71.8 | 147.2 | 164 | 70.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 572 | L | 26.2 | Very low | 25.9 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -156.8 | 146.3 | 3.5 | -122.5 | 159.7 | 0 | 0 | 0 | 110.5 | ||||
| 573 | E | 24 | Very low | 25.3 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 62.5 | 156.9 | 158.5 | -80 | 173.3 | -163.2 | 0 | 0 | 120.4 | ||||
| 574 | N | 26.1 | Very low | 25.5 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 60% | 0.599 | 75% | 0.751 | S | S | * | * | cis | -156.5 | 153.9 | -4.6 | -129.2 | -37.5 | 0 | 0 | 0 | 114.1 | ||||
| 575 | N | 27.4 | Very low | 25.3 | Very low | 141 Ų | 141 | 144 Ų | 144 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 57.4 | 132.6 | 151.4 | -75.1 | -32.1 | 0 | 0 | 0 | 127.6 | ||||
| 576 | S | 25 | Very low | 25.4 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | trans | 103.9 | 156.3 | 134.5 | 77.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 577 | R | 22.3 | Very low | 25.5 | Very low | 242 Ų | 242 | 147.9 Ų | 147.9 | 91% | 0.913 | 75% | 0.746 | S | S | * | * | trans | -172.8 | 172.9 | -172.9 | -102.6 | -175.8 | 175.8 | -175.4 | -1 | 107.6 | ||||
| 578 | P | 38.5 | Very low | 25.5 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | cis | -138.6 | -168.9 | -27.4 | 42.6 | -24.1 | 0 | 0 | 0 | 114.8 | ||||
| 579 | S | 23.5 | Very low | 25.8 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | trans | 80.3 | 111.7 | 145.2 | -61.6 | 0 | 0 | 0 | 0 | 124.9 | E542 | E542-S579 VanDerWaalsContact CD-CA 3.5Å; E542-S579 WeakPolarHBondContact OE1-CA 3.44Å; E542-S579 PolarHBondContact OE1-N 2.97Å; E542-S579 WeakPolarHBondContact OE2-CA 3.2Å | ||
| 580 | T | 24.9 | Very low | 25.8 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 63% | 0.632 | 75% | 0.75 | S | S | * | * | trans | 19.9 | 136.5 | 141.7 | 65.5 | 0 | 0 | 0 | 0 | 122.6 | E542 | E542-T580 WeakPolarHBondContact OE2-CG2 3.45Å; E542-T580 PolarHBondContact OE2-N 3.44Å | ||
| 581 | S | 24.3 | Very low | 26 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | 175.4 | 177.4 | 102.2 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 582 | W | 25.6 | Very low | 26.1 | Very low | 241 Ų | 241 | 144.8 Ų | 144.8 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | trans | -132.1 | -177.3 | -153.8 | -110.1 | 85.5 | 0 | 0 | 0 | 115.6 | ||||
| 583 | Q | 26.8 | Very low | 26.4 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 89.5 | 155.8 | 166.2 | -48.2 | -170.7 | 28.6 | 0 | 0 | 114.8 | ||||
| 584 | H | 27 | Very low | 26.4 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | cis | -154.2 | 169.9 | 7.3 | -157.8 | -113.9 | 0 | 0 | 0 | 109.7 | ||||
| 585 | Q | 30.1 | Very low | 26.3 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | -169.2 | 152.9 | -62.5 | 169.8 | 166.5 | -137.8 | 0 | 0 | 107.3 | |||||
| 586 | L | 26.5 | Very low | 26.1 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | 146.7 | 130.9 | 150 | -79.8 | 163.7 | 0 | 0 | 0 | 110.1 | ||||
| 587 | Q | 22.3 | Very low | 25.9 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | cis | -137.2 | 140.1 | 14.3 | -62.5 | 175.6 | -61.2 | 0 | 0 | 112 | ||||
| 588 | H | 22.7 | Very low | 26 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | 35.9 | 155.4 | 150 | -57 | -64.8 | 0 | 0 | 0 | 123 | ||||
| 589 | P | 27.5 | Very low | 25.4 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | cis | -125.2 | 167.8 | 6.8 | 41.3 | -27.8 | 0 | 0 | 0 | 115.4 | ||||
| 590 | L | 23.5 | Very low | 25.5 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | trans | -145 | 146.3 | 158.7 | -111.4 | 175.3 | 0 | 0 | 0 | 109.5 | ||||
| 591 | S | 28 | Very low | 25.7 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -108.7 | 142 | 174 | 53.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 592 | Q | 25.3 | Very low | 25.9 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -61.8 | 162.2 | 166.6 | -65.6 | 173 | -38.9 | 0 | 0 | 111.2 | ||||
| 593 | P | 32 | Very low | 26.6 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | -134 | 127.2 | 124.3 | 35.4 | -26.1 | 0 | 0 | 0 | 112.8 | |||||
| 594 | A | 24.1 | Very low | 26.7 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | 167.8 | 105 | 144.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 595 | W | 24.2 | Very low | 27.5 | Very low | 245 Ų | 245 | 132.4 Ų | 132.4 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | trans | -95.7 | 121.9 | 161.4 | -99.3 | 65.2 | 0 | 0 | 0 | 108.7 | ||||
| 596 | G | 23 | Very low | 27.4 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -111.2 | 118.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 597 | S | 22.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | 58.2 | 134.6 | 158.8 | 63.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 598 | S | 23.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 83.6 | 121.4 | 138.7 | -66.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 599 | M | 26.1 | Very low | 28.1 | Very low | 176 Ų | 176 | 125.4 Ų | 125.4 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 78.4 | 101.3 | 130.6 | -65.3 | -65.9 | 175.3 | 0 | 0 | 121.8 | ||||
| 600 | A | 25.6 | Very low | 28.1 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 65% | 0.645 | 78% | 0.775 | S | S | * | * | 100.2 | 144.4 | 112.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 601 | N | 28.5 | Very low | 28.2 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | 76.8 | 89.1 | 155.7 | -59 | -11.1 | 0 | 0 | 0 | 121.2 | ||||
| 602 | T | 29.1 | Very low | 28.3 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | 16.8 | 160.4 | 111.3 | 51.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 603 | P | 39 | Very low | 28.5 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | cis | -136.2 | -175.2 | 19.6 | 36.9 | -14.9 | 0 | 0 | 0 | 118.3 | ||||
| 604 | S | 29.2 | Very low | 28.7 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -76.3 | -178.9 | -175.9 | -34.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 605 | P | 44.6 | Very low | 29 | Very low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | -117.3 | 149 | 81.4 | -2.1 | 24 | 0 | 0 | 0 | 113.1 | |||||
| 606 | V | 28.8 | Very low | 29.2 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | 73 | 123 | 53.8 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 607 | L | 28.4 | Very low | 29.5 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | cis | -141.4 | -177.6 | 1.8 | -149 | 66 | 0 | 0 | 0 | 106.7 | ||||
| 608 | A | 29.5 | Very low | 29.7 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | cis | -155 | 143.5 | 7.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 609 | A | 27.3 | Very low | 30 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | 79.8 | 112.3 | 84.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 610 | G | 26.8 | Very low | 30.6 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 157.9 | 109.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 611 | D | 27.3 | Very low | 31.1 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -71.1 | 137.3 | -166.9 | -60.5 | -55.7 | 0 | 0 | 0 | 116.2 | ||||
| 612 | Q | 29.7 | Very low | 31.6 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | 176.4 | 155.9 | 107.7 | -93.2 | 172.8 | 60.4 | 0 | 0 | 112.4 | |||||
| 613 | S | 29 | Very low | 32 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -108.8 | 136.4 | -163.4 | 57.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 614 | P | 36.9 | Very low | 31.5 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 122.7 | 166 | 34.5 | -28.1 | 0 | 0 | 0 | 112.4 | ||
| 615 | T | 30.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 133.6 | 175.2 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 616 | V | 28.6 | Very low | 30.7 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 132.4 | 174.8 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 617 | F | 28.9 | Very low | 30.8 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -139.4 | 143.5 | 162.7 | -101.4 | -82.3 | 0 | 0 | 0 | 112.4 | ||||
| 618 | R | 26.8 | Very low | 30.8 | Very low | 234 Ų | 234 | 137.1 Ų | 137.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -92.6 | 158.5 | 174.4 | -84.2 | 179.4 | 161.4 | 129.8 | -8.6 | 111 | ||||
| 619 | L | 30.7 | Very low | 30.7 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -115.2 | 164.2 | 156.6 | -100.4 | 86 | 0 | 0 | 0 | 111.4 | ||||
| 620 | P | 37.5 | Very low | 30.8 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 171.2 | -158.3 | 38.3 | -37.4 | 0 | 0 | 0 | 115.7 | ||
| 621 | P | 37.3 | Very low | 30.8 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 161 | 177 | 33.7 | -37.3 | 0 | 0 | 0 | 114.3 | ||
| 622 | P | 37.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 155.5 | 178.6 | 33.7 | -35.8 | 0 | 0 | 0 | 114.1 | ||
| 623 | P | 38.5 | Very low | 30.7 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -91 | 179.5 | -178 | 38 | -37.4 | 0 | 0 | 0 | 114.1 | ||||
| 624 | A | 28.4 | Very low | 30.7 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 149.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 625 | S | 30.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 40.5 | 125.7 | 148.9 | 63.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 626 | T | 27 | Very low | 30 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -132.9 | 138.5 | 149.6 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 627 | H | 30.6 | Very low | 30 | Very low | 185 Ų | 185 | 134.5 Ų | 134.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -77.8 | 158 | 170.7 | -80.1 | -105.2 | 0 | 0 | 0 | 111.6 | ||||
| 628 | D | 27.6 | Very low | 30 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | -161.2 | -173.8 | 121.3 | -132.9 | -42.4 | 0 | 0 | 0 | 114.5 | |||||
| 629 | R | 27.7 | Very low | 30.2 | Very low | 220 Ų | 220 | 126.4 Ų | 126.4 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 141.2 | -157.4 | -75.8 | 158.5 | 155.1 | 172.5 | -7 | 118.7 | ||||
| 630 | S | 28.5 | Very low | 30.1 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 45.1 | 127 | 122 | -48 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 631 | S | 28.6 | Very low | 29.7 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 91 | 147.1 | 123.4 | 72.3 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 632 | S | 28.1 | Very low | 29.3 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | 63.7 | 152 | -179.2 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 633 | G | 25.9 | Very low | 29.1 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | cis | 135.8 | 148.1 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 634 | A | 28.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -162.7 | 177.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 635 | C | 25.5 | Very low | 28.8 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | 66.7 | 153.8 | 170.1 | -64 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 636 | G | 28.1 | Very low | 28.8 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | 160.2 | 156.5 | -12 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 637 | S | 27.9 | Very low | 28.9 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | 66 | 147.3 | 178.8 | -157.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 638 | G | 28.8 | Very low | 29 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | cis | 173.9 | 176.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 639 | R | 31 | Very low | 29.1 | Very low | 196 Ų | 196 | 132.2 Ų | 132.2 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -154.2 | 160.8 | 8.1 | -73.3 | 171.3 | 76.9 | 147 | 4.4 | 109.7 | ||||
| 640 | E | 28.2 | Very low | 29.2 | Very low | 140 Ų | 140 | 131.6 Ų | 131.6 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | trans | 50.6 | 148.2 | 138.9 | -68.6 | 151.6 | -171.8 | 0 | 0 | 123.2 | ||||
| 641 | S | 30 | Very low | 29.2 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -177.2 | 140.2 | -27.8 | 51 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 642 | S | 28.8 | Very low | 29.1 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 67.8 | 159.3 | 147.5 | 84.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 643 | S | 32.3 | Very low | 28.9 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | -148.9 | 173.2 | -6.1 | 54.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 644 | Q | 30.4 | Very low | 28.9 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | cis | -149.7 | 167 | 23.5 | -52.4 | 171.9 | 7.4 | 0 | 0 | 108.9 | ||||
| 645 | G | 29.7 | Very low | 28.7 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 164.4 | 140.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 646 | R | 30.7 | Very low | 28.7 | Very low | 217 Ų | 217 | 151.5 Ų | 151.5 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | trans | 74.5 | 145.1 | 166.9 | -55.6 | 179 | 177.7 | -170.6 | 0.7 | 116.9 | ||||
| 647 | R | 29.8 | Very low | 28.6 | Very low | 194 Ų | 194 | 154.8 Ų | 154.8 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | cis | -156.6 | 132.2 | -10.1 | -107.2 | 166.3 | -177 | -173.2 | -1.6 | 107.7 | ||||
| 648 | R | 32.6 | Very low | 28.5 | Very low | 209 Ų | 209 | 152.6 Ų | 152.6 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | 57.3 | 139.5 | 96.3 | -68 | -171.4 | 177.9 | -171 | -0.7 | 114.8 | |||||
| 649 | H | 30.3 | Very low | 28.4 | Very low | 128 Ų | 128 | 156.2 Ų | 156.2 | 59% | 0.593 | 76% | 0.755 | S | S | * | * | cis | -168.4 | -173.7 | 11.7 | -109.9 | -18.4 | 0 | 0 | 0 | 108 | ||||
| 650 | R | 28.7 | Very low | 28.2 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | cis | -173.1 | 170.3 | -1.2 | -111.3 | 169.7 | -171.5 | -159.6 | 1.1 | 106.2 | ||||
| 651 | R | 28.3 | Very low | 28.2 | Very low | 225 Ų | 225 | 151.1 Ų | 151.1 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | cis | -165.9 | 164.9 | -21.3 | -154 | -166.9 | -178.1 | -171 | 1 | 109.1 | ||||
| 652 | H | 26.8 | Very low | 28 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -55.7 | 157.2 | 167.2 | -59.8 | -103.1 | 0 | 0 | 0 | 116.4 | ||||
| 653 | R | 24.3 | Very low | 28 | Very low | 244 Ų | 244 | 153.4 Ų | 153.4 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | -166.3 | -169.9 | 102.1 | -137.6 | 174.3 | 179.7 | -171.5 | -2.6 | 114.1 | |||||
| 654 | C | 25.8 | Very low | 27.7 | Very low | 92 Ų | 92 | 155.8 Ų | 155.8 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | trans | -120.2 | 171.2 | -152.1 | -37.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 655 | Q | 25.6 | Very low | 27.8 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 61.5 | 128.9 | 151.8 | -68.8 | 165.6 | -64 | 0 | 0 | 118.5 | ||||
| 656 | H | 25.1 | Very low | 27.7 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -163.9 | 166.8 | 68.6 | -109.1 | -84.3 | 0 | 0 | 0 | 114.8 | |||||
| 657 | D | 25 | Very low | 27.8 | Very low | 138 Ų | 138 | 153.5 Ų | 153.5 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -25.2 | 156.3 | 165.5 | -38.8 | -47.5 | 0 | 0 | 0 | 118.6 | ||||
| 658 | A | 26.7 | Very low | 27.7 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | -176.8 | 172.5 | 68.5 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 659 | T | 26.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | 63.9 | 123.4 | 159 | 46.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 660 | A | 25.9 | Very low | 27.7 | Very low | 93 Ų | 93 | 146.9 Ų | 146.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -74 | -162.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 661 | V | 28.5 | Very low | 27.8 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 85.3 | 141.6 | 172.6 | -176.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 662 | E | 25.7 | Very low | 28 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -171.5 | 152.5 | -30.6 | -174.3 | 159.9 | -144.7 | 0 | 0 | 108 | ||||
| 663 | S | 28.9 | Very low | 28.1 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 64.4 | 155.6 | 160 | 58.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 664 | D | 27.1 | Very low | 28.6 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 73.4 | 118.8 | 151.1 | -64 | -1.3 | 0 | 0 | 0 | 125.1 | ||||
| 665 | T | 31.3 | Very low | 29.2 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -3.8 | 133.9 | 153.7 | 51 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 666 | S | 28.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | -176 | 172 | 106.5 | 46.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 667 | L | 32.2 | Very low | 30 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | trans | -69.8 | 133.9 | -179.1 | -70.5 | 150.6 | 0 | 0 | 0 | 112.7 | ||||
| 668 | S | 28.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -151.7 | 151 | 152.3 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 669 | I | 31 | Very low | 30.5 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 131.2 | -176.1 | -63.3 | 164.4 | 0 | 0 | 0 | 108.1 | S671 | I669-S671 PolarHBondContact O-N 3.17Š|
| 670 | P | 31.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 121 | 167.6 | -15.1 | 29.7 | 0 | 0 | 0 | 109.9 | ||
| 671 | S | 30.4 | Very low | 30.7 | Very low | 102 Ų | 102 | 154.1 Ų | 154.1 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.1 | 170.4 | 46.7 | 0 | 0 | 0 | 0 | 110.7 | I669 | I669-S671 PolarHBondContact O-N 3.17Š|
| 672 | V | 32.1 | Very low | 30.8 | Very low | 131 Ų | 131 | 153.2 Ų | 153.2 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 125.5 | 166.5 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 673 | D | 28.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 134.4 | -179 | -65.3 | -59.3 | 0 | 0 | 0 | 112.2 | E675 | D673-E675 PolarHBondContact O-N 3.45Š|
| 674 | H | 35.7 | Very low | 31 | Very low | 196 Ų | 196 | 154 Ų | 154 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -89 | 84.1 | -178.3 | -89.7 | -91.6 | 0 | 0 | 0 | 111.6 | ||
| 675 | E | 37.8 | Very low | 30.9 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -146 | 5.1 | 171 | -132.3 | 172 | -159.4 | 0 | 0 | 118.1 | D673 | D673-E675 PolarHBondContact O-N 3.45Š| ||
| 676 | E | 35.2 | Very low | 30.7 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -118.3 | 10.1 | -177.9 | -109 | -167.5 | 166.7 | 0 | 0 | 117.3 | ||
| 677 | L | 32 | Very low | 30.8 | Very low | 175 Ų | 175 | 154 Ų | 154 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -100.6 | 9.9 | 179.4 | -141.2 | 79.4 | 0 | 0 | 0 | 116.1 | R679 | L677-R679 PolarHBondContact O-N 2.87Š| ||
| 678 | E | 30.9 | Very low | 30.5 | Very low | 175 Ų | 175 | 154.9 Ų | 154.9 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -96.9 | 77.7 | 172.6 | -72.3 | -143.2 | 159.8 | 0 | 0 | 113.3 | ||||
| 679 | R | 32.3 | Very low | 30.4 | Very low | 228 Ų | 228 | 153.9 Ų | 153.9 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -165.4 | 87.9 | 147.6 | -107.8 | 157.2 | -159.1 | 81.3 | -9.5 | 112.2 | L677 | L677-R679 PolarHBondContact O-N 2.87Š| ||
| 680 | S | 28.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 154.5 Ų | 154.5 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -149.2 | 116.8 | 159.8 | -82.8 | 0 | 0 | 0 | 0 | 109.8 | S682 | S680-S682 PolarHBondContact O-N 3.03Å; S680-S682 VanDerWaalsContact O-N 3.14Å | ||
| 681 | F | 28.1 | Very low | 29.9 | Very low | 227 Ų | 227 | 158.3 Ų | 158.3 | 100% | 0.996 | 84% | 0.839 | S | S | * | * | trans | -77.5 | 94.1 | 178.3 | -104.1 | -97.5 | 0 | 0 | 0 | 110.3 | ||||
| 682 | S | 30.3 | Very low | 29.6 | Very low | 115 Ų | 115 | 159.7 Ų | 159.7 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -101.9 | 85.8 | 170.8 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | S680 F684 | S680-S682 PolarHBondContact O-N 3.03Å; S680-S682 VanDerWaalsContact O-N 3.14Å; S682-F684 PolarHBondContact O-N 2.96Å | ||
| 683 | G | 31.5 | Very low | 29.3 | Very low | 67 Ų | 67 | 161.9 Ų | 161.9 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | trans | -86.1 | 102 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 684 | F | 27.2 | Very low | 29.1 | Very low | 208 Ų | 208 | 164.4 Ų | 164.4 | 91% | 0.912 | 84% | 0.842 | S | S | * | * | trans | -176.5 | 105.9 | 141.3 | -107 | -66.9 | 0 | 0 | 0 | 111.3 | S682 | S682-F684 PolarHBondContact O-N 2.96Š| ||
| 685 | S | 26.3 | Very low | 28.6 | Very low | 118 Ų | 118 | 157.9 Ų | 157.9 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -93.7 | 130.6 | 174.4 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 686 | I | 27.1 | Very low | 28.6 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -129.4 | 128.2 | 159.1 | -80.6 | -178.8 | 0 | 0 | 0 | 108.1 | ||||
| 687 | S | 28.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -75.4 | 143.2 | -169.4 | -46.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 688 | Q | 25.6 | Very low | 27.9 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -70.7 | 141 | 160.5 | -70.4 | -178.9 | -12.9 | 0 | 0 | 110.2 | ||||
| 689 | A | 26.8 | Very low | 27.7 | Very low | 95 Ų | 95 | 153.6 Ų | 153.6 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | -139.8 | 78.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 690 | K | 26.2 | Very low | 27.4 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | 40.3 | 96.4 | 146.8 | -170 | 165.9 | 174.7 | 171 | 0 | 117.3 | D692 | K690-D692 WeakPolarHBondContact CE-OD2 3.34Å; K690-D692 IonicContact NZ-OD2 2.65Å; K690-D692 PolarHBondContact NZ-OD2 3.46Å | ||
| 691 | E | 26.7 | Very low | 27.3 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | -76.3 | 134.8 | 156.9 | -63 | -175.6 | 161.2 | 0 | 0 | 109.4 | ||||
| 692 | D | 24 | Very low | 27.3 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -139.5 | 155.4 | 171 | -108.9 | -35 | 0 | 0 | 0 | 110.1 | K690 | K690-D692 WeakPolarHBondContact CE-OD2 3.34Å; K690-D692 IonicContact NZ-OD2 2.65Å; K690-D692 PolarHBondContact NZ-OD2 3.46Å | ||
| 693 | F | 25.4 | Very low | 27 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 146.8 | -162.3 | -134.2 | -119.7 | 0 | 0 | 0 | 114.7 | ||||
| 694 | F | 25.3 | Very low | 26.9 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 87% | 0.868 | 82% | 0.824 | S | S | * | * | -177.7 | 159.4 | 106.5 | -105.7 | -74.4 | 0 | 0 | 0 | 114.2 | |||||
| 695 | G | 24.6 | Very low | 26.9 | Very low | 58 Ų | 58 | 134.1 Ų | 134.1 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | trans | -91.8 | -173.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 696 | P | 38 | Very low | 27 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -92 | 154.6 | -163.6 | 35.7 | -36.5 | 0 | 0 | 0 | 115.2 | ||||
| 697 | S | 26.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -138.4 | 151.4 | 162.5 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 698 | F | 25.9 | Very low | 27.1 | Very low | 196 Ų | 196 | 127.1 Ų | 127.1 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -112.5 | 170.6 | 179.3 | -112.8 | -103.3 | 0 | 0 | 0 | 109.9 | ||||
| 699 | F | 26.3 | Very low | 27.3 | Very low | 196 Ų | 196 | 123 Ų | 123 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 81.5 | 140 | 167.8 | -79.9 | -82.3 | 0 | 0 | 0 | 120.7 | ||||
| 700 | A | 27.2 | Very low | 27.5 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | 63.1 | 151.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 701 | G | 25.5 | Very low | 27.7 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | cis | 152.2 | 108.1 | -15.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 702 | S | 27.8 | Very low | 27.8 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 92% | 0.923 | 83% | 0.833 | S | S | * | * | trans | 66 | 139.3 | 158.9 | -158.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 703 | G | 25.9 | Very low | 27.9 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | 118.6 | 89.9 | 130.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 704 | G | 28.5 | Very low | 28 | Very low | 89 Ų | 89 | 116.3 Ų | 116.3 | 92% | 0.918 | 84% | 0.837 | S | S | * | * | trans | 73.6 | 160.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 705 | G | 27.8 | Very low | 28 | Very low | 80 Ų | 80 | 110.6 Ų | 110.6 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | cis | 167.7 | 122.1 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 706 | G | 28.6 | Very low | 28.1 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 94% | 0.938 | 85% | 0.846 | S | S | * | * | trans | 75.9 | 153.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 707 | G | 29 | Very low | 27.5 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | cis | 164.3 | 152 | -6.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 708 | G | 28.2 | Very low | 27.5 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | cis | 177.5 | 174.9 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 709 | A | 30.4 | Very low | 27.6 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | 65.5 | 146.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 710 | A | 29.3 | Very low | 27.6 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | cis | -157.7 | 150.4 | -9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 711 | A | 30.3 | Very low | 27.6 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | trans | 172.9 | 144.2 | 144.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 712 | E | 28.9 | Very low | 27.6 | Very low | 196 Ų | 196 | 118.7 Ų | 118.7 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -104.9 | 161.9 | -179.2 | -84.5 | -162.2 | 144.7 | 0 | 0 | 111.8 | ||||
| 713 | A | 26.7 | Very low | 27.6 | Very low | 79 Ų | 79 | 118.9 Ų | 118.9 | 65% | 0.653 | 84% | 0.84 | S | S | * | * | cis | -164.9 | -167.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 714 | V | 27.5 | Very low | 27.6 | Very low | 151 Ų | 151 | 125.4 Ų | 125.4 | 92% | 0.915 | 84% | 0.842 | S | S | * | * | trans | 87.9 | 109.1 | 167.2 | -170 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 715 | G | 25.7 | Very low | 27.6 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | 110.5 | 25.3 | 128.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 716 | G | 26.2 | Very low | 27.7 | Very low | 83 Ų | 83 | 133 Ų | 133 | 86% | 0.856 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 122 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 717 | R | 26.3 | Very low | 27.7 | Very low | 247 Ų | 247 | 135.7 Ų | 135.7 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 142.7 | 172.6 | -100.5 | -178.7 | 171.8 | 166.4 | -1.8 | 112.2 | ||
| 718 | S | 25.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 133.6 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 113 | C720 | S718-C720 PolarHBondContact O-N 3.05Š|
| 719 | I | 27.4 | Very low | 27.8 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | trans | -82.4 | 100.1 | 173.4 | -62.3 | 177.8 | 0 | 0 | 0 | 108.8 | ||||
| 720 | C | 27.4 | Very low | 27.8 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -85.7 | 122 | 171 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | S718 R722 | S718-C720 PolarHBondContact O-N 3.05Å; C720-R722 PolarHBondContact O-N 3.46Å | ||
| 721 | A | 26.2 | Very low | 27.8 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -70.8 | 84.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V723 | A721-V723 PolarHBondContact O-N 3.32Å; A721-V723 VanDerWaalsContact O-N 3.1Å | ||
| 722 | R | 25.5 | Very low | 27.8 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -75.7 | 96.1 | -175.7 | -174.5 | 177.3 | 179.5 | 174.7 | 0.5 | 112.2 | C720 R724 | C720-R722 PolarHBondContact O-N 3.46Å; R722-R724 PolarHBondContact O-N 2.96Å | ||
| 723 | V | 27.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 123.8 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | A721 | A721-V723 PolarHBondContact O-N 3.32Å; A721-V723 VanDerWaalsContact O-N 3.1Å |
| 724 | R | 25.8 | Very low | 28.1 | Very low | 210 Ų | 210 | 144.1 Ų | 144.1 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 138.8 | 170.1 | -78.6 | -178.2 | 170.6 | 169.5 | -3 | 110.1 | R722 | R722-R724 PolarHBondContact O-N 2.96Š|
| 725 | P | 29 | Very low | 28.3 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 129 | 172.3 | 30.9 | -32.6 | 0 | 0 | 0 | 110.4 | I727 | P725-I727 PolarHBondContact O-N 2.94Š|
| 726 | F | 29.6 | Very low | 28.6 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 107.6 | 168.3 | -80.7 | -90.4 | 0 | 0 | 0 | 109.8 | ||||
| 727 | I | 28.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 149.1 Ų | 149.1 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -85.1 | 122.5 | 154.4 | -65.1 | 175.2 | 0 | 0 | 0 | 105.7 | P725 | P725-I727 PolarHBondContact O-N 2.94Š| ||
| 728 | A | 30.6 | Very low | 29 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -82.2 | 114.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 729 | E | 29.4 | Very low | 29.1 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -66.6 | 134 | 162.7 | -64.7 | -175.1 | 142.4 | 0 | 0 | 108 | E731 | E729-E731 PolarHBondContact O-N 3.32Š| ||
| 730 | G | 30.3 | Very low | 29.2 | Very low | 69 Ų | 69 | 147.9 Ų | 147.9 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -88.6 | 104.6 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | S732 | G730-S732 PolarHBondContact O-N 3.42Š| ||
| 731 | E | 27.6 | Very low | 29.4 | Very low | 201 Ų | 201 | 148.6 Ų | 148.6 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -59 | 109.4 | 157.7 | -72.6 | -176.8 | 118.9 | 0 | 0 | 108.2 | E729 | E729-E731 PolarHBondContact O-N 3.32Š| ||
| 732 | S | 31.3 | Very low | 29.4 | Very low | 85 Ų | 85 | 149.5 Ų | 149.5 | 59% | 0.594 | 81% | 0.814 | S | S | * | * | trans | -95.2 | 118.7 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | G730 T734 | G730-S732 PolarHBondContact O-N 3.42Å; S732-T734 PolarHBondContact O-N 3.06Å | ||
| 733 | D | 26.9 | Very low | 29.6 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -57.1 | 97.7 | 168.4 | -69.5 | -50.3 | 0 | 0 | 0 | 110.4 | ||||
| 734 | T | 35.4 | Very low | 29.7 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | trans | -102.7 | 67.6 | 177.5 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | S732 S736 | S732-T734 PolarHBondContact O-N 3.06Å; T734-S736 PolarHBondContact O-N 2.91Å | ||
| 735 | D | 31.1 | Very low | 29.7 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -77.1 | 83.4 | 172.9 | -152.8 | 14.3 | 0 | 0 | 0 | 109.9 | ||||
| 736 | S | 31.5 | Very low | 29.6 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | -168.5 | 152.5 | 162.1 | -74.4 | 0 | 0 | 0 | 0 | 113.6 | T734 | T734-S736 PolarHBondContact O-N 2.91Š| ||
| 737 | D | 28.3 | Very low | 29.6 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | trans | 72.1 | 66.5 | 155.8 | -55.1 | -19.2 | 0 | 0 | 0 | 119.3 | Y739 | D737-Y739 PolarHBondContact O-N 3.07Š| ||
| 738 | L | 33.4 | Very low | 29.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -73.1 | 103.3 | 153.8 | -86.3 | 170.5 | 0 | 0 | 0 | 110.6 | ||||
| 739 | Y | 28.8 | Very low | 29.3 | Very low | 239 Ų | 239 | 141.6 Ų | 141.6 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -157.7 | 83.1 | 163.5 | -124.2 | -76.1 | 0 | 0 | 0 | 113.4 | D737 | D737-Y739 PolarHBondContact O-N 3.07Š| ||
| 740 | A | 29.2 | Very low | 29.2 | Very low | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -155.1 | 145.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 741 | P | 31.3 | Very low | 29 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 145.6 | -173.2 | 32 | -35.3 | 0 | 0 | 0 | 113.2 | ||
| 742 | S | 25.8 | Very low | 29 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 136 | 170.2 | -50.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 743 | P | 30.8 | Very low | 28.8 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 135.7 | 167 | 31.4 | -32.5 | 0 | 0 | 0 | 110.2 | ||
| 744 | L | 28.9 | Very low | 28.9 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 133.1 | 172.1 | -80 | 165.5 | 0 | 0 | 0 | 110.6 | ||
| 745 | S | 26.5 | Very low | 28.6 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 118.2 | 163 | 54 | 0 | 0 | 0 | 0 | 109.7 | ||
| 746 | F | 25.2 | Very low | 28.6 | Very low | 198 Ų | 198 | 135 Ų | 135 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -129.5 | 135.7 | 168.7 | -159.8 | -91.6 | 0 | 0 | 0 | 109.9 | ||||
| 747 | T | 30.1 | Very low | 28.6 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -101.5 | 127.4 | -178.9 | 48.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 748 | G | 26.7 | Very low | 29.4 | Very low | 63 Ų | 63 | 140.6 Ų | 140.6 | 65% | 0.649 | 82% | 0.823 | S | S | * | * | trans | 164.4 | 95.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 749 | D | 27.1 | Very low | 29.3 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 56.3 | 162.9 | 145 | -62.2 | -36.4 | 0 | 0 | 0 | 124 | ||||
| 750 | A | 26.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 131.6 Ų | 131.6 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 79.5 | 92.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 751 | S | 27.5 | Very low | 29.9 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | 63.8 | 116.6 | 125.9 | 65.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 752 | C | 26.4 | Very low | 29.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | 61.7 | 122.1 | 125.1 | -154.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 753 | G | 27.3 | Very low | 30 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | 170.4 | 113.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 754 | E | 29.1 | Very low | 30 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 70% | 0.696 | 83% | 0.827 | S | S | * | * | trans | -84.7 | 165.7 | 174.3 | -67.2 | -178 | 82.1 | 0 | 0 | 113.2 | ||||
| 755 | R | 30.3 | Very low | 30 | Very low | 216 Ų | 216 | 142 Ų | 142 | 82% | 0.815 | 82% | 0.823 | S | S | * | * | trans | 78.6 | 137.8 | 140.8 | -116.9 | 170.7 | -81.6 | -164.5 | -5 | 118.7 | ||||
| 756 | G | 29.5 | Very low | 30.2 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | 138.3 | 79.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 757 | W | 32.7 | Very low | 30.6 | Very low | 247 Ų | 247 | 139.7 Ų | 139.7 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -78.2 | 144.8 | 152.7 | -79 | 64.6 | 0 | 0 | 0 | 108.5 | ||||
| 758 | P | 44.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | -136.9 | -179.6 | 75.9 | 22.5 | 0.7 | 0 | 0 | 0 | 113.1 | |||||
| 759 | G | 32 | Very low | 30.9 | Very low | 52 Ų | 52 | 146.2 Ų | 146.2 | 54% | 0.536 | 83% | 0.833 | S | S | . | * | cis | 135.5 | 97.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 760 | L | 35.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | trans | 50.8 | 113.6 | 170.5 | -66.4 | 91 | 0 | 0 | 0 | 119.2 | ||||
| 761 | K | 33.6 | Very low | 31.7 | Very low | 283 Ų | 283 | 149.5 Ų | 149.5 | 100% | 1.23 | 84% | 0.835 | S | S | * | * | -163.5 | 0 | 100.3 | -105.9 | 170.7 | -178.3 | 174.4 | 0 | 112.5 |
Retrieved 761 of 761 residues in 146.3 ms
(Link to these results)