| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 87.1 | Confident | 90 | Very high | 81 Ų | 81 | 69.7 Ų | 69.7 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | 0 | -73 | 0 | -75.6 | -72.9 | 74.9 | 0 | 0 | 114.5 | I3 V4 L36 Y39 | M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 2.9Å; M1-I3 VanDerWaalsContact O-N 3.07Å; M1-V4 HydrophobicContact CE-CG2 4.25Å; M1-V4 WeakPolarHBondContact O-CB 3.28Å; M1-V4 WeakPolarHBondContact O-CG2 3.42Å; M1-V4 PolarHBondContact O-N 3.42Å; M1-L36 HydrophobicContact CE-CD2 3.63Å; M1-L36 HydrophobicContact SD-CD2 4.16Å; M1-Y39 HydrophobicContact CE-CD2 3.27Å; M1-Y39 HydrophobicContact CE-CE2 4.14Å; M1-Y39 HydrophobicContact CE-CG 3.53Å | |||
| 2 | L | 90.1 | Very high | 89.8 | Confident | 123 Ų | 123 | 74.8 Ų | 74.8 | 64% | 0.644 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -47.5 | -42.6 | -168.7 | -172.8 | 152 | 0 | 0 | 0 | 115.5 | V4 F5 I6 | L2-V4 PolarHBondContact O-N 3.43Å; L2-F5 PolarHBondContact O-N 3.17Å; L2-F5 VanDerWaalsContact O-N 3.09Å; L2-I6 HydrophobicContact CD2-CD1 3.48Å; L2-I6 VanDerWaalsContact CD2-CD1 3.48Å; L2-I6 HydrophobicContact CD2-CG1 4.05Å; L2-I6 PolarHBondContact O-N 2.92Å |
| 3 | I | 89.9 | Confident | 89.6 | Confident | 131 Ų | 131 | 79.7 Ų | 79.7 | 67% | 0.672 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.9 | -31.4 | 176.8 | -62.1 | 171.8 | 0 | 0 | 0 | 112.9 | M1 S7 | M1-I3 VanDerWaalsContact C-N 3.31Å; M1-I3 PolarHBondContact O-N 2.9Å; M1-I3 VanDerWaalsContact O-N 3.07Å; I3-S7 WeakPolarHBondContact O-CB 3.47Å; I3-S7 PolarHBondContact O-N 3.42Å; I3-S7 PolarHBondContact O-OG 3.43Å |
| 4 | V | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 2% | 0.024 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.8 | -37.5 | 178.3 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | M1 L2 S7 M8 L32 A35 L36 Y39 L232 | M1-V4 HydrophobicContact CE-CG2 4.25Å; M1-V4 WeakPolarHBondContact O-CB 3.28Å; M1-V4 WeakPolarHBondContact O-CG2 3.42Å; M1-V4 PolarHBondContact O-N 3.42Å; L2-V4 PolarHBondContact O-N 3.43Å; V4-S7 WeakPolarHBondContact O-CB 3.42Å; V4-S7 PolarHBondContact O-N 3.13Å; V4-M8 PolarHBondContact O-N 3.09Å; V4-L32 HydrophobicContact CG1-CB 4.49Å; V4-L32 HydrophobicContact CG1-CD2 3.74Å; V4-A35 HydrophobicContact CG1-CB 4.24Å; V4-L36 HydrophobicContact CB-CD2 3.8Å; V4-L36 HydrophobicContact CG1-CD2 3.62Å; V4-L36 HydrophobicContact CG1-CG 3.85Å; V4-Y39 HydrophobicContact CG2-CE2 4.11Å; V4-L232 HydrophobicContact CG1-CD1 4.4Å; V4-L232 HydrophobicContact CG2-CD1 3.91Å |
| 5 | F | 91.1 | Very high | 88.8 | Confident | 112 Ų | 112 | 81.6 Ų | 81.6 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 173 | -74.7 | -76.6 | 0 | 0 | 0 | 112 | L2 S7 M8 V9 L36 | L2-F5 PolarHBondContact O-N 3.17Å; L2-F5 VanDerWaalsContact O-N 3.09Å; F5-S7 VanDerWaalsContact C-N 3.27Å; F5-S7 PolarHBondContact O-N 3.08Å; F5-M8 WeakPolarHBondContact O-CB 3.32Å; F5-M8 PolarHBondContact O-N 3.25Å; F5-V9 WeakPolarHBondContact O-CG2 3.44Å; F5-V9 PolarHBondContact O-N 3.07Å; F5-L36 HydrophobicContact CD2-CD2 4.03Å; F5-L36 HydrophobicContact CE1-CD1 3.99Å; F5-L36 HydrophobicContact CE1-CD2 4.3Å; F5-L36 HydrophobicContact CE2-CD2 3.66Å; F5-L36 HydrophobicContact CZ-CD1 4.09Å; F5-L36 HydrophobicContact CZ-CD2 3.81Å |
| 6 | I | 91.4 | Very high | 88 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 45% | 0.451 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 170.3 | -69.1 | -176.8 | 0 | 0 | 0 | 110.2 | L2 M8 V9 L10 | L2-I6 HydrophobicContact CD2-CD1 3.48Å; L2-I6 VanDerWaalsContact CD2-CD1 3.48Å; L2-I6 HydrophobicContact CD2-CG1 4.05Å; L2-I6 PolarHBondContact O-N 2.92Å; I6-M8 VanDerWaalsContact C-N 3.35Å; I6-M8 PolarHBondContact O-N 3.23Å; I6-V9 PolarHBondContact O-N 3.16Å; I6-L10 HydrophobicContact CG2-CD1 3.68Å; I6-L10 HydrophobicContact CG2-CG 4.05Å; I6-L10 WeakPolarHBondContact O-CB 3.41Å; I6-L10 VanDerWaalsContact O-CG 3.3Å; I6-L10 WeakPolarHBondContact O-CG 3.32Å; I6-L10 PolarHBondContact O-N 3.11Å |
| 7 | S | 89.7 | Confident | 87.5 | Confident | 12 Ų | 12 | 87.7 Ų | 87.7 | 8% | 0.084 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 112.8 | I3 V4 F5 I11 | I3-S7 WeakPolarHBondContact O-CB 3.47Å; I3-S7 PolarHBondContact O-N 3.42Å; I3-S7 PolarHBondContact O-OG 3.43Å; V4-S7 WeakPolarHBondContact O-CB 3.42Å; V4-S7 PolarHBondContact O-N 3.13Å; F5-S7 VanDerWaalsContact C-N 3.27Å; F5-S7 PolarHBondContact O-N 3.08Å; S7-I11 WeakPolarHBondContact O-CB 3.23Å; S7-I11 WeakPolarHBondContact O-CD1 3.36Å; S7-I11 WeakPolarHBondContact O-CG1 3.16Å; S7-I11 PolarHBondContact O-N 2.91Å |
| 8 | M | 90.7 | Very high | 86.8 | Confident | 48 Ų | 48 | 88.7 Ų | 88.7 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 172.1 | -77.1 | -72.3 | -151.4 | 0 | 0 | 111.3 | V4 F5 I6 I11 Y12 L32 C33 L36 | V4-M8 PolarHBondContact O-N 3.09Å; F5-M8 WeakPolarHBondContact O-CB 3.32Å; F5-M8 PolarHBondContact O-N 3.25Å; I6-M8 VanDerWaalsContact C-N 3.35Å; I6-M8 PolarHBondContact O-N 3.23Å; M8-I11 PolarHBondContact O-N 3.39Å; M8-Y12 WeakPolarHBondContact O-CB 3.4Å; M8-Y12 PolarHBondContact O-N 3.06Å; M8-L32 HydrophobicContact CB-CD1 4.46Å; M8-L32 HydrophobicContact CE-CB 3.57Å; M8-L32 HydrophobicContact CG-CB 4.02Å; M8-L32 HydrophobicContact CG-CD1 3.94Å; M8-L32 HydrophobicContact SD-CB 3.48Å; M8-L32 WeakPolarHBondContact SD-CB 3.49Å; M8-L32 HydrophobicContact SD-CD1 3.7Å; M8-L32 HydrophobicContact SD-CG 4.25Å; M8-C33 HydrophobicContact CE-CB 4.08Å; M8-L36 HydrophobicContact CE-CD1 4.23Å |
| 9 | V | 90.7 | Very high | 85.9 | Confident | 102 Ų | 102 | 85.5 Ų | 85.5 | 62% | 0.618 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.2 | -43.9 | -178.6 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | F5 I6 I11 Y12 H13 | F5-V9 WeakPolarHBondContact O-CG2 3.44Å; F5-V9 PolarHBondContact O-N 3.07Å; I6-V9 PolarHBondContact O-N 3.16Å; V9-I11 PolarHBondContact O-N 3.4Å; V9-Y12 PolarHBondContact O-N 2.92Å; V9-H13 WeakPolarHBondContact O-CB 3.47Å; V9-H13 PolarHBondContact O-N 3.3Å |
| 10 | L | 88.8 | Confident | 85.4 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176 | -69.9 | 173.9 | 0 | 0 | 0 | 112.1 | I6 H13 F14 F240 | I6-L10 HydrophobicContact CG2-CD1 3.68Å; I6-L10 HydrophobicContact CG2-CG 4.05Å; I6-L10 WeakPolarHBondContact O-CB 3.41Å; I6-L10 VanDerWaalsContact O-CG 3.3Å; I6-L10 WeakPolarHBondContact O-CG 3.32Å; I6-L10 PolarHBondContact O-N 3.11Å; L10-H13 PolarHBondContact O-N 3.19Å; L10-F14 HydrophobicContact CD2-CE2 4.09Å; L10-F14 WeakPolarHBondContact O-CB 3.38Å; L10-F14 VanDerWaalsContact O-CD2 3.26Å; L10-F14 WeakPolarHBondContact O-CD2 3.44Å; L10-F14 PolarHBondContact O-N 3.31Å; L10-F240 HydrophobicContact CB-CE1 4.11Å; L10-F240 HydrophobicContact CB-CZ 3.9Å; L10-F240 HydrophobicContact CD1-CZ 4.48Å |
| 11 | I | 88.6 | Confident | 85 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 177.5 | -82 | 156.6 | 0 | 0 | 0 | 112 | S7 M8 V9 R15 L25 L28 E29 L32 L236 F240 | S7-I11 WeakPolarHBondContact O-CB 3.23Å; S7-I11 WeakPolarHBondContact O-CD1 3.36Å; S7-I11 WeakPolarHBondContact O-CG1 3.16Å; S7-I11 PolarHBondContact O-N 2.91Å; M8-I11 PolarHBondContact O-N 3.39Å; V9-I11 PolarHBondContact O-N 3.4Å; I11-R15 PolarHBondContact O-N 2.88Å; I11-R15 VanDerWaalsContact O-N 3.12Å; I11-L25 HydrophobicContact CG2-CD1 3.46Å; I11-L25 VanDerWaalsContact CG2-CD1 3.46Å; I11-L28 HydrophobicContact CD1-CD2 3.53Å; I11-L28 HydrophobicContact CD1-CG 3.71Å; I11-L28 HydrophobicContact CG1-CD2 3.91Å; I11-L28 HydrophobicContact CG2-CD2 4.31Å; I11-E29 HydrophobicContact CG2-CG 4.46Å; I11-L32 HydrophobicContact CD1-CD1 3.53Å; I11-L236 HydrophobicContact CD1-CD2 3.58Å; I11-F240 HydrophobicContact CD1-CZ 4.45Å; I11-F240 HydrophobicContact CG1-CZ 3.98Å |
| 12 | Y | 87.6 | Confident | 84 | Confident | 131 Ų | 131 | 86 Ų | 86 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 172.6 | -172.1 | -88.2 | 0 | 0 | 0 | 111.9 | M8 V9 R15 | M8-Y12 WeakPolarHBondContact O-CB 3.4Å; M8-Y12 PolarHBondContact O-N 3.06Å; V9-Y12 PolarHBondContact O-N 2.92Å; Y12-R15 VanDerWaalsContact CZ-NH1 3.31Å; Y12-R15 WeakPolarHBondContact O-CB 3.47Å; Y12-R15 WeakPolarHBondContact O-CD 3.3Å; Y12-R15 WeakPolarHBondContact O-CG 2.99Å; Y12-R15 PolarHBondContact OH-NH1 3.35Å; Y12-R15 VanDerWaalsContact OH-NH1 3.12Å |
| 13 | H | 87.1 | Confident | 83.1 | Confident | 138 Ų | 138 | 80.6 Ų | 80.6 | 64% | 0.639 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.3 | -54.1 | 177.8 | -168.2 | -99.8 | 0 | 0 | 0 | 111.4 | V9 L10 R15 | V9-H13 WeakPolarHBondContact O-CB 3.47Å; V9-H13 PolarHBondContact O-N 3.3Å; L10-H13 PolarHBondContact O-N 3.19Å; H13-R15 PolarHBondContact O-N 3.14Å; H13-R15 VanDerWaalsContact O-N 3.14Å |
| 14 | F | 83 | Confident | 82.6 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 34% | 0.342 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -80.6 | 15.2 | -179.6 | -65.6 | -65.1 | 0 | 0 | 0 | 114.3 | L10 R16 N17 I20 F240 | L10-F14 HydrophobicContact CD2-CE2 4.09Å; L10-F14 WeakPolarHBondContact O-CB 3.38Å; L10-F14 VanDerWaalsContact O-CD2 3.26Å; L10-F14 WeakPolarHBondContact O-CD2 3.44Å; L10-F14 PolarHBondContact O-N 3.31Å; F14-R16 PolarHBondContact O-N 2.62Å; F14-N17 WeakPolarHBondContact O-CB 3.23Å; F14-N17 PolarHBondContact O-N 3.41Å; F14-I20 HydrophobicContact CB-CD1 3.58Å; F14-F240 HydrophobicContact CD2-CE1 4.24Å |
| 15 | R | 84.3 | Confident | 82.3 | Confident | 110 Ų | 110 | 76.4 Ų | 76.4 | 42% | 0.415 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -55.3 | -20.5 | 179.5 | 69.3 | -175.8 | 171 | 171.8 | -3.6 | 115.1 | I11 Y12 H13 L25 | I11-R15 PolarHBondContact O-N 2.88Å; I11-R15 VanDerWaalsContact O-N 3.12Å; Y12-R15 VanDerWaalsContact CZ-NH1 3.31Å; Y12-R15 WeakPolarHBondContact O-CB 3.47Å; Y12-R15 WeakPolarHBondContact O-CD 3.3Å; Y12-R15 WeakPolarHBondContact O-CG 2.99Å; Y12-R15 PolarHBondContact OH-NH1 3.35Å; Y12-R15 VanDerWaalsContact OH-NH1 3.12Å; H13-R15 PolarHBondContact O-N 3.14Å; H13-R15 VanDerWaalsContact O-N 3.14Å; R15-L25 HydrophobicContact CB-CD1 4.03Å; R15-L25 HydrophobicContact CB-CD2 3.92Å |
| 16 | R | 76.8 | Confident | 82.1 | Confident | 211 Ų | 211 | 74.5 Ų | 74.5 | 80% | 0.796 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -79.4 | -20.7 | 177.2 | -73.1 | -179.2 | 170.7 | 167.4 | -3.9 | 113.4 | F14 | F14-R16 PolarHBondContact O-N 2.62Š|
| 17 | N | 79.3 | Confident | 82 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -66.7 | 140.2 | -173.2 | -66.7 | 15.5 | 0 | 0 | 0 | 112.3 | F14 S19 I20 R21 | F14-N17 WeakPolarHBondContact O-CB 3.23Å; F14-N17 PolarHBondContact O-N 3.41Å; N17-S19 VanDerWaalsContact C-N 3.28Å; N17-S19 PolarHBondContact O-N 2.88Å; N17-I20 PolarHBondContact O-N 3.36Å; N17-R21 WeakPolarHBondContact O-CB 3.39Å; N17-R21 PolarHBondContact O-N 2.98Å |
| 18 | K | 74.1 | Confident | 81.9 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 46% | 0.457 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -45.9 | -50.2 | 179.4 | -70.7 | -176.4 | -177.2 | 173.9 | 0 | 111.7 | R21 A22 D250 E254 | K18-R21 PolarHBondContact O-N 3.12Å; K18-A22 WeakPolarHBondContact O-CB 3.42Å; K18-A22 PolarHBondContact O-N 3.47Å; K18-D250 IonicContact NZ-OD2 3.73Å; K18-D250 PolarHBondContact NZ-OD2 3.46Å; K18-E254 IonicContact NZ-OE1 2.75Å; K18-E254 PolarHBondContact NZ-OE1 2.97Å; K18-E254 IonicContact NZ-OE2 3.67Å |
| 19 | S | 70.8 | Confident | 82 | Confident | 28 Ų | 28 | 70.5 Ų | 70.5 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -47 | -174.5 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | N17 A22 S23 | N17-S19 VanDerWaalsContact C-N 3.28Å; N17-S19 PolarHBondContact O-N 2.88Å; S19-A22 PolarHBondContact O-N 3.28Å; S19-S23 WeakPolarHBondContact O-CB 3.24Å; S19-S23 PolarHBondContact O-N 2.82Å |
| 20 | I | 75.1 | Confident | 82.1 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -41 | 177.5 | -69.1 | 169.5 | 0 | 0 | 0 | 110.3 | F14 N17 A22 S23 G24 L25 | F14-I20 HydrophobicContact CB-CD1 3.58Å; N17-I20 PolarHBondContact O-N 3.36Å; I20-A22 PolarHBondContact O-N 2.81Å; I20-S23 PolarHBondContact O-N 2.98Å; I20-G24 PolarHBondContact O-N 3.07Å; I20-G24 VanDerWaalsContact O-N 3.1Å; I20-L25 HydrophobicContact CG2-CD1 3.91Å |
| 21 | R | 76.4 | Confident | 82.3 | Confident | 185 Ų | 185 | 63.8 Ų | 63.8 | 70% | 0.698 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 177.2 | -161.5 | 173.1 | 77.1 | -171.9 | 5.4 | 112.2 | N17 K18 | N17-R21 WeakPolarHBondContact O-CB 3.39Å; N17-R21 PolarHBondContact O-N 2.98Å; K18-R21 PolarHBondContact O-N 3.12Å |
| 22 | A | 67.9 | Low | 82.6 | Confident | 75 Ų | 75 | 63.7 Ų | 63.7 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -68.5 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K18 S19 I20 G24 | K18-A22 WeakPolarHBondContact O-CB 3.42Å; K18-A22 PolarHBondContact O-N 3.47Å; S19-A22 PolarHBondContact O-N 3.28Å; I20-A22 PolarHBondContact O-N 2.81Å; A22-G24 PolarHBondContact O-N 2.94Å |
| 23 | S | 69.8 | Low | 83 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.3 | -22.7 | 178.9 | -167 | 0 | 0 | 0 | 0 | 113 | S19 I20 K75 E182 K239 | S19-S23 WeakPolarHBondContact O-CB 3.24Å; S19-S23 PolarHBondContact O-N 2.82Å; I20-S23 PolarHBondContact O-N 2.98Å; S23-K75 PolarHBondContact O-NZ 2.92Å; S23-K75 PolarHBondContact OG-NZ 3.34Å; S23-E182 PolarHBondContact OG-OE1 3.37Å; S23-K239 WeakPolarHBondContact OG-CE 3.14Å; S23-K239 PolarHBondContact OG-NZ 3.25Å |
| 24 | G | 80.5 | Confident | 83.4 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | trans | 96.2 | 88.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | I20 A22 V26 L27 L28 | I20-G24 PolarHBondContact O-N 3.07Å; I20-G24 VanDerWaalsContact O-N 3.1Å; A22-G24 PolarHBondContact O-N 2.94Å; G24-V26 PolarHBondContact O-N 3.48Å; G24-L27 WeakPolarHBondContact O-CB 3.47Å; G24-L27 PolarHBondContact O-N 3.33Å; G24-L28 PolarHBondContact O-N 3.11Å | ||
| 25 | L | 84.9 | Confident | 84 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -38.1 | -57.9 | -177.1 | -177 | 69.7 | 0 | 0 | 0 | 114 | I11 R15 I20 L27 L28 E29 | I11-L25 HydrophobicContact CG2-CD1 3.46Å; I11-L25 VanDerWaalsContact CG2-CD1 3.46Å; R15-L25 HydrophobicContact CB-CD1 4.03Å; R15-L25 HydrophobicContact CB-CD2 3.92Å; I20-L25 HydrophobicContact CG2-CD1 3.91Å; L25-L27 PolarHBondContact O-N 2.91Å; L25-L28 CarbonylContact O-C 3.58Å; L25-L28 WeakPolarHBondContact O-CA 3.49Å; L25-L28 WeakPolarHBondContact O-CB 3.22Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-E29 HydrophobicContact CD1-CG 4.43Å; L25-E29 HydrophobicContact CG-CG 4.37Å; L25-E29 PolarHBondContact O-N 3.44Å |
| 26 | V | 87.4 | Confident | 84.5 | Confident | 71 Ų | 71 | 46 Ų | 46 | 43% | 0.43 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -28.2 | -175.9 | -173.3 | 0 | 0 | 0 | 0 | 113.4 | G24 E29 A30 L100 | G24-V26 PolarHBondContact O-N 3.48Å; V26-E29 WeakPolarHBondContact CA-OE2 3.14Å; V26-A30 VanDerWaalsContact O-CB 3.31Å; V26-A30 WeakPolarHBondContact O-CB 3.07Å; V26-A30 PolarHBondContact O-N 3.43Å; V26-A30 VanDerWaalsContact O-N 3.11Å; V26-L100 HydrophobicContact CG1-CD1 4.35Å; V26-L100 HydrophobicContact CG1-CD2 3.93Å |
| 27 | L | 87.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.9 | -29.6 | 173.4 | -63.1 | 175.2 | 0 | 0 | 0 | 111.5 | G24 L25 I31 V99 | G24-L27 WeakPolarHBondContact O-CB 3.47Å; G24-L27 PolarHBondContact O-N 3.33Å; L25-L27 PolarHBondContact O-N 2.91Å; L27-I31 WeakPolarHBondContact O-CD1 3.35Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.4Å; L27-I31 PolarHBondContact O-N 3.4Å; L27-I31 VanDerWaalsContact O-N 3.07Å; L27-V99 HydrophobicContact CD1-CG1 4.38Å; L27-V99 HydrophobicContact CD2-CB 4.42Å; L27-V99 HydrophobicContact CD2-CG1 4.02Å |
| 28 | L | 89.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78.9 | -38.3 | 178.4 | -162.2 | 58.1 | 0 | 0 | 0 | 111.7 | I11 G24 L25 A30 I31 L32 L236 K239 | I11-L28 HydrophobicContact CD1-CD2 3.53Å; I11-L28 HydrophobicContact CD1-CG 3.71Å; I11-L28 HydrophobicContact CG1-CD2 3.91Å; I11-L28 HydrophobicContact CG2-CD2 4.31Å; G24-L28 PolarHBondContact O-N 3.11Å; L25-L28 CarbonylContact O-C 3.58Å; L25-L28 WeakPolarHBondContact O-CA 3.49Å; L25-L28 WeakPolarHBondContact O-CB 3.22Å; L25-L28 PolarHBondContact O-N 3.37Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-I31 HydrophobicContact CD1-CD1 4.38Å; L28-I31 PolarHBondContact O-N 2.81Å; L28-L32 PolarHBondContact O-N 2.95Å; L28-L236 HydrophobicContact CD1-CD2 3.98Å; L28-L236 HydrophobicContact CD2-CD2 4.32Å; L28-L236 HydrophobicContact CG-CD2 4.35Å; L28-K239 HydrophobicContact CD2-CD 4.23Å |
| 29 | E | 91.2 | Very high | 87.1 | Confident | 55 Ų | 55 | 31.8 Ų | 31.8 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 168.1 | -68.2 | 168.7 | 158.6 | 0 | 0 | 111 | I11 L25 V26 L32 C33 | I11-E29 HydrophobicContact CG2-CG 4.46Å; L25-E29 HydrophobicContact CD1-CG 4.43Å; L25-E29 HydrophobicContact CG-CG 4.37Å; L25-E29 PolarHBondContact O-N 3.44Å; V26-E29 WeakPolarHBondContact CA-OE2 3.14Å; E29-L32 PolarHBondContact O-N 3.39Å; E29-C33 WeakPolarHBondContact O-CB 3.33Å; E29-C33 PolarHBondContact O-N 2.91Å |
| 30 | A | 93.3 | Very high | 88.2 | Confident | 17 Ų | 17 | 35.4 Ų | 35.4 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V26 L28 C33 G34 T71 L103 | V26-A30 VanDerWaalsContact O-CB 3.31Å; V26-A30 WeakPolarHBondContact O-CB 3.07Å; V26-A30 PolarHBondContact O-N 3.43Å; V26-A30 VanDerWaalsContact O-N 3.11Å; L28-A30 VanDerWaalsContact C-N 3.34Å; A30-C33 PolarHBondContact O-N 2.99Å; A30-G34 PolarHBondContact O-N 2.71Å; A30-T71 HydrophobicContact CB-CG2 3.88Å; A30-L103 HydrophobicContact CB-CD2 4.3Å |
| 31 | I | 94.3 | Very high | 89 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 172.4 | -71.5 | 161.3 | 0 | 0 | 0 | 110.7 | L27 L28 G34 A35 T71 L72 L232 L235 | L27-I31 WeakPolarHBondContact O-CD1 3.35Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.4Å; L27-I31 PolarHBondContact O-N 3.4Å; L27-I31 VanDerWaalsContact O-N 3.07Å; L28-I31 HydrophobicContact CD1-CD1 4.38Å; L28-I31 PolarHBondContact O-N 2.81Å; I31-G34 PolarHBondContact O-N 3.49Å; I31-A35 WeakPolarHBondContact O-CB 3.32Å; I31-A35 PolarHBondContact O-N 3.26Å; I31-T71 WeakPolarHBondContact CG1-OG1 3.41Å; I31-L72 HydrophobicContact CD1-CD1 4.16Å; I31-L72 HydrophobicContact CG1-CD1 4.14Å; I31-L232 HydrophobicContact CG2-CD2 4.05Å; I31-L235 HydrophobicContact CD1-CD1 4.37Å; I31-L235 HydrophobicContact CG2-CD1 4.34Å |
| 32 | L | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -37.6 | 178.6 | -75.5 | 171.7 | 0 | 0 | 0 | 112.6 | V4 M8 I11 L28 E29 A35 L36 L232 L236 | V4-L32 HydrophobicContact CG1-CB 4.49Å; V4-L32 HydrophobicContact CG1-CD2 3.74Å; M8-L32 HydrophobicContact CB-CD1 4.46Å; M8-L32 HydrophobicContact CE-CB 3.57Å; M8-L32 HydrophobicContact CG-CB 4.02Å; M8-L32 HydrophobicContact CG-CD1 3.94Å; M8-L32 HydrophobicContact SD-CB 3.48Å; M8-L32 WeakPolarHBondContact SD-CB 3.49Å; M8-L32 HydrophobicContact SD-CD1 3.7Å; M8-L32 HydrophobicContact SD-CG 4.25Å; I11-L32 HydrophobicContact CD1-CD1 3.53Å; L28-L32 PolarHBondContact O-N 2.95Å; E29-L32 PolarHBondContact O-N 3.39Å; L32-A35 WeakPolarHBondContact O-CB 3.41Å; L32-A35 PolarHBondContact O-N 3.07Å; L32-L36 WeakPolarHBondContact O-CG 3.16Å; L32-L36 PolarHBondContact O-N 2.8Å; L32-L232 HydrophobicContact CD2-CD1 4.35Å; L32-L232 HydrophobicContact CD2-CD2 3.79Å; L32-L236 HydrophobicContact CD2-CD1 4.38Å |
| 33 | C | 94.3 | Very high | 90.8 | Very high | 62 Ų | 62 | 25.6 Ų | 25.6 | 42% | 0.419 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.9 | -43.9 | 174 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | M8 E29 A30 A35 L36 L37 | M8-C33 HydrophobicContact CE-CB 4.08Å; E29-C33 WeakPolarHBondContact O-CB 3.33Å; E29-C33 PolarHBondContact O-N 2.91Å; A30-C33 PolarHBondContact O-N 2.99Å; C33-A35 VanDerWaalsContact C-N 3.35Å; C33-A35 PolarHBondContact O-N 2.94Å; C33-L36 WeakPolarHBondContact O-CB 3.44Å; C33-L36 PolarHBondContact O-N 3.15Å; C33-L37 WeakPolarHBondContact O-CG 3.23Å; C33-L37 PolarHBondContact O-N 2.89Å |
| 34 | G | 96.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A30 I31 L37 L38 T67 | A30-G34 PolarHBondContact O-N 2.71Å; I31-G34 PolarHBondContact O-N 3.49Å; G34-L37 WeakPolarHBondContact O-CB 3.49Å; G34-L37 PolarHBondContact O-N 2.85Å; G34-L38 PolarHBondContact O-N 3.43Å; G34-T67 WeakPolarHBondContact CA-OG1 3.44Å |
| 35 | A | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V4 I31 L32 C33 L38 Y39 V228 L232 | V4-A35 HydrophobicContact CG1-CB 4.24Å; I31-A35 WeakPolarHBondContact O-CB 3.32Å; I31-A35 PolarHBondContact O-N 3.26Å; L32-A35 WeakPolarHBondContact O-CB 3.41Å; L32-A35 PolarHBondContact O-N 3.07Å; C33-A35 VanDerWaalsContact C-N 3.35Å; C33-A35 PolarHBondContact O-N 2.94Å; A35-L38 PolarHBondContact O-N 3.06Å; A35-Y39 VanDerWaalsContact O-CD2 3.22Å; A35-Y39 WeakPolarHBondContact O-CD2 3.26Å; A35-Y39 PolarHBondContact O-N 3.21Å; A35-V228 HydrophobicContact CB-CG1 3.68Å; A35-L232 HydrophobicContact CB-CD1 3.95Å; A35-L232 HydrophobicContact CB-CD2 4.1Å; A35-L232 HydrophobicContact CB-CG 4.28Å |
| 36 | L | 95 | Very high | 92.4 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 12% | 0.115 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -50.8 | 171.4 | -69.5 | 176.7 | 0 | 0 | 0 | 110.6 | M1 V4 F5 M8 L32 C33 L38 Y39 F40 | M1-L36 HydrophobicContact CE-CD2 3.63Å; M1-L36 HydrophobicContact SD-CD2 4.16Å; V4-L36 HydrophobicContact CB-CD2 3.8Å; V4-L36 HydrophobicContact CG1-CD2 3.62Å; V4-L36 HydrophobicContact CG1-CG 3.85Å; F5-L36 HydrophobicContact CD2-CD2 4.03Å; F5-L36 HydrophobicContact CE1-CD1 3.99Å; F5-L36 HydrophobicContact CE1-CD2 4.3Å; F5-L36 HydrophobicContact CE2-CD2 3.66Å; F5-L36 HydrophobicContact CZ-CD1 4.09Å; F5-L36 HydrophobicContact CZ-CD2 3.81Å; M8-L36 HydrophobicContact CE-CD1 4.23Å; L32-L36 WeakPolarHBondContact O-CG 3.16Å; L32-L36 PolarHBondContact O-N 2.8Å; C33-L36 WeakPolarHBondContact O-CB 3.44Å; C33-L36 PolarHBondContact O-N 3.15Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.32Å; L36-Y39 PolarHBondContact O-N 2.89Å; L36-F40 HydrophobicContact CB-CE2 4.46Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 PolarHBondContact O-N 3.42Å |
| 37 | L | 95.3 | Very high | 92.4 | Very high | 48 Ų | 48 | 36.8 Ų | 36.8 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -55.1 | -39.6 | 175.9 | -68.8 | 173.5 | 0 | 0 | 0 | 112.9 | C33 G34 Y39 F40 P41 V60 L63 G64 | C33-L37 WeakPolarHBondContact O-CG 3.23Å; C33-L37 PolarHBondContact O-N 2.89Å; G34-L37 WeakPolarHBondContact O-CB 3.49Å; G34-L37 PolarHBondContact O-N 2.85Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.41Å; L37-F40 PolarHBondContact O-N 3.34Å; L37-P41 WeakPolarHBondContact O-CD 3.46Å; L37-V60 HydrophobicContact CB-CG1 4.45Å; L37-V60 HydrophobicContact CD2-CG1 4.16Å; L37-V60 VanDerWaalsContact O-CG1 3.26Å; L37-V60 WeakPolarHBondContact O-CG1 3.36Å; L37-L63 HydrophobicContact CD1-CB 4.47Å; L37-G64 VanDerWaalsContact CB-CA 3.48Å |
| 38 | L | 95.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.1 | -20.3 | -179.2 | -77.8 | 176.8 | 0 | 0 | 0 | 115.6 | G34 A35 L36 F65 V68 Y69 T224 V228 | G34-L38 PolarHBondContact O-N 3.43Å; A35-L38 PolarHBondContact O-N 3.06Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.32Å; L38-F65 HydrophobicContact CD2-CB 4.19Å; L38-V68 HydrophobicContact CD1-CB 4.26Å; L38-V68 HydrophobicContact CD1-CG2 3.87Å; L38-Y69 HydrophobicContact CD1-CE2 4.22Å; L38-T224 WeakPolarHBondContact O-CG2 3.29Å; L38-V228 HydrophobicContact CB-CG2 3.8Å; L38-V228 HydrophobicContact CD1-CG2 3.73Å; L38-V228 HydrophobicContact CG-CG2 4.41Å |
| 39 | Y | 94.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -90.3 | -26.5 | 175.1 | -75.2 | -84.8 | 0 | 0 | 0 | 113.7 | M1 V4 A35 L36 L37 P41 V42 H225 V228 T229 | M1-Y39 HydrophobicContact CE-CD2 3.27Å; M1-Y39 HydrophobicContact CE-CE2 4.14Å; M1-Y39 HydrophobicContact CE-CG 3.53Å; V4-Y39 HydrophobicContact CG2-CE2 4.11Å; A35-Y39 VanDerWaalsContact O-CD2 3.22Å; A35-Y39 WeakPolarHBondContact O-CD2 3.26Å; A35-Y39 PolarHBondContact O-N 3.21Å; L36-Y39 PolarHBondContact O-N 2.89Å; L37-Y39 VanDerWaalsContact C-N 3.33Å; L37-Y39 PolarHBondContact O-N 3.41Å; Y39-P41 VanDerWaalsContact C-N 3.28Å; Y39-V42 WeakPolarHBondContact O-CB 3.45Å; Y39-V42 PolarHBondContact O-N 3.05Å; Y39-H225 AromaticContact CE1-CD2 3.68Å; Y39-H225 AromaticContact CE1-NE2 3.57Å; Y39-V228 HydrophobicContact CD2-CG1 4.31Å; Y39-V228 HydrophobicContact CE2-CB 3.93Å; Y39-V228 HydrophobicContact CE2-CG1 3.53Å; Y39-T229 VanDerWaalsContact OH-CG2 3.23Å; Y39-T229 WeakPolarHBondContact OH-CG2 3.48Å |
| 40 | F | 92.9 | Very high | 91.6 | Very high | 105 Ų | 105 | 43.5 Ų | 43.5 | 46% | 0.461 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -53.6 | -34.3 | 178.7 | -82.5 | -72.8 | 0 | 0 | 0 | 114.4 | L36 L37 V42 G43 I44 V60 | L36-F40 HydrophobicContact CB-CE2 4.46Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F40 PolarHBondContact O-N 3.42Å; L37-F40 PolarHBondContact O-N 3.34Å; F40-V42 VanDerWaalsContact C-N 3.25Å; F40-V42 PolarHBondContact O-N 3.21Å; F40-G43 CarbonylContact O-C 3.57Å; F40-G43 WeakPolarHBondContact O-CA 3.16Å; F40-G43 PolarHBondContact O-N 2.67Å; F40-I44 WeakPolarHBondContact O-CG1 3.22Å; F40-I44 PolarHBondContact O-N 3.08Å; F40-V60 HydrophobicContact CB-CG1 3.68Å |
| 41 | P | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.6 | -36.1 | 173.4 | -31.2 | 37.7 | 0 | 0 | 0 | 114.5 | L37 Y39 G43 I44 I45 L57 V60 R61 | L37-P41 WeakPolarHBondContact O-CD 3.46Å; Y39-P41 VanDerWaalsContact C-N 3.28Å; P41-G43 VanDerWaalsContact C-N 3.33Å; P41-I44 PolarHBondContact O-N 3.26Å; P41-I45 WeakPolarHBondContact O-CG2 3.39Å; P41-I45 PolarHBondContact O-N 3.1Å; P41-L57 HydrophobicContact CB-CD1 3.72Å; P41-L57 WeakPolarHBondContact O-CD1 3.24Å; P41-V60 HydrophobicContact CG-CG1 4.37Å; P41-R61 HydrophobicContact CB-CB 4.38Å; P41-R61 HydrophobicContact CG-CB 3.7Å |
| 42 | V | 92.3 | Very high | 91 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 13% | 0.127 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 176 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | Y39 F40 Y46 L217 F221 T224 | Y39-V42 WeakPolarHBondContact O-CB 3.45Å; Y39-V42 PolarHBondContact O-N 3.05Å; F40-V42 VanDerWaalsContact C-N 3.25Å; F40-V42 PolarHBondContact O-N 3.21Å; V42-Y46 PolarHBondContact O-N 2.68Å; V42-L217 HydrophobicContact CG1-CD1 4.3Å; V42-F221 HydrophobicContact CG1-CB 4.32Å; V42-F221 HydrophobicContact CG1-CD2 4.21Å; V42-T224 HydrophobicContact CG2-CG2 4.02Å; V42-T224 VanDerWaalsContact CG2-OG1 3.3Å; V42-T224 WeakPolarHBondContact CG2-OG1 3.16Å |
| 43 | G | 90.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F40 P41 F47 | F40-G43 CarbonylContact O-C 3.57Å; F40-G43 WeakPolarHBondContact O-CA 3.16Å; F40-G43 PolarHBondContact O-N 2.67Å; P41-G43 VanDerWaalsContact C-N 3.33Å; G43-F47 WeakPolarHBondContact O-CD2 3.43Å; G43-F47 WeakPolarHBondContact O-CE2 3.32Å |
| 44 | I | 91.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.1 | -43.1 | -179.9 | -67.7 | 162.2 | 0 | 0 | 0 | 111.2 | F40 P41 Y46 F47 R53 L56 L57 V60 | F40-I44 WeakPolarHBondContact O-CG1 3.22Å; F40-I44 PolarHBondContact O-N 3.08Å; P41-I44 PolarHBondContact O-N 3.26Å; I44-Y46 VanDerWaalsContact C-N 3.31Å; I44-Y46 PolarHBondContact O-N 3.42Å; I44-F47 PolarHBondContact O-N 3.29Å; I44-R53 HydrophobicContact CG2-CB 4.05Å; I44-R53 HydrophobicContact CG2-CG 4.38Å; I44-L56 HydrophobicContact CD1-CD2 3.97Å; I44-L56 HydrophobicContact CD1-CG 3.89Å; I44-L56 HydrophobicContact CG1-CD2 4.37Å; I44-L57 HydrophobicContact CB-CD1 4.06Å; I44-L57 HydrophobicContact CG2-CB 4.12Å; I44-L57 HydrophobicContact CG2-CD1 4Å; I44-V60 HydrophobicContact CD1-CB 4.43Å; I44-V60 HydrophobicContact CD1-CG2 4.43Å |
| 45 | I | 88.1 | Confident | 90.3 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.3 | -18 | -177.8 | -160.5 | 172.7 | 0 | 0 | 0 | 113.5 | P41 F47 L57 L217 F220 | P41-I45 WeakPolarHBondContact O-CG2 3.39Å; P41-I45 PolarHBondContact O-N 3.1Å; I45-F47 VanDerWaalsContact C-N 3.35Å; I45-L57 HydrophobicContact CB-CD1 4.35Å; I45-L217 HydrophobicContact CG2-CD1 3.77Å; I45-F220 HydrophobicContact CD1-CD2 3.63Å; I45-F220 HydrophobicContact CD1-CE2 3.62Å |
| 46 | Y | 87.8 | Confident | 90.2 | Very high | 175 Ų | 175 | 56.7 Ų | 56.7 | 69% | 0.686 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.9 | -28.9 | 172.2 | 175.9 | -102.4 | 0 | 0 | 0 | 113.1 | V42 I44 | V42-Y46 PolarHBondContact O-N 2.68Å; I44-Y46 VanDerWaalsContact C-N 3.31Å; I44-Y46 PolarHBondContact O-N 3.42Å |
| 47 | F | 87.8 | Confident | 90 | Very high | 117 Ų | 117 | 56.4 Ų | 56.4 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -86.3 | 146.6 | 175.8 | -61.8 | -74.8 | 0 | 0 | 0 | 111.4 | G43 I44 I45 R53 | G43-F47 WeakPolarHBondContact O-CD2 3.43Å; G43-F47 WeakPolarHBondContact O-CE2 3.32Å; I44-F47 PolarHBondContact O-N 3.29Å; I45-F47 VanDerWaalsContact C-N 3.35Å; F47-R53 VanDerWaalsContact CB-CZ 3.46Å |
| 48 | H | 82.3 | Confident | 89.9 | Confident | 142 Ų | 142 | 55.6 Ų | 55.6 | 66% | 0.657 | 27% | 0.268 | S | S | * | . | trans | -42 | 133.7 | 176.9 | -169.4 | -75 | 0 | 0 | 0 | 112.6 | R53 | H48-R53 VanDerWaalsContact O-CD 3.28Å; H48-R53 WeakPolarHBondContact O-CD 3.14Å; H48-R53 PolarHBondContact O-NH1 3.12Å | ||
| 49 | P | 83.3 | Confident | 89.9 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | trans | -58.2 | 149.6 | -178 | 27.3 | -39.1 | 0 | 0 | 0 | 112.2 | I132 | P49-I132 HydrophobicContact CB-CG2 4.45Å; P49-I132 HydrophobicContact CG-CG2 4.37Å | ||
| 50 | S | 86.8 | Confident | 89.9 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | trans | -155.2 | 156.1 | 167.4 | 68.1 | 0 | 0 | 0 | 0 | 108.2 | F52 R53 C54 | S50-F52 PolarHBondContact O-N 2.77Å; S50-R53 PolarHBondContact O-N 3.17Å; S50-R53 WeakPolarHBondContact OG-CG 3.45Å; S50-R53 PolarHBondContact OG-N 3.06Å; S50-C54 PolarHBondContact O-N 2.98Å; S50-C54 PolarHBondContact O-SG 3.26Å; S50-C54 VanDerWaalsContact O-SG 3.38Å | ||
| 51 | V | 85.9 | Confident | 90 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -52.6 | -42.3 | -179.7 | -178 | 0 | 0 | 0 | 0 | 111.1 | C54 I55 L131 I132 | V51-C54 PolarHBondContact O-N 3.14Å; V51-I55 HydrophobicContact CG1-CD1 4.01Å; V51-I55 WeakPolarHBondContact O-CD1 3.33Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.41Å; V51-I55 PolarHBondContact O-N 3.12Å; V51-L131 HydrophobicContact CG1-CD2 3.87Å; V51-I132 HydrophobicContact CG2-CD1 4.29Å |
| 52 | F | 88.5 | Confident | 90.1 | Very high | 142 Ų | 142 | 55.1 Ų | 55.1 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63 | -45.7 | 174.6 | 178.8 | -102.4 | 0 | 0 | 0 | 113.1 | S50 I55 L56 | S50-F52 PolarHBondContact O-N 2.77Å; F52-I55 PolarHBondContact O-N 2.95Å; F52-L56 HydrophobicContact CE1-CD2 4.02Å; F52-L56 HydrophobicContact CZ-CD2 4.35Å; F52-L56 VanDerWaalsContact O-CB 3.29Å; F52-L56 WeakPolarHBondContact O-CB 3.38Å; F52-L56 PolarHBondContact O-N 3.21Å |
| 53 | R | 90.6 | Very high | 90.3 | Very high | 88 Ų | 88 | 55.6 Ų | 55.6 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.8 | -76.8 | 175.6 | 178.3 | 147.7 | 0.4 | 111.9 | I44 F47 H48 S50 I55 L56 L57 | I44-R53 HydrophobicContact CG2-CB 4.05Å; I44-R53 HydrophobicContact CG2-CG 4.38Å; F47-R53 VanDerWaalsContact CB-CZ 3.46Å; H48-R53 VanDerWaalsContact O-CD 3.28Å; H48-R53 WeakPolarHBondContact O-CD 3.14Å; H48-R53 PolarHBondContact O-NH1 3.12Å; S50-R53 PolarHBondContact O-N 3.17Å; S50-R53 WeakPolarHBondContact OG-CG 3.45Å; S50-R53 PolarHBondContact OG-N 3.06Å; R53-I55 PolarHBondContact O-N 2.72Å; R53-L56 PolarHBondContact O-N 2.73Å; R53-L57 VanDerWaalsContact O-CB 3.29Å; R53-L57 WeakPolarHBondContact O-CB 3.48Å; R53-L57 PolarHBondContact O-N 2.98Å |
| 54 | C | 89.2 | Confident | 90.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.9 | -34.6 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | S50 V51 L131 C146 | S50-C54 PolarHBondContact O-N 2.98Å; S50-C54 PolarHBondContact O-SG 3.26Å; S50-C54 VanDerWaalsContact O-SG 3.38Å; V51-C54 PolarHBondContact O-N 3.14Å; C54-L131 HydrophobicContact CB-CD2 3.97Å; C54-L131 HydrophobicContact CB-CG 4.29Å; C54-C146 WeakPolarHBondContact CA-SG 3.49Å; C54-C146 HydrophobicContact CB-CB 3.79Å; C54-C146 WeakPolarHBondContact CB-SG 3.46Å; C54-C146 VanDerWaalsContact SG-CA 3.59Å; C54-C146 WeakPolarHBondContact SG-CB 3.5Å; C54-C146 CovalentContact SG-SG 2.04Å; C54-C146 PolarHBondContact SG-SG 3.15Å |
| 55 | I | 91.1 | Very high | 90.8 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -51.8 | 170 | -69.8 | 165 | 0 | 0 | 0 | 110.1 | V51 F52 R53 L57 R58 W59 W117 T118 L131 | V51-I55 HydrophobicContact CG1-CD1 4.01Å; V51-I55 WeakPolarHBondContact O-CD1 3.33Å; V51-I55 VanDerWaalsContact O-CG1 3.29Å; V51-I55 WeakPolarHBondContact O-CG1 3.41Å; V51-I55 PolarHBondContact O-N 3.12Å; F52-I55 PolarHBondContact O-N 2.95Å; R53-I55 PolarHBondContact O-N 2.72Å; I55-L57 VanDerWaalsContact C-N 3.29Å; I55-L57 PolarHBondContact O-N 3.11Å; I55-R58 PolarHBondContact O-N 2.71Å; I55-W59 VanDerWaalsContact O-CD1 3.3Å; I55-W59 PolarHBondContact O-N 3.45Å; I55-W59 VanDerWaalsContact O-N 3.1Å; I55-W117 HydrophobicContact CB-CZ3 4.41Å; I55-W117 HydrophobicContact CG1-CH2 3.99Å; I55-W117 HydrophobicContact CG1-CZ3 4.13Å; I55-W117 HydrophobicContact CG2-CZ3 4.23Å; I55-T118 HydrophobicContact CD1-CG2 4.29Å; I55-T118 HydrophobicContact CG2-CG2 3.92Å; I55-L131 HydrophobicContact CG1-CD2 4.08Å |
| 56 | L | 92.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.9 | -38 | -177.6 | -172.9 | 67.6 | 0 | 0 | 0 | 112.3 | I44 F52 R53 R58 W59 V60 | I44-L56 HydrophobicContact CD1-CD2 3.97Å; I44-L56 HydrophobicContact CD1-CG 3.89Å; I44-L56 HydrophobicContact CG1-CD2 4.37Å; F52-L56 HydrophobicContact CE1-CD2 4.02Å; F52-L56 HydrophobicContact CZ-CD2 4.35Å; F52-L56 VanDerWaalsContact O-CB 3.29Å; F52-L56 WeakPolarHBondContact O-CB 3.38Å; F52-L56 PolarHBondContact O-N 3.21Å; R53-L56 PolarHBondContact O-N 2.73Å; L56-R58 PolarHBondContact O-N 3.43Å; L56-W59 PolarHBondContact O-N 3.36Å; L56-V60 HydrophobicContact CD1-CG2 3.75Å; L56-V60 HydrophobicContact CG-CG2 4.01Å; L56-V60 WeakPolarHBondContact O-CB 3.39Å; L56-V60 VanDerWaalsContact O-CG2 3.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.44Å; L56-V60 PolarHBondContact O-N 3.36Å |
| 57 | L | 91.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.6 | -52.4 | 175.1 | -173.1 | 75.7 | 0 | 0 | 0 | 111.4 | P41 I44 I45 R53 I55 R61 | P41-L57 HydrophobicContact CB-CD1 3.72Å; P41-L57 WeakPolarHBondContact O-CD1 3.24Å; I44-L57 HydrophobicContact CB-CD1 4.06Å; I44-L57 HydrophobicContact CG2-CB 4.12Å; I44-L57 HydrophobicContact CG2-CD1 4Å; I45-L57 HydrophobicContact CB-CD1 4.35Å; R53-L57 VanDerWaalsContact O-CB 3.29Å; R53-L57 WeakPolarHBondContact O-CB 3.48Å; R53-L57 PolarHBondContact O-N 2.98Å; I55-L57 VanDerWaalsContact C-N 3.29Å; I55-L57 PolarHBondContact O-N 3.11Å; L57-R61 WeakPolarHBondContact O-CB 3.34Å; L57-R61 PolarHBondContact O-N 3.24Å |
| 58 | R | 92.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 179.1 | -72.2 | 171.3 | 169.9 | 127.8 | 5.1 | 111.6 | I55 L56 L62 W117 L147 D152 | I55-R58 PolarHBondContact O-N 2.71Å; L56-R58 PolarHBondContact O-N 3.43Å; R58-L62 VanDerWaalsContact O-CB 3.32Å; R58-L62 WeakPolarHBondContact O-CB 3.4Å; R58-L62 PolarHBondContact O-N 3.18Å; R58-L62 VanDerWaalsContact O-N 3.08Å; R58-W117 HydrophobicContact CB-CZ3 4.45Å; R58-L147 PolarHBondContact NH2-O 3.05Å; R58-D152 IonicContact CZ-OD1 3.9Å; R58-D152 IonicContact CZ-OD2 3.25Å; R58-D152 IonicContact NE-OD1 3.58Å; R58-D152 PolarHBondContact NE-OD1 2.91Å; R58-D152 IonicContact NE-OD2 3.64Å; R58-D152 VanDerWaalsContact NH2-CG 3.29Å; R58-D152 IonicContact NH2-OD1 3.4Å; R58-D152 PolarHBondContact NH2-OD1 3.36Å; R58-D152 IonicContact NH2-OD2 2.73Å; R58-D152 PolarHBondContact NH2-OD2 2.91Å |
| 59 | W | 94.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 31.5 Ų | 31.5 | 23% | 0.231 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.7 | -54.4 | 177.6 | -88.9 | 74.2 | 0 | 0 | 0 | 112.6 | I55 L56 L62 L63 L114 V115 T118 | I55-W59 VanDerWaalsContact O-CD1 3.3Å; I55-W59 PolarHBondContact O-N 3.45Å; I55-W59 VanDerWaalsContact O-N 3.1Å; L56-W59 PolarHBondContact O-N 3.36Å; W59-L62 PolarHBondContact O-N 2.86Å; W59-L63 HydrophobicContact CE3-CD1 3.92Å; W59-L63 WeakPolarHBondContact O-CB 3.49Å; W59-L63 VanDerWaalsContact O-CG 3.29Å; W59-L63 WeakPolarHBondContact O-CG 3.46Å; W59-L63 PolarHBondContact O-N 3.33Å; W59-L114 HydrophobicContact CB-CD1 4.42Å; W59-L114 HydrophobicContact CD2-CB 3.91Å; W59-L114 HydrophobicContact CD2-CD1 3.92Å; W59-L114 HydrophobicContact CD2-CG 4.35Å; W59-L114 HydrophobicContact CE3-CB 4.26Å; W59-L114 HydrophobicContact CE3-CD1 3.92Å; W59-L114 HydrophobicContact CG-CB 4.44Å; W59-L114 HydrophobicContact CG-CD1 4.13Å; W59-L114 HydrophobicContact CG-CD2 4.2Å; W59-L114 HydrophobicContact CH2-CB 4.19Å; W59-L114 HydrophobicContact CZ2-CB 3.81Å; W59-L114 HydrophobicContact CZ3-CB 4.38Å; W59-V115 HydrophobicContact CH2-CG2 3.59Å; W59-V115 HydrophobicContact CZ2-CG2 3.87Å; W59-T118 PolarHBondContact NE1-OG1 3.48Å |
| 60 | V | 95.9 | Very high | 93.3 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | -172.7 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | L37 F40 P41 I44 L56 G64 | L37-V60 HydrophobicContact CB-CG1 4.45Å; L37-V60 HydrophobicContact CD2-CG1 4.16Å; L37-V60 VanDerWaalsContact O-CG1 3.26Å; L37-V60 WeakPolarHBondContact O-CG1 3.36Å; F40-V60 HydrophobicContact CB-CG1 3.68Å; P41-V60 HydrophobicContact CG-CG1 4.37Å; I44-V60 HydrophobicContact CD1-CB 4.43Å; I44-V60 HydrophobicContact CD1-CG2 4.43Å; L56-V60 HydrophobicContact CD1-CG2 3.75Å; L56-V60 HydrophobicContact CG-CG2 4.01Å; L56-V60 WeakPolarHBondContact O-CB 3.39Å; L56-V60 VanDerWaalsContact O-CG2 3.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.44Å; L56-V60 PolarHBondContact O-N 3.36Å; V60-G64 PolarHBondContact O-N 2.85Å |
| 61 | R | 94.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 175.4 | 175.8 | 53.4 | -173.3 | 62.8 | 13.1 | 112.6 | P41 L57 F65 E159 | P41-R61 HydrophobicContact CB-CB 4.38Å; P41-R61 HydrophobicContact CG-CB 3.7Å; L57-R61 WeakPolarHBondContact O-CB 3.34Å; L57-R61 PolarHBondContact O-N 3.24Å; R61-F65 WeakPolarHBondContact O-CB 3.43Å; R61-F65 PolarHBondContact O-N 2.99Å; R61-E159 IonicContact CZ-OE1 2.85Å; R61-E159 IonicContact CZ-OE2 2.98Å; R61-E159 VanDerWaalsContact NH1-CD 3.3Å; R61-E159 IonicContact NH1-OE1 3.52Å; R61-E159 PolarHBondContact NH1-OE1 3.06Å; R61-E159 IonicContact NH1-OE2 2.74Å; R61-E159 PolarHBondContact NH1-OE2 3.48Å; R61-E159 IonicContact NH2-OE1 2.8Å; R61-E159 IonicContact NH2-OE2 3.98Å; R61-E159 PolarHBondContact NH2-OE2 2.91Å |
| 62 | L | 95 | Very high | 94.1 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -77.1 | -39.6 | -179.8 | -171.2 | 68.7 | 0 | 0 | 0 | 112.3 | R58 W59 F65 A66 V110 L114 M155 E159 | R58-L62 VanDerWaalsContact O-CB 3.32Å; R58-L62 WeakPolarHBondContact O-CB 3.4Å; R58-L62 PolarHBondContact O-N 3.18Å; R58-L62 VanDerWaalsContact O-N 3.08Å; W59-L62 PolarHBondContact O-N 2.86Å; L62-F65 PolarHBondContact O-N 2.89Å; L62-A66 WeakPolarHBondContact O-CB 3.49Å; L62-A66 PolarHBondContact O-N 3.3Å; L62-V110 HydrophobicContact CD2-CG1 3.66Å; L62-V110 HydrophobicContact CG-CG1 3.75Å; L62-L114 HydrophobicContact CB-CD1 4.47Å; L62-L114 HydrophobicContact CD2-CD1 4.01Å; L62-L114 HydrophobicContact CD2-CD2 3.78Å; L62-L114 HydrophobicContact CD2-CG 3.8Å; L62-M155 HydrophobicContact CD1-CE 3.74Å; L62-M155 HydrophobicContact CD2-CE 3.36Å; L62-M155 HydrophobicContact CG-CE 4.2Å; L62-E159 HydrophobicContact CD1-CG 4.18Å; L62-E159 WeakPolarHBondContact CD1-OE1 3.46Å |
| 63 | L | 96.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.168 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.4 | -37.2 | 176.4 | -71 | 172 | 0 | 0 | 0 | 112.2 | L37 W59 T67 V110 L114 | L37-L63 HydrophobicContact CD1-CB 4.47Å; W59-L63 HydrophobicContact CE3-CD1 3.92Å; W59-L63 WeakPolarHBondContact O-CB 3.49Å; W59-L63 VanDerWaalsContact O-CG 3.29Å; W59-L63 WeakPolarHBondContact O-CG 3.46Å; W59-L63 PolarHBondContact O-N 3.33Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 WeakPolarHBondContact O-CG2 3.11Å; L63-T67 PolarHBondContact O-N 2.98Å; L63-T67 PolarHBondContact O-OG1 3.41Å; L63-V110 HydrophobicContact CD2-CG1 3.8Å; L63-L114 HydrophobicContact CD1-CD1 4.33Å; L63-L114 HydrophobicContact CD2-CD1 4.3Å; L63-L114 HydrophobicContact CG-CD1 3.96Å |
| 64 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L37 V60 T67 V68 | L37-G64 VanDerWaalsContact CB-CA 3.48Å; V60-G64 PolarHBondContact O-N 2.85Å; G64-T67 WeakPolarHBondContact CA-OG1 3.48Å; G64-T67 PolarHBondContact O-N 3.37Å; G64-T67 PolarHBondContact O-OG1 3.31Å; G64-V68 WeakPolarHBondContact O-CG2 3.34Å; G64-V68 PolarHBondContact O-N 3.42Å |
| 65 | F | 96.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 4% | 0.035 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 175.9 | 176.5 | -88.4 | 0 | 0 | 0 | 111.9 | L38 R61 L62 T67 V68 Y69 E159 F162 L163 E193 | L38-F65 HydrophobicContact CD2-CB 4.19Å; R61-F65 WeakPolarHBondContact O-CB 3.43Å; R61-F65 PolarHBondContact O-N 2.99Å; L62-F65 PolarHBondContact O-N 2.89Å; F65-T67 VanDerWaalsContact C-N 3.31Å; F65-T67 PolarHBondContact O-N 2.85Å; F65-V68 PolarHBondContact O-N 3.35Å; F65-Y69 AromaticContact CD2-CD2 3.52Å; F65-Y69 HydrophobicContact CD2-CD2 3.52Å; F65-Y69 HydrophobicContact CD2-CE2 4.03Å; F65-Y69 AromaticContact CE2-CD2 3.7Å; F65-Y69 HydrophobicContact CE2-CD2 3.7Å; F65-Y69 HydrophobicContact CE2-CE2 4.34Å; F65-Y69 HydrophobicContact CE2-CG 4.38Å; F65-Y69 HydrophobicContact CG-CD2 4.1Å; F65-Y69 HydrophobicContact CZ-CD2 4.42Å; F65-Y69 PolarHBondContact O-N 2.74Å; F65-E159 HydrophobicContact CD1-CG 3.85Å; F65-E159 HydrophobicContact CD2-CG 4.38Å; F65-E159 HydrophobicContact CE1-CB 3.87Å; F65-E159 HydrophobicContact CE1-CG 3.63Å; F65-E159 HydrophobicContact CE2-CB 4.07Å; F65-E159 HydrophobicContact CE2-CG 4.18Å; F65-E159 HydrophobicContact CG-CG 4.22Å; F65-E159 HydrophobicContact CZ-CB 3.58Å; F65-E159 HydrophobicContact CZ-CG 3.79Å; F65-F162 HydrophobicContact CE1-CB 4.48Å; F65-F162 AromaticContact CE1-CD1 3.97Å; F65-F162 HydrophobicContact CE1-CD1 3.97Å; F65-F162 HydrophobicContact CE1-CG 4.49Å; F65-F162 HydrophobicContact CZ-CD1 4.3Å; F65-L163 HydrophobicContact CE2-CD1 3.96Å; F65-L163 HydrophobicContact CE2-CD2 4.23Å; F65-L163 HydrophobicContact CE2-CG 4.17Å; F65-L163 HydrophobicContact CZ-CD1 3.99Å; F65-L163 HydrophobicContact CZ-CD2 4.09Å; F65-L163 HydrophobicContact CZ-CG 3.81Å; F65-E193 HydrophobicContact CE2-CG 4.49Å |
| 66 | A | 97 | Very high | 94.4 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 5% | 0.05 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.1 | -29.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L62 G70 L107 V110 | L62-A66 WeakPolarHBondContact O-CB 3.49Å; L62-A66 PolarHBondContact O-N 3.3Å; A66-G70 WeakPolarHBondContact O-CA 3.49Å; A66-G70 PolarHBondContact O-N 2.95Å; A66-G70 VanDerWaalsContact O-N 3.15Å; A66-L107 HydrophobicContact CB-CD2 3.8Å; A66-V110 HydrophobicContact CB-CG1 4.33Å; A66-V110 HydrophobicContact CB-CG2 3.99Å |
| 67 | T | 96.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 9% | 0.092 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -73.9 | -50.6 | 173 | 39.9 | 0 | 0 | 0 | 0 | 111.9 | G34 L63 G64 F65 T71 L107 | G34-T67 WeakPolarHBondContact CA-OG1 3.44Å; L63-T67 WeakPolarHBondContact O-CB 3.42Å; L63-T67 WeakPolarHBondContact O-CG2 3.11Å; L63-T67 PolarHBondContact O-N 2.98Å; L63-T67 PolarHBondContact O-OG1 3.41Å; G64-T67 WeakPolarHBondContact CA-OG1 3.48Å; G64-T67 PolarHBondContact O-N 3.37Å; G64-T67 PolarHBondContact O-OG1 3.31Å; F65-T67 VanDerWaalsContact C-N 3.31Å; F65-T67 PolarHBondContact O-N 2.85Å; T67-T71 WeakPolarHBondContact O-CB 3.3Å; T67-T71 WeakPolarHBondContact O-CG2 3.45Å; T67-T71 PolarHBondContact O-N 2.8Å; T67-T71 VanDerWaalsContact O-N 3.1Å; T67-T71 PolarHBondContact O-OG1 2.81Å; T67-L107 HydrophobicContact CG2-CD1 3.77Å; T67-L107 HydrophobicContact CG2-CD2 3.64Å; T67-L107 HydrophobicContact CG2-CG 4.35Å |
| 68 | V | 96.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.018 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.7 | -64.5 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | L38 G64 F65 G70 T71 L72 T231 | L38-V68 HydrophobicContact CD1-CB 4.26Å; L38-V68 HydrophobicContact CD1-CG2 3.87Å; G64-V68 WeakPolarHBondContact O-CG2 3.34Å; G64-V68 PolarHBondContact O-N 3.42Å; F65-V68 PolarHBondContact O-N 3.35Å; V68-G70 VanDerWaalsContact C-N 3.3Å; V68-G70 PolarHBondContact O-N 2.91Å; V68-T71 PolarHBondContact O-N 3.43Å; V68-T71 VanDerWaalsContact O-N 3.16Å; V68-T71 PolarHBondContact O-OG1 3.04Å; V68-L72 HydrophobicContact CG1-CD1 3.93Å; V68-L72 WeakPolarHBondContact O-CD1 3.48Å; V68-L72 PolarHBondContact O-N 3.32Å; V68-T231 HydrophobicContact CG1-CG2 4.12Å |
| 69 | Y | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -74.4 | -24.4 | -172.3 | -60 | -68.6 | 0 | 0 | 0 | 112 | L38 F65 L72 T73 L163 E193 T231 | L38-Y69 HydrophobicContact CD1-CE2 4.22Å; F65-Y69 AromaticContact CD2-CD2 3.52Å; F65-Y69 HydrophobicContact CD2-CD2 3.52Å; F65-Y69 HydrophobicContact CD2-CE2 4.03Å; F65-Y69 AromaticContact CE2-CD2 3.7Å; F65-Y69 HydrophobicContact CE2-CD2 3.7Å; F65-Y69 HydrophobicContact CE2-CE2 4.34Å; F65-Y69 HydrophobicContact CE2-CG 4.38Å; F65-Y69 HydrophobicContact CG-CD2 4.1Å; F65-Y69 HydrophobicContact CZ-CD2 4.42Å; F65-Y69 PolarHBondContact O-N 2.74Å; Y69-L72 HydrophobicContact CD1-CD2 4.38Å; Y69-L72 HydrophobicContact CE1-CD2 4.49Å; Y69-T73 WeakPolarHBondContact O-CB 3.35Å; Y69-T73 PolarHBondContact O-N 3.03Å; Y69-T73 PolarHBondContact O-OG1 3.21Å; Y69-L163 HydrophobicContact CD1-CD2 4.35Å; Y69-L163 HydrophobicContact CG-CD2 4.24Å; Y69-E193 HydrophobicContact CD1-CB 4.34Å; Y69-E193 HydrophobicContact CD1-CG 4.03Å; Y69-E193 HydrophobicContact CD2-CG 4.12Å; Y69-E193 HydrophobicContact CE1-CB 3.66Å; Y69-E193 HydrophobicContact CE1-CG 3.63Å; Y69-E193 HydrophobicContact CE2-CG 3.72Å; Y69-E193 HydrophobicContact CG-CG 4.29Å; Y69-E193 VanDerWaalsContact CZ-CG 3.48Å; Y69-E193 PolarHBondContact OH-OE2 2.66Å; Y69-T231 HydrophobicContact CE1-CG2 4.36Å; Y69-T231 PolarHBondContact OH-OG1 3.34Å |
| 70 | G | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A66 V68 T73 L74 | A66-G70 WeakPolarHBondContact O-CA 3.49Å; A66-G70 PolarHBondContact O-N 2.95Å; A66-G70 VanDerWaalsContact O-N 3.15Å; V68-G70 VanDerWaalsContact C-N 3.3Å; V68-G70 PolarHBondContact O-N 2.91Å; G70-T73 PolarHBondContact O-N 2.68Å; G70-L74 VanDerWaalsContact O-CB 3.28Å; G70-L74 WeakPolarHBondContact O-CB 3.13Å; G70-L74 VanDerWaalsContact O-CG 3.27Å; G70-L74 WeakPolarHBondContact O-CG 3.44Å; G70-L74 PolarHBondContact O-N 3.1Å |
| 71 | T | 94.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.5 | -41.4 | 177 | 46.8 | 0 | 0 | 0 | 0 | 112.8 | A30 I31 T67 V68 T73 K75 L103 | A30-T71 HydrophobicContact CB-CG2 3.88Å; I31-T71 WeakPolarHBondContact CG1-OG1 3.41Å; T67-T71 WeakPolarHBondContact O-CB 3.3Å; T67-T71 WeakPolarHBondContact O-CG2 3.45Å; T67-T71 PolarHBondContact O-N 2.8Å; T67-T71 VanDerWaalsContact O-N 3.1Å; T67-T71 PolarHBondContact O-OG1 2.81Å; V68-T71 PolarHBondContact O-N 3.43Å; V68-T71 VanDerWaalsContact O-N 3.16Å; V68-T71 PolarHBondContact O-OG1 3.04Å; T71-T73 PolarHBondContact O-N 3.48Å; T71-K75 VanDerWaalsContact O-CB 3.25Å; T71-K75 WeakPolarHBondContact O-CB 3.49Å; T71-K75 PolarHBondContact O-N 3.44Å; T71-L103 HydrophobicContact CG2-CD1 3.73Å; T71-L103 HydrophobicContact CG2-CD2 3.45Å; T71-L103 VanDerWaalsContact CG2-CD2 3.45Å; T71-L103 HydrophobicContact CG2-CG 4.17Å |
| 72 | L | 94 | Very high | 92 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 172.9 | -87 | 77.2 | 0 | 0 | 0 | 110.7 | I31 V68 Y69 K75 L76 A189 V190 T231 L235 | I31-L72 HydrophobicContact CD1-CD1 4.16Å; I31-L72 HydrophobicContact CG1-CD1 4.14Å; V68-L72 HydrophobicContact CG1-CD1 3.93Å; V68-L72 WeakPolarHBondContact O-CD1 3.48Å; V68-L72 PolarHBondContact O-N 3.32Å; Y69-L72 HydrophobicContact CD1-CD2 4.38Å; Y69-L72 HydrophobicContact CE1-CD2 4.49Å; L72-K75 PolarHBondContact O-N 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.35Å; L72-L76 PolarHBondContact O-N 2.89Å; L72-A189 HydrophobicContact CD2-CB 4.12Å; L72-V190 HydrophobicContact CB-CG2 4.44Å; L72-V190 HydrophobicContact CD2-CG2 3.92Å; L72-T231 HydrophobicContact CD1-CG2 4.5Å; L72-T231 HydrophobicContact CD2-CG2 4.27Å; L72-L235 HydrophobicContact CD1-CD1 3.85Å; L72-L235 HydrophobicContact CD2-CD1 4.19Å; L72-L235 HydrophobicContact CG-CD1 4.16Å |
| 73 | T | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | -175.6 | -54.2 | 0 | 0 | 0 | 0 | 112.3 | Y69 G70 T71 K75 L76 Y77 F162 W165 A166 L169 | Y69-T73 WeakPolarHBondContact O-CB 3.35Å; Y69-T73 PolarHBondContact O-N 3.03Å; Y69-T73 PolarHBondContact O-OG1 3.21Å; G70-T73 PolarHBondContact O-N 2.68Å; T71-T73 PolarHBondContact O-N 3.48Å; T73-K75 VanDerWaalsContact C-N 3.31Å; T73-K75 PolarHBondContact O-N 3.19Å; T73-L76 PolarHBondContact O-N 3.18Å; T73-Y77 WeakPolarHBondContact O-CB 3.42Å; T73-Y77 PolarHBondContact O-N 2.86Å; T73-F162 HydrophobicContact CG2-CZ 4.34Å; T73-W165 HydrophobicContact CG2-CE3 3.6Å; T73-W165 HydrophobicContact CG2-CH2 4.13Å; T73-W165 HydrophobicContact CG2-CZ3 3.38Å; T73-A166 HydrophobicContact CG2-CB 3.93Å; T73-A166 VanDerWaalsContact OG1-CB 3.23Å; T73-A166 WeakPolarHBondContact OG1-CB 3.34Å; T73-L169 HydrophobicContact CG2-CD1 3.48Å; T73-L169 VanDerWaalsContact CG2-CD1 3.48Å |
| 74 | L | 92.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 7% | 0.068 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -32.2 | 172.9 | -75.3 | 172.7 | 0 | 0 | 0 | 112.6 | G70 R78 V99 L102 L103 I106 | G70-L74 VanDerWaalsContact O-CB 3.28Å; G70-L74 WeakPolarHBondContact O-CB 3.13Å; G70-L74 VanDerWaalsContact O-CG 3.27Å; G70-L74 WeakPolarHBondContact O-CG 3.44Å; G70-L74 PolarHBondContact O-N 3.1Å; L74-R78 WeakPolarHBondContact O-CB 3.22Å; L74-R78 PolarHBondContact O-N 2.94Å; L74-V99 HydrophobicContact CB-CG1 3.91Å; L74-L102 HydrophobicContact CD1-CB 4.03Å; L74-L102 HydrophobicContact CD2-CB 3.85Å; L74-L102 HydrophobicContact CD2-CD1 4.31Å; L74-L103 HydrophobicContact CD1-CB 3.77Å; L74-L103 HydrophobicContact CD1-CD1 4.14Å; L74-L103 VanDerWaalsContact CD1-N 3.32Å; L74-I106 HydrophobicContact CD1-CD1 3.9Å; L74-I106 HydrophobicContact CD2-CD1 4.31Å; L74-I106 HydrophobicContact CG-CD1 4.09Å |
| 75 | K | 90.3 | Very high | 88 | Confident | 15 Ų | 15 | 26.9 Ų | 26.9 | 7% | 0.065 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | 174.4 | -171.8 | 165.3 | 177.1 | 178.8 | 0 | 111.7 | S23 T71 L72 T73 R78 V79 E182 M186 | S23-K75 PolarHBondContact O-NZ 2.92Å; S23-K75 PolarHBondContact OG-NZ 3.34Å; T71-K75 VanDerWaalsContact O-CB 3.25Å; T71-K75 WeakPolarHBondContact O-CB 3.49Å; T71-K75 PolarHBondContact O-N 3.44Å; L72-K75 PolarHBondContact O-N 3.47Å; T73-K75 VanDerWaalsContact C-N 3.31Å; T73-K75 PolarHBondContact O-N 3.19Å; K75-R78 WeakPolarHBondContact O-CB 3.19Å; K75-R78 PolarHBondContact O-N 2.92Å; K75-V79 WeakPolarHBondContact O-CG2 3.12Å; K75-V79 PolarHBondContact O-N 2.87Å; K75-E182 IonicContact NZ-OE1 2.72Å; K75-E182 PolarHBondContact NZ-OE1 3.16Å; K75-E182 IonicContact NZ-OE2 3.69Å; K75-M186 HydrophobicContact CD-CE 3.63Å; K75-M186 HydrophobicContact CD-SD 4.14Å; K75-M186 HydrophobicContact CG-CE 4.36Å; K75-M186 HydrophobicContact CG-SD 4.23Å |
| 76 | L | 89.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 170.6 | -72.9 | 161.8 | 0 | 0 | 0 | 111.8 | L72 T73 R78 V79 L80 C170 M186 V190 | L72-L76 WeakPolarHBondContact O-CG 3.35Å; L72-L76 PolarHBondContact O-N 2.89Å; T73-L76 PolarHBondContact O-N 3.18Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.34Å; L76-V79 WeakPolarHBondContact O-CB 3.36Å; L76-V79 PolarHBondContact O-N 2.85Å; L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 PolarHBondContact O-N 3.07Å; L76-C170 WeakPolarHBondContact CD1-SG 3.31Å; L76-M186 HydrophobicContact CD1-CB 4.45Å; L76-M186 HydrophobicContact CD2-CB 4.05Å; L76-M186 HydrophobicContact CG-CB 4.34Å; L76-V190 HydrophobicContact CD1-CG2 4.35Å |
| 77 | Y | 89.4 | Confident | 84.4 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 173.9 | 176.8 | -96.6 | 0 | 0 | 0 | 112.3 | T73 L80 K81 L169 | T73-Y77 WeakPolarHBondContact O-CB 3.42Å; T73-Y77 PolarHBondContact O-N 2.86Å; Y77-L80 PolarHBondContact O-N 2.83Å; Y77-K81 HydrophobicContact CE1-CD 3.85Å; Y77-K81 VanDerWaalsContact O-CB 3.27Å; Y77-K81 WeakPolarHBondContact O-CB 3.25Å; Y77-K81 PolarHBondContact O-N 3.19Å; Y77-K81 PolarHBondContact OH-NZ 3.3Å; Y77-L169 HydrophobicContact CD2-CD2 4.36Å |
| 78 | R | 87.6 | Confident | 82 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 174.3 | -170.9 | -166.8 | -168.3 | -139.2 | 1.1 | 111.4 | L74 K75 L76 V82 Y93 M94 V99 | L74-R78 WeakPolarHBondContact O-CB 3.22Å; L74-R78 PolarHBondContact O-N 2.94Å; K75-R78 WeakPolarHBondContact O-CB 3.19Å; K75-R78 PolarHBondContact O-N 2.92Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.34Å; R78-V82 WeakPolarHBondContact O-CG2 3.48Å; R78-V82 PolarHBondContact O-N 3.3Å; R78-V82 VanDerWaalsContact O-N 3.13Å; R78-Y93 PolarHBondContact NH2-OH 3.21Å; R78-Y93 VanDerWaalsContact NH2-OH 3.07Å; R78-M94 HydrophobicContact CG-CB 4.33Å; R78-M94 PolarHBondContact NE-O 2.86Å; R78-M94 VanDerWaalsContact NE-O 3.11Å; R78-M94 PolarHBondContact NH2-O 3.14Å; R78-V99 HydrophobicContact CG-CG2 4.41Å |
| 79 | V | 84.4 | Confident | 79.7 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -55.3 | 175 | 170.9 | 0 | 0 | 0 | 0 | 110 | K75 L76 K81 V82 F83 V173 P183 | K75-V79 WeakPolarHBondContact O-CG2 3.12Å; K75-V79 PolarHBondContact O-N 2.87Å; L76-V79 WeakPolarHBondContact O-CB 3.36Å; L76-V79 PolarHBondContact O-N 2.85Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 2.96Å; V79-V82 PolarHBondContact O-N 2.88Å; V79-V82 VanDerWaalsContact O-N 3.12Å; V79-F83 HydrophobicContact CG1-CD2 3.92Å; V79-F83 HydrophobicContact CG1-CE2 4.04Å; V79-F83 WeakPolarHBondContact O-CD2 3.41Å; V79-F83 PolarHBondContact O-N 3.21Å; V79-F83 VanDerWaalsContact O-N 3.1Å; V79-V173 HydrophobicContact CG1-CG1 3.92Å; V79-V173 HydrophobicContact CG1-CG2 4.39Å; V79-P183 HydrophobicContact CG1-CG 4.43Å |
| 80 | L | 85.3 | Confident | 77.5 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52 | -48.5 | -179.8 | -173.3 | 60.2 | 0 | 0 | 0 | 112.1 | L76 Y77 V82 F83 L84 L169 A172 V173 | L76-L80 WeakPolarHBondContact O-CB 3.32Å; L76-L80 PolarHBondContact O-N 3.07Å; Y77-L80 PolarHBondContact O-N 2.83Å; L80-V82 PolarHBondContact O-N 3.34Å; L80-F83 PolarHBondContact O-N 3.47Å; L80-L84 HydrophobicContact CD1-CD1 3.5Å; L80-L84 VanDerWaalsContact CD1-CD1 3.5Å; L80-L84 HydrophobicContact CG-CD1 3.88Å; L80-L84 VanDerWaalsContact O-CD1 3.23Å; L80-L84 WeakPolarHBondContact O-CD1 3.48Å; L80-L84 PolarHBondContact O-N 2.9Å; L80-L169 HydrophobicContact CD2-CD2 3.5Å; L80-L169 VanDerWaalsContact CD2-CD2 3.5Å; L80-A172 HydrophobicContact CD1-CB 3.69Å; L80-A172 HydrophobicContact CD2-CB 3.78Å; L80-A172 HydrophobicContact CG-CB 4.42Å; L80-V173 HydrophobicContact CB-CG2 3.68Å; L80-V173 HydrophobicContact CD1-CG2 4Å; L80-V173 HydrophobicContact CG-CG2 4.33Å |
| 81 | K | 83.9 | Confident | 75.6 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | -178.8 | -166.7 | 166.8 | -162.8 | 158.4 | 0 | 113 | Y77 V79 S85 M94 | Y77-K81 HydrophobicContact CE1-CD 3.85Å; Y77-K81 VanDerWaalsContact O-CB 3.27Å; Y77-K81 WeakPolarHBondContact O-CB 3.25Å; Y77-K81 PolarHBondContact O-N 3.19Å; Y77-K81 PolarHBondContact OH-NZ 3.3Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 2.96Å; K81-S85 VanDerWaalsContact O-CB 3.3Å; K81-S85 WeakPolarHBondContact O-CB 3.35Å; K81-S85 PolarHBondContact O-N 3.25Å; K81-S85 PolarHBondContact O-OG 3.17Å; K81-M94 HydrophobicContact CD-CE 4.42Å |
| 82 | V | 79.8 | Confident | 73.6 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 174.8 | 168 | 0 | 0 | 0 | 0 | 110.6 | R78 V79 L80 S85 R86 | R78-V82 WeakPolarHBondContact O-CG2 3.48Å; R78-V82 PolarHBondContact O-N 3.3Å; R78-V82 VanDerWaalsContact O-N 3.13Å; V79-V82 PolarHBondContact O-N 2.88Å; V79-V82 VanDerWaalsContact O-N 3.12Å; L80-V82 PolarHBondContact O-N 3.34Å; V82-S85 PolarHBondContact O-N 3.14Å; V82-S85 PolarHBondContact O-OG 2.92Å; V82-R86 PolarHBondContact O-N 3.42Å |
| 83 | F | 72.6 | Confident | 71.8 | Confident | 69 Ų | 69 | 80.6 Ų | 80.6 | 30% | 0.303 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74 | -37.9 | -178.3 | -76.8 | -79.3 | 0 | 0 | 0 | 113.9 | V79 L80 S85 R86 V176 | V79-F83 HydrophobicContact CG1-CD2 3.92Å; V79-F83 HydrophobicContact CG1-CE2 4.04Å; V79-F83 WeakPolarHBondContact O-CD2 3.41Å; V79-F83 PolarHBondContact O-N 3.21Å; V79-F83 VanDerWaalsContact O-N 3.1Å; L80-F83 PolarHBondContact O-N 3.47Å; F83-S85 VanDerWaalsContact C-N 3.26Å; F83-S85 PolarHBondContact O-N 2.91Å; F83-R86 PolarHBondContact O-N 2.88Å; F83-V176 HydrophobicContact CB-CG1 4.33Å; F83-V176 HydrophobicContact CB-CG2 3.56Å; F83-V176 HydrophobicContact CD1-CG1 3.48Å; F83-V176 VanDerWaalsContact CD1-CG1 3.48Å; F83-V176 HydrophobicContact CD1-CG2 4.27Å; F83-V176 HydrophobicContact CD2-CB 4.39Å; F83-V176 HydrophobicContact CD2-CG1 3.58Å; F83-V176 HydrophobicContact CD2-CG2 3.96Å; F83-V176 HydrophobicContact CE1-CG1 3.52Å; F83-V176 HydrophobicContact CE2-CG1 3.64Å; F83-V176 HydrophobicContact CG-CB 4.25Å; F83-V176 HydrophobicContact CG-CG1 3.5Å; F83-V176 HydrophobicContact CG-CG2 3.66Å; F83-V176 HydrophobicContact CZ-CG1 3.61Å |
| 84 | L | 70.8 | Confident | 70.4 | Confident | 116 Ų | 116 | 82.3 Ų | 82.3 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62 | -35.3 | 169.2 | -87.2 | 81 | 0 | 0 | 0 | 111.7 | L80 R86 T87 | L80-L84 HydrophobicContact CD1-CD1 3.5Å; L80-L84 VanDerWaalsContact CD1-CD1 3.5Å; L80-L84 HydrophobicContact CG-CD1 3.88Å; L80-L84 VanDerWaalsContact O-CD1 3.23Å; L80-L84 WeakPolarHBondContact O-CD1 3.48Å; L80-L84 PolarHBondContact O-N 2.9Å; L84-R86 VanDerWaalsContact C-N 3.3Å; L84-R86 PolarHBondContact O-N 2.8Å; L84-T87 PolarHBondContact O-N 3.44Å |
| 85 | S | 62.2 | Low | 69.8 | Low | 21 Ų | 21 | 85.3 Ų | 85.3 | 15% | 0.147 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.6 | -21.6 | 178 | 76.2 | 0 | 0 | 0 | 0 | 114.4 | K81 V82 F83 T87 A88 | K81-S85 VanDerWaalsContact O-CB 3.3Å; K81-S85 WeakPolarHBondContact O-CB 3.35Å; K81-S85 PolarHBondContact O-N 3.25Å; K81-S85 PolarHBondContact O-OG 3.17Å; V82-S85 PolarHBondContact O-N 3.14Å; V82-S85 PolarHBondContact O-OG 2.92Å; F83-S85 VanDerWaalsContact C-N 3.26Å; F83-S85 PolarHBondContact O-N 2.91Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 VanDerWaalsContact O-N 3.11Å; S85-A88 CarbonylContact O-C 3.58Å; S85-A88 VanDerWaalsContact O-C 3.24Å; S85-A88 PolarHBondContact O-N 3.11Å; S85-A88 VanDerWaalsContact O-O 3.04Å |
| 86 | R | 59.8 | Low | 69.3 | Low | 203 Ų | 203 | 86.8 Ų | 86.8 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.3 | 174.5 | -88.1 | -175.1 | 165.7 | -176.4 | -4.5 | 113.2 | V82 F83 L84 | V82-R86 PolarHBondContact O-N 3.42Å; F83-R86 PolarHBondContact O-N 2.88Å; L84-R86 VanDerWaalsContact C-N 3.3Å; L84-R86 PolarHBondContact O-N 2.8Å |
| 87 | T | 56.6 | Low | 69.1 | Low | 134 Ų | 134 | 94.9 Ų | 94.9 | 82% | 0.822 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -17.2 | 173.7 | -44.1 | 0 | 0 | 0 | 0 | 112.9 | L84 S85 | L84-T87 PolarHBondContact O-N 3.44Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 VanDerWaalsContact O-N 3.11Å |
| 88 | A | 46.7 | Very low | 69 | Low | 62 Ų | 62 | 97.2 Ų | 97.2 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -153.8 | 113.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S85 | S85-A88 CarbonylContact O-C 3.58Å; S85-A88 VanDerWaalsContact O-C 3.24Å; S85-A88 PolarHBondContact O-N 3.11Å; S85-A88 VanDerWaalsContact O-O 3.04Å |
| 89 | Q | 48.6 | Very low | 69.1 | Low | 171 Ų | 171 | 96.1 Ų | 96.1 | 80% | 0.799 | 46% | 0.463 | S | S | * | . | S | Bend | trans | 65.4 | 151.9 | 173.6 | -112.7 | 77.2 | -20.9 | 0 | 0 | 117.8 | I91 | Q89-I91 VanDerWaalsContact C-N 3.3Å; Q89-I91 PolarHBondContact O-N 3.08Å |
| 90 | R | 48.5 | Very low | 69.4 | Low | 250 Ų | 250 | 97.2 Ų | 97.2 | 94% | 0.943 | 47% | 0.467 | S | S | * | . | trans | -68.3 | 84.5 | 163.1 | -71.8 | -177.6 | 179.2 | 175.7 | -1.6 | 109.6 | ||||
| 91 | I | 55.6 | Low | 69.7 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -68 | 127.5 | 166.5 | -62.6 | -169.4 | 0 | 0 | 0 | 108 | Q89 Y93 | Q89-I91 VanDerWaalsContact C-N 3.3Å; Q89-I91 PolarHBondContact O-N 3.08Å; I91-Y93 PolarHBondContact O-N 2.99Å |
| 92 | P | 53.6 | Low | 70.2 | Confident | 103 Ų | 103 | 102.3 Ų | 102.3 | 67% | 0.669 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 133.3 | 179 | 24.1 | -33.8 | 0 | 0 | 0 | 110.5 | M94 | P92-M94 PolarHBondContact O-N 3.4Å; P92-M94 VanDerWaalsContact O-N 3.17Å |
| 93 | Y | 56.3 | Low | 70.9 | Confident | 162 Ų | 162 | 100.1 Ų | 100.1 | 64% | 0.635 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 118.7 | -174.8 | -176.3 | -101.2 | 0 | 0 | 0 | 111 | R78 I91 T95 | R78-Y93 PolarHBondContact NH2-OH 3.21Å; R78-Y93 VanDerWaalsContact NH2-OH 3.07Å; I91-Y93 PolarHBondContact O-N 2.99Å; Y93-T95 PolarHBondContact O-N 3.03Å |
| 94 | M | 65.1 | Low | 72 | Confident | 36 Ų | 36 | 98.9 Ų | 98.9 | 18% | 0.177 | 48% | 0.477 | C | S | . | . | trans | -62 | 104.4 | -178.2 | -76.8 | -76.7 | 162.4 | 0 | 0 | 109.5 | R78 K81 P92 R98 | R78-M94 HydrophobicContact CG-CB 4.33Å; R78-M94 PolarHBondContact NE-O 2.86Å; R78-M94 VanDerWaalsContact NE-O 3.11Å; R78-M94 PolarHBondContact NH2-O 3.14Å; K81-M94 HydrophobicContact CD-CE 4.42Å; P92-M94 PolarHBondContact O-N 3.4Å; P92-M94 VanDerWaalsContact O-N 3.17Å; M94-R98 WeakPolarHBondContact SD-CD 3.3Å; M94-R98 HydrophobicContact SD-CG 4.4Å | ||
| 95 | T | 78.8 | Confident | 73.2 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | trans | -61.2 | 142.1 | -177.7 | 59 | 0 | 0 | 0 | 0 | 110.5 | Y93 W97 R98 V99 | Y93-T95 PolarHBondContact O-N 3.03Å; T95-W97 PolarHBondContact O-N 3.21Å; T95-W97 VanDerWaalsContact O-N 3.12Å; T95-R98 WeakPolarHBondContact O-CB 3.41Å; T95-R98 PolarHBondContact O-N 3.41Å; T95-V99 PolarHBondContact O-N 3.4Å | ||
| 96 | S | 80.8 | Confident | 74.8 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.6 | -32.3 | -178.5 | -48.4 | 0 | 0 | 0 | 0 | 112.1 | V99 L100 | S96-V99 WeakPolarHBondContact O-CB 3.47Å; S96-V99 PolarHBondContact O-N 2.87Å; S96-L100 PolarHBondContact O-N 3.32Å |
| 97 | W | 84.4 | Confident | 76.5 | Confident | 170 Ų | 170 | 90.2 Ų | 90.2 | 64% | 0.644 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.8 | -31.7 | 174.9 | -168.3 | 64.6 | 0 | 0 | 0 | 114 | T95 V99 L100 R101 | T95-W97 PolarHBondContact O-N 3.21Å; T95-W97 VanDerWaalsContact O-N 3.12Å; W97-V99 VanDerWaalsContact C-N 3.35Å; W97-L100 PolarHBondContact O-N 2.77Å; W97-R101 WeakPolarHBondContact O-CB 3.49Å; W97-R101 PolarHBondContact O-N 3.14Å |
| 98 | R | 88.3 | Confident | 78.4 | Confident | 132 Ų | 132 | 89.6 Ų | 89.6 | 50% | 0.498 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.9 | -33.5 | 171 | -178.8 | 176.1 | -83.1 | -178.9 | -5.4 | 111.5 | M94 T95 R101 L102 | M94-R98 WeakPolarHBondContact SD-CD 3.3Å; M94-R98 HydrophobicContact SD-CG 4.4Å; T95-R98 WeakPolarHBondContact O-CB 3.41Å; T95-R98 PolarHBondContact O-N 3.41Å; R98-R101 PolarHBondContact O-N 3.1Å; R98-L102 WeakPolarHBondContact O-CG 3.34Å; R98-L102 PolarHBondContact O-N 3.31Å; R98-L102 VanDerWaalsContact O-N 3.14Å |
| 99 | V | 89.3 | Confident | 80.7 | Confident | 7 Ų | 7 | 91.8 Ų | 91.8 | 4% | 0.042 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | L27 L74 R78 T95 S96 W97 R101 L102 L103 | L27-V99 HydrophobicContact CD1-CG1 4.38Å; L27-V99 HydrophobicContact CD2-CB 4.42Å; L27-V99 HydrophobicContact CD2-CG1 4.02Å; L74-V99 HydrophobicContact CB-CG1 3.91Å; R78-V99 HydrophobicContact CG-CG2 4.41Å; T95-V99 PolarHBondContact O-N 3.4Å; S96-V99 WeakPolarHBondContact O-CB 3.47Å; S96-V99 PolarHBondContact O-N 2.87Å; W97-V99 VanDerWaalsContact C-N 3.35Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.29Å; V99-L102 WeakPolarHBondContact O-CB 3.36Å; V99-L102 PolarHBondContact O-N 3.42Å; V99-L102 VanDerWaalsContact O-N 3.15Å; V99-L103 PolarHBondContact O-N 3.05Å |
| 100 | L | 89.8 | Confident | 83 | Confident | 53 Ų | 53 | 84.9 Ų | 84.9 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 174.3 | -171.9 | 68.8 | 0 | 0 | 0 | 112.3 | V26 S96 W97 L102 L103 A104 | V26-L100 HydrophobicContact CG1-CD1 4.35Å; V26-L100 HydrophobicContact CG1-CD2 3.93Å; S96-L100 PolarHBondContact O-N 3.32Å; W97-L100 PolarHBondContact O-N 2.77Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L100-L103 HydrophobicContact CD1-CD2 4.18Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 2.94Å; L100-A104 PolarHBondContact O-N 3.04Å |
| 101 | R | 93.1 | Very high | 85.2 | Confident | 136 Ų | 136 | 74.9 Ų | 74.9 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 173.5 | -166.2 | -170.5 | -62 | -168 | -2.6 | 112.2 | W97 R98 V99 L103 A104 I105 | W97-R101 WeakPolarHBondContact O-CB 3.49Å; W97-R101 PolarHBondContact O-N 3.14Å; R98-R101 PolarHBondContact O-N 3.1Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.29Å; R101-L103 VanDerWaalsContact C-N 3.35Å; R101-A104 PolarHBondContact O-N 2.84Å; R101-I105 WeakPolarHBondContact O-CG1 3.33Å; R101-I105 PolarHBondContact O-N 2.98Å |
| 102 | L | 93.2 | Very high | 87.2 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 173.5 | -70.3 | 167.9 | 0 | 0 | 0 | 111.5 | L74 R98 V99 L100 I105 I106 | L74-L102 HydrophobicContact CD1-CB 4.03Å; L74-L102 HydrophobicContact CD2-CB 3.85Å; L74-L102 HydrophobicContact CD2-CD1 4.31Å; R98-L102 WeakPolarHBondContact O-CG 3.34Å; R98-L102 PolarHBondContact O-N 3.31Å; R98-L102 VanDerWaalsContact O-N 3.14Å; V99-L102 WeakPolarHBondContact O-CB 3.36Å; V99-L102 PolarHBondContact O-N 3.42Å; V99-L102 VanDerWaalsContact O-N 3.15Å; L100-L102 VanDerWaalsContact C-N 3.35Å; L102-I105 PolarHBondContact O-N 3.33Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.64Å; L102-I106 VanDerWaalsContact O-N 3.12Å |
| 103 | L | 94.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -47.9 | 172.3 | -175.2 | 74.5 | 0 | 0 | 0 | 110.9 | A30 T71 L74 V99 L100 R101 I105 I106 L107 | A30-L103 HydrophobicContact CB-CD2 4.3Å; T71-L103 HydrophobicContact CG2-CD1 3.73Å; T71-L103 HydrophobicContact CG2-CD2 3.45Å; T71-L103 VanDerWaalsContact CG2-CD2 3.45Å; T71-L103 HydrophobicContact CG2-CG 4.17Å; L74-L103 HydrophobicContact CD1-CB 3.77Å; L74-L103 HydrophobicContact CD1-CD1 4.14Å; L74-L103 VanDerWaalsContact CD1-N 3.32Å; V99-L103 PolarHBondContact O-N 3.05Å; L100-L103 HydrophobicContact CD1-CD2 4.18Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 2.94Å; R101-L103 VanDerWaalsContact C-N 3.35Å; L103-I105 PolarHBondContact O-N 3.11Å; L103-I106 WeakPolarHBondContact O-CB 3.47Å; L103-I106 PolarHBondContact O-N 3.38Å; L103-L107 HydrophobicContact CD2-CD1 4.26Å; L103-L107 HydrophobicContact CG-CD1 3.99Å; L103-L107 HydrophobicContact CG-CG 4.31Å; L103-L107 WeakPolarHBondContact O-CG 3.41Å; L103-L107 PolarHBondContact O-N 3.03Å |
| 104 | A | 95 | Very high | 90.8 | Very high | 44 Ų | 44 | 70.4 Ų | 70.4 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -35.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 R101 L107 L108 | L100-A104 PolarHBondContact O-N 3.04Å; R101-A104 PolarHBondContact O-N 2.84Å; A104-L107 PolarHBondContact O-N 3.3Å; A104-L108 WeakPolarHBondContact O-CB 3.22Å; A104-L108 VanDerWaalsContact O-CG 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 2.9Å |
| 105 | I | 96.4 | Very high | 92.2 | Very high | 83 Ų | 83 | 72.4 Ų | 72.4 | 43% | 0.426 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 173.7 | -68.3 | 162.3 | 0 | 0 | 0 | 111.4 | R101 L102 L103 L107 L108 I109 | R101-I105 WeakPolarHBondContact O-CG1 3.33Å; R101-I105 PolarHBondContact O-N 2.98Å; L102-I105 PolarHBondContact O-N 3.33Å; L103-I105 PolarHBondContact O-N 3.11Å; I105-L107 VanDerWaalsContact C-N 3.34Å; I105-L107 PolarHBondContact O-N 2.82Å; I105-L108 PolarHBondContact O-N 2.94Å; I105-I109 HydrophobicContact CG2-CD1 4.03Å; I105-I109 WeakPolarHBondContact O-CG1 3.16Å; I105-I109 PolarHBondContact O-N 2.67Å |
| 106 | I | 95.3 | Very high | 92.9 | Very high | 38 Ų | 38 | 70.6 Ų | 70.6 | 20% | 0.195 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.6 | -64.6 | 172.1 | 0 | 0 | 0 | 110.3 | L74 L102 L103 L108 I109 V110 | L74-I106 HydrophobicContact CD1-CD1 3.9Å; L74-I106 HydrophobicContact CD2-CD1 4.31Å; L74-I106 HydrophobicContact CG-CD1 4.09Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.64Å; L102-I106 VanDerWaalsContact O-N 3.12Å; L103-I106 WeakPolarHBondContact O-CB 3.47Å; L103-I106 PolarHBondContact O-N 3.38Å; I106-L108 PolarHBondContact O-N 2.74Å; I106-I109 PolarHBondContact O-N 3.07Å; I106-V110 WeakPolarHBondContact O-CG2 3.22Å; I106-V110 PolarHBondContact O-N 2.85Å |
| 107 | L | 96.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 179.1 | -63.3 | 174.4 | 0 | 0 | 0 | 112.4 | A66 T67 L103 A104 I105 V110 C111 | A66-L107 HydrophobicContact CB-CD2 3.8Å; T67-L107 HydrophobicContact CG2-CD1 3.77Å; T67-L107 HydrophobicContact CG2-CD2 3.64Å; T67-L107 HydrophobicContact CG2-CG 4.35Å; L103-L107 HydrophobicContact CD2-CD1 4.26Å; L103-L107 HydrophobicContact CG-CD1 3.99Å; L103-L107 HydrophobicContact CG-CG 4.31Å; L103-L107 WeakPolarHBondContact O-CG 3.41Å; L103-L107 PolarHBondContact O-N 3.03Å; A104-L107 PolarHBondContact O-N 3.3Å; I105-L107 VanDerWaalsContact C-N 3.34Å; I105-L107 PolarHBondContact O-N 2.82Å; L107-V110 PolarHBondContact O-N 3.45Å; L107-C111 WeakPolarHBondContact O-CB 3.43Å; L107-C111 PolarHBondContact O-N 3.32Å; L107-C111 PolarHBondContact O-SG 2.88Å |
| 108 | L | 96.9 | Very high | 93.7 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 63% | 0.634 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.3 | -38.9 | 175.1 | -77.4 | 168.2 | 0 | 0 | 0 | 112.3 | A104 I105 I106 C111 W112 | A104-L108 WeakPolarHBondContact O-CB 3.22Å; A104-L108 VanDerWaalsContact O-CG 3.22Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 2.9Å; I105-L108 PolarHBondContact O-N 2.94Å; I106-L108 PolarHBondContact O-N 2.74Å; L108-C111 PolarHBondContact O-N 3.06Å; L108-W112 VanDerWaalsContact O-CB 3.31Å; L108-W112 WeakPolarHBondContact O-CB 3.43Å; L108-W112 PolarHBondContact O-N 3.23Å |
| 109 | I | 95.6 | Very high | 93.7 | Very high | 107 Ų | 107 | 57.9 Ų | 57.9 | 55% | 0.549 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.1 | -66.7 | 162.4 | 0 | 0 | 0 | 110.3 | I105 I106 W112 F113 | I105-I109 HydrophobicContact CG2-CD1 4.03Å; I105-I109 WeakPolarHBondContact O-CG1 3.16Å; I105-I109 PolarHBondContact O-N 2.67Å; I106-I109 PolarHBondContact O-N 3.07Å; I109-W112 PolarHBondContact O-N 2.97Å; I109-F113 WeakPolarHBondContact O-CB 3.47Å; I109-F113 PolarHBondContact O-N 3.12Å |
| 110 | V | 95.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | L62 L63 A66 I106 L107 F113 L114 | L62-V110 HydrophobicContact CD2-CG1 3.66Å; L62-V110 HydrophobicContact CG-CG1 3.75Å; L63-V110 HydrophobicContact CD2-CG1 3.8Å; A66-V110 HydrophobicContact CB-CG1 4.33Å; A66-V110 HydrophobicContact CB-CG2 3.99Å; I106-V110 WeakPolarHBondContact O-CG2 3.22Å; I106-V110 PolarHBondContact O-N 2.85Å; L107-V110 PolarHBondContact O-N 3.45Å; V110-F113 PolarHBondContact O-N 3.27Å; V110-L114 HydrophobicContact CG1-CD1 4.05Å; V110-L114 WeakPolarHBondContact O-CB 3.5Å; V110-L114 WeakPolarHBondContact O-CG 3.39Å; V110-L114 PolarHBondContact O-N 3.13Å |
| 111 | C | 95.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 27% | 0.27 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 173.7 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | L107 L108 F113 L114 V115 | L107-C111 WeakPolarHBondContact O-CB 3.43Å; L107-C111 PolarHBondContact O-N 3.32Å; L107-C111 PolarHBondContact O-SG 2.88Å; L108-C111 PolarHBondContact O-N 3.06Å; C111-F113 PolarHBondContact O-N 3.37Å; C111-L114 PolarHBondContact O-N 2.88Å; C111-V115 WeakPolarHBondContact O-CG2 3.39Å; C111-V115 PolarHBondContact O-N 3.06Å |
| 112 | W | 96.1 | Very high | 92.8 | Very high | 190 Ų | 190 | 53 Ų | 53 | 72% | 0.72 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 179.1 | 176.7 | 81.2 | 0 | 0 | 0 | 111.7 | L108 I109 V115 A116 | L108-W112 VanDerWaalsContact O-CB 3.31Å; L108-W112 WeakPolarHBondContact O-CB 3.43Å; L108-W112 PolarHBondContact O-N 3.23Å; I109-W112 PolarHBondContact O-N 2.97Å; W112-V115 PolarHBondContact O-N 2.69Å; W112-A116 WeakPolarHBondContact O-CB 3.35Å; W112-A116 PolarHBondContact O-N 3.29Å |
| 113 | F | 93.5 | Very high | 92.5 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 172.3 | 176.4 | -80.9 | 0 | 0 | 0 | 111.7 | I109 V110 C111 V115 A116 W117 W151 M155 | I109-F113 WeakPolarHBondContact O-CB 3.47Å; I109-F113 PolarHBondContact O-N 3.12Å; V110-F113 PolarHBondContact O-N 3.27Å; C111-F113 PolarHBondContact O-N 3.37Å; F113-V115 PolarHBondContact O-N 3.33Å; F113-A116 PolarHBondContact O-N 3.06Å; F113-W117 HydrophobicContact CE1-CB 4.31Å; F113-W117 PolarHBondContact O-N 3.15Å; F113-W151 HydrophobicContact CE2-CZ3 4.07Å; F113-W151 AromaticContact CZ-CE3 3.88Å; F113-W151 HydrophobicContact CZ-CE3 3.88Å; F113-W151 AromaticContact CZ-CZ3 3.85Å; F113-W151 HydrophobicContact CZ-CZ3 3.85Å; F113-M155 HydrophobicContact CD1-CE 4.02Å; F113-M155 HydrophobicContact CD1-SD 4.17Å; F113-M155 HydrophobicContact CE1-CE 3.62Å; F113-M155 HydrophobicContact CE1-SD 3.2Å; F113-M155 WeakPolarHBondContact CE1-SD 3.5Å; F113-M155 HydrophobicContact CZ-CE 4.18Å; F113-M155 HydrophobicContact CZ-SD 3.5Å; F113-M155 WeakPolarHBondContact CZ-SD 3.27Å |
| 114 | L | 93.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 179 | -76.8 | 167.9 | 0 | 0 | 0 | 112.2 | W59 L62 L63 V110 C111 T118 | W59-L114 HydrophobicContact CB-CD1 4.42Å; W59-L114 HydrophobicContact CD2-CB 3.91Å; W59-L114 HydrophobicContact CD2-CD1 3.92Å; W59-L114 HydrophobicContact CD2-CG 4.35Å; W59-L114 HydrophobicContact CE3-CB 4.26Å; W59-L114 HydrophobicContact CE3-CD1 3.92Å; W59-L114 HydrophobicContact CG-CB 4.44Å; W59-L114 HydrophobicContact CG-CD1 4.13Å; W59-L114 HydrophobicContact CG-CD2 4.2Å; W59-L114 HydrophobicContact CH2-CB 4.19Å; W59-L114 HydrophobicContact CZ2-CB 3.81Å; W59-L114 HydrophobicContact CZ3-CB 4.38Å; L62-L114 HydrophobicContact CB-CD1 4.47Å; L62-L114 HydrophobicContact CD2-CD1 4.01Å; L62-L114 HydrophobicContact CD2-CD2 3.78Å; L62-L114 HydrophobicContact CD2-CG 3.8Å; L63-L114 HydrophobicContact CD1-CD1 4.33Å; L63-L114 HydrophobicContact CD2-CD1 4.3Å; L63-L114 HydrophobicContact CG-CD1 3.96Å; V110-L114 HydrophobicContact CG1-CD1 4.05Å; V110-L114 WeakPolarHBondContact O-CB 3.5Å; V110-L114 WeakPolarHBondContact O-CG 3.39Å; V110-L114 PolarHBondContact O-N 3.13Å; C111-L114 PolarHBondContact O-N 2.88Å; L114-T118 VanDerWaalsContact O-CB 3.25Å; L114-T118 WeakPolarHBondContact O-CB 2.97Å; L114-T118 PolarHBondContact O-N 3.45Å; L114-T118 PolarHBondContact O-OG1 3.39Å |
| 115 | V | 94.3 | Very high | 90.4 | Very high | 78 Ų | 78 | 61 Ų | 61 | 47% | 0.473 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 172.9 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | W59 C111 W112 F113 T118 S119 | W59-V115 HydrophobicContact CH2-CG2 3.59Å; W59-V115 HydrophobicContact CZ2-CG2 3.87Å; C111-V115 WeakPolarHBondContact O-CG2 3.39Å; C111-V115 PolarHBondContact O-N 3.06Å; W112-V115 PolarHBondContact O-N 2.69Å; F113-V115 PolarHBondContact O-N 3.33Å; V115-T118 PolarHBondContact O-N 3.21Å; V115-S119 VanDerWaalsContact O-CB 3.32Å; V115-S119 WeakPolarHBondContact O-CB 3.45Å; V115-S119 PolarHBondContact O-N 2.96Å; V115-S119 PolarHBondContact O-OG 3.02Å |
| 116 | A | 92.3 | Very high | 89 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -50.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | W112 F113 T118 S119 A120 | W112-A116 WeakPolarHBondContact O-CB 3.35Å; W112-A116 PolarHBondContact O-N 3.29Å; F113-A116 PolarHBondContact O-N 3.06Å; A116-T118 PolarHBondContact O-N 3.25Å; A116-S119 PolarHBondContact O-N 3.11Å; A116-S119 PolarHBondContact O-OG 3.49Å; A116-A120 PolarHBondContact O-N 3.39Å |
| 117 | W | 90.9 | Very high | 87.6 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 3% | 0.03 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 174.6 | 172.4 | 73.5 | 0 | 0 | 0 | 112.4 | I55 R58 F113 S119 A120 V121 W151 | I55-W117 HydrophobicContact CB-CZ3 4.41Å; I55-W117 HydrophobicContact CG1-CH2 3.99Å; I55-W117 HydrophobicContact CG1-CZ3 4.13Å; I55-W117 HydrophobicContact CG2-CZ3 4.23Å; R58-W117 HydrophobicContact CB-CZ3 4.45Å; F113-W117 HydrophobicContact CE1-CB 4.31Å; F113-W117 PolarHBondContact O-N 3.15Å; W117-S119 VanDerWaalsContact C-N 3.27Å; W117-S119 PolarHBondContact O-N 3.32Å; W117-A120 PolarHBondContact O-N 3.24Å; W117-V121 HydrophobicContact CD2-CG2 4.43Å; W117-V121 HydrophobicContact CH2-CG2 4.41Å; W117-V121 HydrophobicContact CZ2-CG2 3.72Å; W117-V121 PolarHBondContact O-N 3.3Å; W117-W151 AromaticContact CD1-CD1 3.7Å; W117-W151 AromaticContact CD1-CD2 3.45Å; W117-W151 VanDerWaalsContact CD1-CD2 3.45Å; W117-W151 AromaticContact CD1-CE2 3.85Å; W117-W151 AromaticContact CD1-CE3 3.94Å; W117-W151 AromaticContact CD1-CG 3.35Å; W117-W151 AromaticContact CD1-NE1 3.97Å; W117-W151 AromaticContact NE1-CD1 3.55Å; W117-W151 AromaticContact NE1-CG 3.41Å |
| 118 | T | 91 | Very high | 86 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | -179.9 | -54 | 0 | 0 | 0 | 0 | 111 | I55 W59 L114 V115 A116 V121 C122 | I55-T118 HydrophobicContact CD1-CG2 4.29Å; I55-T118 HydrophobicContact CG2-CG2 3.92Å; W59-T118 PolarHBondContact NE1-OG1 3.48Å; L114-T118 VanDerWaalsContact O-CB 3.25Å; L114-T118 WeakPolarHBondContact O-CB 2.97Å; L114-T118 PolarHBondContact O-N 3.45Å; L114-T118 PolarHBondContact O-OG1 3.39Å; V115-T118 PolarHBondContact O-N 3.21Å; A116-T118 PolarHBondContact O-N 3.25Å; T118-V121 PolarHBondContact O-N 3.46Å; T118-C122 VanDerWaalsContact O-CB 3.29Å; T118-C122 WeakPolarHBondContact O-CB 3.07Å; T118-C122 PolarHBondContact O-N 2.74Å; T118-C122 PolarHBondContact O-SG 3.09Å |
| 119 | S | 89.9 | Confident | 84.3 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 177.2 | 77 | 0 | 0 | 0 | 0 | 112.2 | V115 A116 W117 V121 C122 Q123 | V115-S119 VanDerWaalsContact O-CB 3.32Å; V115-S119 WeakPolarHBondContact O-CB 3.45Å; V115-S119 PolarHBondContact O-N 2.96Å; V115-S119 PolarHBondContact O-OG 3.02Å; A116-S119 PolarHBondContact O-N 3.11Å; A116-S119 PolarHBondContact O-OG 3.49Å; W117-S119 VanDerWaalsContact C-N 3.27Å; W117-S119 PolarHBondContact O-N 3.32Å; S119-V121 PolarHBondContact O-N 2.94Å; S119-C122 CarbonylContact O-C 3.59Å; S119-C122 PolarHBondContact O-N 3.07Å; S119-C122 VanDerWaalsContact O-N 3.1Å; S119-Q123 VanDerWaalsContact O-CG 3.3Å; S119-Q123 WeakPolarHBondContact O-CG 3.21Å; S119-Q123 PolarHBondContact O-N 3.21Å |
| 120 | A | 87.1 | Confident | 82.8 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A116 W117 N124 | A116-A120 PolarHBondContact O-N 3.39Å; W117-A120 PolarHBondContact O-N 3.24Å; A120-N124 PolarHBondContact O-ND2 3.08Å |
| 121 | V | 84 | Confident | 81.9 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 170.7 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | W117 T118 S119 L131 | W117-V121 HydrophobicContact CD2-CG2 4.43Å; W117-V121 HydrophobicContact CH2-CG2 4.41Å; W117-V121 HydrophobicContact CZ2-CG2 3.72Å; W117-V121 PolarHBondContact O-N 3.3Å; T118-V121 PolarHBondContact O-N 3.46Å; S119-V121 PolarHBondContact O-N 2.94Å; V121-L131 HydrophobicContact CG1-CD1 4.3Å; V121-L131 HydrophobicContact CG1-CD2 4.36Å |
| 122 | C | 82.4 | Confident | 81.1 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.1 | -26.6 | -179.9 | -72.2 | 0 | 0 | 0 | 0 | 114.2 | T118 S119 K128 | T118-C122 VanDerWaalsContact O-CB 3.29Å; T118-C122 WeakPolarHBondContact O-CB 3.07Å; T118-C122 PolarHBondContact O-N 2.74Å; T118-C122 PolarHBondContact O-SG 3.09Å; S119-C122 CarbonylContact O-C 3.59Å; S119-C122 PolarHBondContact O-N 3.07Å; S119-C122 VanDerWaalsContact O-N 3.1Å; C122-K128 WeakPolarHBondContact O-CE 3.34Å; C122-K128 PolarHBondContact O-NZ 3.26Å |
| 123 | Q | 85 | Confident | 79.9 | Confident | 146 Ų | 146 | 60.3 Ų | 60.3 | 68% | 0.682 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.6 | -28.6 | 176.8 | -75.9 | 169.4 | -3.8 | 0 | 0 | 113.4 | S119 P125 | S119-Q123 VanDerWaalsContact O-CG 3.3Å; S119-Q123 WeakPolarHBondContact O-CG 3.21Å; S119-Q123 PolarHBondContact O-N 3.21Å; Q123-P125 VanDerWaalsContact O-CD 3.3Å; Q123-P125 WeakPolarHBondContact O-CD 3.23Å |
| 124 | N | 76.8 | Confident | 79.1 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 35% | 0.353 | 34% | 0.343 | S | S | . | . | trans | -101.6 | 98.5 | -176.2 | -71.3 | -94.3 | 0 | 0 | 0 | 109.8 | A120 D126 R127 K128 | A120-N124 PolarHBondContact O-ND2 3.08Å; N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 PolarHBondContact O-N 2.9Å; N124-R127 HydrophobicContact CB-CB 3.77Å; N124-R127 HydrophobicContact CB-CG 3.79Å; N124-R127 PolarHBondContact O-N 2.92Å; N124-R127 VanDerWaalsContact O-N 3.14Å; N124-K128 PolarHBondContact O-N 3.1Å | ||
| 125 | P | 69.3 | Low | 78 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -37.6 | -177.3 | 24.8 | -33.5 | 0 | 0 | 0 | 112.4 | Q123 R127 K128 L129 | Q123-P125 VanDerWaalsContact O-CD 3.3Å; Q123-P125 WeakPolarHBondContact O-CD 3.23Å; P125-R127 VanDerWaalsContact C-N 3.28Å; P125-R127 PolarHBondContact O-N 2.84Å; P125-K128 WeakPolarHBondContact O-CA 3.29Å; P125-K128 VanDerWaalsContact O-CB 3.27Å; P125-K128 WeakPolarHBondContact O-CB 3.36Å; P125-K128 PolarHBondContact O-N 3Å; P125-L129 PolarHBondContact O-N 3.24Å |
| 126 | D | 67.3 | Low | 77 | Confident | 123 Ų | 123 | 63.7 Ų | 63.7 | 66% | 0.658 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.1 | -33.8 | 179.6 | -40.7 | -67.3 | 0 | 0 | 0 | 111.6 | N124 K128 L129 A130 | N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 PolarHBondContact O-N 2.9Å; D126-K128 VanDerWaalsContact C-N 3.29Å; D126-K128 PolarHBondContact O-N 3.02Å; D126-L129 PolarHBondContact O-N 2.88Å; D126-A130 PolarHBondContact O-N 3.49Å; D126-A130 VanDerWaalsContact O-N 3.07Å |
| 127 | R | 67.1 | Low | 76 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.4 | -17.5 | 171.8 | -71.6 | -175.5 | 169.8 | -106.9 | 2 | 113.7 | N124 P125 L131 D149 | N124-R127 HydrophobicContact CB-CB 3.77Å; N124-R127 HydrophobicContact CB-CG 3.79Å; N124-R127 PolarHBondContact O-N 2.92Å; N124-R127 VanDerWaalsContact O-N 3.14Å; P125-R127 VanDerWaalsContact C-N 3.28Å; P125-R127 PolarHBondContact O-N 2.84Å; R127-L131 PolarHBondContact O-N 3.28Å; R127-D149 IonicContact NH1-OD2 3.33Å |
| 128 | K | 61.8 | Low | 74.9 | Confident | 77 Ų | 77 | 68.3 Ų | 68.3 | 34% | 0.335 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.8 | -39.4 | 172.5 | -61.7 | 174.1 | -176.5 | 160.3 | 0 | 111.1 | C122 N124 P125 D126 L131 | C122-K128 WeakPolarHBondContact O-CE 3.34Å; C122-K128 PolarHBondContact O-NZ 3.26Å; N124-K128 PolarHBondContact O-N 3.1Å; P125-K128 WeakPolarHBondContact O-CA 3.29Å; P125-K128 VanDerWaalsContact O-CB 3.27Å; P125-K128 WeakPolarHBondContact O-CB 3.36Å; P125-K128 PolarHBondContact O-N 3Å; D126-K128 VanDerWaalsContact C-N 3.29Å; D126-K128 PolarHBondContact O-N 3.02Å; K128-L131 WeakPolarHBondContact O-CB 3.46Å; K128-L131 PolarHBondContact O-N 2.85Å |
| 129 | L | 60.8 | Low | 74.2 | Confident | 139 Ų | 139 | 73.9 Ų | 73.9 | 73% | 0.728 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.5 | -49.4 | 173.3 | -84.6 | 66.7 | 0 | 0 | 0 | 109.6 | P125 D126 L131 I132 | P125-L129 PolarHBondContact O-N 3.24Å; D126-L129 PolarHBondContact O-N 2.88Å; L129-L131 PolarHBondContact O-N 3.46Å; L129-I132 PolarHBondContact O-N 3.4Å |
| 130 | A | 65.8 | Low | 73.3 | Confident | 55 Ų | 55 | 74 Ų | 74 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 8.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D126 | D126-A130 PolarHBondContact O-N 3.49Å; D126-A130 VanDerWaalsContact O-N 3.07Å |
| 131 | L | 76 | Confident | 72.7 | Confident | 3 Ų | 3 | 75.8 Ų | 75.8 | 2% | 0.016 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -16.2 | 173 | -150.2 | 73.2 | 0 | 0 | 0 | 112.7 | V51 C54 I55 V121 R127 K128 L129 L147 | V51-L131 HydrophobicContact CG1-CD2 3.87Å; C54-L131 HydrophobicContact CB-CD2 3.97Å; C54-L131 HydrophobicContact CB-CG 4.29Å; I55-L131 HydrophobicContact CG1-CD2 4.08Å; V121-L131 HydrophobicContact CG1-CD1 4.3Å; V121-L131 HydrophobicContact CG1-CD2 4.36Å; R127-L131 PolarHBondContact O-N 3.28Å; K128-L131 WeakPolarHBondContact O-CB 3.46Å; K128-L131 PolarHBondContact O-N 2.85Å; L129-L131 PolarHBondContact O-N 3.46Å; L131-L147 PolarHBondContact O-N 3.04Å |
| 132 | I | 78.9 | Confident | 72.4 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 29% | 0.292 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.9 | 174.3 | -55.4 | 176.2 | 0 | 0 | 0 | 106.9 | P49 V51 L129 M145 | P49-I132 HydrophobicContact CB-CG2 4.45Å; P49-I132 HydrophobicContact CG-CG2 4.37Å; V51-I132 HydrophobicContact CG2-CD1 4.29Å; L129-I132 PolarHBondContact O-N 3.4Å; I132-M145 CarbonylContact C-O 3.57Å; I132-M145 WeakPolarHBondContact CA-O 3.41Å |
| 133 | D | 71 | Confident | 72 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 32% | 0.321 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 153.4 | 171.5 | -160.8 | 0.6 | 0 | 0 | 0 | 109.5 | G144 M145 L147 | D133-G144 CarbonylContact O-C 3.57Å; D133-G144 WeakPolarHBondContact O-CA 3.41Å; D133-M145 HydrophobicContact CB-CG 3.81Å; D133-M145 PolarHBondContact N-O 2.94Å; D133-M145 PolarHBondContact O-N 3.37Å; D133-L147 HydrophobicContact CB-CB 4.08Å; D133-L147 HydrophobicContact CB-CD1 4.06Å; D133-L147 HydrophobicContact CB-CG 4.45Å |
| 134 | V | 75.6 | Confident | 71.6 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 92.5 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | Q142 F143 | V134-Q142 HydrophobicContact CG1-CB 3.88Å; V134-Q142 HydrophobicContact CG1-CG 4.03Å; V134-F143 CarbonylContact C-O 3.59Å; V134-F143 WeakPolarHBondContact CA-O 3.27Å |
| 135 | G | 71.3 | Confident | 71.7 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 13% | 0.134 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 151.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q142 F143 | G135-Q142 WeakPolarHBondContact O-CA 3.25Å; G135-F143 VanDerWaalsContact C-CE1 3.5Å; G135-F143 PolarHBondContact N-O 3.1Å; G135-F143 WeakPolarHBondContact O-CD1 3.28Å; G135-F143 PolarHBondContact O-N 2.72Å |
| 136 | H | 72.9 | Confident | 72.5 | Confident | 124 Ų | 124 | 71.5 Ų | 71.5 | 57% | 0.574 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.4 | 173.6 | -77 | -136.7 | 0 | 0 | 0 | 108.7 | S141 Q142 | H136-S141 CarbonylContact C-O 3.56Å; H136-S141 WeakPolarHBondContact CA-O 3.19Å; H136-Q142 PolarHBondContact CE1-NE2 3.15Å; H136-Q142 PolarHBondContact NE2-NE2 3.17Å |
| 137 | T | 71.8 | Confident | 73.2 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | trans | -72 | 159.1 | 169.7 | 72.8 | 0 | 0 | 0 | 0 | 110.2 | D139 G140 S141 F143 H212 | T137-D139 PolarHBondContact O-N 2.79Å; T137-D139 VanDerWaalsContact O-N 3.16Å; T137-D139 PolarHBondContact OG1-N 3.21Å; T137-G140 PolarHBondContact O-N 2.92Å; T137-G140 PolarHBondContact OG1-N 3.04Å; T137-S141 PolarHBondContact N-O 3.24Å; T137-S141 WeakPolarHBondContact OG1-CB 3.43Å; T137-S141 PolarHBondContact OG1-N 2.95Å; T137-F143 HydrophobicContact CG2-CD1 3.72Å; T137-F143 HydrophobicContact CG2-CE1 3.95Å; T137-H212 VanDerWaalsContact CG2-NE2 3.31Å; T137-H212 WeakPolarHBondContact CG2-NE2 3.17Å | ||
| 138 | P | 68.4 | Low | 73.7 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 82% | 0.818 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.4 | 169.2 | 23.1 | -34.7 | 0 | 0 | 0 | 113 | G140 | P138-G140 PolarHBondContact O-N 3.41Š|
| 139 | D | 75.4 | Confident | 74.6 | Confident | 139 Ų | 139 | 62.8 Ų | 62.8 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 8 | 174.6 | -39.8 | -80 | 0 | 0 | 0 | 113.6 | T137 S141 | T137-D139 PolarHBondContact O-N 2.79Å; T137-D139 VanDerWaalsContact O-N 3.16Å; T137-D139 PolarHBondContact OG1-N 3.21Å; D139-S141 VanDerWaalsContact C-N 3.34Å; D139-S141 PolarHBondContact O-N 2.68Å |
| 140 | G | 71.8 | Confident | 75.8 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 54% | 0.536 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 78.3 | 6.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T137 P138 | T137-G140 PolarHBondContact O-N 2.92Å; T137-G140 PolarHBondContact OG1-N 3.04Å; P138-G140 PolarHBondContact O-N 3.41Å |
| 141 | S | 74.5 | Confident | 76.7 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 49% | 0.49 | 37% | 0.366 | S | S | . | . | trans | -80.3 | 137.9 | 178.3 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | H136 T137 D139 | H136-S141 CarbonylContact C-O 3.56Å; H136-S141 WeakPolarHBondContact CA-O 3.19Å; T137-S141 PolarHBondContact N-O 3.24Å; T137-S141 WeakPolarHBondContact OG1-CB 3.43Å; T137-S141 PolarHBondContact OG1-N 2.95Å; D139-S141 VanDerWaalsContact C-N 3.34Å; D139-S141 PolarHBondContact O-N 2.68Å | ||
| 142 | Q | 77.3 | Confident | 77.3 | Confident | 140 Ų | 140 | 68.1 Ų | 68.1 | 65% | 0.654 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134.4 | 177.5 | -70.6 | -173.3 | -37.4 | 0 | 0 | 111.6 | V134 G135 H136 | V134-Q142 HydrophobicContact CG1-CB 3.88Å; V134-Q142 HydrophobicContact CG1-CG 4.03Å; G135-Q142 WeakPolarHBondContact O-CA 3.25Å; H136-Q142 PolarHBondContact CE1-NE2 3.15Å; H136-Q142 PolarHBondContact NE2-NE2 3.17Å |
| 143 | F | 74.1 | Confident | 77.8 | Confident | 38 Ų | 38 | 72 Ų | 72 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 134.8 | 173.9 | 62 | -94.1 | 0 | 0 | 0 | 111.2 | V134 G135 T137 M145 P213 | V134-F143 CarbonylContact C-O 3.59Å; V134-F143 WeakPolarHBondContact CA-O 3.27Å; G135-F143 VanDerWaalsContact C-CE1 3.5Å; G135-F143 PolarHBondContact N-O 3.1Å; G135-F143 WeakPolarHBondContact O-CD1 3.28Å; G135-F143 PolarHBondContact O-N 2.72Å; T137-F143 HydrophobicContact CG2-CD1 3.72Å; T137-F143 HydrophobicContact CG2-CE1 3.95Å; F143-M145 HydrophobicContact CD2-SD 4.41Å; F143-M145 HydrophobicContact CE2-CE 4.08Å; F143-M145 HydrophobicContact CE2-SD 3.68Å; F143-P213 HydrophobicContact CB-CG 4.49Å; F143-P213 HydrophobicContact CD2-CB 4.35Å; F143-P213 HydrophobicContact CD2-CG 3.8Å; F143-P213 HydrophobicContact CE2-CG 4.1Å; F143-P213 HydrophobicContact CG-CG 4.03Å |
| 144 | G | 75.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 73.9 Ų | 73.9 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 141.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D133 | D133-G144 CarbonylContact O-C 3.57Å; D133-G144 WeakPolarHBondContact O-CA 3.41Å |
| 145 | M | 79.9 | Confident | 79.5 | Confident | 26 Ų | 26 | 72 Ų | 72 | 13% | 0.128 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.3 | 171.4 | 68 | -160 | -47.1 | 0 | 0 | 111.4 | I132 D133 F143 L147 M216 | I132-M145 CarbonylContact C-O 3.57Å; I132-M145 WeakPolarHBondContact CA-O 3.41Å; D133-M145 HydrophobicContact CB-CG 3.81Å; D133-M145 PolarHBondContact N-O 2.94Å; D133-M145 PolarHBondContact O-N 3.37Å; F143-M145 HydrophobicContact CD2-SD 4.41Å; F143-M145 HydrophobicContact CE2-CE 4.08Å; F143-M145 HydrophobicContact CE2-SD 3.68Å; M145-L147 PolarHBondContact O-N 2.82Å; M145-M216 HydrophobicContact CB-CE 4.41Å; M145-M216 HydrophobicContact CE-CE 3.43Å; M145-M216 VanDerWaalsContact CE-CE 3.43Å; M145-M216 HydrophobicContact CE-SD 4.3Å |
| 146 | C | 84.9 | Confident | 80.5 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 116.4 | 175.1 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | C54 | C54-C146 WeakPolarHBondContact CA-SG 3.49Å; C54-C146 HydrophobicContact CB-CB 3.79Å; C54-C146 WeakPolarHBondContact CB-SG 3.46Å; C54-C146 VanDerWaalsContact SG-CA 3.59Å; C54-C146 WeakPolarHBondContact SG-CB 3.5Å; C54-C146 CovalentContact SG-SG 2.04Å; C54-C146 PolarHBondContact SG-SG 3.15Å |
| 147 | L | 82.2 | Confident | 81.4 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | trans | -61.7 | 135.5 | -175 | -175.2 | 137.9 | 0 | 0 | 0 | 112.2 | R58 L131 D133 M145 D149 | R58-L147 PolarHBondContact NH2-O 3.05Å; L131-L147 PolarHBondContact O-N 3.04Å; D133-L147 HydrophobicContact CB-CB 4.08Å; D133-L147 HydrophobicContact CB-CD1 4.06Å; D133-L147 HydrophobicContact CB-CG 4.45Å; M145-L147 PolarHBondContact O-N 2.82Å; L147-D149 PolarHBondContact O-N 3.49Å | ||
| 148 | L | 78.3 | Confident | 82.4 | Confident | 53 Ų | 53 | 70 Ų | 70 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | trans | -71 | 107.5 | 170.3 | -94.8 | 74.3 | 0 | 0 | 0 | 109.9 | R204 F205 A208 | L148-R204 VanDerWaalsContact CD1-NH2 3.34Å; L148-R204 HydrophobicContact CD2-CG 4.15Å; L148-F205 HydrophobicContact CD2-CD1 3.83Å; L148-F205 HydrophobicContact CD2-CE1 4.11Å; L148-A208 HydrophobicContact CD1-CB 4.22Å; L148-A208 HydrophobicContact CD2-CB 3.84Å | ||
| 149 | D | 80.8 | Confident | 83.7 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | trans | -90.6 | 158.8 | 174.7 | -163 | -17.6 | 0 | 0 | 0 | 110 | R127 L147 W151 D152 | R127-D149 IonicContact NH1-OD2 3.33Å; L147-D149 PolarHBondContact O-N 3.49Å; D149-W151 HydrophobicContact CB-CB 4.46Å; D149-W151 PolarHBondContact O-N 2.95Å; D149-D152 WeakPolarHBondContact O-CB 3.33Å; D149-D152 PolarHBondContact O-N 3.49Å | ||
| 150 | R | 85.8 | Confident | 84.6 | Confident | 218 Ų | 218 | 62.2 Ų | 62.2 | 82% | 0.823 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -55.7 | -25.3 | 172 | -60.1 | 179.6 | -175.1 | 169.1 | 2.3 | 111.9 | Y153 M154 | R150-Y153 WeakPolarHBondContact O-CB 3.37Å; R150-Y153 PolarHBondContact O-N 3.36Å; R150-M154 PolarHBondContact O-N 3.29Å; R150-M154 VanDerWaalsContact O-N 3.12Å |
| 151 | W | 84.5 | Confident | 85.8 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 171 | -68.7 | 103.3 | 0 | 0 | 0 | 113.6 | F113 W117 D149 Y153 M154 M155 | F113-W151 HydrophobicContact CE2-CZ3 4.07Å; F113-W151 AromaticContact CZ-CE3 3.88Å; F113-W151 HydrophobicContact CZ-CE3 3.88Å; F113-W151 AromaticContact CZ-CZ3 3.85Å; F113-W151 HydrophobicContact CZ-CZ3 3.85Å; W117-W151 AromaticContact CD1-CD1 3.7Å; W117-W151 AromaticContact CD1-CD2 3.45Å; W117-W151 VanDerWaalsContact CD1-CD2 3.45Å; W117-W151 AromaticContact CD1-CE2 3.85Å; W117-W151 AromaticContact CD1-CE3 3.94Å; W117-W151 AromaticContact CD1-CG 3.35Å; W117-W151 AromaticContact CD1-NE1 3.97Å; W117-W151 AromaticContact NE1-CD1 3.55Å; W117-W151 AromaticContact NE1-CG 3.41Å; D149-W151 HydrophobicContact CB-CB 4.46Å; D149-W151 PolarHBondContact O-N 2.95Å; W151-Y153 VanDerWaalsContact C-N 3.3Å; W151-Y153 PolarHBondContact O-N 3.16Å; W151-M154 HydrophobicContact CD2-SD 4.4Å; W151-M154 HydrophobicContact CE3-CE 4.4Å; W151-M154 HydrophobicContact CE3-SD 3.8Å; W151-M154 HydrophobicContact CZ3-CE 4.09Å; W151-M154 HydrophobicContact CZ3-SD 3.96Å; W151-M154 WeakPolarHBondContact O-CB 3.42Å; W151-M154 PolarHBondContact O-N 3.04Å; W151-M155 VanDerWaalsContact O-CG 3.26Å; W151-M155 WeakPolarHBondContact O-CG 3.39Å; W151-M155 PolarHBondContact O-N 3.21Å |
| 152 | D | 87.8 | Confident | 86.8 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 174.2 | -72.6 | -26.5 | 0 | 0 | 0 | 111.5 | R58 D149 M155 A156 R204 F205 | R58-D152 IonicContact CZ-OD1 3.9Å; R58-D152 IonicContact CZ-OD2 3.25Å; R58-D152 IonicContact NE-OD1 3.58Å; R58-D152 PolarHBondContact NE-OD1 2.91Å; R58-D152 IonicContact NE-OD2 3.64Å; R58-D152 VanDerWaalsContact NH2-CG 3.29Å; R58-D152 IonicContact NH2-OD1 3.4Å; R58-D152 PolarHBondContact NH2-OD1 3.36Å; R58-D152 IonicContact NH2-OD2 2.73Å; R58-D152 PolarHBondContact NH2-OD2 2.91Å; D149-D152 WeakPolarHBondContact O-CB 3.33Å; D149-D152 PolarHBondContact O-N 3.49Å; D152-M155 PolarHBondContact O-N 3.45Å; D152-A156 PolarHBondContact O-N 2.9Å; D152-R204 IonicContact OD2-NH2 2.73Å; D152-R204 PolarHBondContact OD2-NH2 2.98Å; D152-F205 HydrophobicContact CB-CE1 4.42Å |
| 153 | Y | 89.3 | Confident | 87.7 | Confident | 138 Ų | 138 | 57 Ų | 57 | 54% | 0.541 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 172.6 | -179.1 | -97 | 0 | 0 | 0 | 111.3 | R150 W151 M155 A156 V157 F205 | R150-Y153 WeakPolarHBondContact O-CB 3.37Å; R150-Y153 PolarHBondContact O-N 3.36Å; W151-Y153 VanDerWaalsContact C-N 3.3Å; W151-Y153 PolarHBondContact O-N 3.16Å; Y153-M155 VanDerWaalsContact C-N 3.26Å; Y153-M155 PolarHBondContact O-N 3.22Å; Y153-A156 PolarHBondContact O-N 2.87Å; Y153-V157 HydrophobicContact CD1-CG2 4.19Å; Y153-V157 HydrophobicContact CE1-CG2 3.76Å; Y153-V157 HydrophobicContact CE2-CG2 4.3Å; Y153-V157 WeakPolarHBondContact O-CG2 3.37Å; Y153-V157 PolarHBondContact O-N 3.21Å; Y153-F205 HydrophobicContact CD2-CD2 4.28Å; Y153-F205 HydrophobicContact CD2-CE2 4.06Å; Y153-F205 HydrophobicContact CD2-CZ 4.26Å |
| 154 | M | 91 | Very high | 88.8 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 49% | 0.488 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | 171.8 | -67.8 | -176.6 | 66.9 | 0 | 0 | 112.3 | R150 W151 A158 | R150-M154 PolarHBondContact O-N 3.29Å; R150-M154 VanDerWaalsContact O-N 3.12Å; W151-M154 HydrophobicContact CD2-SD 4.4Å; W151-M154 HydrophobicContact CE3-CE 4.4Å; W151-M154 HydrophobicContact CE3-SD 3.8Å; W151-M154 HydrophobicContact CZ3-CE 4.09Å; W151-M154 HydrophobicContact CZ3-SD 3.96Å; W151-M154 WeakPolarHBondContact O-CB 3.42Å; W151-M154 PolarHBondContact O-N 3.04Å; M154-A158 WeakPolarHBondContact O-CB 3.27Å; M154-A158 PolarHBondContact O-N 3.48Å |
| 155 | M | 91.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.6 | -48.6 | 175.1 | -59.1 | -30.8 | -58.4 | 0 | 0 | 112.1 | L62 F113 W151 D152 Y153 V157 A158 E159 | L62-M155 HydrophobicContact CD1-CE 3.74Å; L62-M155 HydrophobicContact CD2-CE 3.36Å; L62-M155 HydrophobicContact CG-CE 4.2Å; F113-M155 HydrophobicContact CD1-CE 4.02Å; F113-M155 HydrophobicContact CD1-SD 4.17Å; F113-M155 HydrophobicContact CE1-CE 3.62Å; F113-M155 HydrophobicContact CE1-SD 3.2Å; F113-M155 WeakPolarHBondContact CE1-SD 3.5Å; F113-M155 HydrophobicContact CZ-CE 4.18Å; F113-M155 HydrophobicContact CZ-SD 3.5Å; F113-M155 WeakPolarHBondContact CZ-SD 3.27Å; W151-M155 VanDerWaalsContact O-CG 3.26Å; W151-M155 WeakPolarHBondContact O-CG 3.39Å; W151-M155 PolarHBondContact O-N 3.21Å; D152-M155 PolarHBondContact O-N 3.45Å; Y153-M155 VanDerWaalsContact C-N 3.26Å; Y153-M155 PolarHBondContact O-N 3.22Å; M155-V157 VanDerWaalsContact C-N 3.29Å; M155-V157 PolarHBondContact O-N 3.21Å; M155-A158 PolarHBondContact O-N 2.84Å; M155-A158 VanDerWaalsContact O-N 3.09Å; M155-E159 WeakPolarHBondContact O-CG 3.33Å; M155-E159 PolarHBondContact O-N 3.47Å |
| 156 | A | 92.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | D152 Y153 E159 F160 H201 F205 | D152-A156 PolarHBondContact O-N 2.9Å; Y153-A156 PolarHBondContact O-N 2.87Å; A156-E159 PolarHBondContact O-N 2.79Å; A156-F160 VanDerWaalsContact O-CB 3.27Å; A156-F160 WeakPolarHBondContact O-CB 3.31Å; A156-F160 PolarHBondContact O-N 3.03Å; A156-H201 HydrophobicContact CB-CB 4.34Å; A156-H201 VanDerWaalsContact CB-CD2 3.41Å; A156-H201 WeakPolarHBondContact CB-CD2 3.43Å; A156-F205 HydrophobicContact CB-CE2 3.51Å; A156-F205 HydrophobicContact CB-CZ 3.68Å |
| 157 | V | 93.2 | Very high | 91 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | Y153 M155 F160 L161 | Y153-V157 HydrophobicContact CD1-CG2 4.19Å; Y153-V157 HydrophobicContact CE1-CG2 3.76Å; Y153-V157 HydrophobicContact CE2-CG2 4.3Å; Y153-V157 WeakPolarHBondContact O-CG2 3.37Å; Y153-V157 PolarHBondContact O-N 3.21Å; M155-V157 VanDerWaalsContact C-N 3.29Å; M155-V157 PolarHBondContact O-N 3.21Å; V157-F160 PolarHBondContact O-N 3.47Å; V157-L161 HydrophobicContact CG1-CD1 3.86Å; V157-L161 HydrophobicContact CG1-CG 4.34Å; V157-L161 WeakPolarHBondContact O-CB 3.44Å; V157-L161 VanDerWaalsContact O-CG 3.25Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.32Å |
| 158 | A | 93 | Very high | 91.6 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | M154 M155 F162 | M154-A158 WeakPolarHBondContact O-CB 3.27Å; M154-A158 PolarHBondContact O-N 3.48Å; M155-A158 PolarHBondContact O-N 2.84Å; M155-A158 VanDerWaalsContact O-N 3.09Å; A158-F162 WeakPolarHBondContact O-CB 3.32Å; A158-F162 PolarHBondContact O-N 3.47Å |
| 159 | E | 94.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.047 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 173.9 | -69.7 | -166.6 | 172.1 | 0 | 0 | 111.3 | R61 L62 F65 M155 A156 F162 L163 H201 | R61-E159 IonicContact CZ-OE1 2.85Å; R61-E159 IonicContact CZ-OE2 2.98Å; R61-E159 VanDerWaalsContact NH1-CD 3.3Å; R61-E159 IonicContact NH1-OE1 3.52Å; R61-E159 PolarHBondContact NH1-OE1 3.06Å; R61-E159 IonicContact NH1-OE2 2.74Å; R61-E159 PolarHBondContact NH1-OE2 3.48Å; R61-E159 IonicContact NH2-OE1 2.8Å; R61-E159 IonicContact NH2-OE2 3.98Å; R61-E159 PolarHBondContact NH2-OE2 2.91Å; L62-E159 HydrophobicContact CD1-CG 4.18Å; L62-E159 WeakPolarHBondContact CD1-OE1 3.46Å; F65-E159 HydrophobicContact CD1-CG 3.85Å; F65-E159 HydrophobicContact CD2-CG 4.38Å; F65-E159 HydrophobicContact CE1-CB 3.87Å; F65-E159 HydrophobicContact CE1-CG 3.63Å; F65-E159 HydrophobicContact CE2-CB 4.07Å; F65-E159 HydrophobicContact CE2-CG 4.18Å; F65-E159 HydrophobicContact CG-CG 4.22Å; F65-E159 HydrophobicContact CZ-CB 3.58Å; F65-E159 HydrophobicContact CZ-CG 3.79Å; M155-E159 WeakPolarHBondContact O-CG 3.33Å; M155-E159 PolarHBondContact O-N 3.47Å; A156-E159 PolarHBondContact O-N 2.79Å; E159-F162 PolarHBondContact O-N 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.23Å; E159-L163 PolarHBondContact O-N 3.33Å; E159-H201 IonicContact OE2-CE1 3.41Å |
| 160 | F | 95.5 | Very high | 92.8 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 40% | 0.404 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 178.4 | -171.7 | -104.2 | 0 | 0 | 0 | 112.2 | A156 V157 F162 L163 L164 L194 A198 | A156-F160 VanDerWaalsContact O-CB 3.27Å; A156-F160 WeakPolarHBondContact O-CB 3.31Å; A156-F160 PolarHBondContact O-N 3.03Å; V157-F160 PolarHBondContact O-N 3.47Å; F160-F162 VanDerWaalsContact C-N 3.31Å; F160-F162 PolarHBondContact O-N 2.92Å; F160-L163 PolarHBondContact O-N 2.85Å; F160-L164 HydrophobicContact CD1-CD1 3.84Å; F160-L164 HydrophobicContact CD1-CG 4.24Å; F160-L164 HydrophobicContact CE1-CD1 3.56Å; F160-L164 HydrophobicContact CE1-CD2 4.43Å; F160-L164 HydrophobicContact CE1-CG 4.06Å; F160-L164 HydrophobicContact CZ-CD1 4.3Å; F160-L164 HydrophobicContact CZ-CD2 4.38Å; F160-L164 HydrophobicContact CZ-CG 4.41Å; F160-L164 WeakPolarHBondContact O-CG 3.22Å; F160-L164 PolarHBondContact O-N 3.22Å; F160-L194 HydrophobicContact CD2-CD1 3.57Å; F160-L194 HydrophobicContact CE2-CD1 3.46Å; F160-L194 VanDerWaalsContact CE2-CD1 3.46Å; F160-L194 HydrophobicContact CE2-CG 4.48Å; F160-L194 HydrophobicContact CZ-CD1 4.33Å; F160-A198 HydrophobicContact CE2-CB 4.25Å |
| 161 | L | 95.8 | Very high | 93.1 | Very high | 107 Ų | 107 | 59.3 Ų | 59.3 | 56% | 0.56 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.3 | -39 | 174.5 | -72.6 | 171.2 | 0 | 0 | 0 | 112.1 | V157 L164 W165 | V157-L161 HydrophobicContact CG1-CD1 3.86Å; V157-L161 HydrophobicContact CG1-CG 4.34Å; V157-L161 WeakPolarHBondContact O-CB 3.44Å; V157-L161 VanDerWaalsContact O-CG 3.25Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.32Å; L161-L164 PolarHBondContact O-N 2.92Å; L161-W165 PolarHBondContact O-N 3.1Å |
| 162 | F | 95.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 56.9 Ų | 56.9 | 19% | 0.193 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.3 | -173.9 | -94 | 0 | 0 | 0 | 112.1 | F65 T73 A158 E159 F160 W165 A166 | F65-F162 HydrophobicContact CE1-CB 4.48Å; F65-F162 AromaticContact CE1-CD1 3.97Å; F65-F162 HydrophobicContact CE1-CD1 3.97Å; F65-F162 HydrophobicContact CE1-CG 4.49Å; F65-F162 HydrophobicContact CZ-CD1 4.3Å; T73-F162 HydrophobicContact CG2-CZ 4.34Å; A158-F162 WeakPolarHBondContact O-CB 3.32Å; A158-F162 PolarHBondContact O-N 3.47Å; E159-F162 PolarHBondContact O-N 3.29Å; F160-F162 VanDerWaalsContact C-N 3.31Å; F160-F162 PolarHBondContact O-N 2.92Å; F162-W165 HydrophobicContact CD2-CE3 4.29Å; F162-W165 AromaticContact CE2-CE3 3.91Å; F162-W165 HydrophobicContact CE2-CE3 3.91Å; F162-W165 AromaticContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CZ-CE3 4.41Å; F162-W165 HydrophobicContact CZ-CZ3 4.3Å; F162-W165 PolarHBondContact O-N 3.27Å; F162-A166 PolarHBondContact O-N 3.41Å |
| 163 | L | 96.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | -36.8 | 176.4 | -67.7 | 166.2 | 0 | 0 | 0 | 112.6 | F65 Y69 E159 F160 W165 A166 V167 E193 L194 | F65-L163 HydrophobicContact CE2-CD1 3.96Å; F65-L163 HydrophobicContact CE2-CD2 4.23Å; F65-L163 HydrophobicContact CE2-CG 4.17Å; F65-L163 HydrophobicContact CZ-CD1 3.99Å; F65-L163 HydrophobicContact CZ-CD2 4.09Å; F65-L163 HydrophobicContact CZ-CG 3.81Å; Y69-L163 HydrophobicContact CD1-CD2 4.35Å; Y69-L163 HydrophobicContact CG-CD2 4.24Å; E159-L163 WeakPolarHBondContact O-CG 3.23Å; E159-L163 PolarHBondContact O-N 3.33Å; F160-L163 PolarHBondContact O-N 2.85Å; L163-W165 VanDerWaalsContact C-N 3.3Å; L163-W165 PolarHBondContact O-N 3.12Å; L163-A166 CarbonylContact O-C 3.24Å; L163-A166 WeakPolarHBondContact O-CB 3.22Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.87Å; L163-E193 HydrophobicContact CD1-CG 3.78Å; L163-E193 HydrophobicContact CD2-CB 4.29Å; L163-E193 HydrophobicContact CD2-CG 3.52Å; L163-E193 HydrophobicContact CG-CG 4.3Å; L163-L194 HydrophobicContact CB-CB 4.38Å; L163-L194 HydrophobicContact CB-CD1 3.77Å; L163-L194 HydrophobicContact CD1-CD1 4.37Å |
| 164 | L | 96.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 171.4 | -73.4 | 179.6 | 0 | 0 | 0 | 111.5 | F160 L161 V167 Y168 L194 | F160-L164 HydrophobicContact CD1-CD1 3.84Å; F160-L164 HydrophobicContact CD1-CG 4.24Å; F160-L164 HydrophobicContact CE1-CD1 3.56Å; F160-L164 HydrophobicContact CE1-CD2 4.43Å; F160-L164 HydrophobicContact CE1-CG 4.06Å; F160-L164 HydrophobicContact CZ-CD1 4.3Å; F160-L164 HydrophobicContact CZ-CD2 4.38Å; F160-L164 HydrophobicContact CZ-CG 4.41Å; F160-L164 WeakPolarHBondContact O-CG 3.22Å; F160-L164 PolarHBondContact O-N 3.22Å; L161-L164 PolarHBondContact O-N 2.92Å; L164-V167 PolarHBondContact O-N 3.39Å; L164-Y168 WeakPolarHBondContact O-CB 3.38Å; L164-Y168 PolarHBondContact O-N 3.05Å; L164-L194 HydrophobicContact CD2-CD1 4.45Å; L164-L194 HydrophobicContact CD2-CD2 4.15Å |
| 165 | W | 95.8 | Very high | 92.6 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 43% | 0.432 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 173.2 | -178.1 | 67.1 | 0 | 0 | 0 | 112.3 | T73 L161 F162 L163 Y168 L169 | T73-W165 HydrophobicContact CG2-CE3 3.6Å; T73-W165 HydrophobicContact CG2-CH2 4.13Å; T73-W165 HydrophobicContact CG2-CZ3 3.38Å; L161-W165 PolarHBondContact O-N 3.1Å; F162-W165 HydrophobicContact CD2-CE3 4.29Å; F162-W165 AromaticContact CE2-CE3 3.91Å; F162-W165 HydrophobicContact CE2-CE3 3.91Å; F162-W165 AromaticContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CE2-CZ3 3.9Å; F162-W165 HydrophobicContact CZ-CE3 4.41Å; F162-W165 HydrophobicContact CZ-CZ3 4.3Å; F162-W165 PolarHBondContact O-N 3.27Å; L163-W165 VanDerWaalsContact C-N 3.3Å; L163-W165 PolarHBondContact O-N 3.12Å; W165-Y168 WeakPolarHBondContact O-CB 3.39Å; W165-Y168 PolarHBondContact O-N 2.93Å; W165-L169 HydrophobicContact CD2-CD1 4Å; W165-L169 HydrophobicContact CE3-CD1 4.2Å; W165-L169 HydrophobicContact CH2-CD1 3.94Å; W165-L169 HydrophobicContact CZ2-CD1 3.72Å; W165-L169 HydrophobicContact CZ3-CD1 4.17Å; W165-L169 WeakPolarHBondContact O-CG 3.32Å; W165-L169 PolarHBondContact O-N 2.95Å |
| 166 | A | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T73 F162 L163 L169 C170 V190 | T73-A166 HydrophobicContact CG2-CB 3.93Å; T73-A166 VanDerWaalsContact OG1-CB 3.23Å; T73-A166 WeakPolarHBondContact OG1-CB 3.34Å; F162-A166 PolarHBondContact O-N 3.41Å; L163-A166 CarbonylContact O-C 3.24Å; L163-A166 WeakPolarHBondContact O-CB 3.22Å; L163-A166 PolarHBondContact O-N 3.44Å; A166-L169 PolarHBondContact O-N 3.4Å; A166-C170 PolarHBondContact O-N 2.86Å; A166-C170 PolarHBondContact O-SG 3.32Å; A166-V190 HydrophobicContact CB-CG1 3.65Å |
| 167 | V | 95.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 173.7 | 167 | 0 | 0 | 0 | 0 | 111.5 | L163 L164 L169 C170 Y171 V190 L194 | L163-V167 WeakPolarHBondContact O-CG2 3.35Å; L163-V167 PolarHBondContact O-N 2.87Å; L164-V167 PolarHBondContact O-N 3.39Å; V167-L169 VanDerWaalsContact C-N 3.3Å; V167-L169 PolarHBondContact O-N 3.42Å; V167-C170 WeakPolarHBondContact O-CB 3.13Å; V167-C170 PolarHBondContact O-N 3.34Å; V167-C170 VanDerWaalsContact O-N 3.16Å; V167-Y171 WeakPolarHBondContact O-CB 3.26Å; V167-Y171 PolarHBondContact O-N 3.15Å; V167-V190 HydrophobicContact CG2-CG1 3.77Å; V167-L194 HydrophobicContact CG2-CD2 3.79Å |
| 168 | Y | 94.3 | Very high | 88.5 | Confident | 152 Ų | 152 | 60.7 Ų | 60.7 | 60% | 0.596 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.4 | -42.1 | 171.8 | 170.2 | -95 | 0 | 0 | 0 | 111.8 | L164 W165 Y171 A172 | L164-Y168 WeakPolarHBondContact O-CB 3.38Å; L164-Y168 PolarHBondContact O-N 3.05Å; W165-Y168 WeakPolarHBondContact O-CB 3.39Å; W165-Y168 PolarHBondContact O-N 2.93Å; Y168-Y171 PolarHBondContact O-N 3.48Å; Y168-A172 PolarHBondContact O-N 2.87Å |
| 169 | L | 92.6 | Very high | 86.6 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67 | -38.3 | 174.1 | -71.1 | 169.8 | 0 | 0 | 0 | 112.4 | T73 Y77 L80 W165 A166 V167 Y171 A172 V173 | T73-L169 HydrophobicContact CG2-CD1 3.48Å; T73-L169 VanDerWaalsContact CG2-CD1 3.48Å; Y77-L169 HydrophobicContact CD2-CD2 4.36Å; L80-L169 HydrophobicContact CD2-CD2 3.5Å; L80-L169 VanDerWaalsContact CD2-CD2 3.5Å; W165-L169 HydrophobicContact CD2-CD1 4Å; W165-L169 HydrophobicContact CE3-CD1 4.2Å; W165-L169 HydrophobicContact CH2-CD1 3.94Å; W165-L169 HydrophobicContact CZ2-CD1 3.72Å; W165-L169 HydrophobicContact CZ3-CD1 4.17Å; W165-L169 WeakPolarHBondContact O-CG 3.32Å; W165-L169 PolarHBondContact O-N 2.95Å; A166-L169 PolarHBondContact O-N 3.4Å; V167-L169 VanDerWaalsContact C-N 3.3Å; V167-L169 PolarHBondContact O-N 3.42Å; L169-Y171 VanDerWaalsContact C-N 3.35Å; L169-A172 PolarHBondContact O-N 2.82Å; L169-V173 WeakPolarHBondContact O-CB 3.35Å; L169-V173 VanDerWaalsContact O-CG2 3.29Å; L169-V173 WeakPolarHBondContact O-CG2 3.25Å; L169-V173 PolarHBondContact O-N 3.2Å |
| 170 | C | 92.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.054 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 170.6 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | L76 A166 V167 A172 V173 R174 A187 | L76-C170 WeakPolarHBondContact CD1-SG 3.31Å; A166-C170 PolarHBondContact O-N 2.86Å; A166-C170 PolarHBondContact O-SG 3.32Å; V167-C170 WeakPolarHBondContact O-CB 3.13Å; V167-C170 PolarHBondContact O-N 3.34Å; V167-C170 VanDerWaalsContact O-N 3.16Å; C170-A172 PolarHBondContact O-N 3.44Å; C170-V173 PolarHBondContact O-N 3.34Å; C170-R174 PolarHBondContact O-N 3.48Å; C170-A187 HydrophobicContact CB-CB 3.95Å |
| 171 | Y | 91 | Very high | 83.7 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 178.3 | 175.4 | -86.9 | 0 | 0 | 0 | 111.8 | V167 Y168 L169 R174 | V167-Y171 WeakPolarHBondContact O-CB 3.26Å; V167-Y171 PolarHBondContact O-N 3.15Å; Y168-Y171 PolarHBondContact O-N 3.48Å; L169-Y171 VanDerWaalsContact C-N 3.35Å; Y171-R174 VanDerWaalsContact CD2-NE 3.33Å; Y171-R174 VanDerWaalsContact CE2-NH2 3.33Å; Y171-R174 WeakPolarHBondContact O-CB 3.17Å; Y171-R174 VanDerWaalsContact O-CD 3.29Å; Y171-R174 WeakPolarHBondContact O-CD 3.4Å; Y171-R174 WeakPolarHBondContact O-CG 3.41Å; Y171-R174 PolarHBondContact O-N 3.31Å; Y171-R174 PolarHBondContact OH-NH2 2.91Å |
| 172 | A | 90.1 | Very high | 83 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L80 Y168 L169 C170 R174 T175 | L80-A172 HydrophobicContact CD1-CB 3.69Å; L80-A172 HydrophobicContact CD2-CB 3.78Å; L80-A172 HydrophobicContact CG-CB 4.42Å; Y168-A172 PolarHBondContact O-N 2.87Å; L169-A172 PolarHBondContact O-N 2.82Å; C170-A172 PolarHBondContact O-N 3.44Å; A172-R174 VanDerWaalsContact C-N 3.28Å; A172-R174 PolarHBondContact O-N 3.25Å; A172-T175 PolarHBondContact O-N 2.91Å; A172-T175 PolarHBondContact O-OG1 3.48Å |
| 173 | V | 87.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -26.4 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 112.6 | V79 L80 L169 C170 T175 V176 P183 | V79-V173 HydrophobicContact CG1-CG1 3.92Å; V79-V173 HydrophobicContact CG1-CG2 4.39Å; L80-V173 HydrophobicContact CB-CG2 3.68Å; L80-V173 HydrophobicContact CD1-CG2 4Å; L80-V173 HydrophobicContact CG-CG2 4.33Å; L169-V173 WeakPolarHBondContact O-CB 3.35Å; L169-V173 VanDerWaalsContact O-CG2 3.29Å; L169-V173 WeakPolarHBondContact O-CG2 3.25Å; L169-V173 PolarHBondContact O-N 3.2Å; C170-V173 PolarHBondContact O-N 3.34Å; V173-T175 PolarHBondContact O-N 3.5Å; V173-V176 VanDerWaalsContact O-CB 3.27Å; V173-V176 WeakPolarHBondContact O-CB 3.45Å; V173-V176 WeakPolarHBondContact O-CG2 3.43Å; V173-V176 PolarHBondContact O-N 3.23Å; V173-P183 HydrophobicContact CG1-CB 3.92Å |
| 174 | R | 85.7 | Confident | 82.1 | Confident | 164 Ų | 164 | 73.2 Ų | 73.2 | 62% | 0.619 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.3 | 178.5 | 97.3 | -165 | 169.4 | 92.5 | -5.1 | 114.3 | C170 Y171 A172 V176 | C170-R174 PolarHBondContact O-N 3.48Å; Y171-R174 VanDerWaalsContact CD2-NE 3.33Å; Y171-R174 VanDerWaalsContact CE2-NH2 3.33Å; Y171-R174 WeakPolarHBondContact O-CB 3.17Å; Y171-R174 VanDerWaalsContact O-CD 3.29Å; Y171-R174 WeakPolarHBondContact O-CD 3.4Å; Y171-R174 WeakPolarHBondContact O-CG 3.41Å; Y171-R174 PolarHBondContact O-N 3.31Å; Y171-R174 PolarHBondContact OH-NH2 2.91Å; A172-R174 VanDerWaalsContact C-N 3.28Å; A172-R174 PolarHBondContact O-N 3.25Å; R174-V176 PolarHBondContact O-N 3.5Å |
| 175 | T | 79.2 | Confident | 81.9 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 63% | 0.632 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.4 | 178 | 63.2 | 0 | 0 | 0 | 0 | 113 | A172 V173 P177 | A172-T175 PolarHBondContact O-N 2.91Å; A172-T175 PolarHBondContact O-OG1 3.48Å; V173-T175 PolarHBondContact O-N 3.5Å; T175-P177 WeakPolarHBondContact O-CD 3.41Å |
| 176 | V | 73.7 | Confident | 81.7 | Confident | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -82.6 | 121.3 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | F83 V173 R174 S178 | F83-V176 HydrophobicContact CB-CG1 4.33Å; F83-V176 HydrophobicContact CB-CG2 3.56Å; F83-V176 HydrophobicContact CD1-CG1 3.48Å; F83-V176 VanDerWaalsContact CD1-CG1 3.48Å; F83-V176 HydrophobicContact CD1-CG2 4.27Å; F83-V176 HydrophobicContact CD2-CB 4.39Å; F83-V176 HydrophobicContact CD2-CG1 3.58Å; F83-V176 HydrophobicContact CD2-CG2 3.96Å; F83-V176 HydrophobicContact CE1-CG1 3.52Å; F83-V176 HydrophobicContact CE2-CG1 3.64Å; F83-V176 HydrophobicContact CG-CB 4.25Å; F83-V176 HydrophobicContact CG-CG1 3.5Å; F83-V176 HydrophobicContact CG-CG2 3.66Å; F83-V176 HydrophobicContact CZ-CG1 3.61Å; V173-V176 VanDerWaalsContact O-CB 3.27Å; V173-V176 WeakPolarHBondContact O-CB 3.45Å; V173-V176 WeakPolarHBondContact O-CG2 3.43Å; V173-V176 PolarHBondContact O-N 3.23Å; R174-V176 PolarHBondContact O-N 3.5Å; V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.25Å |
| 177 | P | 62.4 | Low | 81.5 | Confident | 120 Ų | 120 | 69 Ų | 69 | 78% | 0.779 | 34% | 0.343 | S | S | * | . | trans | -68.1 | 92.5 | 165.9 | 28.6 | -32.6 | 0 | 0 | 0 | 108.9 | T175 A179 | T175-P177 WeakPolarHBondContact O-CD 3.41Å; P177-A179 PolarHBondContact O-N 2.94Å | ||
| 178 | S | 55.6 | Low | 81.4 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | trans | -78.5 | 101 | -175 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | V176 F180 | V176-S178 VanDerWaalsContact C-N 3.3Å; V176-S178 PolarHBondContact O-N 3.25Å; S178-F180 WeakPolarHBondContact CB-O 3.29Å; S178-F180 PolarHBondContact O-N 3.47Å; S178-F180 VanDerWaalsContact O-N 3.17Å; S178-F180 PolarHBondContact OG-O 3.37Å | ||
| 179 | A | 52.2 | Low | 81.5 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 74% | 0.736 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -56.2 | -26.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P177 | P177-A179 PolarHBondContact O-N 2.94Š|
| 180 | F | 58.4 | Low | 81.6 | Confident | 165 Ų | 165 | 64.5 Ų | 64.5 | 72% | 0.724 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -99.2 | 133.7 | 167.4 | -68 | -91.4 | 0 | 0 | 0 | 110.4 | S178 E182 P183 | S178-F180 WeakPolarHBondContact CB-O 3.29Å; S178-F180 PolarHBondContact O-N 3.47Å; S178-F180 VanDerWaalsContact O-N 3.17Å; S178-F180 PolarHBondContact OG-O 3.37Å; F180-E182 PolarHBondContact O-N 2.9Å; F180-P183 VanDerWaalsContact O-CD 3.23Å; F180-P183 WeakPolarHBondContact O-CD 3.37Å |
| 181 | H | 71.3 | Confident | 81.7 | Confident | 103 Ų | 103 | 68.2 Ų | 68.2 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -71.5 | -9.6 | 178 | -71.7 | -121.2 | 0 | 0 | 0 | 113.5 | P183 R184 Y185 | H181-P183 VanDerWaalsContact C-CD 3.49Å; H181-R184 WeakPolarHBondContact O-CB 3.29Å; H181-R184 PolarHBondContact O-N 2.94Å; H181-Y185 HydrophobicContact CB-CD2 4.36Å; H181-Y185 HydrophobicContact CB-CE2 3.67Å; H181-Y185 WeakPolarHBondContact O-CD2 3.11Å |
| 182 | E | 80.3 | Confident | 81.9 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -48.7 | -44.3 | -174.6 | -170.5 | 178.1 | -146.8 | 0 | 0 | 115 | S23 K75 F180 R184 Y185 M186 K239 | S23-E182 PolarHBondContact OG-OE1 3.37Å; K75-E182 IonicContact NZ-OE1 2.72Å; K75-E182 PolarHBondContact NZ-OE1 3.16Å; K75-E182 IonicContact NZ-OE2 3.69Å; F180-E182 PolarHBondContact O-N 2.9Å; E182-R184 VanDerWaalsContact C-N 3.27Å; E182-R184 PolarHBondContact O-N 3.05Å; E182-Y185 PolarHBondContact O-N 3.2Å; E182-M186 HydrophobicContact CG-CE 3.42Å; E182-M186 VanDerWaalsContact CG-CE 3.42Å; E182-M186 HydrophobicContact CG-SD 4.27Å; E182-M186 PolarHBondContact O-N 3.03Å; E182-K239 IonicContact OE1-NZ 2.95Å |
| 183 | P | 86.6 | Confident | 82.2 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -24.5 | 179.5 | -20.2 | 34.1 | 0 | 0 | 0 | 114 | V79 V173 F180 H181 A187 | V79-P183 HydrophobicContact CG1-CG 4.43Å; V173-P183 HydrophobicContact CG1-CB 3.92Å; F180-P183 VanDerWaalsContact O-CD 3.23Å; F180-P183 WeakPolarHBondContact O-CD 3.37Å; H181-P183 VanDerWaalsContact C-CD 3.49Å; P183-A187 PolarHBondContact O-N 3.25Å |
| 184 | R | 87.9 | Confident | 82.6 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 50% | 0.502 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.2 | -43.3 | 178.6 | -55.6 | -175.2 | -170.8 | 178 | 5.8 | 110.7 | H181 E182 M186 A187 I188 | H181-R184 WeakPolarHBondContact O-CB 3.29Å; H181-R184 PolarHBondContact O-N 2.94Å; E182-R184 VanDerWaalsContact C-N 3.27Å; E182-R184 PolarHBondContact O-N 3.05Å; R184-M186 VanDerWaalsContact C-N 3.33Å; R184-M186 PolarHBondContact O-N 3.38Å; R184-A187 PolarHBondContact O-N 3.48Å; R184-I188 VanDerWaalsContact O-CG1 3.3Å; R184-I188 WeakPolarHBondContact O-CG1 3.38Å; R184-I188 PolarHBondContact O-N 3.39Å |
| 185 | Y | 91 | Very high | 83.1 | Confident | 73 Ų | 73 | 60 Ų | 60 | 29% | 0.286 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 175.1 | -59.8 | -62.9 | 0 | 0 | 0 | 112.2 | H181 E182 I188 A189 L234 P238 | H181-Y185 HydrophobicContact CB-CD2 4.36Å; H181-Y185 HydrophobicContact CB-CE2 3.67Å; H181-Y185 WeakPolarHBondContact O-CD2 3.11Å; E182-Y185 PolarHBondContact O-N 3.2Å; Y185-I188 PolarHBondContact O-N 3.35Å; Y185-A189 WeakPolarHBondContact O-CB 3.42Å; Y185-A189 PolarHBondContact O-N 3.49Å; Y185-L234 WeakPolarHBondContact CB-O 3.36Å; Y185-L234 HydrophobicContact CD1-CD2 4.06Å; Y185-P238 HydrophobicContact CD1-CG 4.45Å; Y185-P238 HydrophobicContact CD2-CB 4.33Å; Y185-P238 HydrophobicContact CD2-CG 3.97Å; Y185-P238 HydrophobicContact CE1-CG 4.37Å; Y185-P238 HydrophobicContact CE2-CB 4.05Å; Y185-P238 HydrophobicContact CE2-CG 3.88Å; Y185-P238 HydrophobicContact CG-CG 4.26Å |
| 186 | M | 91.9 | Very high | 83.9 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 171.9 | -72.2 | 167.4 | -170.4 | 0 | 0 | 112.4 | K75 L76 E182 R184 A189 V190 L235 | K75-M186 HydrophobicContact CD-CE 3.63Å; K75-M186 HydrophobicContact CD-SD 4.14Å; K75-M186 HydrophobicContact CG-CE 4.36Å; K75-M186 HydrophobicContact CG-SD 4.23Å; L76-M186 HydrophobicContact CD1-CB 4.45Å; L76-M186 HydrophobicContact CD2-CB 4.05Å; L76-M186 HydrophobicContact CG-CB 4.34Å; E182-M186 HydrophobicContact CG-CE 3.42Å; E182-M186 VanDerWaalsContact CG-CE 3.42Å; E182-M186 HydrophobicContact CG-SD 4.27Å; E182-M186 PolarHBondContact O-N 3.03Å; R184-M186 VanDerWaalsContact C-N 3.33Å; R184-M186 PolarHBondContact O-N 3.38Å; M186-A189 PolarHBondContact O-N 3.23Å; M186-V190 WeakPolarHBondContact O-CG2 3.37Å; M186-V190 PolarHBondContact O-N 2.98Å; M186-L235 HydrophobicContact CE-CD2 3.81Å; M186-L235 HydrophobicContact CG-CD2 3.6Å |
| 187 | A | 92.7 | Very high | 84.9 | Confident | 22 Ų | 22 | 56 Ų | 56 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -47 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | C170 P183 R184 A189 V190 H191 | C170-A187 HydrophobicContact CB-CB 3.95Å; P183-A187 PolarHBondContact O-N 3.25Å; R184-A187 PolarHBondContact O-N 3.48Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 2.85Å; A187-V190 PolarHBondContact O-N 3.1Å; A187-H191 PolarHBondContact O-N 3.44Å; A187-H191 PolarHBondContact O-ND1 2.99Å |
| 188 | I | 93.3 | Very high | 86.5 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 177.5 | -64.4 | 162 | 0 | 0 | 0 | 110.7 | R184 Y185 V190 H191 N192 L234 | R184-I188 VanDerWaalsContact O-CG1 3.3Å; R184-I188 WeakPolarHBondContact O-CG1 3.38Å; R184-I188 PolarHBondContact O-N 3.39Å; Y185-I188 PolarHBondContact O-N 3.35Å; I188-V190 PolarHBondContact O-N 2.88Å; I188-H191 PolarHBondContact O-N 3.3Å; I188-N192 VanDerWaalsContact O-CB 3.3Å; I188-N192 WeakPolarHBondContact O-CB 3.47Å; I188-N192 PolarHBondContact O-N 2.98Å; I188-L234 HydrophobicContact CB-CD1 4.17Å; I188-L234 HydrophobicContact CG2-CD1 3.69Å; I188-L234 HydrophobicContact CG2-CD2 4.4Å |
| 189 | A | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L72 Y185 M186 A187 N192 E193 T231 L234 | L72-A189 HydrophobicContact CD2-CB 4.12Å; Y185-A189 WeakPolarHBondContact O-CB 3.42Å; Y185-A189 PolarHBondContact O-N 3.49Å; M186-A189 PolarHBondContact O-N 3.23Å; A187-A189 VanDerWaalsContact C-N 3.34Å; A187-A189 PolarHBondContact O-N 2.85Å; A189-N192 PolarHBondContact O-N 3.45Å; A189-E193 WeakPolarHBondContact O-CB 3.18Å; A189-E193 PolarHBondContact O-N 2.96Å; A189-T231 HydrophobicContact CB-CG2 4.23Å; A189-L234 HydrophobicContact CB-CD1 3.98Å |
| 190 | V | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | L72 L76 A166 V167 M186 A187 I188 L194 | L72-V190 HydrophobicContact CB-CG2 4.44Å; L72-V190 HydrophobicContact CD2-CG2 3.92Å; L76-V190 HydrophobicContact CD1-CG2 4.35Å; A166-V190 HydrophobicContact CB-CG1 3.65Å; V167-V190 HydrophobicContact CG2-CG1 3.77Å; M186-V190 WeakPolarHBondContact O-CG2 3.37Å; M186-V190 PolarHBondContact O-N 2.98Å; A187-V190 PolarHBondContact O-N 3.1Å; I188-V190 PolarHBondContact O-N 2.88Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 PolarHBondContact O-N 3.36Å |
| 191 | H | 94.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 40% | 0.403 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -72.1 | -37.3 | 175.5 | -70.5 | 69 | 0 | 0 | 0 | 111.8 | A187 I188 L194 V195 | A187-H191 PolarHBondContact O-N 3.44Å; A187-H191 PolarHBondContact O-ND1 2.99Å; I188-H191 PolarHBondContact O-N 3.3Å; H191-L194 PolarHBondContact O-N 2.86Å; H191-V195 WeakPolarHBondContact O-CG2 3.33Å; H191-V195 PolarHBondContact O-N 3.32Å |
| 192 | N | 95.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 173.2 | -177.8 | 79.8 | 0 | 0 | 0 | 111 | I188 A189 V195 L196 L226 V230 | I188-N192 VanDerWaalsContact O-CB 3.3Å; I188-N192 WeakPolarHBondContact O-CB 3.47Å; I188-N192 PolarHBondContact O-N 2.98Å; A189-N192 PolarHBondContact O-N 3.45Å; N192-V195 PolarHBondContact O-N 3.26Å; N192-L196 VanDerWaalsContact ND2-CD1 3.34Å; N192-L196 WeakPolarHBondContact ND2-CD1 3.23Å; N192-L196 WeakPolarHBondContact O-CB 3.33Å; N192-L196 WeakPolarHBondContact O-CG 3.45Å; N192-L196 PolarHBondContact O-N 3.45Å; N192-L226 PolarHBondContact ND2-O 2.68Å; N192-V230 HydrophobicContact CB-CG1 4.48Å |
| 193 | E | 95.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.2 | -50.3 | 173 | 174.9 | 58.9 | -152.9 | 0 | 0 | 111.9 | F65 Y69 L163 A189 V195 L196 S197 T227 | F65-E193 HydrophobicContact CE2-CG 4.49Å; Y69-E193 HydrophobicContact CD1-CB 4.34Å; Y69-E193 HydrophobicContact CD1-CG 4.03Å; Y69-E193 HydrophobicContact CD2-CG 4.12Å; Y69-E193 HydrophobicContact CE1-CB 3.66Å; Y69-E193 HydrophobicContact CE1-CG 3.63Å; Y69-E193 HydrophobicContact CE2-CG 3.72Å; Y69-E193 HydrophobicContact CG-CG 4.29Å; Y69-E193 VanDerWaalsContact CZ-CG 3.48Å; Y69-E193 PolarHBondContact OH-OE2 2.66Å; L163-E193 HydrophobicContact CD1-CG 3.78Å; L163-E193 HydrophobicContact CD2-CB 4.29Å; L163-E193 HydrophobicContact CD2-CG 3.52Å; L163-E193 HydrophobicContact CG-CG 4.3Å; A189-E193 WeakPolarHBondContact O-CB 3.18Å; A189-E193 PolarHBondContact O-N 2.96Å; E193-V195 PolarHBondContact O-N 2.81Å; E193-L196 PolarHBondContact O-N 3.37Å; E193-S197 VanDerWaalsContact O-CB 3.23Å; E193-S197 WeakPolarHBondContact O-CB 3.29Å; E193-S197 PolarHBondContact O-N 2.88Å; E193-S197 WeakPolarHBondContact OE1-CB 3.46Å; E193-S197 PolarHBondContact OE1-OG 2.95Å; E193-T227 WeakPolarHBondContact OE2-CB 3.39Å; E193-T227 WeakPolarHBondContact OE2-CG2 3.29Å |
| 194 | L | 96.2 | Very high | 93.5 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | -179.5 | 179.5 | 64.5 | 0 | 0 | 0 | 112.8 | F160 L163 L164 V167 V190 H191 A198 | F160-L194 HydrophobicContact CD2-CD1 3.57Å; F160-L194 HydrophobicContact CE2-CD1 3.46Å; F160-L194 VanDerWaalsContact CE2-CD1 3.46Å; F160-L194 HydrophobicContact CE2-CG 4.48Å; F160-L194 HydrophobicContact CZ-CD1 4.33Å; L163-L194 HydrophobicContact CB-CB 4.38Å; L163-L194 HydrophobicContact CB-CD1 3.77Å; L163-L194 HydrophobicContact CD1-CD1 4.37Å; L164-L194 HydrophobicContact CD2-CD1 4.45Å; L164-L194 HydrophobicContact CD2-CD2 4.15Å; V167-L194 HydrophobicContact CG2-CD2 3.79Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 PolarHBondContact O-N 3.36Å; H191-L194 PolarHBondContact O-N 2.86Å; L194-A198 WeakPolarHBondContact O-CB 3.25Å; L194-A198 PolarHBondContact O-N 3.1Å |
| 195 | V | 96.4 | Very high | 93.4 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.8 | -46.8 | -179.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | H191 N192 E193 A198 I199 | H191-V195 WeakPolarHBondContact O-CG2 3.33Å; H191-V195 PolarHBondContact O-N 3.32Å; N192-V195 PolarHBondContact O-N 3.26Å; E193-V195 PolarHBondContact O-N 2.81Å; V195-A198 PolarHBondContact O-N 2.63Å; V195-I199 HydrophobicContact CG1-CD1 3.85Å; V195-I199 VanDerWaalsContact O-CG1 3.32Å; V195-I199 WeakPolarHBondContact O-CG1 3.43Å; V195-I199 PolarHBondContact O-N 3.45Å |
| 196 | L | 95.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.6 | -39.8 | -176.8 | -65.4 | 175.5 | 0 | 0 | 0 | 112.6 | N192 E193 I199 F200 L226 T227 | N192-L196 VanDerWaalsContact ND2-CD1 3.34Å; N192-L196 WeakPolarHBondContact ND2-CD1 3.23Å; N192-L196 WeakPolarHBondContact O-CB 3.33Å; N192-L196 WeakPolarHBondContact O-CG 3.45Å; N192-L196 PolarHBondContact O-N 3.45Å; E193-L196 PolarHBondContact O-N 3.37Å; L196-I199 PolarHBondContact O-N 3.37Å; L196-F200 VanDerWaalsContact O-CB 3.24Å; L196-F200 WeakPolarHBondContact O-CB 3.49Å; L196-F200 PolarHBondContact O-N 3.01Å; L196-L226 HydrophobicContact CD1-CB 4.02Å; L196-L226 HydrophobicContact CD1-CD2 4.02Å; L196-L226 HydrophobicContact CD1-CG 3.64Å; L196-L226 WeakPolarHBondContact CD1-O 3.16Å; L196-L226 HydrophobicContact CD2-CD2 3.64Å; L196-L226 HydrophobicContact CD2-CG 4.23Å; L196-L226 HydrophobicContact CG-CD2 4.49Å; L196-T227 HydrophobicContact CB-CG2 3.78Å; L196-T227 HydrophobicContact CD1-CG2 3.86Å |
| 197 | S | 94.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.9 | -28.1 | 174.6 | -75.4 | 0 | 0 | 0 | 0 | 112.5 | E193 H201 H223 | E193-S197 VanDerWaalsContact O-CB 3.23Å; E193-S197 WeakPolarHBondContact O-CB 3.29Å; E193-S197 PolarHBondContact O-N 2.88Å; E193-S197 WeakPolarHBondContact OE1-CB 3.46Å; E193-S197 PolarHBondContact OE1-OG 2.95Å; S197-H201 WeakPolarHBondContact O-CB 3.44Å; S197-H201 PolarHBondContact O-N 2.97Å; S197-H201 PolarHBondContact O-ND1 3.48Å; S197-H223 PolarHBondContact OG-CE1 2.96Å; S197-H223 PolarHBondContact OG-NE2 2.86Å |
| 198 | A | 94.7 | Very high | 91.7 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -49.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F160 L194 V195 F200 H201 V202 | F160-A198 HydrophobicContact CE2-CB 4.25Å; L194-A198 WeakPolarHBondContact O-CB 3.25Å; L194-A198 PolarHBondContact O-N 3.1Å; V195-A198 PolarHBondContact O-N 2.63Å; A198-F200 PolarHBondContact O-N 3.42Å; A198-H201 PolarHBondContact O-N 2.92Å; A198-V202 WeakPolarHBondContact O-CB 3.49Å; A198-V202 VanDerWaalsContact O-CG2 3.31Å; A198-V202 WeakPolarHBondContact O-CG2 3.32Å; A198-V202 PolarHBondContact O-N 2.95Å |
| 199 | I | 94.6 | Very high | 90.4 | Very high | 88 Ų | 88 | 49.3 Ų | 49.3 | 45% | 0.451 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 178.3 | -67.6 | 164.9 | 0 | 0 | 0 | 111 | V195 L196 H201 V202 I203 | V195-I199 HydrophobicContact CG1-CD1 3.85Å; V195-I199 VanDerWaalsContact O-CG1 3.32Å; V195-I199 WeakPolarHBondContact O-CG1 3.43Å; V195-I199 PolarHBondContact O-N 3.45Å; L196-I199 PolarHBondContact O-N 3.37Å; I199-H201 PolarHBondContact O-N 3.26Å; I199-V202 PolarHBondContact O-N 2.97Å; I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.49Å; I199-I203 WeakPolarHBondContact O-CG1 3.3Å; I199-I203 PolarHBondContact O-N 2.72Å |
| 200 | F | 93.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 177.3 | 170 | -94.1 | 0 | 0 | 0 | 112.2 | L196 A198 I203 R204 L219 F220 H223 | L196-F200 VanDerWaalsContact O-CB 3.24Å; L196-F200 WeakPolarHBondContact O-CB 3.49Å; L196-F200 PolarHBondContact O-N 3.01Å; A198-F200 PolarHBondContact O-N 3.42Å; F200-I203 PolarHBondContact O-N 3.35Å; F200-R204 WeakPolarHBondContact O-CB 3.23Å; F200-R204 PolarHBondContact O-N 3.38Å; F200-L219 HydrophobicContact CD2-CD2 3.87Å; F200-L219 HydrophobicContact CD2-CG 3.74Å; F200-L219 HydrophobicContact CE2-CD2 3.73Å; F200-L219 HydrophobicContact CE2-CG 3.82Å; F200-F220 HydrophobicContact CE2-CD1 4.12Å; F200-F220 HydrophobicContact CE2-CE1 4.4Å; F200-F220 HydrophobicContact CE2-CG 4.24Å; F200-F220 AromaticContact CZ-CD1 3.81Å; F200-F220 HydrophobicContact CZ-CD1 3.81Å; F200-F220 AromaticContact CZ-CE1 3.65Å; F200-F220 HydrophobicContact CZ-CE1 3.65Å; F200-F220 HydrophobicContact CZ-CE2 4.4Å; F200-F220 HydrophobicContact CZ-CG 4.28Å; F200-F220 AromaticContact CZ-CZ 3.96Å; F200-F220 HydrophobicContact CZ-CZ 3.96Å; F200-H223 HydrophobicContact CB-CB 4.29Å; F200-H223 WeakPolarHBondContact CB-CD2 3.46Å; F200-H223 HydrophobicContact CD2-CB 3.47Å; F200-H223 VanDerWaalsContact CD2-CB 3.47Å; F200-H223 AromaticContact CD2-CG 3.64Å; F200-H223 HydrophobicContact CE2-CB 4.04Å; F200-H223 HydrophobicContact CG-CB 4.02Å; F200-H223 AromaticContact CG-CD2 3.63Å; F200-H223 AromaticContact CG-CG 3.68Å |
| 201 | H | 92.1 | Very high | 87.5 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 13% | 0.13 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -36.2 | 179.9 | -74.5 | 111.7 | 0 | 0 | 0 | 112.4 | A156 E159 S197 A198 I199 R204 F205 | A156-H201 HydrophobicContact CB-CB 4.34Å; A156-H201 VanDerWaalsContact CB-CD2 3.41Å; A156-H201 WeakPolarHBondContact CB-CD2 3.43Å; E159-H201 IonicContact OE2-CE1 3.41Å; S197-H201 WeakPolarHBondContact O-CB 3.44Å; S197-H201 PolarHBondContact O-N 2.97Å; S197-H201 PolarHBondContact O-ND1 3.48Å; A198-H201 PolarHBondContact O-N 2.92Å; I199-H201 PolarHBondContact O-N 3.26Å; H201-R204 PolarHBondContact O-N 2.91Å; H201-F205 HydrophobicContact CB-CD2 4.19Å; H201-F205 HydrophobicContact CB-CE2 3.92Å; H201-F205 WeakPolarHBondContact O-CB 3.36Å; H201-F205 WeakPolarHBondContact O-CD2 3.28Å; H201-F205 WeakPolarHBondContact O-CG 3.08Å; H201-F205 PolarHBondContact O-N 2.77Å |
| 202 | V | 92.3 | Very high | 86.5 | Confident | 89 Ų | 89 | 58 Ų | 58 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -55.7 | 172.2 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | A198 I199 R204 F205 T206 | A198-V202 WeakPolarHBondContact O-CB 3.49Å; A198-V202 VanDerWaalsContact O-CG2 3.31Å; A198-V202 WeakPolarHBondContact O-CG2 3.32Å; A198-V202 PolarHBondContact O-N 2.95Å; I199-V202 PolarHBondContact O-N 2.97Å; V202-R204 VanDerWaalsContact C-N 3.31Å; V202-R204 PolarHBondContact O-N 2.9Å; V202-F205 PolarHBondContact O-N 2.76Å; V202-F205 VanDerWaalsContact O-N 3.11Å; V202-T206 HydrophobicContact CG1-CG2 4.4Å; V202-T206 PolarHBondContact O-N 3.36Å; V202-T206 PolarHBondContact O-OG1 2.99Å |
| 203 | I | 90.7 | Very high | 85.6 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 179.1 | -62.6 | 166.3 | 0 | 0 | 0 | 110.6 | I199 F200 F205 T206 L207 L219 | I199-I203 HydrophobicContact CG2-CD1 3.72Å; I199-I203 HydrophobicContact CG2-CG1 4.49Å; I199-I203 WeakPolarHBondContact O-CG1 3.3Å; I199-I203 PolarHBondContact O-N 2.72Å; F200-I203 PolarHBondContact O-N 3.35Å; I203-F205 VanDerWaalsContact C-N 3.32Å; I203-F205 PolarHBondContact O-N 3.41Å; I203-T206 PolarHBondContact O-N 3.03Å; I203-L207 HydrophobicContact CG2-CB 4.32Å; I203-L207 HydrophobicContact CG2-CD2 4.41Å; I203-L207 WeakPolarHBondContact O-CB 3.45Å; I203-L207 PolarHBondContact O-N 3.23Å; I203-L219 HydrophobicContact CB-CD1 4.17Å; I203-L219 HydrophobicContact CD1-CD1 4.21Å; I203-L219 HydrophobicContact CG2-CD1 3.69Å; I203-L219 HydrophobicContact CG2-CD2 4.21Å |
| 204 | R | 87.6 | Confident | 85.1 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 176.8 | 176.7 | 176.4 | 175.5 | 76.1 | 1.4 | 112.4 | L148 D152 F200 H201 V202 A208 L219 | L148-R204 VanDerWaalsContact CD1-NH2 3.34Å; L148-R204 HydrophobicContact CD2-CG 4.15Å; D152-R204 IonicContact OD2-NH2 2.73Å; D152-R204 PolarHBondContact OD2-NH2 2.98Å; F200-R204 WeakPolarHBondContact O-CB 3.23Å; F200-R204 PolarHBondContact O-N 3.38Å; H201-R204 PolarHBondContact O-N 2.91Å; V202-R204 VanDerWaalsContact C-N 3.31Å; V202-R204 PolarHBondContact O-N 2.9Å; R204-A208 WeakPolarHBondContact O-CB 3.24Å; R204-L219 HydrophobicContact CB-CD2 4.38Å |
| 205 | F | 87.1 | Confident | 84.6 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -86.5 | -27 | -178 | -66 | -50.8 | 0 | 0 | 0 | 113.9 | L148 D152 Y153 A156 H201 V202 I203 | L148-F205 HydrophobicContact CD2-CD1 3.83Å; L148-F205 HydrophobicContact CD2-CE1 4.11Å; D152-F205 HydrophobicContact CB-CE1 4.42Å; Y153-F205 HydrophobicContact CD2-CD2 4.28Å; Y153-F205 HydrophobicContact CD2-CE2 4.06Å; Y153-F205 HydrophobicContact CD2-CZ 4.26Å; A156-F205 HydrophobicContact CB-CE2 3.51Å; A156-F205 HydrophobicContact CB-CZ 3.68Å; H201-F205 HydrophobicContact CB-CD2 4.19Å; H201-F205 HydrophobicContact CB-CE2 3.92Å; H201-F205 WeakPolarHBondContact O-CB 3.36Å; H201-F205 WeakPolarHBondContact O-CD2 3.28Å; H201-F205 WeakPolarHBondContact O-CG 3.08Å; H201-F205 PolarHBondContact O-N 2.77Å; V202-F205 PolarHBondContact O-N 2.76Å; V202-F205 VanDerWaalsContact O-N 3.11Å; I203-F205 VanDerWaalsContact C-N 3.32Å; I203-F205 PolarHBondContact O-N 3.41Å |
| 206 | T | 86.5 | Confident | 84 | Confident | 98 Ų | 98 | 65.5 Ų | 65.5 | 60% | 0.601 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -90.3 | -31.1 | 179.3 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | V202 I203 | V202-T206 HydrophobicContact CG1-CG2 4.4Å; V202-T206 PolarHBondContact O-N 3.36Å; V202-T206 PolarHBondContact O-OG1 2.99Å; I203-T206 PolarHBondContact O-N 3.03Å |
| 207 | L | 81.7 | Confident | 83.6 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -112.7 | 1.9 | -171.6 | -91.6 | 69.4 | 0 | 0 | 0 | 114 | I203 H209 E210 L211 | I203-L207 HydrophobicContact CG2-CB 4.32Å; I203-L207 HydrophobicContact CG2-CD2 4.41Å; I203-L207 WeakPolarHBondContact O-CB 3.45Å; I203-L207 PolarHBondContact O-N 3.23Å; L207-H209 VanDerWaalsContact C-N 3.26Å; L207-H209 PolarHBondContact O-N 3.48Å; L207-E210 PolarHBondContact O-N 3.33Å; L207-E210 VanDerWaalsContact O-N 3.14Å; L207-L211 HydrophobicContact CB-CD1 3.96Å; L207-L211 HydrophobicContact CB-CD2 4.2Å; L207-L211 HydrophobicContact CD2-CD1 3.96Å; L207-L211 HydrophobicContact CG-CD1 4.25Å; L207-L211 PolarHBondContact O-N 3.43Å |
| 208 | A | 71.5 | Confident | 83.5 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 12% | 0.116 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L148 R204 | L148-A208 HydrophobicContact CD1-CB 4.22Å; L148-A208 HydrophobicContact CD2-CB 3.84Å; R204-A208 WeakPolarHBondContact O-CB 3.24Å |
| 209 | H | 64.9 | Low | 83.3 | Confident | 180 Ų | 180 | 69.9 Ų | 69.9 | 83% | 0.833 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.2 | -178.8 | -69.2 | -61.4 | 0 | 0 | 0 | 114.2 | L207 | L207-H209 VanDerWaalsContact C-N 3.26Å; L207-H209 PolarHBondContact O-N 3.48Å |
| 210 | E | 63.9 | Low | 83.1 | Confident | 170 Ų | 170 | 66.2 Ų | 66.2 | 79% | 0.794 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -11.4 | -178.2 | -63.5 | -173.2 | 172.3 | 0 | 0 | 113.4 | L207 | L207-E210 PolarHBondContact O-N 3.33Å; L207-E210 VanDerWaalsContact O-N 3.14Å |
| 211 | L | 66.1 | Low | 83.1 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | trans | -92.6 | 120.6 | -174.8 | -99.9 | 51.3 | 0 | 0 | 0 | 113.3 | L207 W215 | L207-L211 HydrophobicContact CB-CD1 3.96Å; L207-L211 HydrophobicContact CB-CD2 4.2Å; L207-L211 HydrophobicContact CD2-CD1 3.96Å; L207-L211 HydrophobicContact CG-CD1 4.25Å; L207-L211 PolarHBondContact O-N 3.43Å; L211-W215 HydrophobicContact CB-CB 4.21Å; L211-W215 HydrophobicContact CD2-CB 4.13Å; L211-W215 HydrophobicContact CG-CB 3.77Å; L211-W215 HydrophobicContact CG-CG 4.5Å | ||
| 212 | H | 73.9 | Confident | 83.2 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 29% | 0.287 | 36% | 0.361 | S | S | . | . | trans | -48.8 | 146.1 | 166.3 | -151.2 | -108.1 | 0 | 0 | 0 | 111.2 | T137 D214 W215 M216 | T137-H212 VanDerWaalsContact CG2-NE2 3.31Å; T137-H212 WeakPolarHBondContact CG2-NE2 3.17Å; H212-D214 IonicContact CE1-OD2 3.21Å; H212-D214 PolarHBondContact CE1-OD2 2.98Å; H212-D214 IonicContact CG-OD2 3.98Å; H212-D214 IonicContact ND1-OD2 2.71Å; H212-D214 PolarHBondContact ND1-OD2 3.25Å; H212-D214 PolarHBondContact O-N 3.38Å; H212-D214 VanDerWaalsContact O-N 3.08Å; H212-W215 WeakPolarHBondContact O-CB 3.38Å; H212-W215 PolarHBondContact O-N 3.26Å; H212-M216 PolarHBondContact O-N 2.94Å | ||
| 213 | P | 78.1 | Confident | 83.3 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.6 | -32.2 | -178 | 18.6 | -33 | 0 | 0 | 0 | 113.6 | F143 M216 L217 | F143-P213 HydrophobicContact CB-CG 4.49Å; F143-P213 HydrophobicContact CD2-CB 4.35Å; F143-P213 HydrophobicContact CD2-CG 3.8Å; F143-P213 HydrophobicContact CE2-CG 4.1Å; F143-P213 HydrophobicContact CG-CG 4.03Å; P213-M216 WeakPolarHBondContact O-CB 3.43Å; P213-M216 PolarHBondContact O-N 2.61Å; P213-L217 PolarHBondContact O-N 2.92Å |
| 214 | D | 83.6 | Confident | 83.4 | Confident | 98 Ų | 98 | 65.9 Ų | 65.9 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 175.7 | -51.3 | -60.2 | 0 | 0 | 0 | 113 | H212 L217 L218 | H212-D214 IonicContact CE1-OD2 3.21Å; H212-D214 PolarHBondContact CE1-OD2 2.98Å; H212-D214 IonicContact CG-OD2 3.98Å; H212-D214 IonicContact ND1-OD2 2.71Å; H212-D214 PolarHBondContact ND1-OD2 3.25Å; H212-D214 PolarHBondContact O-N 3.38Å; H212-D214 VanDerWaalsContact O-N 3.08Å; D214-L217 PolarHBondContact O-N 3.04Å; D214-L218 WeakPolarHBondContact O-CB 3.28Å; D214-L218 PolarHBondContact O-N 3.27Å |
| 215 | W | 85.6 | Confident | 83.7 | Confident | 160 Ų | 160 | 67.5 Ų | 67.5 | 61% | 0.606 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -69.9 | -35.1 | 174.4 | -67.8 | 117.3 | 0 | 0 | 0 | 111.2 | L211 H212 L218 L219 | L211-W215 HydrophobicContact CB-CB 4.21Å; L211-W215 HydrophobicContact CD2-CB 4.13Å; L211-W215 HydrophobicContact CG-CB 3.77Å; L211-W215 HydrophobicContact CG-CG 4.5Å; H212-W215 WeakPolarHBondContact O-CB 3.38Å; H212-W215 PolarHBondContact O-N 3.26Å; W215-L218 HydrophobicContact CE3-CD2 3.81Å; W215-L218 HydrophobicContact CZ3-CD2 3.72Å; W215-L219 VanDerWaalsContact O-CB 3.28Å; W215-L219 WeakPolarHBondContact O-CB 3.35Å; W215-L219 PolarHBondContact O-N 2.86Å |
| 216 | M | 84.6 | Confident | 84.1 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 168.3 | -83.9 | -145.7 | -55.9 | 0 | 0 | 112.4 | M145 H212 P213 L218 L219 F220 | M145-M216 HydrophobicContact CB-CE 4.41Å; M145-M216 HydrophobicContact CE-CE 3.43Å; M145-M216 VanDerWaalsContact CE-CE 3.43Å; M145-M216 HydrophobicContact CE-SD 4.3Å; H212-M216 PolarHBondContact O-N 2.94Å; P213-M216 WeakPolarHBondContact O-CB 3.43Å; P213-M216 PolarHBondContact O-N 2.61Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 2.69Å; M216-L219 WeakPolarHBondContact O-CB 3.47Å; M216-L219 PolarHBondContact O-N 3.22Å; M216-F220 WeakPolarHBondContact O-CD2 3.22Å; M216-F220 PolarHBondContact O-N 3.26Å |
| 217 | L | 88.3 | Confident | 84.5 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 176.5 | 176.2 | 64.8 | 0 | 0 | 0 | 110.5 | V42 I45 P213 D214 F220 F221 | V42-L217 HydrophobicContact CG1-CD1 4.3Å; I45-L217 HydrophobicContact CG2-CD1 3.77Å; P213-L217 PolarHBondContact O-N 2.92Å; D214-L217 PolarHBondContact O-N 3.04Å; L217-F220 PolarHBondContact O-N 2.74Å; L217-F221 VanDerWaalsContact O-CB 3.25Å; L217-F221 WeakPolarHBondContact O-CB 3.33Å; L217-F221 PolarHBondContact O-N 3.03Å |
| 218 | L | 91.3 | Very high | 85.1 | Confident | 80 Ų | 80 | 61 Ų | 61 | 42% | 0.419 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 175.4 | -172.3 | 66.4 | 0 | 0 | 0 | 112.1 | D214 W215 M216 F221 T222 | D214-L218 WeakPolarHBondContact O-CB 3.28Å; D214-L218 PolarHBondContact O-N 3.27Å; W215-L218 HydrophobicContact CE3-CD2 3.81Å; W215-L218 HydrophobicContact CZ3-CD2 3.72Å; M216-L218 VanDerWaalsContact C-N 3.32Å; M216-L218 PolarHBondContact O-N 2.69Å; L218-F221 PolarHBondContact O-N 3.17Å; L218-T222 HydrophobicContact CD1-CG2 4.13Å; L218-T222 HydrophobicContact CG-CG2 4.29Å; L218-T222 WeakPolarHBondContact O-CB 3.4Å; L218-T222 VanDerWaalsContact O-CG2 3.31Å; L218-T222 WeakPolarHBondContact O-CG2 3.26Å; L218-T222 PolarHBondContact O-N 3.06Å; L218-T222 PolarHBondContact O-OG1 2.75Å |
| 219 | L | 90.6 | Very high | 86.1 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 175.5 | -170.2 | 82.8 | 0 | 0 | 0 | 111.5 | F200 I203 R204 W215 M216 T222 H223 | F200-L219 HydrophobicContact CD2-CD2 3.87Å; F200-L219 HydrophobicContact CD2-CG 3.74Å; F200-L219 HydrophobicContact CE2-CD2 3.73Å; F200-L219 HydrophobicContact CE2-CG 3.82Å; I203-L219 HydrophobicContact CB-CD1 4.17Å; I203-L219 HydrophobicContact CD1-CD1 4.21Å; I203-L219 HydrophobicContact CG2-CD1 3.69Å; I203-L219 HydrophobicContact CG2-CD2 4.21Å; R204-L219 HydrophobicContact CB-CD2 4.38Å; W215-L219 VanDerWaalsContact O-CB 3.28Å; W215-L219 WeakPolarHBondContact O-CB 3.35Å; W215-L219 PolarHBondContact O-N 2.86Å; M216-L219 WeakPolarHBondContact O-CB 3.47Å; M216-L219 PolarHBondContact O-N 3.22Å; L219-T222 PolarHBondContact O-OG1 3.49Å; L219-H223 WeakPolarHBondContact O-CB 3.26Å; L219-H223 PolarHBondContact O-N 3.49Å |
| 220 | F | 91 | Very high | 87.5 | Confident | 11 Ų | 11 | 57 Ų | 57 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.1 | -88.9 | -77.1 | 0 | 0 | 0 | 112.2 | I45 F200 M216 L217 T224 | I45-F220 HydrophobicContact CD1-CD2 3.63Å; I45-F220 HydrophobicContact CD1-CE2 3.62Å; F200-F220 HydrophobicContact CE2-CD1 4.12Å; F200-F220 HydrophobicContact CE2-CE1 4.4Å; F200-F220 HydrophobicContact CE2-CG 4.24Å; F200-F220 AromaticContact CZ-CD1 3.81Å; F200-F220 HydrophobicContact CZ-CD1 3.81Å; F200-F220 AromaticContact CZ-CE1 3.65Å; F200-F220 HydrophobicContact CZ-CE1 3.65Å; F200-F220 HydrophobicContact CZ-CE2 4.4Å; F200-F220 HydrophobicContact CZ-CG 4.28Å; F200-F220 AromaticContact CZ-CZ 3.96Å; F200-F220 HydrophobicContact CZ-CZ 3.96Å; M216-F220 WeakPolarHBondContact O-CD2 3.22Å; M216-F220 PolarHBondContact O-N 3.26Å; L217-F220 PolarHBondContact O-N 2.74Å; F220-T224 WeakPolarHBondContact O-CB 3.48Å; F220-T224 WeakPolarHBondContact O-CG2 3.29Å; F220-T224 PolarHBondContact O-N 3.02Å; F220-T224 PolarHBondContact O-OG1 3.38Å |
| 221 | F | 93.6 | Very high | 88.9 | Confident | 92 Ų | 92 | 49 Ų | 49 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -50.9 | 178.2 | 177 | -91.8 | 0 | 0 | 0 | 111.4 | V42 L217 L218 T224 H225 | V42-F221 HydrophobicContact CG1-CB 4.32Å; V42-F221 HydrophobicContact CG1-CD2 4.21Å; L217-F221 VanDerWaalsContact O-CB 3.25Å; L217-F221 WeakPolarHBondContact O-CB 3.33Å; L217-F221 PolarHBondContact O-N 3.03Å; L218-F221 PolarHBondContact O-N 3.17Å; F221-T224 PolarHBondContact O-OG1 3.36Å; F221-H225 AromaticContact CD2-CD2 3.82Å; F221-H225 AromaticContact CD2-NE2 3.91Å; F221-H225 AromaticContact CE2-CD2 3.63Å; F221-H225 AromaticContact CE2-CE1 3.98Å; F221-H225 AromaticContact CE2-NE2 3.32Å; F221-H225 VanDerWaalsContact CE2-NE2 3.32Å; F221-H225 WeakPolarHBondContact CE2-NE2 3.4Å; F221-H225 AromaticContact CZ-CD2 3.84Å; F221-H225 AromaticContact CZ-CE1 3.91Å; F221-H225 AromaticContact CZ-NE2 3.66Å; F221-H225 VanDerWaalsContact O-CB 3.31Å; F221-H225 WeakPolarHBondContact O-CB 3.49Å; F221-H225 PolarHBondContact O-CD2 3.32Å; F221-H225 PolarHBondContact O-N 3.19Å |
| 222 | T | 93.9 | Very high | 90.2 | Very high | 68 Ų | 68 | 47.9 Ų | 47.9 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 179.9 | 52 | 0 | 0 | 0 | 0 | 112 | L218 L219 L226 | L218-T222 HydrophobicContact CD1-CG2 4.13Å; L218-T222 HydrophobicContact CG-CG2 4.29Å; L218-T222 WeakPolarHBondContact O-CB 3.4Å; L218-T222 VanDerWaalsContact O-CG2 3.31Å; L218-T222 WeakPolarHBondContact O-CG2 3.26Å; L218-T222 PolarHBondContact O-N 3.06Å; L218-T222 PolarHBondContact O-OG1 2.75Å; L219-T222 PolarHBondContact O-OG1 3.49Å; T222-L226 WeakPolarHBondContact O-CB 3.2Å; T222-L226 PolarHBondContact O-N 2.73Å |
| 223 | H | 94.6 | Very high | 91.1 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -54.6 | 174.5 | 172.9 | -94.4 | 0 | 0 | 0 | 112.2 | S197 F200 L219 H225 L226 T227 | S197-H223 PolarHBondContact OG-CE1 2.96Å; S197-H223 PolarHBondContact OG-NE2 2.86Å; F200-H223 HydrophobicContact CB-CB 4.29Å; F200-H223 WeakPolarHBondContact CB-CD2 3.46Å; F200-H223 HydrophobicContact CD2-CB 3.47Å; F200-H223 VanDerWaalsContact CD2-CB 3.47Å; F200-H223 AromaticContact CD2-CG 3.64Å; F200-H223 HydrophobicContact CE2-CB 4.04Å; F200-H223 HydrophobicContact CG-CB 4.02Å; F200-H223 AromaticContact CG-CD2 3.63Å; F200-H223 AromaticContact CG-CG 3.68Å; L219-H223 WeakPolarHBondContact O-CB 3.26Å; L219-H223 PolarHBondContact O-N 3.49Å; H223-H225 PolarHBondContact O-N 2.85Å; H223-L226 PolarHBondContact O-N 3.18Å; H223-T227 WeakPolarHBondContact O-CB 3.45Å; H223-T227 WeakPolarHBondContact O-CG2 3.39Å; H223-T227 PolarHBondContact O-N 2.9Å; H223-T227 PolarHBondContact O-OG1 2.57Å |
| 224 | T | 93.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | -177.3 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | L38 V42 F220 F221 T227 V228 | L38-T224 WeakPolarHBondContact O-CG2 3.29Å; V42-T224 HydrophobicContact CG2-CG2 4.02Å; V42-T224 VanDerWaalsContact CG2-OG1 3.3Å; V42-T224 WeakPolarHBondContact CG2-OG1 3.16Å; F220-T224 WeakPolarHBondContact O-CB 3.48Å; F220-T224 WeakPolarHBondContact O-CG2 3.29Å; F220-T224 PolarHBondContact O-N 3.02Å; F220-T224 PolarHBondContact O-OG1 3.38Å; F221-T224 PolarHBondContact O-OG1 3.36Å; T224-T227 WeakPolarHBondContact CA-OG1 3.06Å; T224-T227 PolarHBondContact O-OG1 3.02Å; T224-V228 VanDerWaalsContact O-CB 3.22Å; T224-V228 WeakPolarHBondContact O-CB 3.49Å; T224-V228 VanDerWaalsContact O-CG2 3.26Å; T224-V228 WeakPolarHBondContact O-CG2 3.3Å; T224-V228 PolarHBondContact O-N 3.47Å |
| 225 | H | 93.7 | Very high | 92.1 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 29% | 0.292 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.7 | -51.2 | 172.5 | -87.6 | -107.1 | 0 | 0 | 0 | 111.7 | Y39 F221 H223 T227 T229 | Y39-H225 AromaticContact CE1-CD2 3.68Å; Y39-H225 AromaticContact CE1-NE2 3.57Å; F221-H225 AromaticContact CD2-CD2 3.82Å; F221-H225 AromaticContact CD2-NE2 3.91Å; F221-H225 AromaticContact CE2-CD2 3.63Å; F221-H225 AromaticContact CE2-CE1 3.98Å; F221-H225 AromaticContact CE2-NE2 3.32Å; F221-H225 VanDerWaalsContact CE2-NE2 3.32Å; F221-H225 WeakPolarHBondContact CE2-NE2 3.4Å; F221-H225 AromaticContact CZ-CD2 3.84Å; F221-H225 AromaticContact CZ-CE1 3.91Å; F221-H225 AromaticContact CZ-NE2 3.66Å; F221-H225 VanDerWaalsContact O-CB 3.31Å; F221-H225 WeakPolarHBondContact O-CB 3.49Å; F221-H225 PolarHBondContact O-CD2 3.32Å; F221-H225 PolarHBondContact O-N 3.19Å; H223-H225 PolarHBondContact O-N 2.85Å; H225-T227 VanDerWaalsContact C-N 3.32Å; H225-T227 PolarHBondContact O-N 3.31Å; H225-T229 VanDerWaalsContact O-CB 3.24Å; H225-T229 WeakPolarHBondContact O-CB 3.3Å; H225-T229 VanDerWaalsContact O-CG2 3.28Å; H225-T229 WeakPolarHBondContact O-CG2 3.32Å; H225-T229 PolarHBondContact O-N 3.43Å; H225-T229 PolarHBondContact O-OG1 3.42Å |
| 226 | L | 94.7 | Very high | 92.2 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 48% | 0.476 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -72.6 | -23.8 | -172.8 | -165.4 | 60.9 | 0 | 0 | 0 | 113.3 | N192 L196 T222 H223 V230 | N192-L226 PolarHBondContact ND2-O 2.68Å; L196-L226 HydrophobicContact CD1-CB 4.02Å; L196-L226 HydrophobicContact CD1-CD2 4.02Å; L196-L226 HydrophobicContact CD1-CG 3.64Å; L196-L226 WeakPolarHBondContact CD1-O 3.16Å; L196-L226 HydrophobicContact CD2-CD2 3.64Å; L196-L226 HydrophobicContact CD2-CG 4.23Å; L196-L226 HydrophobicContact CG-CD2 4.49Å; T222-L226 WeakPolarHBondContact O-CB 3.2Å; T222-L226 PolarHBondContact O-N 2.73Å; H223-L226 PolarHBondContact O-N 3.18Å; L226-V230 HydrophobicContact CD1-CG2 4.32Å; L226-V230 WeakPolarHBondContact O-CB 3.48Å; L226-V230 WeakPolarHBondContact O-CG2 3.44Å |
| 227 | T | 94.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.8 | -55.3 | 170.8 | 51.4 | 0 | 0 | 0 | 0 | 112.2 | E193 L196 H223 T224 H225 T231 | E193-T227 WeakPolarHBondContact OE2-CB 3.39Å; E193-T227 WeakPolarHBondContact OE2-CG2 3.29Å; L196-T227 HydrophobicContact CB-CG2 3.78Å; L196-T227 HydrophobicContact CD1-CG2 3.86Å; H223-T227 WeakPolarHBondContact O-CB 3.45Å; H223-T227 WeakPolarHBondContact O-CG2 3.39Å; H223-T227 PolarHBondContact O-N 2.9Å; H223-T227 PolarHBondContact O-OG1 2.57Å; T224-T227 WeakPolarHBondContact CA-OG1 3.06Å; T224-T227 PolarHBondContact O-OG1 3.02Å; H225-T227 VanDerWaalsContact C-N 3.32Å; H225-T227 PolarHBondContact O-N 3.31Å; T227-T231 VanDerWaalsContact O-CB 3.25Å; T227-T231 WeakPolarHBondContact O-CB 3.33Å; T227-T231 PolarHBondContact O-N 2.89Å; T227-T231 PolarHBondContact O-OG1 2.96Å |
| 228 | V | 94.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -78.9 | -38.1 | -169.6 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | A35 L38 Y39 T224 T231 L232 | A35-V228 HydrophobicContact CB-CG1 3.68Å; L38-V228 HydrophobicContact CB-CG2 3.8Å; L38-V228 HydrophobicContact CD1-CG2 3.73Å; L38-V228 HydrophobicContact CG-CG2 4.41Å; Y39-V228 HydrophobicContact CD2-CG1 4.31Å; Y39-V228 HydrophobicContact CE2-CB 3.93Å; Y39-V228 HydrophobicContact CE2-CG1 3.53Å; T224-V228 VanDerWaalsContact O-CB 3.22Å; T224-V228 WeakPolarHBondContact O-CB 3.49Å; T224-V228 VanDerWaalsContact O-CG2 3.26Å; T224-V228 WeakPolarHBondContact O-CG2 3.3Å; T224-V228 PolarHBondContact O-N 3.47Å; V228-T231 PolarHBondContact O-N 3.26Å; V228-L232 HydrophobicContact CG1-CD1 4.1Å; V228-L232 HydrophobicContact CG1-CG 4.25Å; V228-L232 WeakPolarHBondContact O-CB 3.36Å; V228-L232 WeakPolarHBondContact O-CG 3.01Å; V228-L232 PolarHBondContact O-N 2.74Å |
| 229 | T | 93.1 | Very high | 91.7 | Very high | 65 Ų | 65 | 34 Ų | 34 | 40% | 0.399 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.2 | -42 | 177.1 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | Y39 H225 G233 | Y39-T229 VanDerWaalsContact OH-CG2 3.23Å; Y39-T229 WeakPolarHBondContact OH-CG2 3.48Å; H225-T229 VanDerWaalsContact O-CB 3.24Å; H225-T229 WeakPolarHBondContact O-CB 3.3Å; H225-T229 VanDerWaalsContact O-CG2 3.28Å; H225-T229 WeakPolarHBondContact O-CG2 3.32Å; H225-T229 PolarHBondContact O-N 3.43Å; H225-T229 PolarHBondContact O-OG1 3.42Å; T229-G233 PolarHBondContact O-N 2.98Å |
| 230 | V | 94.2 | Very high | 91.1 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.3 | -44.8 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | N192 L226 L232 G233 L234 | N192-V230 HydrophobicContact CB-CG1 4.48Å; L226-V230 HydrophobicContact CD1-CG2 4.32Å; L226-V230 WeakPolarHBondContact O-CB 3.48Å; L226-V230 WeakPolarHBondContact O-CG2 3.44Å; V230-L232 PolarHBondContact O-N 2.95Å; V230-G233 PolarHBondContact O-N 2.78Å; V230-L234 HydrophobicContact CG1-CD1 3.7Å; V230-L234 HydrophobicContact CG1-CG 4.29Å; V230-L234 WeakPolarHBondContact O-CB 3.5Å; V230-L234 VanDerWaalsContact O-CG 3.26Å; V230-L234 WeakPolarHBondContact O-CG 3.36Å; V230-L234 PolarHBondContact O-N 3.42Å |
| 231 | T | 94.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.7 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | V68 Y69 L72 A189 T227 V228 L235 | V68-T231 HydrophobicContact CG1-CG2 4.12Å; Y69-T231 HydrophobicContact CE1-CG2 4.36Å; Y69-T231 PolarHBondContact OH-OG1 3.34Å; L72-T231 HydrophobicContact CD1-CG2 4.5Å; L72-T231 HydrophobicContact CD2-CG2 4.27Å; A189-T231 HydrophobicContact CB-CG2 4.23Å; T227-T231 VanDerWaalsContact O-CB 3.25Å; T227-T231 WeakPolarHBondContact O-CB 3.33Å; T227-T231 PolarHBondContact O-N 2.89Å; T227-T231 PolarHBondContact O-OG1 2.96Å; V228-T231 PolarHBondContact O-N 3.26Å; T231-L235 HydrophobicContact CG2-CD1 3.87Å; T231-L235 WeakPolarHBondContact O-CB 3.45Å; T231-L235 WeakPolarHBondContact O-CD1 3.46Å; T231-L235 WeakPolarHBondContact O-CG 3.5Å; T231-L235 PolarHBondContact O-N 3.05Å |
| 232 | L | 93.5 | Very high | 88.9 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.6 | -71.1 | -179.3 | 0 | 0 | 0 | 111.9 | V4 I31 L32 A35 V228 V230 L234 L235 L236 | V4-L232 HydrophobicContact CG1-CD1 4.4Å; V4-L232 HydrophobicContact CG2-CD1 3.91Å; I31-L232 HydrophobicContact CG2-CD2 4.05Å; L32-L232 HydrophobicContact CD2-CD1 4.35Å; L32-L232 HydrophobicContact CD2-CD2 3.79Å; A35-L232 HydrophobicContact CB-CD1 3.95Å; A35-L232 HydrophobicContact CB-CD2 4.1Å; A35-L232 HydrophobicContact CB-CG 4.28Å; V228-L232 HydrophobicContact CG1-CD1 4.1Å; V228-L232 HydrophobicContact CG1-CG 4.25Å; V228-L232 WeakPolarHBondContact O-CB 3.36Å; V228-L232 WeakPolarHBondContact O-CG 3.01Å; V228-L232 PolarHBondContact O-N 2.74Å; V230-L232 PolarHBondContact O-N 2.95Å; L232-L234 PolarHBondContact O-N 3.08Å; L232-L235 PolarHBondContact O-N 3.01Å; L232-L235 VanDerWaalsContact O-N 3.15Å; L232-L236 HydrophobicContact CB-CD1 4.18Å; L232-L236 HydrophobicContact CD2-CD1 4.34Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.22Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.15Å |
| 233 | G | 92.1 | Very high | 87 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.4 | -53.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T229 V230 L235 L236 V237 | T229-G233 PolarHBondContact O-N 2.98Å; V230-G233 PolarHBondContact O-N 2.78Å; G233-L235 PolarHBondContact O-N 3.1Å; G233-L236 PolarHBondContact O-N 2.83Å; G233-V237 VanDerWaalsContact O-CB 3.22Å; G233-V237 WeakPolarHBondContact O-CB 3.2Å; G233-V237 WeakPolarHBondContact O-CG2 3.44Å; G233-V237 PolarHBondContact O-N 3.18Å |
| 234 | L | 92.1 | Very high | 84.9 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.199 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -26.2 | 178.5 | -68.5 | 169.5 | 0 | 0 | 0 | 113.6 | Y185 I188 A189 V230 L232 P238 | Y185-L234 WeakPolarHBondContact CB-O 3.36Å; Y185-L234 HydrophobicContact CD1-CD2 4.06Å; I188-L234 HydrophobicContact CB-CD1 4.17Å; I188-L234 HydrophobicContact CG2-CD1 3.69Å; I188-L234 HydrophobicContact CG2-CD2 4.4Å; A189-L234 HydrophobicContact CB-CD1 3.98Å; V230-L234 HydrophobicContact CG1-CD1 3.7Å; V230-L234 HydrophobicContact CG1-CG 4.29Å; V230-L234 WeakPolarHBondContact O-CB 3.5Å; V230-L234 VanDerWaalsContact O-CG 3.26Å; V230-L234 WeakPolarHBondContact O-CG 3.36Å; V230-L234 PolarHBondContact O-N 3.42Å; L232-L234 PolarHBondContact O-N 3.08Å; L234-P238 WeakPolarHBondContact O-CD 3.47Å; L234-P238 WeakPolarHBondContact O-CG 3.11Å |
| 235 | L | 89.5 | Confident | 83 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -98.8 | -15.2 | -177.6 | -65.2 | 174.7 | 0 | 0 | 0 | 114.7 | I31 L72 M186 T231 L232 G233 K239 | I31-L235 HydrophobicContact CD1-CD1 4.37Å; I31-L235 HydrophobicContact CG2-CD1 4.34Å; L72-L235 HydrophobicContact CD1-CD1 3.85Å; L72-L235 HydrophobicContact CD2-CD1 4.19Å; L72-L235 HydrophobicContact CG-CD1 4.16Å; M186-L235 HydrophobicContact CE-CD2 3.81Å; M186-L235 HydrophobicContact CG-CD2 3.6Å; T231-L235 HydrophobicContact CG2-CD1 3.87Å; T231-L235 WeakPolarHBondContact O-CB 3.45Å; T231-L235 WeakPolarHBondContact O-CD1 3.46Å; T231-L235 WeakPolarHBondContact O-CG 3.5Å; T231-L235 PolarHBondContact O-N 3.05Å; L232-L235 PolarHBondContact O-N 3.01Å; L232-L235 VanDerWaalsContact O-N 3.15Å; G233-L235 PolarHBondContact O-N 3.1Å; L235-K239 WeakPolarHBondContact O-CD 3.48Å; L235-K239 WeakPolarHBondContact O-CE 3.32Å; L235-K239 PolarHBondContact O-NZ 3Å |
| 236 | L | 89.3 | Confident | 80.6 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -113.6 | -43.5 | -176.5 | -62.9 | -179.7 | 0 | 0 | 0 | 112.7 | I11 L28 L32 L232 G233 K239 F240 | I11-L236 HydrophobicContact CD1-CD2 3.58Å; L28-L236 HydrophobicContact CD1-CD2 3.98Å; L28-L236 HydrophobicContact CD2-CD2 4.32Å; L28-L236 HydrophobicContact CG-CD2 4.35Å; L32-L236 HydrophobicContact CD2-CD1 4.38Å; L232-L236 HydrophobicContact CB-CD1 4.18Å; L232-L236 HydrophobicContact CD2-CD1 4.34Å; L232-L236 WeakPolarHBondContact O-CB 3.44Å; L232-L236 VanDerWaalsContact O-CG 3.22Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.15Å; G233-L236 PolarHBondContact O-N 2.83Å; L236-K239 WeakPolarHBondContact O-CA 3.3Å; L236-K239 WeakPolarHBondContact O-CB 3.3Å; L236-K239 PolarHBondContact O-N 3.49Å; L236-F240 HydrophobicContact CB-CD2 4.12Å; L236-F240 HydrophobicContact CB-CE2 4.11Å; L236-F240 HydrophobicContact CD2-CE2 4.28Å; L236-F240 WeakPolarHBondContact O-CD2 3.25Å; L236-F240 PolarHBondContact O-N 3.42Å |
| 237 | V | 88.3 | Confident | 78.2 | Confident | 74 Ų | 74 | 49 Ų | 49 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | -176.9 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | G233 K239 F240 L241 | G233-V237 VanDerWaalsContact O-CB 3.22Å; G233-V237 WeakPolarHBondContact O-CB 3.2Å; G233-V237 WeakPolarHBondContact O-CG2 3.44Å; G233-V237 PolarHBondContact O-N 3.18Å; V237-K239 PolarHBondContact O-N 3.49Å; V237-K239 VanDerWaalsContact O-N 3.1Å; V237-F240 PolarHBondContact O-N 2.93Å; V237-L241 HydrophobicContact CG1-CD1 3.42Å; V237-L241 VanDerWaalsContact CG1-CD1 3.42Å; V237-L241 HydrophobicContact CG1-CG 3.81Å; V237-L241 WeakPolarHBondContact O-CB 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.18Å; V237-L241 PolarHBondContact O-N 3.46Å |
| 238 | P | 83.9 | Confident | 75.7 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67 | -8.1 | 174.5 | -21.4 | 34.9 | 0 | 0 | 0 | 115.1 | Y185 L234 F242 | Y185-P238 HydrophobicContact CD1-CG 4.45Å; Y185-P238 HydrophobicContact CD2-CB 4.33Å; Y185-P238 HydrophobicContact CD2-CG 3.97Å; Y185-P238 HydrophobicContact CE1-CG 4.37Å; Y185-P238 HydrophobicContact CE2-CB 4.05Å; Y185-P238 HydrophobicContact CE2-CG 3.88Å; Y185-P238 HydrophobicContact CG-CG 4.26Å; L234-P238 WeakPolarHBondContact O-CD 3.47Å; L234-P238 WeakPolarHBondContact O-CG 3.11Å; P238-F242 WeakPolarHBondContact O-CD2 3.29Å |
| 239 | K | 81.1 | Confident | 73.4 | Confident | 22 Ų | 22 | 61.9 Ų | 61.9 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -97.3 | -41.1 | 175.1 | -65.8 | 172.5 | -173.5 | 150 | 0 | 111.8 | S23 L28 E182 L235 L236 V237 A243 | S23-K239 WeakPolarHBondContact OG-CE 3.14Å; S23-K239 PolarHBondContact OG-NZ 3.25Å; L28-K239 HydrophobicContact CD2-CD 4.23Å; E182-K239 IonicContact OE1-NZ 2.95Å; L235-K239 WeakPolarHBondContact O-CD 3.48Å; L235-K239 WeakPolarHBondContact O-CE 3.32Å; L235-K239 PolarHBondContact O-NZ 3Å; L236-K239 WeakPolarHBondContact O-CA 3.3Å; L236-K239 WeakPolarHBondContact O-CB 3.3Å; L236-K239 PolarHBondContact O-N 3.49Å; V237-K239 PolarHBondContact O-N 3.49Å; V237-K239 VanDerWaalsContact O-N 3.1Å; K239-A243 WeakPolarHBondContact O-CB 3.38Å; K239-A243 PolarHBondContact O-N 3.3Å |
| 240 | F | 78.6 | Confident | 71.4 | Confident | 61 Ų | 61 | 60 Ų | 60 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.7 | -42.2 | -179.2 | -70.4 | -64.7 | 0 | 0 | 0 | 112.8 | L10 I11 F14 L236 V237 A243 G244 | L10-F240 HydrophobicContact CB-CE1 4.11Å; L10-F240 HydrophobicContact CB-CZ 3.9Å; L10-F240 HydrophobicContact CD1-CZ 4.48Å; I11-F240 HydrophobicContact CD1-CZ 4.45Å; I11-F240 HydrophobicContact CG1-CZ 3.98Å; F14-F240 HydrophobicContact CD2-CE1 4.24Å; L236-F240 HydrophobicContact CB-CD2 4.12Å; L236-F240 HydrophobicContact CB-CE2 4.11Å; L236-F240 HydrophobicContact CD2-CE2 4.28Å; L236-F240 WeakPolarHBondContact O-CD2 3.25Å; L236-F240 PolarHBondContact O-N 3.42Å; V237-F240 PolarHBondContact O-N 2.93Å; F240-A243 PolarHBondContact O-N 3.49Å; F240-G244 PolarHBondContact O-N 2.84Å |
| 241 | L | 74 | Confident | 69.3 | Low | 117 Ų | 117 | 63.9 Ų | 63.9 | 61% | 0.613 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63 | -49.7 | 177 | -66.1 | -175.6 | 0 | 0 | 0 | 111.2 | V237 A243 G244 | V237-L241 HydrophobicContact CG1-CD1 3.42Å; V237-L241 VanDerWaalsContact CG1-CD1 3.42Å; V237-L241 HydrophobicContact CG1-CG 3.81Å; V237-L241 WeakPolarHBondContact O-CB 3.31Å; V237-L241 WeakPolarHBondContact O-CG 3.18Å; V237-L241 PolarHBondContact O-N 3.46Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.33Å; L241-G244 PolarHBondContact O-N 3.06Å; L241-G244 VanDerWaalsContact O-N 3.1Å |
| 242 | F | 63.4 | Low | 67.1 | Low | 116 Ų | 116 | 66.9 Ų | 66.9 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.4 | -25.1 | 177.3 | -76.6 | -84.9 | 0 | 0 | 0 | 113.1 | P238 G244 T245 H246 | P238-F242 WeakPolarHBondContact O-CD2 3.29Å; F242-G244 PolarHBondContact O-N 2.8Å; F242-T245 PolarHBondContact O-N 3.18Å; F242-T245 VanDerWaalsContact O-N 3.14Å; F242-H246 WeakPolarHBondContact O-CA 3.21Å; F242-H246 VanDerWaalsContact O-CB 3.24Å; F242-H246 WeakPolarHBondContact O-CB 3.5Å; F242-H246 PolarHBondContact O-N 3.28Å |
| 243 | A | 54.7 | Low | 65 | Low | 36 Ų | 36 | 69 Ų | 69 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -25.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K239 F240 L241 | K239-A243 WeakPolarHBondContact O-CB 3.38Å; K239-A243 PolarHBondContact O-N 3.3Å; F240-A243 PolarHBondContact O-N 3.49Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.33Å |
| 244 | G | 50.3 | Low | 63.2 | Low | 68 Ų | 68 | 73 Ų | 73 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -77.5 | -25.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F240 L241 F242 | F240-G244 PolarHBondContact O-N 2.84Å; L241-G244 PolarHBondContact O-N 3.06Å; L241-G244 VanDerWaalsContact O-N 3.1Å; F242-G244 PolarHBondContact O-N 2.8Å |
| 245 | T | 51.9 | Low | 61 | Low | 59 Ų | 59 | 73.8 Ų | 73.8 | 36% | 0.362 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -101.2 | -16.9 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 113.6 | F242 M247 R248 D249 | F242-T245 PolarHBondContact O-N 3.18Å; F242-T245 VanDerWaalsContact O-N 3.14Å; T245-M247 PolarHBondContact O-N 2.87Å; T245-R248 PolarHBondContact O-N 3.38Å; T245-D249 WeakPolarHBondContact CB-OD2 3.36Å; T245-D249 PolarHBondContact O-N 3.23Å; T245-D249 PolarHBondContact OG1-OD2 2.94Å |
| 246 | H | 44.8 | Very low | 58.9 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 27% | 0.269 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -51.3 | -35.2 | -175.1 | -130.2 | -90.8 | 0 | 0 | 0 | 113.5 | F242 R248 D249 D250 | F242-H246 WeakPolarHBondContact O-CA 3.21Å; F242-H246 VanDerWaalsContact O-CB 3.24Å; F242-H246 WeakPolarHBondContact O-CB 3.5Å; F242-H246 PolarHBondContact O-N 3.28Å; H246-R248 PolarHBondContact O-N 2.89Å; H246-D249 PolarHBondContact O-N 2.91Å; H246-D250 IonicContact CE1-OD1 2.68Å; H246-D250 PolarHBondContact CE1-OD1 3.37Å; H246-D250 IonicContact CE1-OD2 3.93Å; H246-D250 IonicContact CG-OD1 3.93Å; H246-D250 IonicContact ND1-OD1 3.05Å; H246-D250 PolarHBondContact ND1-OD1 3Å; H246-D250 IonicContact ND1-OD2 2.67Å; H246-D250 PolarHBondContact ND1-OD2 3.41Å; H246-D250 WeakPolarHBondContact O-CB 3.21Å; H246-D250 PolarHBondContact O-N 3.16Å |
| 247 | M | 44.4 | Very low | 56.9 | Low | 166 Ų | 166 | 85.9 Ų | 85.9 | 82% | 0.818 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.6 | -21.3 | 177.3 | -82 | -167 | 68.6 | 0 | 0 | 114.3 | T245 I251 | T245-M247 PolarHBondContact O-N 2.87Å; M247-I251 WeakPolarHBondContact O-CD1 3.23Å |
| 248 | R | 42.5 | Very low | 54.8 | Low | 205 Ų | 205 | 86.9 Ų | 86.9 | 77% | 0.774 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -98.4 | -39.1 | 173.1 | -79.5 | 165.7 | 50.4 | 162.8 | -4.5 | 111.7 | T245 H246 I251 | T245-R248 PolarHBondContact O-N 3.38Å; H246-R248 PolarHBondContact O-N 2.89Å; R248-I251 PolarHBondContact O-N 3.49Å |
| 249 | D | 45.4 | Very low | 53.1 | Low | 73 Ų | 73 | 92.1 Ų | 92.1 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -81.9 | -25.3 | -174.5 | -56.5 | -31.9 | 0 | 0 | 0 | 113.1 | T245 H246 I251 A252 S253 | T245-D249 WeakPolarHBondContact CB-OD2 3.36Å; T245-D249 PolarHBondContact O-N 3.23Å; T245-D249 PolarHBondContact OG1-OD2 2.94Å; H246-D249 PolarHBondContact O-N 2.91Å; D249-I251 VanDerWaalsContact C-N 3.33Å; D249-A252 PolarHBondContact O-N 2.86Å; D249-S253 VanDerWaalsContact O-CB 3.32Å; D249-S253 WeakPolarHBondContact O-CB 3.34Å; D249-S253 PolarHBondContact O-N 2.81Å; D249-S253 PolarHBondContact O-OG 3.31Å |
| 250 | D | 51.3 | Low | 51.6 | Low | 27 Ų | 27 | 95.3 Ų | 95.3 | 14% | 0.144 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 167.6 | -88.9 | -14.5 | 0 | 0 | 0 | 109.9 | K18 H246 A252 S253 E254 | K18-D250 IonicContact NZ-OD2 3.73Å; K18-D250 PolarHBondContact NZ-OD2 3.46Å; H246-D250 IonicContact CE1-OD1 2.68Å; H246-D250 PolarHBondContact CE1-OD1 3.37Å; H246-D250 IonicContact CE1-OD2 3.93Å; H246-D250 IonicContact CG-OD1 3.93Å; H246-D250 IonicContact ND1-OD1 3.05Å; H246-D250 PolarHBondContact ND1-OD1 3Å; H246-D250 IonicContact ND1-OD2 2.67Å; H246-D250 PolarHBondContact ND1-OD2 3.41Å; H246-D250 WeakPolarHBondContact O-CB 3.21Å; H246-D250 PolarHBondContact O-N 3.16Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 2.84Å; D250-S253 PolarHBondContact O-N 2.88Å; D250-E254 WeakPolarHBondContact O-CB 3.07Å; D250-E254 WeakPolarHBondContact O-CG 3.06Å; D250-E254 PolarHBondContact O-N 2.84Å |
| 251 | I | 50.3 | Low | 49.9 | Very low | 125 Ų | 125 | 97.3 Ų | 97.3 | 64% | 0.641 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -39 | -177.7 | -58.6 | 174.5 | 0 | 0 | 0 | 110.6 | M247 R248 D249 A255 | M247-I251 WeakPolarHBondContact O-CD1 3.23Å; R248-I251 PolarHBondContact O-N 3.49Å; D249-I251 VanDerWaalsContact C-N 3.33Å; I251-A255 WeakPolarHBondContact O-CB 3.37Å; I251-A255 PolarHBondContact O-N 3.41Å |
| 252 | A | 47.8 | Very low | 48.6 | Very low | 65 Ų | 65 | 97.8 Ų | 97.8 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76.6 | -32.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D249 D250 Y256 | D249-A252 PolarHBondContact O-N 2.86Å; D250-A252 VanDerWaalsContact C-N 3.27Å; D250-A252 PolarHBondContact O-N 2.84Å; A252-Y256 WeakPolarHBondContact O-CB 3.35Å; A252-Y256 PolarHBondContact O-N 3.19Å; A252-Y256 VanDerWaalsContact O-N 3.16Å |
| 253 | S | 49.7 | Very low | 47.9 | Very low | 59 Ų | 59 | 95.8 Ų | 95.8 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -92.2 | -33.9 | -176.3 | 58.7 | 0 | 0 | 0 | 0 | 114 | D249 D250 A255 Y256 E257 | D249-S253 VanDerWaalsContact O-CB 3.32Å; D249-S253 WeakPolarHBondContact O-CB 3.34Å; D249-S253 PolarHBondContact O-N 2.81Å; D249-S253 PolarHBondContact O-OG 3.31Å; D250-S253 PolarHBondContact O-N 2.88Å; S253-A255 VanDerWaalsContact C-N 3.31Å; S253-Y256 PolarHBondContact O-N 3.41Å; S253-E257 WeakPolarHBondContact O-CB 3.4Å; S253-E257 WeakPolarHBondContact O-CG 3.45Å; S253-E257 PolarHBondContact O-N 2.91Å |
| 254 | E | 53 | Low | 47.5 | Very low | 112 Ų | 112 | 104 Ų | 104 | 52% | 0.523 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.7 | -40.3 | 165.5 | -67.7 | -179.5 | 169.9 | 0 | 0 | 109.2 | K18 D250 D258 | K18-E254 IonicContact NZ-OE1 2.75Å; K18-E254 PolarHBondContact NZ-OE1 2.97Å; K18-E254 IonicContact NZ-OE2 3.67Å; D250-E254 WeakPolarHBondContact O-CB 3.07Å; D250-E254 WeakPolarHBondContact O-CG 3.06Å; D250-E254 PolarHBondContact O-N 2.84Å; E254-D258 WeakPolarHBondContact O-CB 3.27Å; E254-D258 PolarHBondContact O-N 3.31Å |
| 255 | A | 46.2 | Very low | 47 | Very low | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | I251 S253 E259 | I251-A255 WeakPolarHBondContact O-CB 3.37Å; I251-A255 PolarHBondContact O-N 3.41Å; S253-A255 VanDerWaalsContact C-N 3.31Å; A255-E259 PolarHBondContact O-N 2.95Å |
| 256 | Y | 45.1 | Very low | 46.7 | Very low | 143 Ų | 143 | 103.7 Ų | 103.7 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.2 | -38.2 | 179.5 | -175.7 | -103.5 | 0 | 0 | 0 | 113 | A252 S253 D258 L260 | A252-Y256 WeakPolarHBondContact O-CB 3.35Å; A252-Y256 PolarHBondContact O-N 3.19Å; A252-Y256 VanDerWaalsContact O-N 3.16Å; S253-Y256 PolarHBondContact O-N 3.41Å; Y256-D258 VanDerWaalsContact C-N 3.35Å; Y256-L260 HydrophobicContact CD1-CD1 3.94Å; Y256-L260 HydrophobicContact CE1-CD1 3.51Å; Y256-L260 HydrophobicContact CE1-CG 4.49Å; Y256-L260 WeakPolarHBondContact O-CB 3.44Å; Y256-L260 WeakPolarHBondContact O-CG 3.5Å; Y256-L260 PolarHBondContact O-N 3.49Å; Y256-L260 VanDerWaalsContact O-N 3.14Å |
| 257 | E | 47.9 | Very low | 46.8 | Very low | 129 Ų | 129 | 104.4 Ų | 104.4 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.2 | -34.2 | 170.3 | -68.2 | -85.4 | 120.1 | 0 | 0 | 110.7 | S253 L260 D261 | S253-E257 WeakPolarHBondContact O-CB 3.4Å; S253-E257 WeakPolarHBondContact O-CG 3.45Å; S253-E257 PolarHBondContact O-N 2.91Å; E257-L260 PolarHBondContact O-N 2.83Å; E257-D261 PolarHBondContact O-N 3Å |
| 258 | D | 45.2 | Very low | 46.7 | Very low | 95 Ų | 95 | 105 Ų | 105 | 51% | 0.508 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.8 | -41.1 | 174.3 | -166.7 | 58 | 0 | 0 | 0 | 112.2 | E254 Y256 L260 D261 M262 | E254-D258 WeakPolarHBondContact O-CB 3.27Å; E254-D258 PolarHBondContact O-N 3.31Å; Y256-D258 VanDerWaalsContact C-N 3.35Å; D258-L260 VanDerWaalsContact C-N 3.28Å; D258-L260 PolarHBondContact O-N 3.24Å; D258-D261 PolarHBondContact O-N 2.04Å; D258-M262 VanDerWaalsContact O-CB 3.23Å; D258-M262 WeakPolarHBondContact O-CB 3.39Å; D258-M262 PolarHBondContact O-N 3.44Å; D258-M262 WeakPolarHBondContact OD2-CE 3.19Å |
| 259 | E | 47.4 | Very low | 46.7 | Very low | 145 Ų | 145 | 101.9 Ų | 101.9 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.4 | -40.2 | 169.2 | -84.6 | -160.4 | 123.6 | 0 | 0 | 112 | A255 M262 G263 | A255-E259 PolarHBondContact O-N 2.95Å; E259-M262 WeakPolarHBondContact O-CB 3.26Å; E259-M262 PolarHBondContact O-N 3.02Å; E259-G263 PolarHBondContact O-N 2.8Å |
| 260 | L | 49.5 | Very low | 46.6 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.3 | -34.7 | 179.8 | -75.7 | 173.4 | 0 | 0 | 0 | 113.3 | Y256 E257 D258 R264 | Y256-L260 HydrophobicContact CD1-CD1 3.94Å; Y256-L260 HydrophobicContact CE1-CD1 3.51Å; Y256-L260 HydrophobicContact CE1-CG 4.49Å; Y256-L260 WeakPolarHBondContact O-CB 3.44Å; Y256-L260 WeakPolarHBondContact O-CG 3.5Å; Y256-L260 PolarHBondContact O-N 3.49Å; Y256-L260 VanDerWaalsContact O-N 3.14Å; E257-L260 PolarHBondContact O-N 2.83Å; D258-L260 VanDerWaalsContact C-N 3.28Å; D258-L260 PolarHBondContact O-N 3.24Å; L260-R264 WeakPolarHBondContact O-CB 3.47Å; L260-R264 PolarHBondContact O-N 3.38Å |
| 261 | D | 43.2 | Very low | 46.2 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -80.7 | -23.7 | 171.5 | -107 | 0.5 | 0 | 0 | 0 | 112.3 | E257 D258 R264 S265 | E257-D261 PolarHBondContact O-N 3Å; D258-D261 PolarHBondContact O-N 2.04Å; D261-R264 CarbonylContact O-C 3.54Å; D261-R264 PolarHBondContact O-N 2.99Å; D261-R264 VanDerWaalsContact O-N 3.11Å; D261-S265 WeakPolarHBondContact O-CA 3.27Å; D261-S265 WeakPolarHBondContact O-CB 3.25Å; D261-S265 PolarHBondContact O-N 3.37Å |
| 262 | M | 47.4 | Very low | 45.8 | Very low | 126 Ų | 126 | 104.2 Ų | 104.2 | 62% | 0.621 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -45.3 | 165.8 | -152.7 | 71.9 | 61.2 | 0 | 0 | 110 | D258 E259 R264 | D258-M262 VanDerWaalsContact O-CB 3.23Å; D258-M262 WeakPolarHBondContact O-CB 3.39Å; D258-M262 PolarHBondContact O-N 3.44Å; D258-M262 WeakPolarHBondContact OD2-CE 3.19Å; E259-M262 WeakPolarHBondContact O-CB 3.26Å; E259-M262 PolarHBondContact O-N 3.02Å; M262-R264 PolarHBondContact O-N 3.36Å |
| 263 | G | 47.6 | Very low | 45.6 | Very low | 74 Ų | 74 | 106.1 Ų | 106.1 | 76% | 0.763 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -7.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114.9 | E259 | E259-G263 PolarHBondContact O-N 2.8Š|
| 264 | R | 45.6 | Very low | 45.3 | Very low | 210 Ų | 210 | 108.6 Ų | 108.6 | 79% | 0.792 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -26.1 | -176.3 | -154.5 | 172.2 | -155.1 | 140.8 | 10.5 | 114.6 | L260 D261 M262 G266 | L260-R264 WeakPolarHBondContact O-CB 3.47Å; L260-R264 PolarHBondContact O-N 3.38Å; D261-R264 CarbonylContact O-C 3.54Å; D261-R264 PolarHBondContact O-N 2.99Å; D261-R264 VanDerWaalsContact O-N 3.11Å; M262-R264 PolarHBondContact O-N 3.36Å; R264-G266 VanDerWaalsContact C-N 3.28Å; R264-G266 PolarHBondContact O-N 2.94Å |
| 265 | S | 40.1 | Very low | 44.9 | Very low | 36 Ų | 36 | 107.2 Ų | 107.2 | 25% | 0.252 | 60% | 0.598 | S | S | . | * | trans | -86.1 | 63.8 | -178.6 | -166.8 | 0 | 0 | 0 | 0 | 111.5 | D261 S267 Y268 | D261-S265 WeakPolarHBondContact O-CA 3.27Å; D261-S265 WeakPolarHBondContact O-CB 3.25Å; D261-S265 PolarHBondContact O-N 3.37Å; S265-S267 PolarHBondContact O-N 3.34Å; S265-S267 PolarHBondContact OG-OG 3.42Å; S265-S267 VanDerWaalsContact OG-OG 3.06Å; S265-Y268 WeakPolarHBondContact OG-CD2 3.39Å; S265-Y268 WeakPolarHBondContact OG-CE2 3.39Å | ||
| 266 | G | 45.5 | Very low | 44.4 | Very low | 83 Ų | 83 | 108.1 Ų | 108.1 | 86% | 0.856 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 38.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R264 | R264-G266 VanDerWaalsContact C-N 3.28Å; R264-G266 PolarHBondContact O-N 2.94Å |
| 267 | S | 47.8 | Very low | 44.2 | Very low | 74 Ų | 74 | 112 Ų | 112 | 52% | 0.517 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.2 | -13.9 | -168.6 | 31.1 | 0 | 0 | 0 | 0 | 115.1 | S265 L269 | S265-S267 PolarHBondContact O-N 3.34Å; S265-S267 PolarHBondContact OG-OG 3.42Å; S265-S267 VanDerWaalsContact OG-OG 3.06Å; S267-L269 PolarHBondContact O-N 3.41Å |
| 268 | Y | 41.8 | Very low | 43.6 | Very low | 177 Ų | 177 | 110.5 Ų | 110.5 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -69.8 | -10.7 | 179.7 | -83.5 | -63.7 | 0 | 0 | 0 | 114.9 | S265 N270 S271 | S265-Y268 WeakPolarHBondContact OG-CD2 3.39Å; S265-Y268 WeakPolarHBondContact OG-CE2 3.39Å; Y268-N270 PolarHBondContact O-N 3.37Å; Y268-S271 PolarHBondContact O-N 3.38Å |
| 269 | L | 43.5 | Very low | 42.9 | Very low | 141 Ų | 141 | 115 Ų | 115 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -67.2 | 1.8 | 174.6 | -67.4 | 174.8 | 0 | 0 | 0 | 115.3 | S267 | S267-L269 PolarHBondContact O-N 3.41Š|
| 270 | N | 41.9 | Very low | 42.2 | Very low | 123 Ų | 123 | 117.1 Ų | 117.1 | 66% | 0.658 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -91.8 | -31.6 | 172.3 | -95.8 | -60.6 | 0 | 0 | 0 | 113.7 | Y268 S272 I273 | Y268-N270 PolarHBondContact O-N 3.37Å; N270-S272 VanDerWaalsContact C-N 3.32Å; N270-S272 PolarHBondContact O-N 3.25Å; N270-I273 PolarHBondContact O-N 2.73Å |
| 271 | S | 42.8 | Very low | 41.4 | Very low | 75 Ų | 75 | 117.2 Ų | 117.2 | 52% | 0.524 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -71.5 | -27.3 | -172.6 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | Y268 I273 T274 | Y268-S271 PolarHBondContact O-N 3.38Å; S271-I273 VanDerWaalsContact C-N 3.3Å; S271-I273 PolarHBondContact O-N 2.75Å; S271-T274 PolarHBondContact O-OG1 2.82Å |
| 272 | S | 42.6 | Very low | 41 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -77.3 | -9.3 | 176.6 | 48 | 0 | 0 | 0 | 0 | 114.4 | N270 S275 | N270-S272 VanDerWaalsContact C-N 3.32Å; N270-S272 PolarHBondContact O-N 3.25Å; S272-S275 PolarHBondContact O-OG 2.79Å |
| 273 | I | 43.2 | Very low | 40.3 | Very low | 106 Ų | 106 | 121 Ų | 121 | 54% | 0.544 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -89.3 | -26 | 175.8 | -63.7 | 176.9 | 0 | 0 | 0 | 110.9 | N270 S271 | N270-I273 PolarHBondContact O-N 2.73Å; S271-I273 VanDerWaalsContact C-N 3.3Å; S271-I273 PolarHBondContact O-N 2.75Å |
| 274 | T | 43.6 | Very low | 39.7 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 68% | 0.675 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -80.5 | -20.2 | 178.2 | 35.5 | 0 | 0 | 0 | 0 | 114.6 | S271 A276 | S271-T274 PolarHBondContact O-OG1 2.82Å; T274-A276 VanDerWaalsContact C-N 3.35Å |
| 275 | S | 44.2 | Very low | 39.2 | Very low | 83 Ų | 83 | 121.6 Ų | 121.6 | 58% | 0.58 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -1.3 | 177.6 | 56 | 0 | 0 | 0 | 0 | 114.4 | S272 | S272-S275 PolarHBondContact O-OG 2.79Š|
| 276 | A | 37.5 | Very low | 38.9 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 13.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T274 | T274-A276 VanDerWaalsContact C-N 3.35Š|
| 277 | W | 39.6 | Very low | 38.3 | Very low | 226 Ų | 226 | 130.7 Ų | 130.7 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -137.5 | 25.6 | -172.8 | -73.6 | 96.4 | 0 | 0 | 0 | 113.3 | ||
| 278 | S | 36 | Very low | 37.6 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | -120.7 | 40.3 | -175.9 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 279 | E | 29.9 | Very low | 36.9 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | -138.4 | 101.6 | 161.4 | -75.3 | -161.6 | 139.6 | 0 | 0 | 110.7 | ||||
| 280 | H | 32 | Very low | 36.8 | Very low | 191 Ų | 191 | 132 Ų | 132 | 88% | 0.884 | 72% | 0.716 | S | S | * | * | trans | -153.3 | 133.1 | 136.5 | -139.2 | -83.8 | 0 | 0 | 0 | 111.2 | ||||
| 281 | S | 34.5 | Very low | 36.1 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | -48.8 | 136.8 | -176.7 | 174.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 282 | L | 34.2 | Very low | 35.4 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 91% | 0.911 | 73% | 0.733 | S | S | * | * | -142.7 | 139.1 | 117 | -80.2 | -172.1 | 0 | 0 | 0 | 109.3 | |||||
| 283 | D | 31.3 | Very low | 34.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -119.4 | 123.3 | -175.8 | -168.2 | 6.7 | 0 | 0 | 0 | 109.4 | ||||
| 284 | P | 36.6 | Very low | 34.2 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -102.5 | 33.5 | -170.8 | 40.1 | -35.9 | 0 | 0 | 0 | 114.8 | ||||
| 285 | E | 34 | Very low | 33.5 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -106 | 57.1 | 175.8 | -83.2 | -71.1 | 169.9 | 0 | 0 | 112.7 | ||||
| 286 | D | 33.5 | Very low | 32.8 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -151.6 | 88 | 164.3 | -154.1 | 2 | 0 | 0 | 0 | 112.7 | ||||
| 287 | I | 34.4 | Very low | 32.4 | Very low | 177 Ų | 177 | 149 Ų | 149 | 91% | 0.908 | 78% | 0.778 | S | S | * | * | trans | -165.2 | 143.8 | 148.7 | -99.9 | 151.8 | 0 | 0 | 0 | 107.9 | ||||
| 288 | R | 32.5 | Very low | 31.9 | Very low | 191 Ų | 191 | 143 Ų | 143 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -125.7 | 141.5 | -160.4 | 175.1 | -174.2 | -76.1 | 98 | 2.5 | 112.1 | ||||
| 289 | T | 27.9 | Very low | 31.8 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | 66.3 | 162.8 | 160 | 47.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 290 | P | 40.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | cis | -144.6 | -169.6 | -36.4 | 40.7 | -23 | 0 | 0 | 0 | 115.5 | ||||
| 291 | E | 26.3 | Very low | 31.7 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | 79.6 | 149.5 | 151.2 | -70.6 | -54.3 | 126.4 | 0 | 0 | 123.1 | ||||
| 292 | E | 29.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | 57.3 | 136.4 | 161.7 | -70.4 | -160 | 113.2 | 0 | 0 | 125.3 | ||||
| 293 | M | 31.6 | Very low | 31.4 | Very low | 178 Ų | 178 | 135.3 Ų | 135.3 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 48.7 | 137.8 | 150.4 | -95.5 | 44 | 170.1 | 0 | 0 | 121.9 | ||||
| 294 | G | 28.2 | Very low | 31.5 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | 165.1 | 148.9 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 295 | H | 29 | Very low | 31.5 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 18.5 | 119.5 | 157 | -87.6 | -94.9 | 0 | 0 | 0 | 121 | ||||
| 296 | L | 28.6 | Very low | 32 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | 172 | 169.3 | 99.3 | -104.6 | 156 | 0 | 0 | 0 | 116.6 | |||||
| 297 | S | 29 | Very low | 32.3 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | trans | -15.8 | 133.9 | 167.8 | 50 | 0 | 0 | 0 | 0 | 119 | ||||
| 298 | S | 29.5 | Very low | 33 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 83.1 | 111.9 | 53.9 | -169.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 299 | I | 33.7 | Very low | 34.1 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | trans | 55.6 | 106.1 | 144.6 | -58.6 | 171.8 | 0 | 0 | 0 | 118.2 | ||||
| 300 | N | 32.2 | Very low | 35 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | 179.7 | 163.1 | 96 | -120.7 | -34.7 | 0 | 0 | 0 | 115 | |||||
| 301 | G | 28.3 | Very low | 35.3 | Very low | 65 Ų | 65 | 130.1 Ų | 130.1 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | 98.4 | 70.3 | 134.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 302 | C | 29 | Very low | 37 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 96% | 0.959 | 73% | 0.728 | S | S | * | * | trans | 60.5 | 124.1 | 139.1 | -166.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 303 | G | 33.7 | Very low | 38.4 | Very low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 133.8 | 81.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 304 | V | 33.2 | Very low | 39.6 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | trans | -131.6 | 121.7 | 163.3 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 305 | R | 35.8 | Very low | 41.2 | Very low | 243 Ų | 243 | 125.9 Ų | 125.9 | 92% | 0.917 | 69% | 0.694 | S | S | * | * | trans | -101.3 | 118.3 | 167.2 | -80.7 | -178.5 | 174.1 | 159.3 | -1.3 | 109.7 | C307 | R305-C307 PolarHBondContact O-N 3.03Š| ||
| 306 | S | 45.7 | Very low | 43.1 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | trans | 15.3 | 97.4 | 155 | 172.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 307 | C | 39.8 | Very low | 45.4 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | trans | -120.1 | -15.3 | 170.7 | -146.9 | 0 | 0 | 0 | 0 | 114.2 | R305 S309 | R305-C307 PolarHBondContact O-N 3.03Å; C307-S309 PolarHBondContact O-N 2.93Å | ||
| 308 | D | 49.1 | Very low | 47.7 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 66% | 0.658 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.8 | -33.2 | -168.1 | -46.6 | -72.3 | 0 | 0 | 0 | 114.2 | L310 W311 E312 | D308-L310 PolarHBondContact O-N 3.35Å; D308-W311 PolarHBondContact O-N 3.32Å; D308-E312 PolarHBondContact O-N 3.31Å; D308-E312 VanDerWaalsContact O-N 3.08Å |
| 309 | S | 55.3 | Low | 50 | Low | 59 Ų | 59 | 119.4 Ų | 119.4 | 41% | 0.413 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -67.2 | -2 | -167 | 79.2 | 0 | 0 | 0 | 0 | 116.2 | C307 K313 | C307-S309 PolarHBondContact O-N 2.93Å; S309-K313 WeakPolarHBondContact O-CD 3.28Å; S309-K313 WeakPolarHBondContact O-CE 3.35Å; S309-K313 WeakPolarHBondContact O-CG 3.47Å; S309-K313 PolarHBondContact O-NZ 3.12Å |
| 310 | L | 46.4 | Very low | 52 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -106.6 | -41.6 | 175.9 | -163.7 | 153.8 | 0 | 0 | 0 | 111.4 | D308 K313 R314 | D308-L310 PolarHBondContact O-N 3.35Å; L310-K313 PolarHBondContact O-N 3.36Å; L310-R314 PolarHBondContact O-N 2.92Å; L310-R314 VanDerWaalsContact O-N 3.09Å |
| 311 | W | 47.3 | Very low | 54.3 | Low | 178 Ų | 178 | 116.9 Ų | 116.9 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.3 | -47.7 | 172 | -87.3 | 102.4 | 0 | 0 | 0 | 111.5 | D308 K313 R314 T315 | D308-W311 PolarHBondContact O-N 3.32Å; W311-K313 PolarHBondContact O-N 3.43Å; W311-R314 PolarHBondContact O-N 3.14Å; W311-R314 VanDerWaalsContact O-N 3.07Å; W311-T315 PolarHBondContact O-N 3.06Å; W311-T315 PolarHBondContact O-OG1 3.25Å |
| 312 | E | 61.3 | Low | 56.8 | Low | 125 Ų | 125 | 118.9 Ų | 118.9 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.7 | -32.8 | 179.1 | -170.3 | -177.3 | -161.6 | 0 | 0 | 112.6 | D308 T315 N316 | D308-E312 PolarHBondContact O-N 3.31Å; D308-E312 VanDerWaalsContact O-N 3.08Å; E312-T315 PolarHBondContact O-OG1 2.97Å; E312-T315 VanDerWaalsContact O-OG1 3.13Å; E312-N316 WeakPolarHBondContact O-CB 3.31Å; E312-N316 PolarHBondContact O-N 3.35Å; E312-N316 VanDerWaalsContact O-N 3.16Å; E312-N316 PolarHBondContact O-ND2 2.88Å |
| 313 | K | 59.1 | Low | 58.7 | Low | 130 Ų | 130 | 119.4 Ų | 119.4 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.2 | -44.1 | 173.6 | -71 | -176.9 | -172.3 | 110.9 | 0 | 111.9 | S309 L310 W311 N316 E317 | S309-K313 WeakPolarHBondContact O-CD 3.28Å; S309-K313 WeakPolarHBondContact O-CE 3.35Å; S309-K313 WeakPolarHBondContact O-CG 3.47Å; S309-K313 PolarHBondContact O-NZ 3.12Å; L310-K313 PolarHBondContact O-N 3.36Å; W311-K313 PolarHBondContact O-N 3.43Å; K313-N316 PolarHBondContact O-N 2.96Å; K313-E317 PolarHBondContact O-N 3.2Å |
| 314 | R | 58.3 | Low | 61 | Low | 150 Ų | 150 | 118.6 Ų | 118.6 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -43.1 | -179.6 | -173.9 | 171.9 | -74.8 | 173.1 | -4.1 | 111.6 | L310 W311 E317 E318 | L310-R314 PolarHBondContact O-N 2.92Å; L310-R314 VanDerWaalsContact O-N 3.09Å; W311-R314 PolarHBondContact O-N 3.14Å; W311-R314 VanDerWaalsContact O-N 3.07Å; R314-E317 PolarHBondContact O-N 2.84Å; R314-E318 PolarHBondContact O-N 2.9Å |
| 315 | T | 62 | Low | 63.2 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.5 | -42.9 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | W311 E312 E317 E318 L319 | W311-T315 PolarHBondContact O-N 3.06Å; W311-T315 PolarHBondContact O-OG1 3.25Å; E312-T315 PolarHBondContact O-OG1 2.97Å; E312-T315 VanDerWaalsContact O-OG1 3.13Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.44Å; T315-E318 PolarHBondContact O-N 3.41Å; T315-L319 VanDerWaalsContact O-CB 3.28Å; T315-L319 WeakPolarHBondContact O-CB 3.24Å; T315-L319 PolarHBondContact O-N 3.09Å |
| 316 | N | 67.5 | Low | 65.7 | Low | 92 Ų | 92 | 111.2 Ų | 111.2 | 49% | 0.492 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62 | -35.8 | 174.7 | -89.5 | -81 | 0 | 0 | 0 | 113 | E312 K313 K320 | E312-N316 WeakPolarHBondContact O-CB 3.31Å; E312-N316 PolarHBondContact O-N 3.35Å; E312-N316 VanDerWaalsContact O-N 3.16Å; E312-N316 PolarHBondContact O-ND2 2.88Å; K313-N316 PolarHBondContact O-N 2.96Å; N316-K320 WeakPolarHBondContact O-CB 3.35Å; N316-K320 PolarHBondContact O-N 3.3Å |
| 317 | E | 76.9 | Confident | 67.3 | Low | 123 Ų | 123 | 111.1 Ų | 111.1 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.6 | -43.1 | 175.9 | -76.2 | -170.8 | -177.7 | 0 | 0 | 112.9 | K313 R314 T315 K320 K321 | K313-E317 PolarHBondContact O-N 3.2Å; R314-E317 PolarHBondContact O-N 2.84Å; T315-E317 VanDerWaalsContact C-N 3.32Å; T315-E317 PolarHBondContact O-N 3.44Å; E317-K320 PolarHBondContact O-N 2.85Å; E317-K321 WeakPolarHBondContact O-CG 3.36Å; E317-K321 PolarHBondContact O-N 3.32Å |
| 318 | E | 76.8 | Confident | 69.3 | Low | 90 Ų | 90 | 110.8 Ų | 110.8 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 174.6 | -63 | -46.7 | 138.7 | 0 | 0 | 112.1 | R314 T315 K320 K321 L322 | R314-E318 PolarHBondContact O-N 2.9Å; T315-E318 PolarHBondContact O-N 3.41Å; E318-K320 VanDerWaalsContact C-N 3.26Å; E318-K320 PolarHBondContact O-N 2.92Å; E318-K321 WeakPolarHBondContact O-CB 3.43Å; E318-K321 PolarHBondContact O-N 2.87Å; E318-K321 VanDerWaalsContact O-N 3.11Å; E318-K321 IonicContact OE1-NZ 3.18Å; E318-K321 PolarHBondContact OE1-NZ 2.96Å; E318-K321 WeakPolarHBondContact OE2-CD 3.17Å; E318-K321 IonicContact OE2-NZ 3.7Å; E318-K321 PolarHBondContact OE2-NZ 3.08Å; E318-K321 VanDerWaalsContact OE2-NZ 3.14Å; E318-L322 WeakPolarHBondContact O-CG 3.42Å; E318-L322 PolarHBondContact O-N 3.47Å |
| 319 | L | 77.8 | Confident | 70.7 | Confident | 89 Ų | 89 | 111.8 Ų | 111.8 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 176.8 | -167.6 | 71.1 | 0 | 0 | 0 | 111.3 | T315 L322 Y323 | T315-L319 VanDerWaalsContact O-CB 3.28Å; T315-L319 WeakPolarHBondContact O-CB 3.24Å; T315-L319 PolarHBondContact O-N 3.09Å; L319-L322 PolarHBondContact O-N 3.25Å; L319-Y323 HydrophobicContact CD1-CE2 4.13Å; L319-Y323 HydrophobicContact CD2-CE2 4.04Å; L319-Y323 HydrophobicContact CG-CD2 4.03Å; L319-Y323 HydrophobicContact CG-CE2 3.71Å; L319-Y323 VanDerWaalsContact O-CD2 3.23Å; L319-Y323 WeakPolarHBondContact O-CD2 3.41Å; L319-Y323 PolarHBondContact O-N 2.84Å |
| 320 | K | 76.1 | Confident | 71.9 | Confident | 157 Ų | 157 | 115.8 Ų | 115.8 | 68% | 0.683 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -34.3 | 176.3 | -169.8 | 175.2 | -174.6 | 178.4 | 0 | 113 | N316 E317 E318 S324 | N316-K320 WeakPolarHBondContact O-CB 3.35Å; N316-K320 PolarHBondContact O-N 3.3Å; E317-K320 PolarHBondContact O-N 2.85Å; E318-K320 VanDerWaalsContact C-N 3.26Å; E318-K320 PolarHBondContact O-N 2.92Å; K320-S324 PolarHBondContact O-N 3.45Å; K320-S324 VanDerWaalsContact O-N 3.12Å |
| 321 | K | 81.5 | Confident | 73 | Confident | 94 Ų | 94 | 117.6 Ų | 117.6 | 41% | 0.409 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 169.2 | -68.4 | 170 | -158.1 | 169.7 | 0 | 110.4 | E317 E318 Y323 S324 Q325 | E317-K321 WeakPolarHBondContact O-CG 3.36Å; E317-K321 PolarHBondContact O-N 3.32Å; E318-K321 WeakPolarHBondContact O-CB 3.43Å; E318-K321 PolarHBondContact O-N 2.87Å; E318-K321 VanDerWaalsContact O-N 3.11Å; E318-K321 IonicContact OE1-NZ 3.18Å; E318-K321 PolarHBondContact OE1-NZ 2.96Å; E318-K321 WeakPolarHBondContact OE2-CD 3.17Å; E318-K321 IonicContact OE2-NZ 3.7Å; E318-K321 PolarHBondContact OE2-NZ 3.08Å; E318-K321 VanDerWaalsContact OE2-NZ 3.14Å; K321-Y323 PolarHBondContact O-N 3.19Å; K321-S324 PolarHBondContact O-N 3.27Å; K321-S324 VanDerWaalsContact O-N 3.11Å; K321-S324 PolarHBondContact O-OG 3.34Å; K321-Q325 PolarHBondContact O-N 3.05Å |
| 322 | L | 79.6 | Confident | 74.3 | Confident | 108 Ų | 108 | 116 Ų | 116 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.8 | -48.8 | 178.4 | -72.6 | 168.2 | 0 | 0 | 0 | 111.9 | E318 L319 S324 Q325 L326 | E318-L322 WeakPolarHBondContact O-CG 3.42Å; E318-L322 PolarHBondContact O-N 3.47Å; L319-L322 PolarHBondContact O-N 3.25Å; L322-S324 VanDerWaalsContact C-N 3.31Å; L322-S324 PolarHBondContact O-N 2.89Å; L322-Q325 PolarHBondContact O-N 3.2Å; L322-L326 WeakPolarHBondContact O-CB 3.32Å; L322-L326 PolarHBondContact O-N 2.72Å |
| 323 | Y | 70.2 | Confident | 75 | Confident | 152 Ų | 152 | 115.7 Ų | 115.7 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | 174.4 | -80.1 | -60.3 | 0 | 0 | 0 | 112.8 | L319 K321 L326 E327 | L319-Y323 HydrophobicContact CD1-CE2 4.13Å; L319-Y323 HydrophobicContact CD2-CE2 4.04Å; L319-Y323 HydrophobicContact CG-CD2 4.03Å; L319-Y323 HydrophobicContact CG-CE2 3.71Å; L319-Y323 VanDerWaalsContact O-CD2 3.23Å; L319-Y323 WeakPolarHBondContact O-CD2 3.41Å; L319-Y323 PolarHBondContact O-N 2.84Å; K321-Y323 PolarHBondContact O-N 3.19Å; Y323-L326 PolarHBondContact O-N 2.89Å; Y323-E327 WeakPolarHBondContact O-CB 2.98Å; Y323-E327 PolarHBondContact O-N 2.91Å |
| 324 | S | 80.9 | Confident | 75.1 | Confident | 53 Ų | 53 | 114.8 Ų | 114.8 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -38.5 | 176.7 | 80 | 0 | 0 | 0 | 0 | 112.9 | K320 K321 L322 I328 | K320-S324 PolarHBondContact O-N 3.45Å; K320-S324 VanDerWaalsContact O-N 3.12Å; K321-S324 PolarHBondContact O-N 3.27Å; K321-S324 VanDerWaalsContact O-N 3.11Å; K321-S324 PolarHBondContact O-OG 3.34Å; L322-S324 VanDerWaalsContact C-N 3.31Å; L322-S324 PolarHBondContact O-N 2.89Å; S324-I328 WeakPolarHBondContact O-CD1 3.44Å; S324-I328 VanDerWaalsContact O-CG1 3.24Å; S324-I328 WeakPolarHBondContact O-CG1 3.37Å; S324-I328 PolarHBondContact O-N 3.49Å |
| 325 | Q | 80.3 | Confident | 75.3 | Confident | 127 Ų | 127 | 113.4 Ų | 113.4 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.8 | -41.2 | 175 | -68.6 | -169.7 | 19.4 | 0 | 0 | 111.2 | K321 L322 I328 Y329 | K321-Q325 PolarHBondContact O-N 3.05Å; L322-Q325 PolarHBondContact O-N 3.2Å; Q325-I328 PolarHBondContact O-N 3.38Å; Q325-Y329 WeakPolarHBondContact O-CB 3.46Å; Q325-Y329 PolarHBondContact O-N 2.84Å |
| 326 | L | 87.4 | Confident | 75.2 | Confident | 103 Ų | 103 | 113.4 Ų | 113.4 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 176.7 | -171.3 | 64.9 | 0 | 0 | 0 | 111.9 | L322 Y323 Y329 K330 | L322-L326 WeakPolarHBondContact O-CB 3.32Å; L322-L326 PolarHBondContact O-N 2.72Å; Y323-L326 PolarHBondContact O-N 2.89Å; L326-Y329 PolarHBondContact O-N 3.33Å; L326-K330 VanDerWaalsContact O-CB 3.23Å; L326-K330 WeakPolarHBondContact O-CB 3.33Å; L326-K330 PolarHBondContact O-N 2.83Å |
| 327 | E | 80.7 | Confident | 74.9 | Confident | 98 Ų | 98 | 114.5 Ų | 114.5 | 46% | 0.458 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 174.6 | -162.2 | -167.8 | 165.4 | 0 | 0 | 111.7 | Y323 R331 | Y323-E327 WeakPolarHBondContact O-CB 2.98Å; Y323-E327 PolarHBondContact O-N 2.91Å; E327-R331 WeakPolarHBondContact O-CB 3.31Å; E327-R331 WeakPolarHBondContact O-CG 3.49Å; E327-R331 PolarHBondContact O-N 3.42Å; E327-R331 IonicContact OE1-CZ 3.68Å; E327-R331 IonicContact OE1-NH1 2.62Å; E327-R331 PolarHBondContact OE1-NH1 3.07Å; E327-R331 IonicContact OE1-NH2 2.68Å; E327-R331 PolarHBondContact OE1-NH2 3.5Å; E327-R331 IonicContact OE2-NH1 3.14Å |
| 328 | I | 81.7 | Confident | 74 | Confident | 88 Ų | 88 | 112.4 Ų | 112.4 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -44 | 174.5 | -70 | 165 | 0 | 0 | 0 | 111 | S324 Q325 R331 K332 | S324-I328 WeakPolarHBondContact O-CD1 3.44Å; S324-I328 VanDerWaalsContact O-CG1 3.24Å; S324-I328 WeakPolarHBondContact O-CG1 3.37Å; S324-I328 PolarHBondContact O-N 3.49Å; Q325-I328 PolarHBondContact O-N 3.38Å; I328-R331 PolarHBondContact O-N 3.01Å; I328-K332 HydrophobicContact CG2-CD 4.31Å; I328-K332 WeakPolarHBondContact O-CG 3.43Å; I328-K332 PolarHBondContact O-N 3.26Å |
| 329 | Y | 78.8 | Confident | 73.1 | Confident | 145 Ų | 145 | 113.2 Ų | 113.2 | 57% | 0.569 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -44.3 | 177.5 | -175.3 | -93.9 | 0 | 0 | 0 | 111.3 | Q325 L326 R331 K332 K333 | Q325-Y329 WeakPolarHBondContact O-CB 3.46Å; Q325-Y329 PolarHBondContact O-N 2.84Å; L326-Y329 PolarHBondContact O-N 3.33Å; Y329-R331 PolarHBondContact O-N 3.38Å; Y329-K332 PolarHBondContact O-N 2.89Å; Y329-K332 VanDerWaalsContact O-N 3.15Å; Y329-K333 HydrophobicContact CE1-CD 4.07Å; Y329-K333 WeakPolarHBondContact O-CB 3.4Å; Y329-K333 PolarHBondContact O-N 3.04Å |
| 330 | K | 80.4 | Confident | 72.2 | Confident | 142 Ų | 142 | 117.9 Ų | 117.9 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58 | -46.2 | 173.4 | -169.1 | 169.7 | -176 | 173.3 | 0 | 110.7 | L326 K332 K333 M334 | L326-K330 VanDerWaalsContact O-CB 3.23Å; L326-K330 WeakPolarHBondContact O-CB 3.33Å; L326-K330 PolarHBondContact O-N 2.83Å; K330-K332 PolarHBondContact O-N 2.85Å; K330-K333 PolarHBondContact O-N 3.5Å; K330-M334 HydrophobicContact CG-CG 4.42Å; K330-M334 VanDerWaalsContact O-CB 3.3Å; K330-M334 WeakPolarHBondContact O-CB 3.31Å; K330-M334 WeakPolarHBondContact O-CG 3.47Å; K330-M334 PolarHBondContact O-N 3.21Å |
| 331 | R | 68.8 | Low | 71.3 | Confident | 148 Ų | 148 | 115.9 Ų | 115.9 | 56% | 0.558 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62 | -41.1 | 173.6 | -77.9 | -167.1 | -179.2 | 99.9 | 10.6 | 113.3 | E327 I328 Y329 L335 | E327-R331 WeakPolarHBondContact O-CB 3.31Å; E327-R331 WeakPolarHBondContact O-CG 3.49Å; E327-R331 PolarHBondContact O-N 3.42Å; E327-R331 IonicContact OE1-CZ 3.68Å; E327-R331 IonicContact OE1-NH1 2.62Å; E327-R331 PolarHBondContact OE1-NH1 3.07Å; E327-R331 IonicContact OE1-NH2 2.68Å; E327-R331 PolarHBondContact OE1-NH2 3.5Å; E327-R331 IonicContact OE2-NH1 3.14Å; I328-R331 PolarHBondContact O-N 3.01Å; Y329-R331 PolarHBondContact O-N 3.38Å; R331-L335 WeakPolarHBondContact O-CD1 3.46Å; R331-L335 PolarHBondContact O-N 2.99Å; R331-L335 VanDerWaalsContact O-N 3.08Å |
| 332 | K | 74.9 | Confident | 70 | Confident | 145 Ų | 145 | 119.8 Ų | 119.8 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63 | -47 | 176.2 | -76.7 | 177.3 | 177.6 | -178.7 | 0 | 111.7 | I328 Y329 K330 L335 A336 | I328-K332 HydrophobicContact CG2-CD 4.31Å; I328-K332 WeakPolarHBondContact O-CG 3.43Å; I328-K332 PolarHBondContact O-N 3.26Å; Y329-K332 PolarHBondContact O-N 2.89Å; Y329-K332 VanDerWaalsContact O-N 3.15Å; K330-K332 PolarHBondContact O-N 2.85Å; K332-L335 PolarHBondContact O-N 2.92Å; K332-A336 WeakPolarHBondContact O-CB 3.34Å; K332-A336 PolarHBondContact O-N 3.31Å |
| 333 | K | 75.8 | Confident | 68.7 | Low | 117 Ų | 117 | 124.5 Ų | 124.5 | 51% | 0.509 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -38.5 | 178.7 | -164.6 | 168.2 | -176.7 | 174.3 | 0 | 112 | Y329 K330 L335 A336 N337 | Y329-K333 HydrophobicContact CE1-CD 4.07Å; Y329-K333 WeakPolarHBondContact O-CB 3.4Å; Y329-K333 PolarHBondContact O-N 3.04Å; K330-K333 PolarHBondContact O-N 3.5Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-L335 PolarHBondContact O-N 3.21Å; K333-A336 PolarHBondContact O-N 2.71Å; K333-N337 PolarHBondContact O-N 2.9Å |
| 334 | M | 61.4 | Low | 67.2 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.3 | -33.4 | 173.3 | -67.8 | -87.4 | -84.3 | 0 | 0 | 112.9 | K330 N338 | K330-M334 HydrophobicContact CG-CG 4.42Å; K330-M334 VanDerWaalsContact O-CB 3.3Å; K330-M334 WeakPolarHBondContact O-CB 3.31Å; K330-M334 WeakPolarHBondContact O-CG 3.47Å; K330-M334 PolarHBondContact O-N 3.21Å; M334-N338 WeakPolarHBondContact O-CB 3.06Å; M334-N338 PolarHBondContact O-ND2 3.43Å |
| 335 | L | 61.3 | Low | 65.3 | Low | 121 Ų | 121 | 135.6 Ų | 135.6 | 63% | 0.634 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.8 | -40.2 | 172.4 | -100.2 | 75.2 | 0 | 0 | 0 | 112.8 | R331 K332 K333 N338 | R331-L335 WeakPolarHBondContact O-CD1 3.46Å; R331-L335 PolarHBondContact O-N 2.99Å; R331-L335 VanDerWaalsContact O-N 3.08Å; K332-L335 PolarHBondContact O-N 2.92Å; K333-L335 VanDerWaalsContact C-N 3.32Å; K333-L335 PolarHBondContact O-N 3.21Å; L335-N338 PolarHBondContact O-N 3.47Å |
| 336 | A | 61.5 | Low | 63.3 | Low | 78 Ų | 78 | 134.9 Ų | 134.9 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.7 | -41 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K332 K333 N338 | K332-A336 WeakPolarHBondContact O-CB 3.34Å; K332-A336 PolarHBondContact O-N 3.31Å; K333-A336 PolarHBondContact O-N 2.71Å; A336-N338 VanDerWaalsContact C-N 3.31Å; A336-N338 PolarHBondContact O-N 2.87Å |
| 337 | N | 60.8 | Low | 61.5 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 4.9 | -177.8 | -69.3 | 30.8 | 0 | 0 | 0 | 114 | K333 | K333-N337 PolarHBondContact O-N 2.9Š|
| 338 | N | 56.8 | Low | 60.2 | Low | 78 Ų | 78 | 139.7 Ų | 139.7 | 42% | 0.417 | 68% | 0.677 | S | S | . | * | trans | -135.7 | 83.5 | -177.9 | -74.8 | -77.3 | 0 | 0 | 0 | 112.8 | M334 L335 A336 H340 L341 | M334-N338 WeakPolarHBondContact O-CB 3.06Å; M334-N338 PolarHBondContact O-ND2 3.43Å; L335-N338 PolarHBondContact O-N 3.47Å; A336-N338 VanDerWaalsContact C-N 3.31Å; A336-N338 PolarHBondContact O-N 2.87Å; N338-H340 PolarHBondContact O-N 2.88Å; N338-H340 VanDerWaalsContact O-N 3.1Å; N338-L341 HydrophobicContact CB-CD1 3.79Å; N338-L341 HydrophobicContact CB-CG 4.11Å; N338-L341 PolarHBondContact O-N 3.35Å | ||
| 339 | P | 59.5 | Low | 58.8 | Low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -54.7 | -31.2 | -179.9 | -27.8 | 36 | 0 | 0 | 0 | 114.7 | L341 | P339-L341 PolarHBondContact O-N 3.47Š|
| 340 | H | 57.6 | Low | 57.2 | Low | 186 Ų | 186 | 140.9 Ų | 140.9 | 86% | 0.861 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -80.4 | -4.8 | -174.6 | -68.7 | -79.1 | 0 | 0 | 0 | 115.7 | N338 Q342 | N338-H340 PolarHBondContact O-N 2.88Å; N338-H340 VanDerWaalsContact O-N 3.1Å; H340-Q342 PolarHBondContact O-N 2.9Å |
| 341 | L | 57.3 | Low | 55.6 | Low | 115 Ų | 115 | 141.1 Ų | 141.1 | 60% | 0.602 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -70.8 | -10.1 | 178.8 | -82.5 | 173.2 | 0 | 0 | 0 | 114.2 | N338 P339 K343 | N338-L341 HydrophobicContact CB-CD1 3.79Å; N338-L341 HydrophobicContact CB-CG 4.11Å; N338-L341 PolarHBondContact O-N 3.35Å; P339-L341 PolarHBondContact O-N 3.47Å; L341-K343 PolarHBondContact O-N 3.36Å |
| 342 | Q | 53.8 | Low | 54.6 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -85.6 | 68.4 | 174.4 | -67.4 | -156.5 | 35.3 | 0 | 0 | 113.9 | H340 | H340-Q342 PolarHBondContact O-N 2.9Š|
| 343 | K | 53.2 | Low | 53.3 | Low | 207 Ų | 207 | 140.2 Ų | 140.2 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | trans | 179.2 | 69.7 | 148.7 | -99.6 | 154.7 | -174.4 | 176.2 | 0 | 114.4 | L341 | L341-K343 PolarHBondContact O-N 3.36Š| ||
| 344 | K | 39.3 | Very low | 52 | Low | 207 Ų | 207 | 137.4 Ų | 137.4 | 90% | 0.9 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -140.9 | 72 | 157.1 | -127.1 | 171.5 | -173.5 | 175.6 | 0 | 114.6 | S346 | K344-S346 PolarHBondContact O-N 2.97Š|
| 345 | R | 39.8 | Very low | 51.5 | Low | 230 Ų | 230 | 137.1 Ų | 137.1 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | trans | 31.5 | 83.6 | 152.1 | -159.5 | 178.2 | -170.9 | 164.9 | 3.4 | 116.7 | S347 | R345-S347 PolarHBondContact O-N 3.36Š| ||
| 346 | S | 38.6 | Very low | 50.7 | Low | 113 Ų | 113 | 138.3 Ų | 138.3 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -72.3 | 57.4 | 175.8 | 58.5 | 0 | 0 | 0 | 0 | 114.6 | K344 K348 | K344-S346 PolarHBondContact O-N 2.97Å; S346-K348 PolarHBondContact O-N 2.89Å | ||
| 347 | S | 50.1 | Low | 50 | Low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 51.3 | -171 | -167.7 | 0 | 0 | 0 | 0 | 114.9 | R345 | R345-S347 PolarHBondContact O-N 3.36Š|
| 348 | K | 53.1 | Low | 49.5 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 89% | 0.891 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | 9 | 167.1 | -121.4 | 167.8 | -174.6 | 176.7 | 0 | 117.2 | S346 | S346-K348 PolarHBondContact O-N 2.89Š|
| 349 | K | 52.2 | Low | 49.2 | Very low | 196 Ų | 196 | 147 Ų | 147 | 85% | 0.852 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -102.4 | 24.5 | 173.1 | -74.2 | -170.9 | 174.8 | -179.7 | 0 | 114.5 | ||
| 350 | G | 44.9 | Very low | 48.3 | Very low | 62 Ų | 62 | 146.9 Ų | 146.9 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -89.7 | -27.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 351 | L | 46.2 | Very low | 47.3 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -82.6 | -43.3 | -167.7 | -165.3 | 63.5 | 0 | 0 | 0 | 113.8 | R353 S354 L355 | L351-R353 PolarHBondContact O-N 2.83Å; L351-R353 VanDerWaalsContact O-N 3.08Å; L351-S354 PolarHBondContact O-N 3.11Å; L351-L355 PolarHBondContact O-N 3.41Å |
| 352 | G | 49 | Very low | 46.4 | Very low | 66 Ų | 66 | 147.7 Ų | 147.7 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -11.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 353 | R | 46.6 | Very low | 45.6 | Very low | 209 Ų | 209 | 145.4 Ų | 145.4 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -5.7 | 173.5 | -63 | -172.7 | -171.5 | -97.6 | 5.4 | 113.8 | L351 | L351-R353 PolarHBondContact O-N 2.83Å; L351-R353 VanDerWaalsContact O-N 3.08Å |
| 354 | S | 49.4 | Very low | 44.5 | Very low | 58 Ų | 58 | 143.6 Ų | 143.6 | 41% | 0.406 | 73% | 0.726 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -43.8 | 176.2 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | L351 M356 R357 | L351-S354 PolarHBondContact O-N 3.11Å; S354-M356 PolarHBondContact O-N 3.41Å; S354-R357 PolarHBondContact O-N 3.38Å |
| 355 | L | 51.1 | Low | 44.1 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 55% | 0.55 | 71% | 0.711 | S | S | . | * | G | 310 helix | trans | -64.4 | -41.3 | -177.7 | -163.1 | 72.2 | 0 | 0 | 0 | 112.8 | L351 R357 R358 I359 | L351-L355 PolarHBondContact O-N 3.41Å; L355-R357 PolarHBondContact O-N 2.91Å; L355-R357 VanDerWaalsContact O-N 3.08Å; L355-R358 PolarHBondContact O-N 3.01Å; L355-I359 HydrophobicContact CG-CD1 4.19Å |
| 356 | M | 43.7 | Very low | 43.9 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 72% | 0.719 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -61 | -19.7 | -179.7 | -156.8 | 76.2 | -176.6 | 0 | 0 | 113.8 | S354 | S354-M356 PolarHBondContact O-N 3.41Š|
| 357 | R | 47.9 | Very low | 43.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 48% | 0.479 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -85 | -25.9 | 174.6 | -61.8 | 174.4 | 178.7 | -168.6 | -3.9 | 112.9 | S354 L355 I359 F414 | S354-R357 PolarHBondContact O-N 3.38Å; L355-R357 PolarHBondContact O-N 2.91Å; L355-R357 VanDerWaalsContact O-N 3.08Å; R357-I359 VanDerWaalsContact C-N 3.26Å; R357-I359 PolarHBondContact O-N 3.3Å; R357-F414 HydrophobicContact CG-CZ 4.11Å; R357-F414 VanDerWaalsContact NE-CZ 3.3Å |
| 358 | R | 48.3 | Very low | 42.6 | Very low | 197 Ų | 197 | 133.7 Ų | 133.7 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 1.5 | -174.6 | -157.6 | -175.1 | -70.5 | -170.9 | -4.8 | 113.2 | L355 | L355-R358 PolarHBondContact O-N 3.01Š|
| 359 | I | 51.2 | Low | 41.3 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -3.3 | -175.3 | -60.2 | 173.4 | 0 | 0 | 0 | 110.8 | L355 R357 | L355-I359 HydrophobicContact CG-CD1 4.19Å; R357-I359 VanDerWaalsContact C-N 3.26Å; R357-I359 PolarHBondContact O-N 3.3Å |
| 360 | T | 40.4 | Very low | 40 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 65% | 0.65 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -128.5 | 15 | -175.2 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 361 | E | 36.8 | Very low | 39.1 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | trans | -108.9 | 114.6 | 166.6 | -76.9 | -179 | 140.2 | 0 | 0 | 108.1 | ||||
| 362 | I | 37.8 | Very low | 38.2 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | trans | -76.5 | 134.8 | 177.2 | -62.7 | 171 | 0 | 0 | 0 | 108.5 | E364 | I362-E364 PolarHBondContact O-N 3.16Š| ||
| 363 | P | 38.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 83% | 0.831 | 67% | 0.669 | S | S | * | * | trans | -85 | 105 | 174.4 | 32.8 | -31.2 | 0 | 0 | 0 | 110.7 | ||||
| 364 | E | 28.9 | Very low | 36.1 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -140.9 | 145.9 | 169.9 | -168.8 | 167.3 | -132.8 | 0 | 0 | 110.5 | I362 | I362-E364 PolarHBondContact O-N 3.16Š| ||
| 365 | S | 31.8 | Very low | 35.2 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | trans | 69 | 135.8 | -176.3 | 93.8 | 0 | 0 | 0 | 0 | 112.7 | L409 | S365-L409 WeakPolarHBondContact O-CD2 3.35Å; S365-L409 WeakPolarHBondContact O-CG 3.35Å | ||
| 366 | V | 36.2 | Very low | 34 | Very low | 48 Ų | 48 | 141.3 Ų | 141.3 | 29% | 0.291 | 69% | 0.69 | S | S | . | * | cis | -147.1 | 167.2 | 2.2 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | E407 T408 L409 | V366-E407 HydrophobicContact CG1-CB 3.72Å; V366-E407 VanDerWaalsContact CG1-CD 3.43Å; V366-E407 HydrophobicContact CG1-CG 3.6Å; V366-E407 WeakPolarHBondContact CG1-OE1 3.43Å; V366-T408 HydrophobicContact CB-CG2 4.06Å; V366-T408 HydrophobicContact CG1-CG2 3.86Å; V366-L409 HydrophobicContact CB-CD1 4.06Å; V366-L409 HydrophobicContact CB-CG 4.15Å; V366-L409 HydrophobicContact CG2-CG 4.32Å; V366-L409 WeakPolarHBondContact O-CD1 3.45Å | ||
| 367 | H | 30.1 | Very low | 33.3 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 57% | 0.565 | 70% | 0.7 | S | S | * | * | trans | -110.4 | 169.8 | -173.9 | 175.5 | 53.5 | 0 | 0 | 0 | 111.3 | ||||
| 368 | R | 30.3 | Very low | 32.4 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 69% | 0.694 | 71% | 0.712 | S | S | * | * | trans | 61.5 | 164.3 | 174.5 | -66.3 | 160 | -167.8 | -163.7 | 1.9 | 115.6 | ||||
| 369 | Q | 26.8 | Very low | 31.4 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | cis | -101.8 | -177.7 | -11.8 | -95.8 | -176.7 | -11.4 | 0 | 0 | 110.4 | ||||
| 370 | C | 24.1 | Very low | 30.3 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | cis | -139.2 | 157.3 | -3.4 | -125 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 371 | S | 26.1 | Very low | 29.7 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | 57.6 | 104.8 | 86.5 | -152.5 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 372 | R | 26.7 | Very low | 29.3 | Very low | 193 Ų | 193 | 137.1 Ų | 137.1 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | trans | -3 | 138.6 | 135.9 | 174.7 | -173.8 | -174.7 | -167.3 | 0.8 | 117.8 | ||||
| 373 | E | 26.8 | Very low | 28.8 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -158.5 | 153.7 | 133.2 | -127.8 | 77.1 | -97.7 | 0 | 0 | 109.4 | ||||
| 374 | D | 26.4 | Very low | 28.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | trans | -101.4 | 142.7 | 179.6 | -65.8 | -77.9 | 0 | 0 | 0 | 111.8 | ||||
| 375 | K | 30 | Very low | 28.3 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | 165.3 | 129.5 | 122.8 | -91.5 | 176.1 | 176.2 | -172.8 | 0 | 116.5 | |||||
| 376 | E | 25.8 | Very low | 28.4 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | 35.8 | 153.5 | 123.5 | -52.2 | 177.2 | 143.9 | 0 | 0 | 123.7 | |||||
| 377 | V | 28.2 | Very low | 28.2 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 92% | 0.921 | 76% | 0.761 | S | S | * | * | trans | 75.3 | 143.6 | 162.9 | -165.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 378 | G | 29.7 | Very low | 28.3 | Very low | 71 Ų | 71 | 144.6 Ų | 144.6 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 138.7 | 55.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 379 | D | 27.8 | Very low | 28.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -45.2 | 153.1 | 168.6 | -111.6 | -30 | 0 | 0 | 0 | 117.1 | ||||
| 380 | Y | 27.9 | Very low | 28.8 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | trans | 41.4 | 123.1 | 161.3 | -64.6 | -83.3 | 0 | 0 | 0 | 121.7 | ||||
| 381 | G | 26.7 | Very low | 29.1 | Very low | 84 Ų | 84 | 145 Ų | 145 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -165.9 | 96.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 382 | S | 28.7 | Very low | 29.3 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -50.7 | 137.9 | -178.6 | -162.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 383 | N | 26.8 | Very low | 29.3 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 52.5 | 143.1 | 140 | -93.1 | -59.2 | 0 | 0 | 0 | 125 | ||||
| 384 | R | 32.1 | Very low | 30.1 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | 73.5 | 109.7 | 146.9 | -70.8 | 174.8 | 176.3 | -170.3 | -1.8 | 121.4 | ||||
| 385 | N | 26.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | 30.4 | 131.4 | 130.7 | -61.3 | 6.4 | 0 | 0 | 0 | 122.5 | ||||
| 386 | S | 33.8 | Very low | 30 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | 79.6 | 156.5 | 145 | 87.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 387 | I | 31.8 | Very low | 30.7 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | cis | -162.6 | 159.4 | 6.1 | -144.6 | 168.3 | 0 | 0 | 0 | 112.4 | ||||
| 388 | C | 30.8 | Very low | 30.7 | Very low | 101 Ų | 101 | 140 Ų | 140 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | 67.5 | 163.3 | 156.1 | -72 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 389 | M | 34.6 | Very low | 30.7 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | cis | -168.2 | 173.6 | -9.8 | -111.6 | -71.6 | -177.8 | 0 | 0 | 114.5 | ||||
| 390 | L | 33.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | 68.4 | 136 | 159.2 | -91.4 | 44.3 | 0 | 0 | 0 | 118.4 | ||||
| 391 | K | 30.6 | Very low | 31 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | cis | 96.2 | 125 | 38.5 | -167.8 | 178.9 | -174.6 | 177.8 | 0 | 110.6 | ||||
| 392 | K | 31.1 | Very low | 30.9 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | -173.3 | 169.3 | 62.4 | -155.6 | 175.6 | 177.8 | -171.8 | 0 | 112.3 | |||||
| 393 | N | 26.5 | Very low | 31.5 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -91.8 | -168.8 | 175.4 | -57.8 | 3.5 | 0 | 0 | 0 | 111.6 | ||||
| 394 | P | 43.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -153.6 | -166.2 | 13.2 | 44.3 | -20.1 | 0 | 0 | 0 | 120.4 | ||||
| 395 | L | 27.5 | Very low | 31.3 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | 91.8 | 171.7 | 158.9 | -68.5 | 159.3 | 0 | 0 | 0 | 120.8 | ||||
| 396 | D | 26.6 | Very low | 31.3 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -149.1 | -167.8 | -150.4 | -153 | 34.3 | 0 | 0 | 0 | 109.6 | ||||
| 397 | P | 39.3 | Very low | 30.9 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -147.6 | 178.8 | 2.9 | 46.7 | -26.5 | 0 | 0 | 0 | 120.5 | ||||
| 398 | S | 28.7 | Very low | 30.7 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 78.2 | 146.3 | 146.6 | -149 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 399 | H | 30.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | 76.1 | 132.5 | 157.1 | -82.8 | -59.9 | 0 | 0 | 0 | 125.6 | ||||
| 400 | Q | 29.4 | Very low | 30.5 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 73% | 0.728 | S | S | * | * | trans | 83.2 | 127.2 | 141.6 | -75.6 | -165.4 | 49.1 | 0 | 0 | 125.5 | ||||
| 401 | V | 31.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | 76.6 | 152.8 | 135 | 176.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 402 | K | 26.1 | Very low | 30 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -90.8 | 175.6 | -179.2 | -68.4 | 179.2 | 176.2 | 176.7 | 0 | 111.8 | ||||
| 403 | P | 41.3 | Very low | 29.8 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | cis | -131.8 | -179 | -8.3 | 32.6 | -12.1 | 0 | 0 | 0 | 115.7 | ||||
| 404 | A | 26 | Very low | 29.8 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | 94.4 | 139 | 144.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 405 | K | 27.6 | Very low | 28.9 | Very low | 175 Ų | 175 | 133.9 Ų | 133.9 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | trans | 74.8 | 133.4 | 165.4 | -78.9 | 179.7 | 146.6 | -119.1 | 0 | 121.5 | ||||
| 406 | E | 26 | Very low | 29.3 | Very low | 148 Ų | 148 | 133 Ų | 133 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | 66.1 | 112.1 | 142.7 | -69.5 | 166.5 | 127.2 | 0 | 0 | 122.4 | ||||
| 407 | E | 25.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 54% | 0.542 | 71% | 0.707 | S | S | . | * | trans | 67.1 | 154.5 | 138.6 | -61.6 | -148.7 | 130.8 | 0 | 0 | 124.5 | V366 | V366-E407 HydrophobicContact CG1-CB 3.72Å; V366-E407 VanDerWaalsContact CG1-CD 3.43Å; V366-E407 HydrophobicContact CG1-CG 3.6Å; V366-E407 WeakPolarHBondContact CG1-OE1 3.43Å | ||
| 408 | T | 27.3 | Very low | 28.9 | Very low | 92 Ų | 92 | 138 Ų | 138 | 56% | 0.564 | 71% | 0.709 | S | S | * | * | trans | 61.9 | 91.1 | 165.3 | 50.2 | 0 | 0 | 0 | 0 | 124.6 | V366 | V366-T408 HydrophobicContact CB-CG2 4.06Å; V366-T408 HydrophobicContact CG1-CG2 3.86Å | ||
| 409 | L | 32.1 | Very low | 29.1 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 40% | 0.398 | 71% | 0.708 | S | S | . | * | 45.4 | 108.9 | 112.2 | -92.4 | 173.6 | 0 | 0 | 0 | 120.7 | S365 V366 | S365-L409 WeakPolarHBondContact O-CD2 3.35Å; S365-L409 WeakPolarHBondContact O-CG 3.35Å; V366-L409 HydrophobicContact CB-CD1 4.06Å; V366-L409 HydrophobicContact CB-CG 4.15Å; V366-L409 HydrophobicContact CG2-CG 4.32Å; V366-L409 WeakPolarHBondContact O-CD1 3.45Å | |||
| 410 | K | 29.3 | Very low | 29.2 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 73% | 0.73 | 71% | 0.707 | S | S | * | * | 157.1 | 159.4 | 106.1 | -88.1 | 149.8 | -173.5 | 163.1 | 0 | 116.8 | |||||
| 411 | N | 27.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | trans | 84.3 | 92.2 | 149.2 | -72.8 | -37.4 | 0 | 0 | 0 | 122 | ||||
| 412 | K | 26.8 | Very low | 29.2 | Very low | 180 Ų | 180 | 134.3 Ų | 134.3 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | 76.2 | 124.6 | 109 | -80.2 | -178.9 | -179.5 | 168.4 | 0 | 122.5 | |||||
| 413 | V | 27.1 | Very low | 29.2 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | 93.8 | 108.9 | 126.3 | 169.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 414 | F | 25 | Very low | 28.6 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 50% | 0.504 | 70% | 0.701 | S | S | . | * | trans | 32.7 | 136.2 | 138.2 | -62.3 | -85.8 | 0 | 0 | 0 | 120.3 | R357 | R357-F414 HydrophobicContact CG-CZ 4.11Å; R357-F414 VanDerWaalsContact NE-CZ 3.3Å | ||
| 415 | S | 25.8 | Very low | 29 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | -173.2 | 169.9 | 61.9 | 51 | 0 | 0 | 0 | 0 | 115 | |||||
| 416 | L | 35.2 | Very low | 29 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 69% | 0.694 | S | S | * | * | trans | -94 | 152.1 | -178.4 | -62.3 | 86 | 0 | 0 | 0 | 114.3 | ||||
| 417 | K | 30 | Very low | 29.1 | Very low | 197 Ų | 197 | 138.3 Ų | 138.3 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | trans | -158.7 | 131.7 | 130.8 | -97.8 | 164.2 | -177.1 | 179.3 | 0 | 107.6 | ||||
| 418 | K | 29 | Very low | 29.3 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | 78.8 | 117.6 | 59.3 | -156.7 | -165.3 | 175.9 | -168.7 | 0 | 110.9 | |||||
| 419 | S | 32.5 | Very low | 29.3 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | -177.4 | 142.6 | 79.1 | -61.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 420 | H | 33 | Very low | 29.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | 65.7 | 166.6 | 129.7 | -77 | -105.4 | 0 | 0 | 0 | 124.7 | |||||
| 421 | S | 28.8 | Very low | 29 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | trans | 95.1 | 145.3 | 166.9 | -144.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 422 | S | 31.8 | Very low | 29.1 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | cis | -172.6 | 160.6 | -27.6 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 423 | Y | 25.4 | Very low | 29.2 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | trans | 79.4 | 177.1 | 156.5 | -109 | -112.9 | 0 | 0 | 0 | 123.3 | ||||
| 424 | D | 29.9 | Very low | 29.2 | Very low | 123 Ų | 123 | 142 Ų | 142 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | -151.7 | 164.3 | -138.2 | 174.1 | 46 | 0 | 0 | 0 | 113.8 | ||||
| 425 | H | 32.6 | Very low | 29.2 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 63% | 0.634 | 76% | 0.76 | S | S | * | * | trans | 157.7 | 138.7 | 135.2 | -82.2 | -19.2 | 0 | 0 | 0 | 119 | ||||
| 426 | V | 27.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | 61.8 | 114.3 | 136.5 | 176.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 427 | R | 28.2 | Very low | 29 | Very low | 217 Ų | 217 | 146.5 Ų | 146.5 | 82% | 0.819 | 76% | 0.757 | S | S | * | * | 70.1 | 140.9 | 53.3 | -160 | 146.2 | 84.2 | 143.9 | 2 | 113 | |||||
| 428 | D | 29.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 54% | 0.54 | 76% | 0.756 | S | S | . | * | cis | -162.4 | 172.2 | 24.9 | -140.2 | -7.5 | 0 | 0 | 0 | 114.7 | ||||
| 429 | Q | 29.2 | Very low | 28.8 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 62.6 | 158.5 | 149.9 | -73.9 | 168.5 | 58.8 | 0 | 0 | 120.9 | ||||
| 430 | N | 26.9 | Very low | 28.6 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 60% | 0.599 | 76% | 0.761 | S | S | * | * | cis | -154.2 | 172.4 | -1.2 | -135.4 | 14.6 | 0 | 0 | 0 | 115.9 | ||||
| 431 | E | 27.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | 64.1 | 108.4 | 146.7 | -79.2 | 160.1 | 130.5 | 0 | 0 | 125.3 | ||||
| 432 | D | 29.6 | Very low | 28.3 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | 29.7 | 130.8 | 120.4 | -60.3 | -24.4 | 0 | 0 | 0 | 124.3 | |||||
| 433 | A | 29 | Very low | 28.1 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -160.6 | 143.1 | 143 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 434 | N | 26.3 | Very low | 28.1 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -94.3 | 146.1 | 173 | -83.8 | -66.1 | 0 | 0 | 0 | 112.6 | ||||
| 435 | R | 26.1 | Very low | 27.9 | Very low | 256 Ų | 256 | 142.3 Ų | 142.3 | 97% | 0.966 | 77% | 0.767 | S | S | * | * | trans | -171.4 | 155.3 | 134.8 | -107.4 | 168.6 | -166 | -145.8 | 2.5 | 112.8 | ||||
| 436 | A | 26.6 | Very low | 27.6 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -134.2 | 157.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 437 | T | 29.3 | Very low | 27.6 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | 169.7 | 134.7 | 141.8 | 35.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 438 | A | 26.8 | Very low | 27.6 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 55.8 | 167.4 | 144 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 439 | D | 27.3 | Very low | 27.4 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -166.4 | 164.7 | -41.8 | -175.3 | 24.7 | 0 | 0 | 0 | 107.5 | ||||
| 440 | K | 28.9 | Very low | 27.4 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | 62 | 117 | 165.6 | -76.4 | 173.5 | -174 | -178.6 | 0 | 121.7 | ||||
| 441 | M | 29.6 | Very low | 27.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | 53.7 | 140 | 105.8 | -159.6 | 68.8 | 178.1 | 0 | 0 | 122.2 | |||||
| 442 | E | 26 | Very low | 27.3 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | 92.1 | 168.2 | 153.1 | -112.3 | 157.5 | -114.4 | 0 | 0 | 121.7 | ||||
| 443 | T | 27.7 | Very low | 27.4 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -140.2 | 129 | -144.3 | 53 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 444 | A | 25.4 | Very low | 27.2 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -163.3 | 138.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 445 | T | 26 | Very low | 27.3 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | cis | 67.3 | 92.7 | 47.6 | 64.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 446 | N | 26 | Very low | 27.3 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 174.6 | 131.1 | 131.8 | -83.6 | -13.5 | 0 | 0 | 0 | 107.9 | ||||
| 447 | E | 28 | Very low | 27.7 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | 84.9 | 132.7 | 53.3 | -78.8 | -66.3 | 170.7 | 0 | 0 | 114.5 | |||||
| 448 | G | 27.8 | Very low | 27.5 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 114.2 | 103.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 449 | S | 24.3 | Very low | 27.5 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | cis | 96.1 | 113 | 43.4 | -176.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 450 | L | 30.3 | Very low | 27.3 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | -166 | 172.7 | 124.6 | -109.5 | 169.6 | 0 | 0 | 0 | 112 | |||||
| 451 | L | 27.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -143 | 149.2 | -156.4 | -130.9 | 170.4 | 0 | 0 | 0 | 111.9 | ||||
| 452 | D | 25.5 | Very low | 26.9 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 71.2 | 159.8 | 152.8 | -128.7 | 31.1 | 0 | 0 | 0 | 117.7 | ||||
| 453 | T | 31 | Very low | 26.9 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | cis | -151 | -175.7 | 4.4 | -32.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 454 | L | 26.3 | Very low | 26.8 | Very low | 150 Ų | 150 | 141 Ų | 141 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 98 | 74.4 | 146.9 | -73.1 | 161 | 0 | 0 | 0 | 122.6 | ||||
| 455 | M | 27.8 | Very low | 26.8 | Very low | 146 Ų | 146 | 142 Ų | 142 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | 49.8 | 123.9 | 109.6 | -66.7 | -76.7 | -101.9 | 0 | 0 | 123.3 | |||||
| 456 | G | 25.9 | Very low | 26.6 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -152.4 | 147.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 457 | K | 33.8 | Very low | 26.6 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | -133.8 | 133.8 | -164.1 | -64.2 | 176.4 | 179.8 | 172.6 | 0 | 116.2 | ||||
| 458 | K | 26.2 | Very low | 26.6 | Very low | 195 Ų | 195 | 142.8 Ų | 142.8 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | 157.5 | 120.4 | 129.7 | -86.7 | 169.6 | -178.9 | 180 | 0 | 110.9 | |||||
| 459 | L | 26 | Very low | 26.5 | Very low | 159 Ų | 159 | 145 Ų | 145 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | 80.6 | 128.2 | 84.3 | -137.4 | 76.4 | 0 | 0 | 0 | 111.9 | |||||
| 460 | V | 24 | Very low | 26.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | -166.4 | 130.2 | 56.7 | 163.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 461 | K | 25.5 | Very low | 26.9 | Very low | 195 Ų | 195 | 142 Ų | 142 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | 53.2 | 156.8 | 152.7 | -91.5 | 161.7 | 174 | 165.2 | 0 | 120.8 | ||||
| 462 | K | 25.2 | Very low | 27 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | cis | -150.8 | 161.7 | 10.7 | -156.1 | 173 | 175.5 | -172.6 | 0 | 112.8 | ||||
| 463 | K | 24.9 | Very low | 26.9 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -53.6 | 144.4 | 174 | -94.9 | -172.4 | 171.4 | -171.6 | 0 | 115.2 | ||||
| 464 | S | 25.4 | Very low | 26.6 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | 73.3 | 157.2 | 80.7 | 102.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 465 | S | 25.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | cis | -166.8 | 164.1 | 9 | 25.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 466 | E | 22.9 | Very low | 26.7 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -136.4 | 149.2 | -180 | -170.3 | 168.4 | -153.6 | 0 | 0 | 112 | ||||
| 467 | N | 25.2 | Very low | 26.8 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -157.9 | 130.2 | -177.2 | -112.6 | -12.8 | 0 | 0 | 0 | 112.4 | ||||
| 468 | I | 28 | Very low | 26.8 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | 34.6 | 128.3 | 120.8 | -55.1 | 179 | 0 | 0 | 0 | 116.7 | |||||
| 469 | S | 24.9 | Very low | 27.2 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -159.8 | -178.5 | 16.6 | 43.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 470 | A | 28.7 | Very low | 27.4 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -69.3 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 471 | P | 35.6 | Very low | 27.6 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | -142.3 | -157.5 | 81.6 | 41.6 | -24.3 | 0 | 0 | 0 | 115.9 | |||||
| 472 | S | 28.3 | Very low | 27.6 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -103.5 | 156.7 | -157.5 | 52.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 473 | E | 23.8 | Very low | 27.7 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -178.1 | 154.4 | 137.4 | -98.1 | 178.9 | 157.7 | 0 | 0 | 107.9 | ||||
| 474 | S | 25.6 | Very low | 28 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | 85.7 | 128.7 | 41.3 | -51.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 475 | T | 28.8 | Very low | 28.3 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | cis | -122.3 | -128.2 | -6.4 | 49.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 476 | E | 25.8 | Very low | 28.5 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | cis | -159.3 | 141.2 | 1.1 | -166.2 | 80.2 | -51.1 | 0 | 0 | 112.4 | ||||
| 477 | S | 28.2 | Very low | 29 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 65.6 | 166.8 | 151.6 | 76 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 478 | V | 33.5 | Very low | 29.3 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -140 | 141.4 | 171.9 | 169.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 479 | P | 35.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -138 | 114.8 | 144.2 | 32.3 | -16.2 | 0 | 0 | 0 | 115.3 | ||||
| 480 | L | 30.6 | Very low | 30 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | 28 | 140.7 | 131.4 | -72.7 | 170.5 | 0 | 0 | 0 | 123.6 | ||||
| 481 | V | 26.9 | Very low | 30.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | 81 | 127.2 | 144.7 | 169.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 482 | C | 26.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 134.9 | 176.4 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 483 | K | 27.5 | Very low | 29.7 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 123.7 | 164.5 | -82.2 | 178.9 | 173.8 | 173.8 | 0 | 110.7 | ||
| 484 | S | 30.7 | Very low | 30.1 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 153.3 | 165 | -63.6 | 0 | 0 | 0 | 0 | 111 | ||
| 485 | A | 31.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 140 Ų | 140 | 88% | 0.884 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 147.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 486 | S | 28.3 | Very low | 31 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -119.7 | 146 | 174 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 487 | A | 34.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 140.1 Ų | 140.1 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -128.6 | 152 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 488 | H | 32 | Very low | 31.1 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -82.5 | 155.4 | -159.5 | -77.6 | -117.2 | 0 | 0 | 0 | 115.3 | ||||
| 489 | N | 32.9 | Very low | 31.4 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -70.5 | 159.4 | 171.8 | -66.7 | -61.4 | 0 | 0 | 0 | 112.8 | ||||
| 490 | L | 34.2 | Very low | 31.2 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | -162.3 | 160.7 | 112.2 | -103.6 | 168.8 | 0 | 0 | 0 | 112.5 | |||||
| 491 | T | 31.2 | Very low | 31.2 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -88.1 | 164.9 | -176.5 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 492 | A | 28.9 | Very low | 31.4 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | cis | -163.1 | 143.4 | 49.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 493 | D | 27.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 97.5 | 160.4 | 84.6 | -173.9 | 42.2 | 0 | 0 | 0 | 114.1 | |||||
| 494 | K | 30.7 | Very low | 31.7 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 87.2 | 106.6 | 179.8 | -56.6 | -176.9 | -179 | 179.5 | 0 | 117.8 | ||||
| 495 | K | 33.4 | Very low | 31.8 | Very low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 81% | 0.807 | S | S | * | * | trans | -90.3 | 174.3 | 150.5 | -75.9 | 179.4 | -179.3 | 174.2 | 0 | 108.9 | ||||
| 496 | P | 41.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | cis | -129.2 | -172 | 6.8 | 40.8 | -23.5 | 0 | 0 | 0 | 114.5 | ||||
| 497 | I | 27.9 | Very low | 32.1 | Very low | 163 Ų | 163 | 150 Ų | 150 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | 151.5 | 131.6 | 144.7 | -78.9 | 159.8 | 0 | 0 | 0 | 111 | ||||
| 498 | H | 27.7 | Very low | 32.2 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -98.2 | 163 | 164.4 | -92.5 | -88.9 | 0 | 0 | 0 | 108.7 | ||||
| 499 | P | 40.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | cis | -147 | -178.5 | 21.6 | 44.3 | -25.1 | 0 | 0 | 0 | 118 | ||||
| 500 | R | 30.5 | Very low | 32.2 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | 77.8 | 127.8 | 139.9 | -146.1 | 174.6 | -163.1 | 160.5 | 4 | 121.7 | ||||
| 501 | A | 30.6 | Very low | 32.3 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | 62.9 | 134.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 502 | S | 31.2 | Very low | 32.3 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | cis | -160.7 | -170.5 | -1.2 | 60.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 503 | M | 30.4 | Very low | 32.6 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | cis | -158.1 | 174 | 11.6 | -145.4 | -164.6 | -65.3 | 0 | 0 | 111.2 | ||||
| 504 | L | 31.2 | Very low | 33.1 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 35 | 84.3 | 157.7 | -71.4 | 173 | 0 | 0 | 0 | 119 | ||||
| 505 | Q | 32.9 | Very low | 33.2 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -103.2 | 130 | 145.9 | -176.4 | -179.1 | -0.3 | 0 | 0 | 108.6 | ||||
| 506 | K | 33.3 | Very low | 32.9 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | trans | -137.1 | 117 | 163.5 | -108.5 | -172.6 | 177 | -175.7 | 0 | 110.7 | ||||
| 507 | S | 31.5 | Very low | 32.9 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -84.1 | 169 | 175.1 | 42.5 | 0 | 0 | 0 | 0 | 112 | S509 | S507-S509 PolarHBondContact O-N 3.22Š| ||
| 508 | L | 37.1 | Very low | 33.2 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -32.6 | 117.7 | 169.8 | -66.7 | 157.9 | 0 | 0 | 0 | 114.8 | ||||
| 509 | S | 32.1 | Very low | 33.2 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -179.9 | 124.1 | 130.2 | 34.6 | 0 | 0 | 0 | 0 | 111.2 | S507 | S507-S509 PolarHBondContact O-N 3.22Š| ||
| 510 | V | 32.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -132 | 108.4 | 157.7 | 175.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 511 | I | 36.3 | Very low | 32.7 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -124.3 | 134.3 | 164.5 | -60.6 | 170.6 | 0 | 0 | 0 | 104.8 | ||||
| 512 | A | 32.4 | Very low | 32.7 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -144.6 | 123.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 513 | S | 35.3 | Very low | 32.6 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -121.5 | 157.9 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 514 | A | 36.4 | Very low | 32.5 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -136.1 | 141.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 515 | K | 32.7 | Very low | 32.4 | Very low | 177 Ų | 177 | 138 Ų | 138 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | cis | -166.5 | 132.3 | 25.7 | 168.8 | -170.8 | 170.6 | -168.8 | 0 | 111 | ||||
| 516 | E | 28.4 | Very low | 32.1 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -159.6 | 168.5 | 137.4 | -160.4 | 69 | -92.9 | 0 | 0 | 108.7 | ||||
| 517 | K | 40.5 | Very low | 31.7 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -104.1 | 167.2 | -169.3 | -61.6 | 173 | -178.6 | 175.3 | 0 | 111.3 | ||||
| 518 | T | 33.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | cis | -171.8 | 155 | -18.9 | 30.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 519 | L | 28.4 | Very low | 30.9 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | 67 | 144.1 | 166.8 | -61.1 | 145.2 | 0 | 0 | 0 | 115.9 | ||||
| 520 | G | 29.2 | Very low | 30.8 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 170.1 | 161.5 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 521 | L | 31.5 | Very low | 30.6 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 69.7 | 94.2 | 156.9 | -68.2 | 158 | 0 | 0 | 0 | 120.9 | ||||
| 522 | T | 29.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | 52.5 | 124.9 | 122.5 | 56.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 523 | G | 28.7 | Very low | 30.1 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -166.1 | 128.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 524 | K | 29.8 | Very low | 29.6 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | -115.1 | 138 | -157.7 | -151.3 | -171.6 | -178.3 | -176.4 | 0 | 113.6 | ||||
| 525 | T | 28.7 | Very low | 29 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | trans | 64.2 | 127 | 148.8 | 37.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 526 | Q | 26.6 | Very low | 28.7 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | 81.3 | 122.2 | 129.2 | -79.1 | 176.3 | -60.6 | 0 | 0 | 124.5 | |||||
| 527 | S | 24.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | 88.5 | 124.2 | 126.6 | -140.9 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 528 | S | 25.8 | Very low | 28.6 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | 56.7 | 138.7 | 133.6 | 58.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 529 | E | 26.5 | Very low | 28.3 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | 83 | 91.7 | 145.4 | -75.8 | 167.1 | 106.3 | 0 | 0 | 122.8 | ||||
| 530 | D | 29.4 | Very low | 28.5 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | 81.7 | 165.3 | 105.1 | -145.7 | 7.8 | 0 | 0 | 0 | 122.8 | |||||
| 531 | S | 29.2 | Very low | 28.4 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | 82.6 | 165.7 | 165.7 | -76.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 532 | N | 28.1 | Very low | 28.4 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -154.8 | 161.3 | -137.3 | -161 | -12.9 | 0 | 0 | 0 | 113.9 | ||||
| 533 | K | 29.5 | Very low | 28.3 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | 69 | 106 | 165.1 | -69.4 | 172.7 | -176.6 | 167.7 | 0 | 121.6 | ||||
| 534 | K | 25.3 | Very low | 28.3 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | 84.9 | 146.2 | 109.2 | -161.1 | 175.4 | 179.2 | 178.8 | 0 | 121.8 | |||||
| 535 | S | 23.3 | Very low | 28.1 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | 88.3 | 102.8 | 153.2 | 25.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 536 | Q | 26.1 | Very low | 28.2 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | 64.3 | 168.5 | 128.4 | -74.4 | -89.7 | -19.7 | 0 | 0 | 119 | |||||
| 537 | P | 41.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -135.7 | 153.6 | 1.4 | 40.9 | -22.8 | 0 | 0 | 0 | 119.5 | ||||
| 538 | K | 25 | Very low | 28.3 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | 54.7 | 115.8 | 126.2 | -168.8 | -174.7 | -178.3 | 179.5 | 0 | 124.9 | |||||
| 539 | S | 28 | Very low | 28.3 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | -156.7 | 127.9 | 126.1 | 46.8 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 540 | K | 32.4 | Very low | 28.2 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | 62.8 | 133 | 72.9 | -98.4 | -175 | 156.3 | -78.3 | 0 | 113 | |||||
| 541 | D | 28.3 | Very low | 28 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | cis | -159.9 | 170.4 | 22.4 | -117.7 | -39.2 | 0 | 0 | 0 | 110.2 | ||||
| 542 | T | 31.2 | Very low | 27.8 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 61% | 0.613 | 76% | 0.758 | S | S | * | * | cis | -164.5 | 166.5 | -7.2 | -148.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 543 | K | 27 | Very low | 27.5 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 63.3 | 133.9 | 168.8 | -73.3 | 169.5 | 179.8 | 179.4 | 0 | 118.3 | ||||
| 544 | A | 27.4 | Very low | 27.9 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | cis | 98.1 | 147.4 | 34.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 545 | N | 26 | Very low | 28.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | cis | -138 | -171.6 | 13.8 | -154.9 | 18.1 | 0 | 0 | 0 | 112.5 | ||||
| 546 | A | 30.9 | Very low | 28.1 | Very low | 83 Ų | 83 | 142.6 Ų | 142.6 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | -116.3 | -177.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 547 | E | 25.8 | Very low | 28.5 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | 94 | 170.7 | 176.3 | -54.6 | -159.1 | 132.3 | 0 | 0 | 117.1 | ||||
| 548 | A | 28.4 | Very low | 27.8 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -134.9 | 170.6 | -123.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 549 | E | 24.1 | Very low | 27.9 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 85.7 | 128.9 | 162.4 | -124.4 | -160.9 | 110.5 | 0 | 0 | 121.3 | ||||
| 550 | N | 24.6 | Very low | 27.8 | Very low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | 88.8 | 130.2 | 145.3 | -122.6 | -46.5 | 0 | 0 | 0 | 123.3 | ||||
| 551 | D | 25.6 | Very low | 27.5 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 59.8 | 143.1 | 166.4 | -121.2 | -34.2 | 0 | 0 | 0 | 125.3 | ||||
| 552 | C | 24.1 | Very low | 27.5 | Very low | 108 Ų | 108 | 141 Ų | 141 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | 50.2 | 96.1 | 159.2 | -80.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 553 | Q | 23.5 | Very low | 27.2 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -160.1 | 155.7 | 116 | -108.6 | -160.1 | 28.3 | 0 | 0 | 113.9 | |||||
| 554 | P | 36.9 | Very low | 27.1 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -105.5 | 139.7 | -179.5 | 37.4 | -29.9 | 0 | 0 | 0 | 114.1 | ||||
| 555 | K | 28.8 | Very low | 27 | Very low | 208 Ų | 208 | 150 Ų | 150 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | 171.9 | 111.2 | 126.3 | -95.7 | 158.7 | -176 | 172.1 | 0 | 110.2 | |||||
| 556 | M | 24.3 | Very low | 27 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | trans | -126.6 | 140.9 | 169.6 | -130.1 | 177.7 | 71.4 | 0 | 0 | 111.9 | I558 | M556-I558 HydrophobicContact CE-CD1 4.33Š| ||
| 557 | I | 34.8 | Very low | 26.8 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -60.7 | 152 | 171.1 | -42.1 | 158.6 | 0 | 0 | 0 | 109 | ||||
| 558 | I | 26.9 | Very low | 26.8 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | -179.6 | 131.3 | 125.9 | -94.4 | 156.9 | 0 | 0 | 0 | 112.7 | M556 | M556-I558 HydrophobicContact CE-CD1 4.33Š| |||
| 559 | S | 26.8 | Very low | 26.7 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | 32.2 | 136.2 | 152.3 | -53.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 560 | Q | 25.8 | Very low | 27 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | -163.5 | 174.2 | 93.1 | -104.2 | -175.8 | 17.2 | 0 | 0 | 113.9 | |||||
| 561 | S | 27.4 | Very low | 27.3 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 162.3 | 175 | 47.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 562 | V | 27.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 150 Ų | 150 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | 178.4 | 158.7 | 122.7 | 147.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 563 | D | 25.8 | Very low | 27.9 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -54.8 | 146.5 | 176.7 | -59.9 | -97 | 0 | 0 | 0 | 115 | ||||
| 564 | Y | 24 | Very low | 28.1 | Very low | 224 Ų | 224 | 151.6 Ų | 151.6 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | -178.1 | 129.6 | 123 | -104.7 | -72.4 | 0 | 0 | 0 | 108.7 | |||||
| 565 | K | 24.6 | Very low | 27.9 | Very low | 211 Ų | 211 | 154.6 Ų | 154.6 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -147.4 | 83.4 | 170.8 | -155.5 | 171 | -170.3 | 175.5 | 0 | 113.9 | ||||
| 566 | Q | 26.4 | Very low | 28.1 | Very low | 179 Ų | 179 | 152.3 Ų | 152.3 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -92.7 | 135 | 167.9 | -172.8 | 172.6 | 1.3 | 0 | 0 | 111 | ||||
| 567 | S | 26.5 | Very low | 29.2 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 22.6 | 133.3 | 156.5 | -153.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 568 | A | 25.8 | Very low | 29 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 69.3 | 162.7 | 153 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 569 | A | 26.5 | Very low | 29 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | cis | -144.6 | 163.3 | 5.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 570 | K | 30 | Very low | 29 | Very low | 205 Ų | 205 | 146 Ų | 146 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | 31.4 | 115 | 151.2 | -64.2 | 177.1 | 179.9 | 177.2 | 0 | 118.9 | ||||
| 571 | G | 30.9 | Very low | 29.1 | Very low | 85 Ų | 85 | 142.3 Ų | 142.3 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -73.2 | 177.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 572 | R | 23.1 | Very low | 29.2 | Very low | 234 Ų | 234 | 146.7 Ų | 146.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -124.3 | 125.2 | -179.3 | -170.7 | 178.5 | -170.2 | 178.1 | 8.1 | 112 | ||||
| 573 | I | 39.3 | Very low | 29.9 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 149.6 | 171.8 | -65.2 | 169.2 | 0 | 0 | 0 | 109.8 | ||||
| 574 | M | 27.3 | Very low | 29.9 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 84% | 0.837 | 80% | 0.801 | S | S | * | * | trans | -92.6 | 121.4 | -176.6 | -166.8 | 149.9 | 109.2 | 0 | 0 | 112.2 | ||||
| 575 | K | 32.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | 29.6 | 145.6 | 133.1 | -64.7 | -176.5 | 178.2 | -177.7 | 0 | 118.8 | ||||
| 576 | Q | 33.6 | Very low | 30 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -166.9 | -160.6 | 17.6 | -127 | -175.9 | -49.1 | 0 | 0 | 108.4 | ||||
| 577 | P | 47.8 | Very low | 30 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -137 | -178.3 | 12.1 | 36.3 | -12.2 | 0 | 0 | 0 | 118.6 | ||||
| 578 | V | 29.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | 78.2 | 94.5 | 160.5 | -160.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 579 | T | 28.3 | Very low | 31.2 | Very low | 140 Ų | 140 | 136.6 Ų | 136.6 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | 39 | 142.3 | 116.9 | -39 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 580 | G | 26.7 | Very low | 31.5 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -174.8 | -44.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 581 | S | 28.5 | Very low | 31.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 40 | 106.2 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 582 | Q | 27.9 | Very low | 32 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | 61.9 | 170.3 | 137.8 | -74 | -161.7 | 7.8 | 0 | 0 | 121.5 | ||||
| 583 | P | 42.2 | Very low | 32.3 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -126.1 | -166.8 | -5.2 | 27.1 | -2.7 | 0 | 0 | 0 | 115.6 | ||||
| 584 | A | 25.6 | Very low | 32.1 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -75.4 | 169.1 | -170 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 585 | I | 27.9 | Very low | 32.6 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -166 | 145.9 | 140.3 | -102.4 | 156.8 | 0 | 0 | 0 | 110.9 | ||||
| 586 | C | 23.9 | Very low | 32.6 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 46.9 | 128.9 | 166.1 | -155.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 587 | S | 26.1 | Very low | 32.6 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -156.7 | 122 | 162.1 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 588 | D | 34 | Very low | 31.9 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -130.5 | 153.3 | 164.3 | -103.9 | -43.6 | 0 | 0 | 0 | 107.4 | ||||
| 589 | P | 44.3 | Very low | 32 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | cis | -128.6 | 170.1 | -16.8 | 37.3 | -20.6 | 0 | 0 | 0 | 114.1 | ||||
| 590 | V | 32.3 | Very low | 32.3 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | 19.6 | 139.4 | 144.8 | -176.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 591 | R | 37.5 | Very low | 32.5 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | cis | 178.5 | 127.9 | -21 | -176.3 | -175.9 | -153.7 | -154.1 | 7.9 | 111 | ||||
| 592 | G | 32.5 | Very low | 32.5 | Very low | 66 Ų | 66 | 144.7 Ų | 144.7 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 124.7 | 111.7 | 135.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 593 | K | 30.5 | Very low | 32.9 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | 77.4 | 148.1 | 146.1 | -62.5 | -178.1 | 176.1 | -179.1 | 0 | 120.5 | ||||
| 594 | D | 35.3 | Very low | 32.4 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -123 | 173.6 | -159.2 | -59.3 | -77.1 | 0 | 0 | 0 | 116.1 | ||||
| 595 | L | 36.9 | Very low | 32.6 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -94.3 | 168.3 | -170.8 | -85.6 | 77 | 0 | 0 | 0 | 113.6 | ||||
| 596 | Y | 32.4 | Very low | 32.8 | Very low | 207 Ų | 207 | 149 Ų | 149 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | cis | 69 | 136.3 | 43.2 | -70.1 | -77.1 | 0 | 0 | 0 | 114.5 | ||||
| 597 | D | 34.3 | Very low | 33 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | -167.1 | -176.1 | -13.4 | -155 | 168.4 | 0 | 0 | 0 | 111.5 | ||||
| 598 | V | 34.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | 65.5 | 147.6 | 166.3 | -118.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 599 | S | 30.8 | Very low | 33 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | cis | -143.3 | -169.1 | 19.7 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 600 | E | 33.8 | Very low | 32.7 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | cis | -143.1 | -164.1 | 20.2 | -61.9 | -178.2 | 89.4 | 0 | 0 | 112.7 | ||||
| 601 | V | 32.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 151 Ų | 151 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -133.8 | 154.2 | -166.6 | 172.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 602 | C | 27 | Very low | 32.5 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -120.8 | 136.5 | 166.3 | -59.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 603 | P | 36.3 | Very low | 32.2 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | trans | -99.1 | 163.3 | 164.9 | 38.8 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 604 | W | 32.1 | Very low | 32 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | cis | -151.1 | 154.5 | 29.4 | -64.7 | 85.3 | 0 | 0 | 0 | 113 | ||||
| 605 | E | 30.3 | Very low | 31.5 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -165 | 145.8 | 145.8 | -116.6 | 178.3 | -174.9 | 0 | 0 | 113 | ||||
| 606 | L | 31 | Very low | 31.1 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 81.8 | 145.6 | 159.6 | -90.6 | 68.8 | 0 | 0 | 0 | 125.7 | ||||
| 607 | E | 28.5 | Very low | 30.9 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -78.6 | -178.9 | -176.6 | -64.9 | 96.5 | 137.4 | 0 | 0 | 116.5 | ||||
| 608 | D | 31.9 | Very low | 30.6 | Very low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | cis | -162.3 | 153 | 3.6 | -135.2 | -11.9 | 0 | 0 | 0 | 115.1 | ||||
| 609 | L | 29.4 | Very low | 30.5 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | trans | 51.5 | 167.8 | 151.5 | -75.3 | 172.2 | 0 | 0 | 0 | 122.8 | ||||
| 610 | P | 38.1 | Very low | 30.4 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | cis | -127.2 | -161.8 | 15.3 | 44.5 | -27 | 0 | 0 | 0 | 117.7 | ||||
| 611 | T | 28.5 | Very low | 30.2 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -98.5 | 172.3 | -161.6 | 58.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 612 | P | 35.3 | Very low | 30 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | -150.8 | 167.4 | 99 | 40.7 | -24 | 0 | 0 | 0 | 118.6 | |||||
| 613 | S | 26.4 | Very low | 30.1 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 61.1 | 111.7 | 146.9 | 60.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 614 | E | 26.3 | Very low | 29.7 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | 82.6 | 116.3 | 122.8 | -66 | -139.1 | 127.6 | 0 | 0 | 125.1 | |||||
| 615 | N | 26.6 | Very low | 30.4 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | 79.4 | 121 | 124.7 | -63.1 | -19.8 | 0 | 0 | 0 | 124 | |||||
| 616 | K | 28.1 | Very low | 30.4 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | 121.7 | 103.5 | 120 | -150.8 | 164.5 | -173.7 | 170.8 | 0 | 119.8 | |||||
| 617 | I | 28.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 66% | 0.656 | 76% | 0.758 | S | S | * | * | trans | 70.2 | 107.6 | 138.3 | -64.2 | 177.2 | 0 | 0 | 0 | 120.5 | ||||
| 618 | Q | 27.8 | Very low | 30.4 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | 43.5 | 123.1 | 120 | -160.5 | -166 | 31 | 0 | 0 | 120.5 | |||||
| 619 | K | 32.1 | Very low | 30.3 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | -169.2 | 141.6 | 118.1 | -103.5 | 156.9 | -171.4 | 175.9 | 0 | 114.3 | |||||
| 620 | H | 27.8 | Very low | 30.2 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | -82.1 | 153.3 | 166.8 | -63.6 | -127.3 | 0 | 0 | 0 | 110 | ||||
| 621 | V | 30.6 | Very low | 29.8 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | trans | -133 | 147.3 | 137.2 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 622 | S | 26.8 | Very low | 29.7 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 58% | 0.58 | 76% | 0.764 | S | S | * | * | trans | -140.4 | 178.9 | -177 | -57.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 623 | I | 30.3 | Very low | 29.4 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | 82.5 | 145.4 | 167.9 | -55.2 | 152.6 | 0 | 0 | 0 | 114.2 | ||||
| 624 | A | 27 | Very low | 29.4 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -116.1 | -112.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 625 | P | 48.2 | Very low | 29.6 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | -118.1 | 159.7 | -102.7 | 35 | -24 | 0 | 0 | 0 | 114.5 | |||||
| 626 | T | 30.1 | Very low | 29.8 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | trans | -151.1 | 151.6 | 150.2 | 6.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 627 | E | 28.9 | Very low | 29.7 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -44.5 | 158.4 | 162.1 | -50.6 | 162.7 | 174.3 | 0 | 0 | 111.7 | ||||
| 628 | S | 29.9 | Very low | 29.6 | Very low | 97 Ų | 97 | 133.1 Ų | 133.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | cis | -174.5 | 161.7 | 46 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 629 | T | 29.1 | Very low | 29.7 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | 43.8 | 111.1 | 146.8 | 52.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 630 | T | 28.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | 82.1 | 160.5 | 125.9 | 63.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 631 | I | 29.7 | Very low | 29.9 | Very low | 161 Ų | 161 | 128 Ų | 128 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 86.6 | 118.2 | 170.2 | -52.9 | -174.1 | 0 | 0 | 0 | 116 | ||||
| 632 | H | 26.6 | Very low | 29.9 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -73 | 166 | 174.4 | -75.3 | -105.5 | 0 | 0 | 0 | 112.4 | ||||
| 633 | G | 27.2 | Very low | 30 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 120.6 | 77.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 634 | G | 27.7 | Very low | 30 | Very low | 84 Ų | 84 | 136 Ų | 136 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -74.1 | 152.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 635 | S | 29.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -142.5 | 158.1 | 158.3 | -163.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 636 | T | 30.7 | Very low | 29.1 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 158.8 | -163.4 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 637 | K | 27.8 | Very low | 29.1 | Very low | 207 Ų | 207 | 138.8 Ų | 138.8 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | trans | 44.1 | 126 | 143.1 | -63.4 | 168.1 | 177.1 | 178.1 | 0 | 117.7 | ||||
| 638 | G | 26.5 | Very low | 29.1 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | 140.1 | -166.2 | 25.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 639 | S | 28.1 | Very low | 29 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | 79.4 | 104 | 155.8 | -177.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 640 | K | 33.1 | Very low | 29 | Very low | 190 Ų | 190 | 140.7 Ų | 140.7 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 73.5 | 145.6 | 139.1 | -60.4 | 173.9 | -172 | 174.7 | 0 | 117.5 | ||||
| 641 | S | 30.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | -164.5 | 177.2 | 55.9 | -64.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 642 | Q | 31.3 | Very low | 29.4 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 109.7 | 63.9 | 137.5 | -153.3 | 156.7 | -14 | 0 | 0 | 122.6 | ||||
| 643 | K | 28.4 | Very low | 29.4 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | 34.9 | 120 | 116.8 | -175.5 | -173.4 | -179.1 | -177.5 | 0 | 121.2 | |||||
| 644 | Q | 30.7 | Very low | 29.5 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -151.8 | -173.3 | 130.3 | -119.8 | 171.5 | -5.6 | 0 | 0 | 112.5 | ||||
| 645 | K | 28.9 | Very low | 29.5 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -145.3 | 136.5 | -141.2 | 173.5 | -160.5 | 173.9 | -168 | 0 | 116 | ||||
| 646 | A | 27.6 | Very low | 29.6 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -160.4 | 162.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 647 | S | 29.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -75.5 | 168.3 | -175.9 | -84.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 648 | D | 29.1 | Very low | 29.5 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | cis | -160 | 171.9 | -4.7 | -123.1 | -54.8 | 0 | 0 | 0 | 114.5 | ||||
| 649 | Q | 29.4 | Very low | 29.5 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | 69.8 | 168.9 | 163.7 | -69.5 | -177.8 | 34.6 | 0 | 0 | 120.9 | ||||
| 650 | S | 28.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -154 | 174 | -161.4 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 651 | P | 40.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -138.4 | -175.4 | 11.5 | 42.7 | -23.5 | 0 | 0 | 0 | 117.1 | ||||
| 652 | S | 27.1 | Very low | 28.9 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 59.3 | 113.3 | 152.7 | 62.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 653 | G | 26.6 | Very low | 28.6 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | 79.8 | 129.4 | 118.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 654 | G | 28.8 | Very low | 28.5 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | 117.5 | 143.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 655 | K | 29 | Very low | 28.4 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -102.6 | 129.8 | -177.9 | -80.4 | -175.6 | 177.3 | -179.4 | 0 | 112.1 | ||||
| 656 | H | 29.6 | Very low | 28.2 | Very low | 185 Ų | 185 | 135 Ų | 135 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 51.1 | 117.6 | 152.8 | -69.3 | -80.9 | 0 | 0 | 0 | 120 | ||||
| 657 | S | 25.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -78 | 161.4 | 172.1 | 46 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 658 | K | 32.2 | Very low | 27.9 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -96.9 | 154.5 | 159.3 | -66.7 | 179.5 | 177.3 | 179.4 | 0 | 110.5 | ||||
| 659 | E | 26.1 | Very low | 27.8 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -169.7 | 140.8 | 161.2 | -165.1 | 55.3 | -82.6 | 0 | 0 | 105.4 | ||||
| 660 | S | 26.6 | Very low | 27.6 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 53% | 0.531 | 78% | 0.782 | S | S | . | * | cis | -148.9 | 177.3 | 1.6 | -140.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 661 | Q | 25.2 | Very low | 27.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -161.4 | -169.7 | -2.6 | -149.4 | 170.8 | 96.5 | 0 | 0 | 109.3 | ||||
| 662 | R | 27.2 | Very low | 27.7 | Very low | 207 Ų | 207 | 137.7 Ų | 137.7 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 68.8 | 149.9 | -78.5 | -170.7 | 172.8 | -165.4 | -6.3 | 120.8 | ||||
| 663 | T | 25.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 39.6 | 114.9 | 109.5 | 63.7 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 664 | T | 25.6 | Very low | 27.8 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | -161.8 | 126.7 | 120.6 | 18.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 665 | S | 27.7 | Very low | 27.8 | Very low | 108 Ų | 108 | 152.6 Ų | 152.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | 64.5 | 118.3 | 87.1 | -157 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 666 | V | 26.6 | Very low | 27.8 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 76% | 0.758 | 78% | 0.778 | S | S | * | * | cis | -159.2 | 155.9 | 8.2 | 91.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 667 | R | 25.4 | Very low | 28 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | 42.4 | 111.5 | 150.5 | -138.5 | 160.9 | -168.1 | 97.2 | 10 | 119.2 | ||||
| 668 | A | 25.2 | Very low | 28.1 | Very low | 79 Ų | 79 | 143.9 Ų | 143.9 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | 69.6 | 148 | 73.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 669 | E | 25.3 | Very low | 28 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | -163.8 | 175.8 | 10.6 | -139.1 | 168.9 | -109.2 | 0 | 0 | 111.9 | ||||
| 670 | V | 26.1 | Very low | 28.1 | Very low | 121 Ų | 121 | 140 Ų | 140 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 52 | 110.6 | 157.2 | -179.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 671 | C | 29.6 | Very low | 28.1 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -85 | 158.3 | 143.8 | -49.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 672 | P | 40.5 | Very low | 28 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | -161.8 | 176.9 | 60.9 | 40.1 | -16 | 0 | 0 | 0 | 120.6 | |||||
| 673 | W | 29.6 | Very low | 28.1 | Very low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | 80.3 | 135.6 | 155.5 | -57.2 | 121.5 | 0 | 0 | 0 | 123.7 | ||||
| 674 | E | 27.1 | Very low | 28.2 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 71.6 | 126.5 | 142.7 | -78.1 | 179.9 | 145.8 | 0 | 0 | 125.9 | ||||
| 675 | E | 28.5 | Very low | 28.2 | Very low | 195 Ų | 195 | 138.4 Ų | 138.4 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | 73.3 | 147.7 | 138.5 | -154.8 | 159.9 | -123.7 | 0 | 0 | 121.9 | ||||
| 676 | G | 27.5 | Very low | 28.1 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 116.1 | 136.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 677 | G | 34.4 | Very low | 28.9 | Very low | 56 Ų | 56 | 136.8 Ų | 136.8 | 58% | 0.577 | 78% | 0.781 | S | S | * | * | trans | -167.6 | 133.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 678 | E | 27.8 | Very low | 28.9 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -140.9 | 173.3 | -175.2 | -73.6 | -160.9 | 135.7 | 0 | 0 | 114.5 | ||||
| 679 | T | 29 | Very low | 28.9 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | -60.4 | 165.2 | -162.3 | 30.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 680 | Q | 30.1 | Very low | 29.1 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 102.8 | 107.5 | 134.4 | -93.3 | 176.1 | 27.7 | 0 | 0 | 123.6 | ||||
| 681 | A | 26.5 | Very low | 29.1 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | 70.2 | 110 | 112.8 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 682 | C | 22.7 | Very low | 29.1 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | 86.7 | 151.3 | 124.3 | -142.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 683 | L | 28.6 | Very low | 28.6 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 67.9 | 147.1 | 175.2 | -51 | 177.5 | 0 | 0 | 0 | 115.8 | ||||
| 684 | S | 27.6 | Very low | 28.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | cis | -144.5 | -162 | -0.5 | -156.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 685 | E | 25.8 | Very low | 28.7 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -83.4 | 129 | -160.2 | -56.9 | 176 | 103.3 | 0 | 0 | 118.9 | ||||
| 686 | G | 27 | Very low | 28.4 | Very low | 76 Ų | 76 | 138.7 Ų | 138.7 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 57.5 | 175 | 135.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 687 | P | 41.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -127 | 153.3 | -8.9 | 39.7 | -24.9 | 0 | 0 | 0 | 116.2 | ||||
| 688 | R | 26 | Very low | 27.9 | Very low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 23.9 | 120.3 | 153.8 | -64.1 | 177.5 | 172.2 | 173 | -2 | 120.5 | ||||
| 689 | Q | 26.7 | Very low | 28.2 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | -167.9 | 145.7 | 96.2 | -108.5 | -178.5 | -9.6 | 0 | 0 | 115.5 | |||||
| 690 | Q | 27.6 | Very low | 29.1 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | 49 | 123.3 | 149.4 | -77.9 | -176.6 | -61 | 0 | 0 | 124.6 | ||||
| 691 | V | 27.9 | Very low | 29.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | 94.8 | 126.2 | 129.9 | 170.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 692 | S | 29.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 83.1 | 134.2 | 156.3 | -160.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 693 | S | 30 | Very low | 29.7 | Very low | 89 Ų | 89 | 142 Ų | 142 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | trans | -60.9 | 175.4 | 168.8 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 694 | Q | 31.5 | Very low | 29.9 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | -167.8 | 175.2 | 33.3 | -152.1 | 166 | 58.2 | 0 | 0 | 114.1 | ||||
| 695 | S | 25.7 | Very low | 29.8 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 95.4 | -169.6 | 160.2 | 87.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 696 | R | 23.7 | Very low | 30 | Very low | 239 Ų | 239 | 140.3 Ų | 140.3 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -135.9 | 161.8 | -144.8 | -67.3 | 172.6 | 162 | 169.8 | -7.3 | 115.1 | ||||
| 697 | S | 24.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | 97.8 | 100.8 | 135.9 | -170.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 698 | N | 26 | Very low | 29.6 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | 72.7 | 115.4 | 127.5 | -63.5 | -11.7 | 0 | 0 | 0 | 124.9 | |||||
| 699 | R | 33.3 | Very low | 29.7 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 68.9 | 173.4 | 130.5 | -99.7 | -167.6 | 175.7 | -158.6 | 1.2 | 119 | H701 | R699-H701 PolarHBondContact NH1-NE2 3.14Å; R699-H701 PolarHBondContact NH2-NE2 3.18Å | ||
| 700 | P | 47.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -138.8 | 171.5 | -0.3 | 36.5 | -16.3 | 0 | 0 | 0 | 119.3 | ||||
| 701 | H | 31.5 | Very low | 29.5 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | trans | 53.4 | 156.9 | 137.4 | -66.4 | -36.4 | 0 | 0 | 0 | 124.1 | R699 | R699-H701 PolarHBondContact NH1-NE2 3.14Å; R699-H701 PolarHBondContact NH2-NE2 3.18Å | ||
| 702 | S | 34.7 | Very low | 29.4 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 75% | 0.747 | S | S | * | * | cis | -176.8 | 169.3 | -22 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 703 | T | 25.6 | Very low | 29.2 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | -156.2 | 174.3 | 153.5 | 0.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 704 | L | 32.9 | Very low | 29.2 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -65.5 | 170.2 | -170 | -102 | 54.8 | 0 | 0 | 0 | 115.5 | ||||
| 705 | E | 27 | Very low | 29 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | -151.6 | 150.6 | 26.4 | -151.6 | 175.4 | -165.4 | 0 | 0 | 117.2 | ||||
| 706 | S | 30.3 | Very low | 29.3 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | trans | 21.1 | 124.6 | 153.9 | -166.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 707 | S | 29.4 | Very low | 29.6 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | -177.3 | 105.9 | 103.9 | 39.6 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 708 | K | 29.3 | Very low | 29.6 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 46.3 | 108.8 | 140.6 | -78.4 | 177 | 178.8 | 170.2 | 0 | 124.8 | ||||
| 709 | T | 28.5 | Very low | 29.7 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | 61.5 | 145.2 | 124.2 | 55.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 710 | K | 26.3 | Very low | 29.4 | Very low | 188 Ų | 188 | 144.8 Ų | 144.8 | 82% | 0.817 | 76% | 0.756 | S | S | * | * | cis | -151.8 | 144.7 | 4.4 | -104.6 | 156.4 | -178.7 | -179.2 | 0 | 107.7 | ||||
| 711 | R | 23.8 | Very low | 28.5 | Very low | 238 Ų | 238 | 149.3 Ų | 149.3 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | 43.9 | 134.8 | 97.5 | -108.7 | -163.1 | 165.1 | 136.7 | -3 | 115.8 | |||||
| 712 | A | 25.2 | Very low | 28.2 | Very low | 67 Ų | 67 | 152.2 Ų | 152.2 | 55% | 0.554 | 78% | 0.783 | S | S | * | * | cis | -163.2 | 167.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 713 | D | 26.3 | Very low | 27.6 | Very low | 144 Ų | 144 | 156.7 Ų | 156.7 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 142.7 | 145.2 | -54.6 | -28.5 | 0 | 0 | 0 | 124 | ||||
| 714 | I | 28.8 | Very low | 27.5 | Very low | 156 Ų | 156 | 159.1 Ų | 159.1 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 115.5 | 161.8 | -59.9 | 151.8 | 0 | 0 | 0 | 118.8 | ||||
| 715 | C | 28.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 158.3 Ų | 158.3 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -94 | 149.1 | 153.6 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 716 | P | 32 | Very low | 26.9 | Very low | 104 Ų | 104 | 155.5 Ų | 155.5 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | -143.8 | 137.5 | 117.9 | 35.1 | -20.4 | 0 | 0 | 0 | 115.6 | |||||
| 717 | W | 29.7 | Very low | 26.7 | Very low | 226 Ų | 226 | 158.8 Ų | 158.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 36.3 | 146.4 | 135.9 | -59.4 | 90.5 | 0 | 0 | 0 | 124.1 | ||||
| 718 | D | 24.6 | Very low | 26.5 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 71.8 | 114.4 | 149.4 | -55.5 | -23.9 | 0 | 0 | 0 | 122.3 | ||||
| 719 | F | 28.1 | Very low | 26.3 | Very low | 192 Ų | 192 | 155.4 Ų | 155.4 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -105.8 | 144.2 | 144.9 | -90.7 | -105.4 | 0 | 0 | 0 | 106.2 | ||||
| 720 | E | 27.2 | Very low | 26.1 | Very low | 172 Ų | 172 | 161 Ų | 161 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | cis | -164 | 127.8 | -0.1 | -178 | 170 | -155.8 | 0 | 0 | 108.8 | ||||
| 721 | E | 28.6 | Very low | 26 | Very low | 194 Ų | 194 | 157.3 Ų | 157.3 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -149.8 | 121.6 | 165.9 | -178.4 | 176.1 | -127.6 | 0 | 0 | 109.1 | ||||
| 722 | Q | 24.6 | Very low | 26.4 | Very low | 195 Ų | 195 | 151.5 Ų | 151.5 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -152.6 | 141.6 | 160.2 | -138.6 | 169.3 | 21.5 | 0 | 0 | 114.3 | ||||
| 723 | Q | 22.7 | Very low | 26.4 | Very low | 179 Ų | 179 | 155.6 Ų | 155.6 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -104.7 | 151.5 | 176.8 | -168.4 | -170 | 17.3 | 0 | 0 | 109.8 | ||||
| 724 | K | 23.5 | Very low | 26.4 | Very low | 182 Ų | 182 | 153.4 Ų | 153.4 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 79.8 | 127 | 158.8 | -158.1 | 178.3 | -175 | 179.7 | 0 | 117 | ||||
| 725 | V | 26.8 | Very low | 26.4 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -124 | 151.2 | 169.3 | 173 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 726 | T | 21.3 | Very low | 26.4 | Very low | 111 Ų | 111 | 156 Ų | 156 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | -116.8 | 155.4 | 169.7 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 727 | E | 24.5 | Very low | 26.3 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -31.3 | 159.6 | 179.1 | -65.7 | -179.9 | 90.4 | 0 | 0 | 118.6 | ||||
| 728 | L | 26.1 | Very low | 26.2 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | cis | -157.1 | 165.8 | 28.9 | -144.7 | 139 | 0 | 0 | 0 | 113.8 | ||||
| 729 | A | 24.2 | Very low | 26.3 | Very low | 81 Ų | 81 | 159 Ų | 159 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | trans | 95 | 96.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 730 | R | 26.1 | Very low | 26.2 | Very low | 238 Ų | 238 | 154.4 Ų | 154.4 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | -177.3 | 124.4 | 108.9 | 178.3 | 169.7 | -85 | 114.2 | -8.1 | 113 | |||||
| 731 | S | 22.3 | Very low | 26.3 | Very low | 111 Ų | 111 | 151.5 Ų | 151.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 12.4 | 127.9 | 163.7 | -140.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 732 | P | 33 | Very low | 26.4 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -107.3 | 171.8 | 165.2 | 40.9 | -33 | 0 | 0 | 0 | 114 | ||||
| 733 | D | 24.5 | Very low | 27.3 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -160.4 | 150.9 | 163.2 | -114 | -32.8 | 0 | 0 | 0 | 107.9 | ||||
| 734 | T | 27.5 | Very low | 27.7 | Very low | 99 Ų | 99 | 141 Ų | 141 | 61% | 0.607 | 76% | 0.761 | S | S | * | * | cis | -147.7 | 160.6 | 9.9 | 20.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 735 | M | 27.6 | Very low | 27.9 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 67.5 | 143 | 158.8 | -71.1 | -177.8 | -129.9 | 0 | 0 | 118.7 | ||||
| 736 | K | 29.9 | Very low | 28.1 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | cis | -146.9 | 138.3 | 10.4 | -119.1 | 157.5 | -170.7 | 174.3 | 0 | 112.1 | ||||
| 737 | Q | 30.1 | Very low | 28.5 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 14.7 | 151.8 | 141.8 | -64.7 | -167.3 | 14.7 | 0 | 0 | 121.9 | ||||
| 738 | K | 27.6 | Very low | 28.6 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | cis | -153.1 | 154.3 | 10.9 | -139.4 | 171.3 | -175.7 | 172.2 | 0 | 113.4 | ||||
| 739 | K | 26.3 | Very low | 28.9 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | trans | -102.5 | 149.1 | 169.5 | 170.9 | 175.2 | 176.3 | 179.5 | 0 | 110.4 | ||||
| 740 | S | 26.6 | Very low | 29.1 | Very low | 96 Ų | 96 | 146.4 Ų | 146.4 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -87.1 | 146.7 | 169.9 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 741 | S | 29.5 | Very low | 30 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 49.4 | 123.9 | 161.8 | 45.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 742 | S | 30 | Very low | 30.5 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -86.3 | -169.1 | 163.1 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 743 | P | 43.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | -144.7 | -171.6 | 5.8 | 46.6 | -28 | 0 | 0 | 0 | 117.5 | ||||
| 744 | V | 30.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | 76.4 | 138.2 | 159 | 178.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 745 | D | 27.9 | Very low | 30.5 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | -39.6 | 174.3 | 179.5 | -59.4 | -90 | 0 | 0 | 0 | 120.4 | ||||
| 746 | G | 30.3 | Very low | 31.8 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -170.2 | -46.1 | 165 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 747 | R | 29.5 | Very low | 31.7 | Very low | 253 Ų | 253 | 139.6 Ų | 139.6 | 96% | 0.955 | 77% | 0.774 | S | S | * | * | trans | 48.7 | 109.2 | 175.7 | -179.7 | -154.8 | -67.9 | -95 | -2.3 | 117.3 | ||||
| 748 | G | 27.9 | Very low | 31.5 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | 163.9 | 116.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 749 | R | 32 | Very low | 31.7 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 53.7 | 116.3 | 146.4 | -58.9 | -175 | -178.2 | -149.2 | 0.1 | 120.4 | ||||
| 750 | N | 28.1 | Very low | 31.8 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 30.3 | 154.5 | 103.1 | -64.5 | 49.5 | 0 | 0 | 0 | 119.9 | |||||
| 751 | P | 45 | Very low | 31.8 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | cis | -145 | -171.2 | -24.8 | 40.3 | -21.6 | 0 | 0 | 0 | 114.4 | ||||
| 752 | I | 32.3 | Very low | 31.9 | Very low | 156 Ų | 156 | 134 Ų | 134 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 144.1 | 149.1 | -76.5 | 165 | 0 | 0 | 0 | 116.9 | ||||
| 753 | S | 26.6 | Very low | 32.8 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | cis | -166.1 | 177.1 | -19.6 | -91.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 754 | D | 27.1 | Very low | 31.9 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 69.1 | 109.3 | 145.4 | -64.8 | -34.8 | 0 | 0 | 0 | 122.3 | ||||
| 755 | A | 31.5 | Very low | 31.5 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | 84.6 | 155.1 | 118.5 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 756 | P | 55 | Low | 31.3 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -125.5 | 170.5 | -150.5 | 42.2 | -28.7 | 0 | 0 | 0 | 115.5 | ||||
| 757 | K | 27.6 | Very low | 31.2 | Very low | 218 Ų | 218 | 135.5 Ų | 135.5 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | trans | -176.4 | 166.6 | 150.7 | -99.9 | 143.9 | -170.8 | 173.4 | 0 | 110.2 | ||||
| 758 | G | 26.4 | Very low | 31 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 123.4 | 78.3 | 159 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 759 | V | 31.4 | Very low | 31 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -83.6 | 120.5 | 163.8 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 760 | T | 27.8 | Very low | 30.8 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 165.1 | 155 | -16.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 761 | S | 28.2 | Very low | 30.9 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -73.2 | 152.8 | -167.3 | 54 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 762 | L | 31 | Very low | 30.6 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | -11.1 | 159.6 | 128.1 | -69 | 168.2 | 0 | 0 | 0 | 117.2 | |||||
| 763 | P | 49.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -140.8 | 180 | 15.3 | 44.1 | -27 | 0 | 0 | 0 | 117.3 | ||||
| 764 | L | 24.1 | Very low | 31.4 | Very low | 159 Ų | 159 | 134.4 Ų | 134.4 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 68.7 | 122.7 | 142.9 | -153.9 | 75.5 | 0 | 0 | 0 | 120.7 | ||||
| 765 | S | 23 | Very low | 31.5 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | 154.1 | 159.7 | 106.2 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 766 | T | 23.6 | Very low | 31.7 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | 59.6 | 163.4 | 159 | 69.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 767 | T | 28.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -157.3 | 146 | -38.2 | 28.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 768 | K | 25.4 | Very low | 30.8 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | trans | 44.4 | 111.9 | 133.4 | -167.6 | 179.4 | 176.8 | -174.8 | 0 | 121.7 | ||||
| 769 | A | 27.5 | Very low | 31.2 | Very low | 80 Ų | 80 | 133.7 Ų | 133.7 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | trans | 66.1 | 170.8 | 138 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 770 | E | 28 | Very low | 31.3 | Very low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -155.9 | -178.2 | 6.5 | -150.4 | 155.8 | -105.5 | 0 | 0 | 112.6 | ||||
| 771 | I | 31 | Very low | 31.4 | Very low | 148 Ų | 148 | 131 Ų | 131 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | 79 | 113.4 | 161.3 | -62 | 155.1 | 0 | 0 | 0 | 118.1 | ||||
| 772 | C | 36.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -117.7 | 157.8 | 153.7 | -72 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 773 | P | 38.2 | Very low | 32.4 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | -109.6 | 120.6 | -179.9 | 24.4 | -6.1 | 0 | 0 | 0 | 114.5 | ||||
| 774 | W | 38.6 | Very low | 31.5 | Very low | 231 Ų | 231 | 128.6 Ų | 128.6 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | trans | 46 | 148 | 138.1 | -49.6 | 97.4 | 0 | 0 | 0 | 122.1 | ||||
| 775 | D | 29.3 | Very low | 31.9 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | cis | -173.3 | -165.9 | -30.7 | -137.5 | -53.3 | 0 | 0 | 0 | 110.2 | ||||
| 776 | Y | 36.2 | Very low | 32.2 | Very low | 203 Ų | 203 | 128.1 Ų | 128.1 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 86.9 | 128.4 | 168.7 | -80 | -103.5 | 0 | 0 | 0 | 118 | ||||
| 777 | D | 32.3 | Very low | 32.4 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | cis | -165.4 | 157.5 | -20.1 | -150.7 | -27 | 0 | 0 | 0 | 111.9 | ||||
| 778 | S | 31.5 | Very low | 32.4 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | trans | 57.9 | 143.6 | 145.7 | -77 | 0 | 0 | 0 | 0 | 121 | ||||
| 779 | A | 33 | Very low | 33.2 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | -172.6 | 159.4 | -6.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 780 | A | 33.7 | Very low | 33.1 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -145.2 | -153.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 781 | V | 30.6 | Very low | 34.1 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -143.7 | -156.3 | 12.9 | -158.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 782 | S | 32.2 | Very low | 33.9 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -158.8 | -165 | -174.4 | -51.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 783 | P | 47.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 130.4 Ų | 130.4 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | cis | -145 | 156.7 | -3.7 | 38.9 | -18.3 | 0 | 0 | 0 | 119.6 | ||||
| 784 | S | 31 | Very low | 33 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 69.7 | 166 | 136.5 | 75 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 785 | T | 31.8 | Very low | 33.2 | Very low | 117 Ų | 117 | 124 Ų | 124 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | cis | -146.1 | 151.1 | 7.8 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 786 | D | 30.1 | Very low | 33 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | 36.8 | 141 | 140.5 | -74.3 | 14.8 | 0 | 0 | 0 | 122.8 | ||||
| 787 | R | 27.7 | Very low | 32.5 | Very low | 224 Ų | 224 | 123.7 Ų | 123.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | cis | -176.7 | 167 | 41.2 | -126.7 | 160.4 | -147.4 | -167.8 | -1.2 | 113.4 | ||||
| 788 | T | 27.1 | Very low | 32.2 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -106 | -176 | 176.6 | 11 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 789 | P | 43.1 | Very low | 31.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -140.4 | -171.5 | 18.8 | 43.4 | -22.1 | 0 | 0 | 0 | 118.4 | ||||
| 790 | S | 24.4 | Very low | 31.8 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -89.5 | -165.4 | 175.6 | -30 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 791 | P | 50.2 | Low | 32.1 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | cis | -125.3 | -135.1 | 1.4 | 26.5 | 2.1 | 0 | 0 | 0 | 112 | ||||
| 792 | A | 27.3 | Very low | 32.1 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | cis | -167.5 | 169.2 | 6.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 793 | Q | 28.5 | Very low | 32.1 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | 73.5 | 158.1 | 153.9 | -65.6 | -171.4 | 16.7 | 0 | 0 | 122.9 | ||||
| 794 | A | 27.5 | Very low | 31.6 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -127.5 | -168.4 | 177 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 795 | P | 42.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -146.5 | -178.3 | 20.1 | 44.5 | -23.2 | 0 | 0 | 0 | 118.6 | ||||
| 796 | K | 26 | Very low | 31.1 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | trans | 18.9 | 127.2 | 151.2 | -63.6 | 177.4 | -180 | 176.8 | 0 | 121.5 | ||||
| 797 | A | 25.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -152.6 | 176.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 798 | K | 26.2 | Very low | 31.9 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -118.8 | 169.3 | -175 | -102.3 | -172.6 | 177.5 | -174.4 | 0 | 112.4 | ||||
| 799 | E | 23.4 | Very low | 32 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 81.2 | 128.5 | 152.7 | -80.6 | 166.7 | 152.2 | 0 | 0 | 122 | ||||
| 800 | S | 31 | Very low | 31.4 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -72.4 | 168.3 | 154.1 | 57.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 801 | P | 41.8 | Very low | 31.6 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -159.9 | 173.8 | 39.3 | 43.6 | -20.1 | 0 | 0 | 0 | 120.8 | ||||
| 802 | T | 29.1 | Very low | 30.5 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | trans | 49.8 | 132.2 | 140.3 | 56.1 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 803 | I | 33.6 | Very low | 30.4 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | 76.3 | 131.4 | 130.6 | -67.9 | 169.8 | 0 | 0 | 0 | 117.2 | ||||
| 804 | R | 36.1 | Very low | 30.2 | Very low | 226 Ų | 226 | 137.8 Ų | 137.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | -178.2 | 173.4 | 61.1 | -149.4 | 154.1 | -146.6 | -154.1 | 4.3 | 115.7 | |||||
| 805 | K | 28.2 | Very low | 30.1 | Very low | 204 Ų | 204 | 141.1 Ų | 141.1 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | 85.4 | 145.9 | 163.3 | -60.3 | 175.2 | -178 | 176.8 | 0 | 116 | ||||
| 806 | G | 24.4 | Very low | 29.2 | Very low | 78 Ų | 78 | 141.7 Ų | 141.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -150.4 | -178.9 | 3.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 807 | A | 30.2 | Very low | 29 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -123.2 | -153.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 808 | P | 44 | Very low | 28.9 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | cis | -86 | -157.5 | 10.4 | 39.8 | -39.7 | 0 | 0 | 0 | 113 | ||||
| 809 | S | 30.3 | Very low | 28.7 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -151.4 | -119.9 | 19.7 | -146.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 810 | T | 29.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -159.8 | 165.4 | -134.8 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 811 | R | 27.6 | Very low | 28.4 | Very low | 221 Ų | 221 | 135.7 Ų | 135.7 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | cis | -167.7 | 160.6 | 0.5 | -116.4 | -174.7 | -177.7 | -177.4 | 0.7 | 105.5 | ||||
| 812 | T | 27.6 | Very low | 27.5 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | cis | -175.2 | 159.5 | -20.9 | 17.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 813 | V | 26.4 | Very low | 27.3 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | 70.3 | 136.3 | 159.9 | 165.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 814 | E | 24 | Very low | 27 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -162.8 | 160.8 | -10.2 | -128.5 | -172.3 | -136.3 | 0 | 0 | 112.7 | ||||
| 815 | K | 24.5 | Very low | 26.5 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 69% | 0.687 | 73% | 0.726 | S | S | * | * | trans | 68.2 | 137.3 | 131.6 | -167.2 | 169.3 | 170.8 | -177.9 | 0 | 125 | ||||
| 816 | E | 23 | Very low | 26.3 | Very low | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 72% | 0.72 | S | S | * | * | trans | 55.7 | 118.6 | 154.7 | -83.8 | -172.4 | 96.9 | 0 | 0 | 124.8 | ||||
| 817 | K | 22.3 | Very low | 26.4 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | 76.6 | 154.5 | 111.9 | -165.4 | 172.1 | 171.2 | 176.9 | 0 | 121.8 | |||||
| 818 | S | 22.6 | Very low | 26.2 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | 67.5 | 167 | 167.2 | 13.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 819 | K | 23.2 | Very low | 25.2 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | cis | -179.6 | 141 | -32.2 | 164.2 | 176.9 | 166.7 | 179 | 0 | 107 | ||||
| 820 | D | 22.9 | Very low | 24.7 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | trans | 62.4 | 132.2 | 168.6 | -67.5 | 8.4 | 0 | 0 | 0 | 115 | ||||
| 821 | T | 25.1 | Very low | 24.4 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | 94 | 116.3 | 63.5 | -55.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 822 | E | 23 | Very low | 24.2 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | trans | 65.3 | 150.3 | 158.4 | -74.5 | 164.9 | -172.9 | 0 | 0 | 117.4 | ||||
| 823 | D | 25.3 | Very low | 24.2 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | cis | -157.6 | 177.8 | -14.6 | -146 | -25.3 | 0 | 0 | 0 | 110.9 | ||||
| 824 | E | 25.9 | Very low | 23.9 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 61% | 0.607 | 73% | 0.728 | S | S | * | * | trans | 68.3 | 142 | 149.2 | -86.3 | -121.4 | 92.2 | 0 | 0 | 122.7 | ||||
| 825 | K | 25.7 | Very low | 24.1 | Very low | 163 Ų | 163 | 145 Ų | 145 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | trans | 66 | 139.3 | 153.6 | -82.6 | 169.9 | 178.1 | 72.4 | 0 | 118.2 | ||||
| 826 | S | 23.9 | Very low | 24 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | cis | -154.3 | 174.9 | 11.5 | 54.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 827 | L | 27.1 | Very low | 24 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | 0.3 | 121.6 | 160.9 | -99 | 65.9 | 0 | 0 | 0 | 117.3 | ||||
| 828 | T | 25.4 | Very low | 24.2 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | -177.7 | 165 | 97.2 | 29.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 829 | K | 23.1 | Very low | 24.4 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 36.4 | 104.9 | 147.9 | -81.1 | -176.8 | 173.8 | 177.5 | 0 | 119.6 | ||||
| 830 | S | 21.6 | Very low | 24.5 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | 57.5 | 143.3 | 115.9 | 68.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 831 | S | 23.3 | Very low | 24.6 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | 76.7 | 96.4 | 157.7 | -52.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 832 | D | 23 | Very low | 24.6 | Very low | 129 Ų | 129 | 151 Ų | 151 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | S | Bend | -117.2 | 134 | 121.5 | -151.8 | -3.9 | 0 | 0 | 0 | 110.9 | |||
| 833 | K | 27.5 | Very low | 24.8 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 29.5 | 85.3 | 172.1 | -69.1 | 157 | -161.3 | 82.7 | 0 | 117.9 | ||||
| 834 | R | 20.7 | Very low | 24.8 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -68.5 | 159 | 141.6 | -101.2 | -166.8 | 179.9 | -158.4 | 1.9 | 110.3 | ||||
| 835 | L | 26.5 | Very low | 26 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -52.5 | 136.3 | 165.4 | -63.1 | 67.1 | 0 | 0 | 0 | 111.3 | ||||
| 836 | S | 22.3 | Very low | 26.5 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | -176 | 145 | 106.6 | 62 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 837 | Q | 23.7 | Very low | 26.9 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | 179.3 | 106.8 | 118.2 | -97.6 | 178.9 | -12.5 | 0 | 0 | 112 | |||||
| 838 | Q | 26.7 | Very low | 27.2 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | -68 | 154.5 | 128.6 | -81.8 | 177.6 | -22.3 | 0 | 0 | 107.4 | |||||
| 839 | K | 26.6 | Very low | 27.2 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | cis | -177.6 | 158.8 | 2.4 | 152.1 | -172.9 | 179.6 | -160.7 | 0 | 107.6 | ||||
| 840 | L | 25.9 | Very low | 27.4 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 66.7 | 163.2 | 168.8 | -81.5 | 167.7 | 0 | 0 | 0 | 115.6 | ||||
| 841 | S | 23.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | -164 | 159.7 | -0.9 | 37.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 842 | E | 26.1 | Very low | 28.8 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -157 | 153.9 | 138.9 | -131.2 | -175.5 | 152.4 | 0 | 0 | 115.1 | ||||
| 843 | V | 26.3 | Very low | 29.1 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | trans | 58.6 | 106.9 | 167 | -164.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 844 | C | 26.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | -117.8 | 178.6 | 139.2 | -61.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 845 | P | 51.4 | Low | 29.6 | Very low | 91 Ų | 91 | 138 Ų | 138 | 59% | 0.591 | 75% | 0.753 | S | S | * | * | -138.3 | -175.2 | 79.4 | 30 | -8 | 0 | 0 | 0 | 111.2 | |||||
| 846 | W | 34.6 | Very low | 29.5 | Very low | 219 Ų | 219 | 138.4 Ų | 138.4 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | cis | -140.1 | -172.1 | 12.2 | -45 | 78.6 | 0 | 0 | 0 | 109.1 | ||||
| 847 | D | 32.7 | Very low | 29.5 | Very low | 125 Ų | 125 | 141 Ų | 141 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | -161 | 176.7 | -1.7 | -136.6 | -24.1 | 0 | 0 | 0 | 112.8 | ||||
| 848 | V | 33.6 | Very low | 29.6 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | 56.6 | 113.8 | 149.7 | 174.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 849 | E | 26.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | 49.7 | 100.2 | 147.1 | -85.3 | 39.5 | -112 | 0 | 0 | 124.9 | ||||
| 850 | S | 26.8 | Very low | 29.5 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | 48 | 150.8 | 95.7 | -54.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 851 | P | 45.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | cis | -133.2 | -148.4 | -13.2 | 35.1 | -10.1 | 0 | 0 | 0 | 111.5 | ||||
| 852 | Q | 29.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | -151.3 | -102.1 | -0.1 | -157.1 | 177.4 | -21.7 | 0 | 0 | 115.5 | ||||
| 853 | E | 28.7 | Very low | 29.7 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -136.3 | 169.4 | -161.9 | -75.8 | 147.8 | -137 | 0 | 0 | 112 | ||||
| 854 | G | 21 | Very low | 29.8 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | 148.2 | 174.4 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 855 | P | 37.2 | Very low | 29.9 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | cis | -139.7 | -176.6 | -14.9 | 43.3 | -25.1 | 0 | 0 | 0 | 116.4 | ||||
| 856 | Q | 24.2 | Very low | 28.7 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | 81 | 179.6 | 147.5 | -118.7 | -167.9 | -34.2 | 0 | 0 | 124.6 | ||||
| 857 | E | 22.8 | Very low | 28.4 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -112.8 | 164.9 | -150.9 | -51.8 | 151.1 | 92.9 | 0 | 0 | 114.3 | ||||
| 858 | E | 26.2 | Very low | 28.1 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | -173.4 | -134.5 | 103 | -143.6 | -133.3 | 134.4 | 0 | 0 | 112.5 | |||||
| 859 | K | 26.1 | Very low | 27.9 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -147.5 | 167.5 | -145.6 | -152.2 | 177.9 | -162.4 | 153.7 | 0 | 112.3 | ||||
| 860 | R | 25.1 | Very low | 28.7 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | 74.5 | 150.5 | 153 | -93 | 168.6 | 170.3 | 163.5 | -4.6 | 120.5 | ||||
| 861 | K | 24.5 | Very low | 29.1 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 75.3 | 97.2 | 141.8 | -80.4 | -178.7 | 173.3 | -172.3 | 0 | 121.6 | ||||
| 862 | S | 26.7 | Very low | 28.4 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 53.6 | 141.9 | 108.2 | 68.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 863 | A | 27.9 | Very low | 28.5 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | 93.5 | 93.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 864 | N | 28.4 | Very low | 28.7 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | 54.2 | 146.3 | 108.5 | -154.5 | 19.7 | 0 | 0 | 0 | 121.1 | |||||
| 865 | V | 29.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 76.5 | 136.7 | 171.2 | -169.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 866 | G | 25.7 | Very low | 28.6 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 136.2 | 98.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 867 | A | 27.2 | Very low | 29.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | trans | -63 | 170.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 868 | A | 26.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | 127.7 | 151.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 869 | K | 31.1 | Very low | 30.5 | Very low | 201 Ų | 201 | 136 Ų | 136 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -87.3 | 166.1 | 177.9 | -89.8 | 178.8 | 179.8 | -179.6 | 0 | 109.9 | ||||
| 870 | P | 43 | Very low | 30.9 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -154.2 | -161.3 | 52.6 | 44.4 | -21.2 | 0 | 0 | 0 | 118.6 | |||||
| 871 | K | 33.5 | Very low | 31 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -65.4 | -171.9 | 177.6 | -37.2 | 175.9 | -176.6 | 177.1 | 0 | 113.4 | ||||
| 872 | Q | 32.2 | Very low | 31 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | cis | -152.4 | -175.9 | 4.9 | -143.1 | 171.8 | -86.2 | 0 | 0 | 106.1 | E874 | Q872-E874 PolarHBondContact NE2-OE1 3Š| ||
| 873 | A | 30.8 | Very low | 31 | Very low | 64 Ų | 64 | 135 Ų | 135 | 53% | 0.529 | 77% | 0.765 | S | S | . | * | cis | -162.4 | 170.3 | 8.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 874 | E | 32.7 | Very low | 31 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | trans | 50.7 | 150.3 | 142.9 | -73.1 | 140.2 | -124 | 0 | 0 | 120.5 | Q872 | Q872-E874 PolarHBondContact NE2-OE1 3Š| ||
| 875 | V | 29.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | cis | -130.2 | 157.8 | 27.2 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 876 | C | 26.6 | Very low | 31 | Very low | 106 Ų | 106 | 137 Ų | 137 | 72% | 0.716 | 77% | 0.765 | S | S | * | * | trans | -133.6 | 169.5 | 171.3 | -143.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 877 | P | 49.7 | Very low | 31.2 | Very low | 93 Ų | 93 | 140.2 Ų | 140.2 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | -163.9 | 168.9 | 82.3 | 44 | -23.4 | 0 | 0 | 0 | 119.9 | |||||
| 878 | W | 33.2 | Very low | 31.1 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | 65 | 126.2 | 161.8 | -41.8 | 120.5 | 0 | 0 | 0 | 117.4 | ||||
| 879 | D | 31.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | cis | 74.7 | 152.5 | 22.6 | -49.7 | -51.5 | 0 | 0 | 0 | 115.7 | ||||
| 880 | F | 34.3 | Very low | 31 | Very low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | cis | -151.5 | 170.8 | 17.6 | -129.1 | -67.1 | 0 | 0 | 0 | 113.1 | ||||
| 881 | E | 26.8 | Very low | 30.5 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 119.3 | 113.6 | 130.5 | -119.8 | 168.9 | -142.3 | 0 | 0 | 120.6 | V883 | E881-V883 HydrophobicContact CG-CG2 4.42Š| ||
| 882 | D | 24.4 | Very low | 30.2 | Very low | 167 Ų | 167 | 137 Ų | 137 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -154.9 | 138.8 | 165.7 | -165.7 | 1 | 0 | 0 | 0 | 107.3 | ||||
| 883 | V | 27.1 | Very low | 30 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | trans | -119.9 | 109.4 | -156 | 179.5 | 0 | 0 | 0 | 0 | 115.6 | E881 | E881-V883 HydrophobicContact CG-CG2 4.42Š| ||
| 884 | S | 28.1 | Very low | 30.5 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | 36.6 | 99.2 | 156.1 | 71.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 885 | S | 30.3 | Very low | 30.3 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | 25 | 145.1 | 116 | 58.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 886 | K | 26.8 | Very low | 30.2 | Very low | 216 Ų | 216 | 135 Ų | 135 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | trans | -116 | 136.8 | 165.3 | -125.3 | 176.4 | -174.1 | 174.5 | 0 | 111.2 | ||||
| 887 | T | 29.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -104.2 | 147.7 | -174.6 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 888 | G | 26.6 | Very low | 29.2 | Very low | 69 Ų | 69 | 140.3 Ų | 140.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -147.2 | 157.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 889 | S | 28.2 | Very low | 28.9 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | cis | -158.9 | 147.7 | 1.7 | 169.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 890 | D | 26.6 | Very low | 28.8 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -159.6 | 152.4 | 162 | -152.4 | 5.5 | 0 | 0 | 0 | 114.3 | ||||
| 891 | K | 31.9 | Very low | 29.3 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 104.8 | 165.3 | -64.3 | 157.2 | -168.9 | 163.9 | 0 | 121.4 | ||||
| 892 | N | 28.9 | Very low | 29.3 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | 57.7 | 137.4 | 119.9 | -60.9 | -5.4 | 0 | 0 | 0 | 123.1 | |||||
| 893 | A | 27.4 | Very low | 29.6 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -73.7 | -178.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 894 | P | 41.7 | Very low | 29.6 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | cis | -151 | -163.3 | 34.9 | 43.3 | -20 | 0 | 0 | 0 | 118 | ||||
| 895 | V | 28 | Very low | 29.5 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | 93 | 101.7 | 152.5 | 165 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 896 | E | 26.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | trans | 76.2 | 134.4 | 130.8 | -69.5 | -155.3 | 131.2 | 0 | 0 | 126.3 | ||||
| 897 | K | 27.6 | Very low | 29.5 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 61% | 0.609 | 75% | 0.75 | S | S | * | * | trans | 80.8 | 98.7 | 134.1 | -77.2 | 170.6 | -178.3 | 144.4 | 0 | 122.4 | ||||
| 898 | Q | 27.8 | Very low | 29.5 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | 79.3 | 163.3 | 114.9 | -76.8 | 178.3 | -36.7 | 0 | 0 | 121 | |||||
| 899 | S | 27.9 | Very low | 29.7 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 65.8 | 82.6 | 164.9 | 36.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 900 | N | 28 | Very low | 30 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | -33.6 | 151.9 | 116.6 | -125.7 | -1.9 | 0 | 0 | 0 | 111.2 | |||||
| 901 | P | 44.5 | Very low | 30.5 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | cis | -153.1 | 162.6 | 37.6 | 44.4 | -24.6 | 0 | 0 | 0 | 119 | ||||
| 902 | N | 27.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | 59.3 | 160.7 | 133 | -153.5 | 5.2 | 0 | 0 | 0 | 121.8 | ||||
| 903 | L | 29.8 | Very low | 30.9 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | 66.4 | 149.3 | 165 | -59.1 | 172.9 | 0 | 0 | 0 | 117.1 | ||||
| 904 | K | 27.8 | Very low | 31.3 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 81% | 0.809 | 75% | 0.747 | S | S | * | * | cis | -172.1 | -175.4 | -31.8 | -135 | -171.7 | -162.5 | 174.7 | 0 | 105.8 | ||||
| 905 | A | 27.1 | Very low | 30.8 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | 70.6 | 128.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 906 | V | 28.1 | Very low | 31 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 87% | 0.873 | 75% | 0.754 | S | S | * | * | 74.9 | 125.3 | 53.5 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 907 | A | 28.8 | Very low | 31.2 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -169.4 | -166.9 | -12.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 908 | A | 29.2 | Very low | 32.1 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | 75.1 | 146.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 909 | S | 30.3 | Very low | 32.4 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -171.6 | 151.7 | -12.1 | 45 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 910 | S | 33.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 66.8 | 164.3 | 154.7 | 80.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 911 | A | 37.7 | Very low | 32.7 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -161.4 | 164.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 912 | K | 36.7 | Very low | 32 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | cis | -170.1 | 130.9 | -13.2 | -116.3 | 176.6 | 179.2 | -179.2 | 0 | 108.3 | ||||
| 913 | K | 33.3 | Very low | 32.4 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | 153.2 | 125.8 | 145 | -84.2 | 170.1 | -173.7 | -170.7 | 0 | 108.8 | ||||
| 914 | A | 34.9 | Very low | 32.4 | Very low | 91 Ų | 91 | 135.3 Ų | 135.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | 71.9 | 128.2 | 45.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 915 | E | 30.9 | Very low | 32.7 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | cis | -147 | 173.4 | 19.8 | -66.7 | 177.7 | 127.9 | 0 | 0 | 111.2 | ||||
| 916 | V | 31.6 | Very low | 33.2 | Very low | 128 Ų | 128 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -162.1 | 150 | -30.6 | 142.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 917 | C | 32.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 176.5 | 178.2 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 918 | P | 45.2 | Very low | 34.3 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | -144.8 | 144.4 | 112 | 32.2 | -15.4 | 0 | 0 | 0 | 117 | |||||
| 919 | W | 34 | Very low | 34.9 | Very low | 222 Ų | 222 | 146.2 Ų | 146.2 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | 28.7 | 153.8 | 125.1 | -41.2 | 117 | 0 | 0 | 0 | 120.9 | |||||
| 920 | D | 29.3 | Very low | 35.2 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 59% | 0.588 | 82% | 0.82 | S | S | * | * | cis | -172 | 162.5 | -7.5 | -114.3 | -19.6 | 0 | 0 | 0 | 112.2 | ||||
| 921 | F | 32.6 | Very low | 35.3 | Very low | 180 Ų | 180 | 151.7 Ų | 151.7 | 79% | 0.789 | 82% | 0.821 | S | S | * | * | trans | 63 | 169.8 | 150.8 | -80.1 | -127.5 | 0 | 0 | 0 | 117.5 | ||||
| 922 | D | 31.2 | Very low | 35.2 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | cis | -143.9 | 151.7 | 13.1 | -154.5 | -18 | 0 | 0 | 0 | 112.7 | ||||
| 923 | E | 34.4 | Very low | 35.1 | Very low | 175 Ų | 175 | 153.2 Ų | 153.2 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -123.2 | 94.2 | 176.2 | -169.6 | -177.9 | -157.7 | 0 | 0 | 111.1 | K925 | E923-K925 PolarHBondContact O-N 3.38Š| ||
| 924 | S | 30.3 | Very low | 35.2 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -80.7 | 83.8 | -167.9 | 48.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 925 | K | 35.5 | Very low | 35.2 | Very low | 198 Ų | 198 | 154.1 Ų | 154.1 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -135.3 | 107 | 159.8 | -82.1 | -178.1 | -177.5 | 162.4 | 0 | 112.7 | E923 | E923-K925 PolarHBondContact O-N 3.38Š| ||
| 926 | S | 36.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 152 Ų | 152 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -148.2 | 145 | 161.8 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 927 | S | 35.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 153.7 Ų | 153.7 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | trans | -151.2 | 107.6 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 928 | K | 46.1 | Very low | 36 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 67.2 | 132.3 | 153.7 | -70.7 | 178.6 | 174.5 | 174.3 | 0 | 120.2 | ||||
| 929 | K | 41.7 | Very low | 35.2 | Very low | 207 Ų | 207 | 161 Ų | 161 | 90% | 0.9 | 85% | 0.848 | S | S | * | * | trans | 75.8 | 151.2 | 162.1 | -61.7 | 178.1 | 177.8 | -172.5 | 0 | 115.8 | ||||
| 930 | A | 36.3 | Very low | 35.3 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 100% | 1.43 | 85% | 0.849 | S | S | * | * | cis | -115.5 | 0 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 930 of 930 residues in 651.8 ms
(Link to these results)