| 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 | 29.7 | Very low | 29.9 | Very low | 111 Ų | 111 | 68.1 Ų | 68.1 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | 0 | -54.2 | 0 | -89.9 | -176.3 | 170.6 | 0 | 0 | 112.7 | F3 L4 V5 F194 | M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 2.94Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-L4 VanDerWaalsContact O-N 3.1Å; M1-V5 PolarHBondContact O-N 2.92Å; M1-V5 VanDerWaalsContact O-N 3.08Å; M1-F194 HydrophobicContact CB-CE2 4.49Å; M1-F194 HydrophobicContact CB-CZ 4.13Å; M1-F194 HydrophobicContact SD-CE2 4.49Å | |||
| 2 | Q | 28.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 70.9 Ų | 70.9 | 51% | 0.505 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.1 | -38 | 179.8 | -129.5 | 148.2 | 15.2 | 0 | 0 | 113.9 | S6 F194 | Q2-S6 WeakPolarHBondContact O-CB 3.46Å; Q2-S6 PolarHBondContact O-N 2.91Å; Q2-F194 HydrophobicContact CB-CE1 4.3Å; Q2-F194 HydrophobicContact CG-CE1 3.86Å |
| 3 | F | 33.3 | Very low | 29.3 | Very low | 48 Ų | 48 | 71.4 Ų | 71.4 | 21% | 0.211 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -75.6 | -36.2 | 175 | -124 | -91 | 0 | 0 | 0 | 114.5 | M1 V5 S6 A7 D33 T36 T294 V298 | M1-F3 VanDerWaalsContact C-N 3.27Å; M1-F3 PolarHBondContact O-N 2.94Å; F3-V5 VanDerWaalsContact C-N 3.28Å; F3-V5 PolarHBondContact O-N 3.33Å; F3-S6 PolarHBondContact O-N 3.43Å; F3-A7 WeakPolarHBondContact O-CB 3.39Å; F3-A7 PolarHBondContact O-N 2.88Å; F3-D33 WeakPolarHBondContact CD1-OD1 3.5Å; F3-T36 HydrophobicContact CD2-CG2 4.27Å; F3-T36 VanDerWaalsContact CE2-CB 3.49Å; F3-T36 HydrophobicContact CE2-CG2 3.14Å; F3-T36 HydrophobicContact CZ-CG2 3.29Å; F3-T36 VanDerWaalsContact CZ-OG1 3.29Å; F3-T36 WeakPolarHBondContact CZ-OG1 3.35Å; F3-T294 HydrophobicContact CE2-CG2 3.86Å; F3-V298 HydrophobicContact CE1-CG2 4.1Å; F3-V298 HydrophobicContact CE2-CG2 4.37Å; F3-V298 HydrophobicContact CZ-CG2 3.46Å; F3-V298 VanDerWaalsContact CZ-CG2 3.46Å |
| 4 | L | 32.4 | Very low | 28.9 | Very low | 64 Ų | 64 | 74.9 Ų | 74.9 | 34% | 0.335 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.5 | -34.8 | 175.8 | -91.8 | 160.7 | 0 | 0 | 0 | 111.5 | M1 A8 | M1-L4 PolarHBondContact O-N 3.35Å; M1-L4 VanDerWaalsContact O-N 3.1Å; L4-A8 VanDerWaalsContact O-CB 3.24Å; L4-A8 WeakPolarHBondContact O-CB 3.39Å; L4-A8 PolarHBondContact O-N 3.38Å |
| 5 | V | 33.3 | Very low | 28.8 | Very low | 53 Ų | 53 | 78.3 Ų | 78.3 | 32% | 0.321 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -80.9 | -35.3 | 175.2 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | M1 F3 A8 Q9 F198 | M1-V5 PolarHBondContact O-N 2.92Å; M1-V5 VanDerWaalsContact O-N 3.08Å; F3-V5 VanDerWaalsContact C-N 3.28Å; F3-V5 PolarHBondContact O-N 3.33Å; V5-A8 PolarHBondContact O-N 2.93Å; V5-Q9 WeakPolarHBondContact O-CB 3.49Å; V5-Q9 WeakPolarHBondContact O-CG 3.41Å; V5-Q9 PolarHBondContact O-N 3.36Å; V5-F198 HydrophobicContact CB-CE1 4Å; V5-F198 HydrophobicContact CB-CE2 4.09Å; V5-F198 HydrophobicContact CB-CZ 3.39Å; V5-F198 HydrophobicContact CG1-CD1 4.16Å; V5-F198 HydrophobicContact CG1-CD2 4.41Å; V5-F198 HydrophobicContact CG1-CE1 3.29Å; V5-F198 HydrophobicContact CG1-CE2 3.6Å; V5-F198 HydrophobicContact CG1-CZ 3.02Å; V5-F198 HydrophobicContact CG2-CE2 4.33Å; V5-F198 HydrophobicContact CG2-CZ 4.09Å |
| 6 | S | 31.1 | Very low | 28.5 | Very low | 36 Ų | 36 | 79.9 Ų | 79.9 | 25% | 0.252 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 171.2 | -103.3 | 0 | 0 | 0 | 0 | 113.2 | Q2 F3 Q9 M10 | Q2-S6 WeakPolarHBondContact O-CB 3.46Å; Q2-S6 PolarHBondContact O-N 2.91Å; F3-S6 PolarHBondContact O-N 3.43Å; S6-Q9 PolarHBondContact O-N 3.43Å; S6-M10 WeakPolarHBondContact O-CB 3.38Å; S6-M10 WeakPolarHBondContact O-CG 3.3Å; S6-M10 PolarHBondContact O-N 2.94Å |
| 7 | A | 30 | Very low | 28.4 | Very low | 56 Ų | 56 | 79.1 Ų | 79.1 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.4 | -37.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F3 Q9 G11 | F3-A7 WeakPolarHBondContact O-CB 3.39Å; F3-A7 PolarHBondContact O-N 2.88Å; A7-Q9 VanDerWaalsContact C-N 3.3Å; A7-Q9 PolarHBondContact O-N 3.47Å; A7-G11 PolarHBondContact O-N 3.3Å |
| 8 | A | 29.2 | Very low | 28.9 | Very low | 70 Ų | 70 | 79.1 Ų | 79.1 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.9 | -32.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L4 V5 | L4-A8 VanDerWaalsContact O-CB 3.24Å; L4-A8 WeakPolarHBondContact O-CB 3.39Å; L4-A8 PolarHBondContact O-N 3.38Å; V5-A8 PolarHBondContact O-N 2.93Å |
| 9 | Q | 27.3 | Very low | 29.1 | Very low | 64 Ų | 64 | 77.2 Ų | 77.2 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.1 | -37.5 | 177.4 | -75.8 | -170.6 | -39.7 | 0 | 0 | 113.4 | V5 S6 A7 G11 S12 F198 | V5-Q9 WeakPolarHBondContact O-CB 3.49Å; V5-Q9 WeakPolarHBondContact O-CG 3.41Å; V5-Q9 PolarHBondContact O-N 3.36Å; S6-Q9 PolarHBondContact O-N 3.43Å; A7-Q9 VanDerWaalsContact C-N 3.3Å; A7-Q9 PolarHBondContact O-N 3.47Å; Q9-G11 PolarHBondContact O-N 3.39Å; Q9-S12 VanDerWaalsContact O-CB 3.24Å; Q9-S12 WeakPolarHBondContact O-CB 3.37Å; Q9-S12 PolarHBondContact O-N 3Å; Q9-S12 VanDerWaalsContact O-N 3.14Å; Q9-S12 PolarHBondContact O-OG 3.33Å; Q9-F198 VanDerWaalsContact OE1-CE1 3.23Å |
| 10 | M | 26.8 | Very low | 29.2 | Very low | 104 Ų | 104 | 79.8 Ų | 79.8 | 51% | 0.512 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73 | -13.6 | 176.3 | -72.1 | -178.8 | 110 | 0 | 0 | 113.4 | S6 S12 V298 | S6-M10 WeakPolarHBondContact O-CB 3.38Å; S6-M10 WeakPolarHBondContact O-CG 3.3Å; S6-M10 PolarHBondContact O-N 2.94Å; M10-S12 VanDerWaalsContact C-N 3.26Å; M10-V298 HydrophobicContact CE-CG1 4.01Å; M10-V298 HydrophobicContact SD-CG1 4.01Å |
| 11 | G | 26.6 | Very low | 29.5 | Very low | 35 Ų | 35 | 80.9 Ų | 80.9 | 36% | 0.361 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A7 Q9 G13 D14 | A7-G11 PolarHBondContact O-N 3.3Å; Q9-G11 PolarHBondContact O-N 3.39Å; G11-G13 PolarHBondContact O-N 3.5Å; G11-D14 PolarHBondContact O-N 2.99Å |
| 12 | S | 26.1 | Very low | 29.8 | Very low | 102 Ų | 102 | 79.2 Ų | 79.2 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 40.5 | -177.7 | -52.4 | 0 | 0 | 0 | 0 | 113.5 | Q9 M10 | Q9-S12 VanDerWaalsContact O-CB 3.24Å; Q9-S12 WeakPolarHBondContact O-CB 3.37Å; Q9-S12 PolarHBondContact O-N 3Å; Q9-S12 VanDerWaalsContact O-N 3.14Å; Q9-S12 PolarHBondContact O-OG 3.33Å; M10-S12 VanDerWaalsContact C-N 3.26Å |
| 13 | G | 26.6 | Very low | 30.4 | Very low | 77 Ų | 77 | 79.8 Ų | 79.8 | 79% | 0.794 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -16.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G11 | G11-G13 PolarHBondContact O-N 3.5Š|
| 14 | D | 23.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 81 Ų | 81 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -143.8 | 115.4 | 177.2 | -130.9 | -23.2 | 0 | 0 | 0 | 110.1 | G11 Q16 | G11-D14 PolarHBondContact O-N 2.99Å; D14-Q16 PolarHBondContact O-N 3.33Å |
| 15 | S | 27.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 79.8 Ų | 79.8 | 89% | 0.888 | 50% | 0.496 | S | S | * | . | trans | -75.4 | 62.9 | -180 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 16 | Q | 23.1 | Very low | 31.4 | Very low | 103 Ų | 103 | 81.4 Ų | 81.4 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | trans | -100.9 | 130.8 | 174.6 | -72.3 | -95.6 | -53.3 | 0 | 0 | 109.6 | D14 Q20 | D14-Q16 PolarHBondContact O-N 3.33Å; Q16-Q20 VanDerWaalsContact OE1-OE1 3.08Å | ||
| 17 | P | 27 | Very low | 31.9 | Very low | 66 Ų | 66 | 87.5 Ų | 87.5 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | trans | -61.5 | 138.7 | 178.7 | 25 | -32.1 | 0 | 0 | 0 | 110.6 | S19 Q20 | P17-S19 CarbonylContact O-C 3.57Å; P17-S19 WeakPolarHBondContact O-CA 3.46Å; P17-S19 PolarHBondContact O-N 2.96Å; P17-Q20 PolarHBondContact O-N 2.97Å | ||
| 18 | V | 38 | Very low | 32.8 | Very low | 79 Ų | 79 | 88.7 Ų | 88.7 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -51.1 | -27.2 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 113 | Q20 Y21 | V18-Q20 PolarHBondContact O-N 3.49Å; V18-Y21 HydrophobicContact CG1-CD2 4.48Å; V18-Y21 WeakPolarHBondContact O-CD2 3.38Å |
| 19 | S | 32.8 | Very low | 33.7 | Very low | 44 Ų | 44 | 88.5 Ų | 88.5 | 31% | 0.308 | 51% | 0.507 | S | S | . | . | G | 310 helix | 20 | -86.7 | 128.8 | -70.9 | 0 | 0 | 0 | 0 | 121.2 | P17 D115 | P17-S19 CarbonylContact O-C 3.57Å; P17-S19 WeakPolarHBondContact O-CA 3.46Å; P17-S19 PolarHBondContact O-N 2.96Å; S19-D115 VanDerWaalsContact CB-CB 3.41Å; S19-D115 WeakPolarHBondContact CB-OD2 3.34Å; S19-D115 PolarHBondContact OG-OD1 2.88Å; S19-D115 PolarHBondContact OG-OD2 2.84Å | |
| 20 | Q | 30.6 | Very low | 34.9 | Very low | 128 Ų | 128 | 88.8 Ų | 88.8 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -96.5 | 2.6 | -155.2 | -84.1 | 167.5 | -51.9 | 0 | 0 | 112.9 | Q16 P17 V18 P22 | Q16-Q20 VanDerWaalsContact OE1-OE1 3.08Å; P17-Q20 PolarHBondContact O-N 2.97Å; V18-Q20 PolarHBondContact O-N 3.49Å; Q20-P22 VanDerWaalsContact O-CD 3.31Å; Q20-P22 WeakPolarHBondContact O-CD 3.18Å |
| 21 | Y | 35.5 | Very low | 36.1 | Very low | 103 Ų | 103 | 90 Ų | 90 | 40% | 0.404 | 51% | 0.513 | S | S | . | . | trans | -71.6 | 119.2 | 177.6 | -66.5 | -67.7 | 0 | 0 | 0 | 109.9 | V18 C25 | V18-Y21 HydrophobicContact CG1-CD2 4.48Å; V18-Y21 WeakPolarHBondContact O-CD2 3.38Å; Y21-C25 HydrophobicContact CD1-CB 4.46Å | ||
| 22 | P | 36.3 | Very low | 37.4 | Very low | 77 Ų | 77 | 89 Ų | 89 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | trans | -59.1 | 151.5 | 177.6 | 23 | -31 | 0 | 0 | 0 | 109.8 | Q20 S24 C25 I26 | Q20-P22 VanDerWaalsContact O-CD 3.31Å; Q20-P22 WeakPolarHBondContact O-CD 3.18Å; P22-S24 PolarHBondContact O-N 3.08Å; P22-C25 HydrophobicContact CG-CB 4.07Å; P22-C25 WeakPolarHBondContact O-CA 3.43Å; P22-C25 VanDerWaalsContact O-CB 3.24Å; P22-C25 WeakPolarHBondContact O-CB 3.34Å; P22-C25 PolarHBondContact O-N 3.35Å; P22-I26 PolarHBondContact O-N 2.95Å | ||
| 23 | I | 41.5 | Very low | 38.7 | Very low | 119 Ų | 119 | 85.1 Ų | 85.1 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -53 | -28.1 | -177.8 | -63 | 179 | 0 | 0 | 0 | 112.1 | R27 | I23-R27 WeakPolarHBondContact O-CB 3.49Å; I23-R27 PolarHBondContact O-N 3.28Å |
| 24 | S | 35.1 | Very low | 40.4 | Very low | 74 Ų | 74 | 84.3 Ų | 84.3 | 52% | 0.517 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 171.7 | 27.9 | 0 | 0 | 0 | 0 | 113.7 | P22 K28 | P22-S24 PolarHBondContact O-N 3.08Å; S24-K28 WeakPolarHBondContact O-CB 3.5Å; S24-K28 WeakPolarHBondContact O-CG 3.2Å; S24-K28 PolarHBondContact O-N 2.73Å |
| 25 | C | 38.8 | Very low | 42 | Very low | 39 Ų | 39 | 81 Ų | 81 | 26% | 0.264 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 176 | -151.6 | 0 | 0 | 0 | 0 | 111 | Y21 P22 R27 K28 C29 | Y21-C25 HydrophobicContact CD1-CB 4.46Å; P22-C25 HydrophobicContact CG-CB 4.07Å; P22-C25 WeakPolarHBondContact O-CA 3.43Å; P22-C25 VanDerWaalsContact O-CB 3.24Å; P22-C25 WeakPolarHBondContact O-CB 3.34Å; P22-C25 PolarHBondContact O-N 3.35Å; C25-R27 VanDerWaalsContact C-N 3.35Å; C25-R27 PolarHBondContact O-N 2.9Å; C25-K28 PolarHBondContact O-N 3.2Å; C25-C29 PolarHBondContact O-N 3.36Å; C25-C29 PolarHBondContact O-SG 2.76Å; C25-C29 VanDerWaalsContact O-SG 3.39Å |
| 26 | I | 45.1 | Very low | 43.4 | Very low | 86 Ų | 86 | 75 Ų | 75 | 44% | 0.441 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 173.4 | -61.1 | 173.9 | 0 | 0 | 0 | 111 | P22 C29 Q30 | P22-I26 PolarHBondContact O-N 2.95Å; I26-C29 PolarHBondContact O-N 2.72Å; I26-Q30 WeakPolarHBondContact O-CB 3.39Å; I26-Q30 PolarHBondContact O-N 3.01Å |
| 27 | R | 43.2 | Very low | 45.1 | Very low | 164 Ų | 164 | 71.1 Ų | 71.1 | 62% | 0.619 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | 176.4 | -167.8 | -179.2 | -66.7 | -169.2 | -0.3 | 112.2 | I23 C25 Q30 H31 | I23-R27 WeakPolarHBondContact O-CB 3.49Å; I23-R27 PolarHBondContact O-N 3.28Å; C25-R27 VanDerWaalsContact C-N 3.35Å; C25-R27 PolarHBondContact O-N 2.9Å; R27-Q30 WeakPolarHBondContact O-CB 3.44Å; R27-Q30 PolarHBondContact O-N 3.2Å; R27-H31 PolarHBondContact O-CD2 2.7Å; R27-H31 PolarHBondContact O-N 3.28Å |
| 28 | K | 48.4 | Very low | 46.8 | Very low | 81 Ų | 81 | 69 Ų | 69 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 175.6 | -79.9 | 178.8 | 167.5 | -162.6 | 0 | 112.3 | S24 C25 Q30 H31 S32 F301 M305 E308 | S24-K28 WeakPolarHBondContact O-CB 3.5Å; S24-K28 WeakPolarHBondContact O-CG 3.2Å; S24-K28 PolarHBondContact O-N 2.73Å; C25-K28 PolarHBondContact O-N 3.2Å; K28-Q30 VanDerWaalsContact C-N 3.29Å; K28-Q30 PolarHBondContact O-N 3.15Å; K28-H31 PolarHBondContact O-N 2.75Å; K28-S32 PolarHBondContact O-N 3.14Å; K28-S32 VanDerWaalsContact O-N 3.14Å; K28-F301 WeakPolarHBondContact O-CZ 3.18Å; K28-M305 HydrophobicContact CB-CE 4.5Å; K28-M305 HydrophobicContact CB-SD 4.33Å; K28-M305 HydrophobicContact CD-CE 3.81Å; K28-M305 HydrophobicContact CD-SD 3.89Å; K28-M305 HydrophobicContact CG-SD 4.39Å; K28-E308 WeakPolarHBondContact CE-OE2 3.47Å; K28-E308 IonicContact NZ-OE2 2.67Å; K28-E308 PolarHBondContact NZ-OE2 3.33Å |
| 29 | C | 48.2 | Very low | 48 | Very low | 66 Ų | 66 | 66.4 Ų | 66.4 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | 170.3 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | C25 I26 H31 S32 D33 | C25-C29 PolarHBondContact O-N 3.36Å; C25-C29 PolarHBondContact O-SG 2.76Å; C25-C29 VanDerWaalsContact O-SG 3.39Å; I26-C29 PolarHBondContact O-N 2.72Å; C29-H31 VanDerWaalsContact C-N 3.34Å; C29-H31 PolarHBondContact O-N 3.22Å; C29-S32 WeakPolarHBondContact O-CA 3.5Å; C29-S32 WeakPolarHBondContact O-CB 3.38Å; C29-S32 PolarHBondContact O-N 2.93Å; C29-D33 PolarHBondContact O-N 2.75Å |
| 30 | Q | 51.5 | Low | 49.2 | Very low | 70 Ų | 70 | 64.9 Ų | 64.9 | 33% | 0.327 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 179.3 | -165.1 | 168.1 | 6.3 | 0 | 0 | 113.4 | I26 R27 K28 L34 F102 | I26-Q30 WeakPolarHBondContact O-CB 3.39Å; I26-Q30 PolarHBondContact O-N 3.01Å; R27-Q30 WeakPolarHBondContact O-CB 3.44Å; R27-Q30 PolarHBondContact O-N 3.2Å; K28-Q30 VanDerWaalsContact C-N 3.29Å; K28-Q30 PolarHBondContact O-N 3.15Å; Q30-L34 PolarHBondContact O-N 3.36Å; Q30-F102 HydrophobicContact CG-CD2 3.82Å; Q30-F102 HydrophobicContact CG-CE2 3.87Å |
| 31 | H | 53.6 | Low | 50.8 | Low | 131 Ų | 131 | 60.5 Ų | 60.5 | 61% | 0.606 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68.8 | -34.8 | 171.1 | -88.4 | -85.8 | 0 | 0 | 0 | 112.4 | R27 K28 C29 S35 | R27-H31 PolarHBondContact O-CD2 2.7Å; R27-H31 PolarHBondContact O-N 3.28Å; K28-H31 PolarHBondContact O-N 2.75Å; C29-H31 VanDerWaalsContact C-N 3.34Å; C29-H31 PolarHBondContact O-N 3.22Å; H31-S35 PolarHBondContact O-N 3.48Å; H31-S35 VanDerWaalsContact O-N 3.13Å; H31-S35 PolarHBondContact O-OG 2.93Å |
| 32 | S | 52.8 | Low | 52.2 | Low | 12 Ų | 12 | 59.2 Ų | 59.2 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 175.3 | -159.7 | 0 | 0 | 0 | 0 | 113.5 | K28 C29 L34 S35 T36 F301 | K28-S32 PolarHBondContact O-N 3.14Å; K28-S32 VanDerWaalsContact O-N 3.14Å; C29-S32 WeakPolarHBondContact O-CA 3.5Å; C29-S32 WeakPolarHBondContact O-CB 3.38Å; C29-S32 PolarHBondContact O-N 2.93Å; S32-L34 VanDerWaalsContact C-N 3.3Å; S32-L34 PolarHBondContact O-N 2.9Å; S32-S35 PolarHBondContact O-N 3.26Å; S32-S35 PolarHBondContact O-OG 3.33Å; S32-T36 PolarHBondContact O-N 2.81Å; S32-T36 PolarHBondContact O-OG1 3.3Å; S32-F301 VanDerWaalsContact CB-CE1 3.41Å; S32-F301 VanDerWaalsContact CB-CE2 3.5Å; S32-F301 WeakPolarHBondContact OG-CD1 3.3Å; S32-F301 WeakPolarHBondContact OG-CD2 3.46Å; S32-F301 WeakPolarHBondContact OG-CE1 3.04Å; S32-F301 WeakPolarHBondContact OG-CG 3.34Å; S32-F301 WeakPolarHBondContact OG-CZ 2.93Å |
| 33 | D | 54.5 | Low | 53.5 | Low | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | -179.9 | -73.9 | -43.5 | 0 | 0 | 0 | 111.2 | F3 C29 G37 F102 | F3-D33 WeakPolarHBondContact CD1-OD1 3.5Å; C29-D33 PolarHBondContact O-N 2.75Å; D33-G37 PolarHBondContact O-N 3.06Å; D33-F102 WeakPolarHBondContact OD2-CZ 3.21Å |
| 34 | L | 60.4 | Low | 54.4 | Low | 60 Ų | 60 | 52.3 Ų | 52.3 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70.5 | -43.6 | 178.8 | -174.9 | 62.7 | 0 | 0 | 0 | 111.8 | Q30 S32 A38 T95 | Q30-L34 PolarHBondContact O-N 3.36Å; S32-L34 VanDerWaalsContact C-N 3.3Å; S32-L34 PolarHBondContact O-N 2.9Å; L34-A38 VanDerWaalsContact O-CB 3.28Å; L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.44Å; L34-T95 HydrophobicContact CD1-CG2 4.07Å; L34-T95 WeakPolarHBondContact CD1-OG1 3.39Å; L34-T95 HydrophobicContact CD2-CG2 4.31Å |
| 35 | S | 58.2 | Low | 55.9 | Low | 50 Ų | 50 | 48.8 Ų | 48.8 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 178.9 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | H31 S32 A38 A39 | H31-S35 PolarHBondContact O-N 3.48Å; H31-S35 VanDerWaalsContact O-N 3.13Å; H31-S35 PolarHBondContact O-OG 2.93Å; S32-S35 PolarHBondContact O-N 3.26Å; S32-S35 PolarHBondContact O-OG 3.33Å; S35-A38 PolarHBondContact O-N 2.66Å; S35-A39 WeakPolarHBondContact O-CB 3.41Å; S35-A39 PolarHBondContact O-N 3.11Å |
| 36 | T | 57.4 | Low | 57.1 | Low | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.7 | -39.2 | 177.1 | -45.4 | 0 | 0 | 0 | 0 | 112.9 | F3 S32 A38 A39 G40 T294 T297 | F3-T36 HydrophobicContact CD2-CG2 4.27Å; F3-T36 VanDerWaalsContact CE2-CB 3.49Å; F3-T36 HydrophobicContact CE2-CG2 3.14Å; F3-T36 HydrophobicContact CZ-CG2 3.29Å; F3-T36 VanDerWaalsContact CZ-OG1 3.29Å; F3-T36 WeakPolarHBondContact CZ-OG1 3.35Å; S32-T36 PolarHBondContact O-N 2.81Å; S32-T36 PolarHBondContact O-OG1 3.3Å; T36-A38 VanDerWaalsContact C-N 3.29Å; T36-A38 PolarHBondContact O-N 2.73Å; T36-A39 PolarHBondContact O-N 2.97Å; T36-G40 PolarHBondContact O-N 3.21Å; T36-T294 HydrophobicContact CG2-CG2 4.21Å; T36-T297 HydrophobicContact CG2-CG2 4.08Å; T36-T297 WeakPolarHBondContact OG1-CG2 3.5Å |
| 37 | G | 58.3 | Low | 58.2 | Low | 20 Ų | 20 | 45.7 Ų | 45.7 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D33 V41 | D33-G37 PolarHBondContact O-N 3.06Å; G37-V41 WeakPolarHBondContact O-CB 3.45Å; G37-V41 WeakPolarHBondContact O-CG2 3.28Å; G37-V41 PolarHBondContact O-N 3.11Å; G37-V41 VanDerWaalsContact O-N 3.07Å |
| 38 | A | 63.2 | Low | 59.4 | Low | 23 Ų | 23 | 39.9 Ų | 39.9 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L34 S35 T36 V41 L42 M91 | L34-A38 VanDerWaalsContact O-CB 3.28Å; L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.44Å; S35-A38 PolarHBondContact O-N 2.66Å; T36-A38 VanDerWaalsContact C-N 3.29Å; T36-A38 PolarHBondContact O-N 2.73Å; A38-V41 PolarHBondContact O-N 2.87Å; A38-L42 WeakPolarHBondContact O-CG 3.14Å; A38-L42 PolarHBondContact O-N 3.12Å; A38-M91 VanDerWaalsContact CA-CE 3.5Å; A38-M91 HydrophobicContact CB-CE 3.59Å; A38-M91 HydrophobicContact CB-SD 4.3Å |
| 39 | A | 61.6 | Low | 60.2 | Low | 24 Ų | 24 | 36.9 Ų | 36.9 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S35 T36 V41 L42 V43 T293 T297 | S35-A39 WeakPolarHBondContact O-CB 3.41Å; S35-A39 PolarHBondContact O-N 3.11Å; T36-A39 PolarHBondContact O-N 2.97Å; A39-V41 PolarHBondContact O-N 3.35Å; A39-L42 PolarHBondContact O-N 3Å; A39-V43 PolarHBondContact O-N 3.35Å; A39-V43 VanDerWaalsContact O-N 3.08Å; A39-T293 HydrophobicContact CB-CG2 3.89Å; A39-T297 HydrophobicContact CB-CG2 4.33Å; A39-T297 WeakPolarHBondContact CB-OG1 3.43Å |
| 40 | G | 58.6 | Low | 61.1 | Low | 12 Ų | 12 | 33.8 Ų | 33.8 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | T36 G44 | T36-G40 PolarHBondContact O-N 3.21Å; G40-G44 PolarHBondContact O-N 3.35Å |
| 41 | V | 64.4 | Low | 62 | Low | 35 Ų | 35 | 31.5 Ų | 31.5 | 21% | 0.212 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | G37 A38 A39 V43 G44 H45 I87 P90 M91 L94 | G37-V41 WeakPolarHBondContact O-CB 3.45Å; G37-V41 WeakPolarHBondContact O-CG2 3.28Å; G37-V41 PolarHBondContact O-N 3.11Å; G37-V41 VanDerWaalsContact O-N 3.07Å; A38-V41 PolarHBondContact O-N 2.87Å; A39-V41 PolarHBondContact O-N 3.35Å; V41-V43 PolarHBondContact O-N 3.33Å; V41-G44 PolarHBondContact O-N 3.21Å; V41-H45 WeakPolarHBondContact O-CB 3.18Å; V41-H45 PolarHBondContact O-N 3.42Å; V41-I87 HydrophobicContact CG1-CD1 4.26Å; V41-I87 HydrophobicContact CG1-CG1 4.08Å; V41-P90 HydrophobicContact CG1-CB 4.49Å; V41-M91 HydrophobicContact CG1-CG 4.41Å; V41-L94 HydrophobicContact CG2-CD2 4.22Å |
| 42 | L | 64.9 | Low | 62.5 | Low | 77 Ų | 77 | 26.6 Ų | 26.6 | 40% | 0.403 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 179.7 | -76.4 | 162.9 | 0 | 0 | 0 | 112.4 | A38 A39 P46 Y84 I87 | A38-L42 WeakPolarHBondContact O-CG 3.14Å; A38-L42 PolarHBondContact O-N 3.12Å; A39-L42 PolarHBondContact O-N 3Å; L42-P46 WeakPolarHBondContact O-CD 2.99Å; L42-Y84 HydrophobicContact CD2-CE1 4.38Å; L42-Y84 WeakPolarHBondContact O-CE1 3.35Å; L42-I87 HydrophobicContact CD2-CD1 3.52Å; L42-I87 HydrophobicContact CG-CD1 4.22Å |
| 43 | V | 63.4 | Low | 63.2 | Low | 50 Ų | 50 | 27.5 Ų | 27.5 | 30% | 0.303 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -78.5 | -32.5 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | A39 V41 P46 P289 T293 | A39-V43 PolarHBondContact O-N 3.35Å; A39-V43 VanDerWaalsContact O-N 3.08Å; V41-V43 PolarHBondContact O-N 3.33Å; V43-P46 WeakPolarHBondContact O-CD 3.24Å; V43-P289 HydrophobicContact CG1-CB 3.72Å; V43-T293 HydrophobicContact CB-CG2 4.15Å; V43-T293 WeakPolarHBondContact CB-OG1 3.45Å; V43-T293 WeakPolarHBondContact CG1-OG1 3.44Å; V43-T293 HydrophobicContact CG2-CG2 3.69Å; V43-T293 WeakPolarHBondContact CG2-OG1 3.24Å |
| 44 | G | 59.8 | Low | 63.7 | Low | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -77.5 | -26 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | G40 V41 F47 D48 | G40-G44 PolarHBondContact O-N 3.35Å; V41-G44 PolarHBondContact O-N 3.21Å; G44-F47 PolarHBondContact O-N 3.28Å; G44-F47 VanDerWaalsContact O-N 3.12Å; G44-D48 PolarHBondContact O-N 3.47Å |
| 45 | H | 67.3 | Low | 63.4 | Low | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | -171.5 | -161.7 | 64.4 | 0 | 0 | 0 | 115.5 | V41 F47 D48 T49 L83 I87 | V41-H45 WeakPolarHBondContact O-CB 3.18Å; V41-H45 PolarHBondContact O-N 3.42Å; H45-F47 VanDerWaalsContact C-N 3.28Å; H45-F47 PolarHBondContact O-N 3.49Å; H45-D48 PolarHBondContact O-N 3.15Å; H45-T49 WeakPolarHBondContact O-CB 3.15Å; H45-T49 PolarHBondContact O-N 3.14Å; H45-T49 PolarHBondContact O-OG1 3.04Å; H45-L83 PolarHBondContact CD2-O 3.41Å; H45-I87 HydrophobicContact CB-CD1 4.16Å |
| 46 | P | 64.4 | Low | 63.4 | Low | 15 Ų | 15 | 26.7 Ų | 26.7 | 10% | 0.097 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57 | -42 | 174.2 | -27 | 36.4 | 0 | 0 | 0 | 112.4 | L42 V43 T49 V50 L83 | L42-P46 WeakPolarHBondContact O-CD 2.99Å; V43-P46 WeakPolarHBondContact O-CD 3.24Å; P46-T49 PolarHBondContact O-N 3.02Å; P46-V50 WeakPolarHBondContact O-CG2 3.42Å; P46-V50 PolarHBondContact O-N 3.23Å; P46-V50 VanDerWaalsContact O-N 3.11Å; P46-L83 HydrophobicContact CB-CB 4.42Å; P46-L83 HydrophobicContact CB-CD2 4.09Å |
| 47 | F | 68.8 | Low | 63.4 | Low | 45 Ų | 45 | 27.4 Ų | 27.4 | 20% | 0.197 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75 | -37.6 | 179.9 | -62.7 | -80.5 | 0 | 0 | 0 | 112.6 | G44 H45 T49 V50 K51 L285 R286 P289 | G44-F47 PolarHBondContact O-N 3.28Å; G44-F47 VanDerWaalsContact O-N 3.12Å; H45-F47 VanDerWaalsContact C-N 3.28Å; H45-F47 PolarHBondContact O-N 3.49Å; F47-T49 PolarHBondContact O-N 3.43Å; F47-V50 PolarHBondContact O-N 3.09Å; F47-K51 WeakPolarHBondContact O-CB 3.49Å; F47-K51 PolarHBondContact O-N 3.48Å; F47-L285 HydrophobicContact CD1-CD2 4.45Å; F47-L285 HydrophobicContact CE1-CD2 3.85Å; F47-L285 HydrophobicContact CE1-CG 4.08Å; F47-R286 HydrophobicContact CB-CB 3.64Å; F47-R286 HydrophobicContact CB-CG 3.49Å; F47-R286 VanDerWaalsContact CB-CG 3.49Å; F47-R286 HydrophobicContact CD1-CB 4.29Å; F47-R286 HydrophobicContact CD2-CB 4.39Å; F47-R286 HydrophobicContact CD2-CG 4.11Å; F47-R286 HydrophobicContact CG-CB 3.87Å; F47-R286 HydrophobicContact CG-CG 3.91Å; F47-P289 HydrophobicContact CE2-CB 4.07Å; F47-P289 HydrophobicContact CE2-CG 3.81Å; F47-P289 HydrophobicContact CZ-CG 3.82Å |
| 48 | D | 66.9 | Low | 63.2 | Low | 42 Ų | 42 | 31.1 Ų | 31.1 | 23% | 0.225 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 173.4 | -69.2 | -19.4 | 0 | 0 | 0 | 110.4 | G44 H45 K51 V52 R286 | G44-D48 PolarHBondContact O-N 3.47Å; H45-D48 PolarHBondContact O-N 3.15Å; D48-K51 PolarHBondContact O-N 2.9Å; D48-V52 VanDerWaalsContact O-CG2 3.31Å; D48-V52 WeakPolarHBondContact O-CG2 2.95Å; D48-V52 PolarHBondContact O-N 3.06Å; D48-R286 WeakPolarHBondContact OD1-CD 3.39Å; D48-R286 IonicContact OD1-CZ 3.03Å; D48-R286 IonicContact OD1-NE 3.89Å; D48-R286 IonicContact OD1-NH1 3.26Å; D48-R286 PolarHBondContact OD1-NH1 3.41Å; D48-R286 IonicContact OD2-NH1 2.85Å |
| 49 | T | 66.1 | Low | 62.8 | Low | 18 Ų | 18 | 33.1 Ų | 33.1 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 176.3 | -59.9 | 0 | 0 | 0 | 0 | 111.5 | H45 P46 F47 R53 | H45-T49 WeakPolarHBondContact O-CB 3.15Å; H45-T49 PolarHBondContact O-N 3.14Å; H45-T49 PolarHBondContact O-OG1 3.04Å; P46-T49 PolarHBondContact O-N 3.02Å; F47-T49 PolarHBondContact O-N 3.43Å; T49-R53 WeakPolarHBondContact O-CG 3.4Å; T49-R53 PolarHBondContact O-N 3.13Å; T49-R53 VanDerWaalsContact O-N 3.09Å |
| 50 | V | 67.8 | Low | 62.3 | Low | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 177.4 | 174 | 0 | 0 | 0 | 0 | 111.2 | P46 F47 V52 R53 L54 T67 C70 F71 I74 | P46-V50 WeakPolarHBondContact O-CG2 3.42Å; P46-V50 PolarHBondContact O-N 3.23Å; P46-V50 VanDerWaalsContact O-N 3.11Å; F47-V50 PolarHBondContact O-N 3.09Å; V50-V52 PolarHBondContact O-N 3.47Å; V50-R53 PolarHBondContact O-N 3.4Å; V50-L54 HydrophobicContact CG1-CD1 3.47Å; V50-L54 VanDerWaalsContact CG1-CD1 3.47Å; V50-L54 WeakPolarHBondContact O-CB 3.37Å; V50-L54 WeakPolarHBondContact O-CD1 3.35Å; V50-L54 PolarHBondContact O-N 3.38Å; V50-T67 HydrophobicContact CG1-CG2 3.64Å; V50-C70 HydrophobicContact CG1-CB 4.2Å; V50-F71 HydrophobicContact CG2-CB 3.99Å; V50-F71 HydrophobicContact CG2-CD2 3.89Å; V50-F71 HydrophobicContact CG2-CG 4.46Å; V50-I74 HydrophobicContact CG2-CD1 4.08Å |
| 51 | K | 68.9 | Low | 62.1 | Low | 21 Ų | 21 | 46.6 Ų | 46.6 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.7 | -50.9 | 178.3 | 177.2 | -176.2 | 173.1 | -178 | 0 | 111.5 | F47 D48 R53 L54 Q55 D240 | F47-K51 WeakPolarHBondContact O-CB 3.49Å; F47-K51 PolarHBondContact O-N 3.48Å; D48-K51 PolarHBondContact O-N 2.9Å; K51-R53 PolarHBondContact O-N 3.18Å; K51-L54 PolarHBondContact O-N 3.4Å; K51-Q55 VanDerWaalsContact CE-NE2 3.31Å; K51-Q55 HydrophobicContact CG-CG 4.39Å; K51-Q55 WeakPolarHBondContact O-CB 3.41Å; K51-Q55 WeakPolarHBondContact O-CG 3.38Å; K51-Q55 PolarHBondContact O-N 3.41Å; K51-D240 WeakPolarHBondContact CE-OD2 3.34Å; K51-D240 IonicContact NZ-OD2 3.54Å; K51-D240 PolarHBondContact NZ-OD2 3.26Å |
| 52 | V | 64.4 | Low | 61.8 | Low | 28 Ų | 28 | 48.9 Ų | 48.9 | 17% | 0.17 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | -179.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | D48 V50 L54 Q55 V56 Q146 | D48-V52 VanDerWaalsContact O-CG2 3.31Å; D48-V52 WeakPolarHBondContact O-CG2 2.95Å; D48-V52 PolarHBondContact O-N 3.06Å; V50-V52 PolarHBondContact O-N 3.47Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.18Å; V52-Q55 PolarHBondContact O-N 3.25Å; V52-V56 HydrophobicContact CG1-CG2 4.09Å; V52-V56 VanDerWaalsContact O-CB 3.32Å; V52-V56 WeakPolarHBondContact O-CB 3.44Å; V52-V56 WeakPolarHBondContact O-CG2 3.35Å; V52-V56 PolarHBondContact O-N 3.18Å; V52-Q146 HydrophobicContact CG1-CB 4.16Å |
| 53 | R | 67.2 | Low | 61.7 | Low | 31 Ų | 31 | 50.8 Ų | 50.8 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 178.2 | -67.5 | -156.5 | -173.9 | -164.2 | 5.6 | 113.2 | T49 V50 K51 Q57 Y64 E78 T150 | T49-R53 WeakPolarHBondContact O-CG 3.4Å; T49-R53 PolarHBondContact O-N 3.13Å; T49-R53 VanDerWaalsContact O-N 3.09Å; V50-R53 PolarHBondContact O-N 3.4Å; K51-R53 PolarHBondContact O-N 3.18Å; R53-Q57 PolarHBondContact O-N 2.95Å; R53-Y64 HydrophobicContact CB-CE2 4.41Å; R53-E78 IonicContact CZ-OE1 3.47Å; R53-E78 IonicContact CZ-OE2 3.24Å; R53-E78 IonicContact NH1-OE1 2.88Å; R53-E78 PolarHBondContact NH1-OE1 2.83Å; R53-E78 VanDerWaalsContact NH2-CD 3.28Å; R53-E78 IonicContact NH2-OE1 3.34Å; R53-E78 PolarHBondContact NH2-OE1 3.42Å; R53-E78 IonicContact NH2-OE2 2.67Å; R53-E78 PolarHBondContact NH2-OE2 3.46Å; R53-T150 HydrophobicContact CB-CG2 3.9Å; R53-T150 HydrophobicContact CG-CG2 3.6Å |
| 54 | L | 65.9 | Low | 61.8 | Low | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.5 | -32.3 | 176.3 | -95 | 128.2 | 0 | 0 | 0 | 114.3 | V50 K51 V52 V56 Q57 T67 C70 | V50-L54 HydrophobicContact CG1-CD1 3.47Å; V50-L54 VanDerWaalsContact CG1-CD1 3.47Å; V50-L54 WeakPolarHBondContact O-CB 3.37Å; V50-L54 WeakPolarHBondContact O-CD1 3.35Å; V50-L54 PolarHBondContact O-N 3.38Å; K51-L54 PolarHBondContact O-N 3.4Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.18Å; L54-V56 VanDerWaalsContact C-N 3.35Å; L54-Q57 WeakPolarHBondContact O-CG 3.47Å; L54-Q57 PolarHBondContact O-NE2 3.05Å; L54-T67 VanDerWaalsContact CD1-CA 3.49Å; L54-C70 HydrophobicContact CD1-CB 3.54Å; L54-C70 HydrophobicContact CG-CB 4.22Å |
| 55 | Q | 54.4 | Low | 62 | Low | 53 Ų | 53 | 61.1 Ų | 61.1 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.7 | -24.8 | 176.7 | -74.6 | -175.4 | -17.4 | 0 | 0 | 112.5 | K51 V52 S244 | K51-Q55 VanDerWaalsContact CE-NE2 3.31Å; K51-Q55 HydrophobicContact CG-CG 4.39Å; K51-Q55 WeakPolarHBondContact O-CB 3.41Å; K51-Q55 WeakPolarHBondContact O-CG 3.38Å; K51-Q55 PolarHBondContact O-N 3.41Å; V52-Q55 PolarHBondContact O-N 3.25Å; Q55-S244 PolarHBondContact OE1-OG 3.02Å |
| 56 | V | 57.8 | Low | 62.1 | Low | 44 Ų | 44 | 62.2 Ų | 62.2 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -95.3 | -14.3 | -174.5 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | V52 L54 M147 | V52-V56 HydrophobicContact CG1-CG2 4.09Å; V52-V56 VanDerWaalsContact O-CB 3.32Å; V52-V56 WeakPolarHBondContact O-CB 3.44Å; V52-V56 WeakPolarHBondContact O-CG2 3.35Å; V52-V56 PolarHBondContact O-N 3.18Å; L54-V56 VanDerWaalsContact C-N 3.35Å; V56-M147 HydrophobicContact CG1-CB 4.5Å; V56-M147 HydrophobicContact CG1-CG 4.27Å; V56-M147 HydrophobicContact CG2-CG 3.59Å; V56-M147 HydrophobicContact CG2-SD 3.98Å |
| 57 | Q | 57.7 | Low | 62.3 | Low | 18 Ų | 18 | 62.5 Ų | 62.5 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -60 | 141.7 | 178.5 | 76.4 | -175.2 | -50.1 | 0 | 0 | 111.8 | R53 L54 Y64 | R53-Q57 PolarHBondContact O-N 2.95Å; L54-Q57 WeakPolarHBondContact O-CG 3.47Å; L54-Q57 PolarHBondContact O-NE2 3.05Å; Q57-Y64 PolarHBondContact OE1-O 2.89Å |
| 58 | N | 53.3 | Low | 62.5 | Low | 98 Ų | 98 | 67.3 Ų | 67.3 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | trans | -61.7 | 138.7 | 175.8 | -89.6 | -47.2 | 0 | 0 | 0 | 111.1 | D60 K61 | N58-D60 VanDerWaalsContact C-N 3.34Å; N58-K61 CarbonylContact O-C 3.45Å | ||
| 59 | V | 55.8 | Low | 62.8 | Low | 65 Ų | 65 | 69.3 Ų | 69.3 | 39% | 0.394 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -69.1 | -37.1 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | E271 | V59-E271 HydrophobicContact CG1-CG 4.02Å; V59-E271 HydrophobicContact CG2-CG 4.41Å; V59-E271 WeakPolarHBondContact CG2-OE1 3.38Å; V59-E271 WeakPolarHBondContact CG2-OE2 3.5Å |
| 60 | D | 50.6 | Low | 62.9 | Low | 151 Ų | 151 | 68.5 Ų | 68.5 | 81% | 0.807 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -79.1 | -21.5 | -175.3 | -53 | -52.3 | 0 | 0 | 0 | 113.7 | N58 | N58-D60 VanDerWaalsContact C-N 3.34Š|
| 61 | K | 54.5 | Low | 63.1 | Low | 168 Ų | 168 | 72.4 Ų | 72.4 | 73% | 0.73 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -141.9 | 84.2 | 176.3 | -70.6 | -174.1 | -176.9 | 177 | 0 | 110.3 | N58 L63 | N58-K61 CarbonylContact O-C 3.45Å; K61-L63 PolarHBondContact O-N 3.42Å; K61-L63 VanDerWaalsContact O-N 3.14Å |
| 62 | P | 58.5 | Low | 63.4 | Low | 82 Ų | 82 | 75.3 Ų | 75.3 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | trans | -68.2 | 112.8 | -178.7 | 26.4 | -32.8 | 0 | 0 | 0 | 110.7 | Y64 | P62-Y64 VanDerWaalsContact C-N 3.25Å; P62-Y64 PolarHBondContact O-N 3.41Å | ||
| 63 | L | 62.9 | Low | 63.6 | Low | 118 Ų | 118 | 74.8 Ų | 74.8 | 62% | 0.618 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69 | -24.8 | 172.3 | -88.4 | 98.7 | 0 | 0 | 0 | 112.4 | K61 | K61-L63 PolarHBondContact O-N 3.42Å; K61-L63 VanDerWaalsContact O-N 3.14Å |
| 64 | Y | 65.1 | Low | 63.7 | Low | 22 Ų | 22 | 73.3 Ų | 73.3 | 9% | 0.086 | 36% | 0.361 | C | S | . | . | trans | -127.2 | 121 | -176.8 | -57.4 | -69.8 | 0 | 0 | 0 | 111.1 | R53 Q57 P62 G66 C70 | R53-Y64 HydrophobicContact CB-CE2 4.41Å; Q57-Y64 PolarHBondContact OE1-O 2.89Å; P62-Y64 VanDerWaalsContact C-N 3.25Å; P62-Y64 PolarHBondContact O-N 3.41Å; Y64-G66 PolarHBondContact O-N 3.39Å; Y64-C70 HydrophobicContact CD1-CB 3.82Å; Y64-C70 HydrophobicContact CD2-CB 4.39Å; Y64-C70 HydrophobicContact CE1-CB 4.39Å; Y64-C70 HydrophobicContact CG-CB 3.8Å | ||
| 65 | R | 64 | Low | 64.2 | Low | 245 Ų | 245 | 74.4 Ų | 74.4 | 93% | 0.925 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -65.2 | -18.5 | 176.9 | -108.7 | -178.8 | 170.4 | -148.5 | -1.6 | 114.2 | H69 | R65-H69 HydrophobicContact CB-CB 4.41Š|
| 66 | G | 68.4 | Low | 65.1 | Low | 24 Ų | 24 | 81.1 Ų | 81.1 | 25% | 0.247 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 172.2 | -178 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y64 F68 H69 C70 | Y64-G66 PolarHBondContact O-N 3.39Å; G66-F68 PolarHBondContact O-N 2.93Å; G66-H69 PolarHBondContact O-N 3.39Å; G66-C70 WeakPolarHBondContact O-CB 3.48Å; G66-C70 PolarHBondContact O-N 3.39Å |
| 67 | T | 68.8 | Low | 65.7 | Low | 21 Ų | 21 | 86 Ų | 86 | 13% | 0.129 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -53.4 | -51.1 | -179.5 | -48.5 | 0 | 0 | 0 | 0 | 112.9 | V50 L54 C70 F71 S282 | V50-T67 HydrophobicContact CG1-CG2 3.64Å; L54-T67 VanDerWaalsContact CD1-CA 3.49Å; T67-C70 PolarHBondContact O-N 3Å; T67-F71 WeakPolarHBondContact O-CB 3.35Å; T67-F71 PolarHBondContact O-N 2.71Å; T67-S282 WeakPolarHBondContact CG2-OG 3.49Å |
| 68 | F | 73.9 | Confident | 65.9 | Low | 145 Ų | 145 | 88.7 Ų | 88.7 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | -179 | -73.4 | -82.6 | 0 | 0 | 0 | 112.7 | G66 C70 F71 Q72 L285 | G66-F68 PolarHBondContact O-N 2.93Å; F68-C70 VanDerWaalsContact C-N 3.34Å; F68-C70 PolarHBondContact O-N 2.99Å; F68-F71 PolarHBondContact O-N 3.04Å; F68-Q72 VanDerWaalsContact O-CB 3.28Å; F68-Q72 WeakPolarHBondContact O-CB 3.45Å; F68-Q72 PolarHBondContact O-N 3.19Å; F68-L285 HydrophobicContact CZ-CD2 4.33Å |
| 69 | H | 72.6 | Confident | 66.5 | Low | 85 Ų | 85 | 87.5 Ų | 87.5 | 39% | 0.394 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.1 | -171.8 | -96.5 | 0 | 0 | 0 | 111.5 | R65 G66 S73 | R65-H69 HydrophobicContact CB-CB 4.41Å; G66-H69 PolarHBondContact O-N 3.39Å; H69-S73 VanDerWaalsContact O-CB 3.23Å; H69-S73 WeakPolarHBondContact O-CB 3.45Å; H69-S73 PolarHBondContact O-N 2.99Å; H69-S73 PolarHBondContact O-OG 2.82Å |
| 70 | C | 69.1 | Low | 66.8 | Low | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 174.9 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | V50 L54 Y64 G66 T67 F68 Q72 S73 I74 | V50-C70 HydrophobicContact CG1-CB 4.2Å; L54-C70 HydrophobicContact CD1-CB 3.54Å; L54-C70 HydrophobicContact CG-CB 4.22Å; Y64-C70 HydrophobicContact CD1-CB 3.82Å; Y64-C70 HydrophobicContact CD2-CB 4.39Å; Y64-C70 HydrophobicContact CE1-CB 4.39Å; Y64-C70 HydrophobicContact CG-CB 3.8Å; G66-C70 WeakPolarHBondContact O-CB 3.48Å; G66-C70 PolarHBondContact O-N 3.39Å; T67-C70 PolarHBondContact O-N 3Å; F68-C70 VanDerWaalsContact C-N 3.34Å; F68-C70 PolarHBondContact O-N 2.99Å; C70-Q72 PolarHBondContact O-N 3.12Å; C70-S73 PolarHBondContact O-N 3.37Å; C70-I74 WeakPolarHBondContact O-CD1 3.33Å; C70-I74 VanDerWaalsContact O-CG1 3.22Å; C70-I74 WeakPolarHBondContact O-CG1 3.29Å; C70-I74 PolarHBondContact O-N 3.26Å |
| 71 | F | 71.1 | Confident | 67.2 | Low | 83 Ų | 83 | 89.4 Ų | 89.4 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58 | -50.5 | 177.3 | -178.6 | -99.6 | 0 | 0 | 0 | 112.1 | V50 T67 F68 S73 I74 V75 L83 | V50-F71 HydrophobicContact CG2-CB 3.99Å; V50-F71 HydrophobicContact CG2-CD2 3.89Å; V50-F71 HydrophobicContact CG2-CG 4.46Å; T67-F71 WeakPolarHBondContact O-CB 3.35Å; T67-F71 PolarHBondContact O-N 2.71Å; F68-F71 PolarHBondContact O-N 3.04Å; F71-S73 VanDerWaalsContact C-N 3.31Å; F71-S73 PolarHBondContact O-N 3.01Å; F71-I74 PolarHBondContact O-N 3.32Å; F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 4.01Å; F71-V75 HydrophobicContact CE2-CG2 4.34Å; F71-V75 HydrophobicContact CZ-CG2 3.99Å; F71-V75 WeakPolarHBondContact O-CG2 3.49Å; F71-V75 PolarHBondContact O-N 3.49Å; F71-L83 HydrophobicContact CD2-CD2 4.07Å; F71-L83 HydrophobicContact CE2-CD1 3.76Å; F71-L83 HydrophobicContact CE2-CD2 3.95Å; F71-L83 HydrophobicContact CZ-CD1 4.22Å |
| 72 | Q | 75.8 | Confident | 67.5 | Low | 83 Ų | 83 | 81.6 Ų | 81.6 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.7 | -38.9 | 178.6 | -172.7 | 178.9 | 17.8 | 0 | 0 | 112.3 | F68 C70 R76 | F68-Q72 VanDerWaalsContact O-CB 3.28Å; F68-Q72 WeakPolarHBondContact O-CB 3.45Å; F68-Q72 PolarHBondContact O-N 3.19Å; C70-Q72 PolarHBondContact O-N 3.12Å; Q72-R76 VanDerWaalsContact NE2-NH2 3.15Å; Q72-R76 WeakPolarHBondContact O-CB 3.21Å; Q72-R76 WeakPolarHBondContact O-CG 3.47Å; Q72-R76 PolarHBondContact O-N 3.02Å |
| 73 | S | 68.7 | Low | 67.6 | Low | 17 Ų | 17 | 77.9 Ų | 77.9 | 12% | 0.119 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | H69 C70 F71 R76 Q77 | H69-S73 VanDerWaalsContact O-CB 3.23Å; H69-S73 WeakPolarHBondContact O-CB 3.45Å; H69-S73 PolarHBondContact O-N 2.99Å; H69-S73 PolarHBondContact O-OG 2.82Å; C70-S73 PolarHBondContact O-N 3.37Å; F71-S73 VanDerWaalsContact C-N 3.31Å; F71-S73 PolarHBondContact O-N 3.01Å; S73-R76 PolarHBondContact O-N 3.11Å; S73-Q77 VanDerWaalsContact O-CB 3.23Å; S73-Q77 WeakPolarHBondContact O-CB 3.39Å; S73-Q77 VanDerWaalsContact O-CG 3.25Å; S73-Q77 WeakPolarHBondContact O-CG 3.47Å; S73-Q77 PolarHBondContact O-N 3.08Å |
| 74 | I | 69.6 | Low | 67.5 | Low | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.3 | -66.7 | 161.5 | 0 | 0 | 0 | 110.2 | V50 C70 F71 R76 Q77 E78 L83 | V50-I74 HydrophobicContact CG2-CD1 4.08Å; C70-I74 WeakPolarHBondContact O-CD1 3.33Å; C70-I74 VanDerWaalsContact O-CG1 3.22Å; C70-I74 WeakPolarHBondContact O-CG1 3.29Å; C70-I74 PolarHBondContact O-N 3.26Å; F71-I74 PolarHBondContact O-N 3.32Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 3.06Å; I74-Q77 PolarHBondContact O-N 3.39Å; I74-E78 WeakPolarHBondContact O-CA 3.48Å; I74-E78 PolarHBondContact O-N 2.86Å; I74-L83 HydrophobicContact CG2-CD2 3.91Å; I74-L83 HydrophobicContact CG2-CG 4Å |
| 75 | V | 74.6 | Confident | 67.2 | Low | 41 Ų | 41 | 83.6 Ų | 83.6 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 179.8 | 175 | 0 | 0 | 0 | 0 | 111.1 | F71 S79 M80 L83 | F71-V75 HydrophobicContact CD1-CG2 4.4Å; F71-V75 HydrophobicContact CE1-CG2 4.01Å; F71-V75 HydrophobicContact CE2-CG2 4.34Å; F71-V75 HydrophobicContact CZ-CG2 3.99Å; F71-V75 WeakPolarHBondContact O-CG2 3.49Å; F71-V75 PolarHBondContact O-N 3.49Å; V75-S79 WeakPolarHBondContact O-CA 3.33Å; V75-S79 PolarHBondContact O-N 3.06Å; V75-M80 HydrophobicContact CG1-CE 4.14Å; V75-M80 HydrophobicContact CG1-SD 4.18Å; V75-M80 HydrophobicContact CG2-SD 4.15Å; V75-L83 HydrophobicContact CG2-CD1 3.79Å |
| 76 | R | 73.7 | Confident | 67 | Low | 193 Ų | 193 | 74.2 Ų | 74.2 | 73% | 0.728 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.5 | -33 | 178.5 | -77.9 | -177.8 | 174 | 163.8 | -2.8 | 114.2 | Q72 S73 I74 | Q72-R76 VanDerWaalsContact NE2-NH2 3.15Å; Q72-R76 WeakPolarHBondContact O-CB 3.21Å; Q72-R76 WeakPolarHBondContact O-CG 3.47Å; Q72-R76 PolarHBondContact O-N 3.02Å; S73-R76 PolarHBondContact O-N 3.11Å; I74-R76 VanDerWaalsContact C-N 3.31Å; I74-R76 PolarHBondContact O-N 3.06Å |
| 77 | Q | 70.6 | Confident | 66.8 | Low | 146 Ų | 146 | 74.5 Ų | 74.5 | 68% | 0.682 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -98.4 | -32.1 | -173.3 | -66.6 | 177.3 | 0.8 | 0 | 0 | 113.9 | S73 I74 | S73-Q77 VanDerWaalsContact O-CB 3.23Å; S73-Q77 WeakPolarHBondContact O-CB 3.39Å; S73-Q77 VanDerWaalsContact O-CG 3.25Å; S73-Q77 WeakPolarHBondContact O-CG 3.47Å; S73-Q77 PolarHBondContact O-N 3.08Å; I74-Q77 PolarHBondContact O-N 3.39Å |
| 78 | E | 62.7 | Low | 66.4 | Low | 76 Ų | 76 | 75.3 Ų | 75.3 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -120.2 | 1.4 | -173.1 | -63.6 | -177 | -155.9 | 0 | 0 | 113.4 | R53 I74 G82 | R53-E78 IonicContact CZ-OE1 3.47Å; R53-E78 IonicContact CZ-OE2 3.24Å; R53-E78 IonicContact NH1-OE1 2.88Å; R53-E78 PolarHBondContact NH1-OE1 2.83Å; R53-E78 VanDerWaalsContact NH2-CD 3.28Å; R53-E78 IonicContact NH2-OE1 3.34Å; R53-E78 PolarHBondContact NH2-OE1 3.42Å; R53-E78 IonicContact NH2-OE2 2.67Å; R53-E78 PolarHBondContact NH2-OE2 3.46Å; I74-E78 WeakPolarHBondContact O-CA 3.48Å; I74-E78 PolarHBondContact O-N 2.86Å; E78-G82 PolarHBondContact O-N 3.49Å |
| 79 | S | 66.3 | Low | 65.7 | Low | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | 62.9 | 173.8 | -174.2 | -169.7 | 0 | 0 | 0 | 0 | 113.7 | V75 L81 G82 | V75-S79 WeakPolarHBondContact O-CA 3.33Å; V75-S79 PolarHBondContact O-N 3.06Å; S79-L81 PolarHBondContact O-N 3.34Å; S79-G82 PolarHBondContact O-N 2.9Å |
| 80 | M | 61.3 | Low | 65 | Low | 114 Ų | 114 | 67.7 Ų | 67.7 | 56% | 0.562 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.6 | -29.5 | 177.9 | -70.8 | -64.1 | -167.6 | 0 | 0 | 112.3 | V75 G82 L83 Y84 | V75-M80 HydrophobicContact CG1-CE 4.14Å; V75-M80 HydrophobicContact CG1-SD 4.18Å; V75-M80 HydrophobicContact CG2-SD 4.15Å; M80-G82 VanDerWaalsContact C-N 3.25Å; M80-G82 PolarHBondContact O-N 3.44Å; M80-L83 WeakPolarHBondContact O-CB 3.42Å; M80-L83 PolarHBondContact O-N 2.79Å; M80-L83 HydrophobicContact SD-CD1 4.1Å; M80-Y84 WeakPolarHBondContact O-CD2 3.39Å |
| 81 | L | 59 | Low | 64.7 | Low | 141 Ų | 141 | 69.8 Ų | 69.8 | 74% | 0.738 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.7 | -21.9 | 174.7 | -69.1 | 170.1 | 0 | 0 | 0 | 113.2 | S79 L83 Y84 K85 | S79-L81 PolarHBondContact O-N 3.34Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.02Å; L81-Y84 PolarHBondContact O-N 2.78Å; L81-K85 PolarHBondContact O-N 2.91Å |
| 82 | G | 60 | Low | 64.2 | Low | 5 Ų | 5 | 72.6 Ų | 72.6 | 5% | 0.052 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -32.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E78 S79 M80 Y84 K85 | E78-G82 PolarHBondContact O-N 3.49Å; S79-G82 PolarHBondContact O-N 2.9Å; M80-G82 VanDerWaalsContact C-N 3.25Å; M80-G82 PolarHBondContact O-N 3.44Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; G82-K85 WeakPolarHBondContact O-CB 3.34Å; G82-K85 PolarHBondContact O-N 3.14Å |
| 83 | L | 61.5 | Low | 63.7 | Low | 4 Ų | 4 | 69.2 Ų | 69.2 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.8 | -25.6 | 177.4 | -70.2 | 158.7 | 0 | 0 | 0 | 113.1 | H45 P46 F71 I74 V75 M80 L81 | H45-L83 PolarHBondContact CD2-O 3.41Å; P46-L83 HydrophobicContact CB-CB 4.42Å; P46-L83 HydrophobicContact CB-CD2 4.09Å; F71-L83 HydrophobicContact CD2-CD2 4.07Å; F71-L83 HydrophobicContact CE2-CD1 3.76Å; F71-L83 HydrophobicContact CE2-CD2 3.95Å; F71-L83 HydrophobicContact CZ-CD1 4.22Å; I74-L83 HydrophobicContact CG2-CD2 3.91Å; I74-L83 HydrophobicContact CG2-CG 4Å; V75-L83 HydrophobicContact CG2-CD1 3.79Å; M80-L83 WeakPolarHBondContact O-CB 3.42Å; M80-L83 PolarHBondContact O-N 2.79Å; M80-L83 HydrophobicContact SD-CD1 4.1Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 PolarHBondContact O-N 3.02Å |
| 84 | Y | 61.4 | Low | 63.4 | Low | 95 Ų | 95 | 70.5 Ų | 70.5 | 37% | 0.373 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.1 | 179.5 | -67.6 | -84.4 | 0 | 0 | 0 | 113.3 | L42 M80 L81 G82 G86 I87 | L42-Y84 HydrophobicContact CD2-CE1 4.38Å; L42-Y84 WeakPolarHBondContact O-CE1 3.35Å; M80-Y84 WeakPolarHBondContact O-CD2 3.39Å; L81-Y84 PolarHBondContact O-N 2.78Å; G82-Y84 VanDerWaalsContact C-N 3.33Å; Y84-G86 PolarHBondContact O-N 3.34Å; Y84-G86 VanDerWaalsContact O-N 3.15Å; Y84-I87 HydrophobicContact CD1-CD1 4Å; Y84-I87 WeakPolarHBondContact O-CB 3.02Å; Y84-I87 WeakPolarHBondContact O-CG2 3.32Å; Y84-I87 PolarHBondContact O-N 2.88Å |
| 85 | K | 58.3 | Low | 63.1 | Low | 164 Ų | 164 | 73.6 Ų | 73.6 | 71% | 0.713 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 112.9 | -176.1 | -164.4 | 172 | -174.6 | 169.1 | 0 | 110.6 | L81 G82 | L81-K85 PolarHBondContact O-N 2.91Å; G82-K85 WeakPolarHBondContact O-CB 3.34Å; G82-K85 PolarHBondContact O-N 3.14Å |
| 86 | G | 60.3 | Low | 62.9 | Low | 49 Ų | 49 | 77.7 Ų | 77.7 | 51% | 0.505 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.9 | 7.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y84 G88 S89 P90 | Y84-G86 PolarHBondContact O-N 3.34Å; Y84-G86 VanDerWaalsContact O-N 3.15Å; G86-G88 PolarHBondContact O-N 2.86Å; G86-S89 PolarHBondContact O-N 3.4Å; G86-P90 WeakPolarHBondContact O-CD 3.42Å |
| 87 | I | 64.5 | Low | 62.8 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 15% | 0.154 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.8 | 175.8 | -160.2 | 166.1 | 0 | 0 | 0 | 113.8 | V41 L42 H45 Y84 S89 P90 M91 | V41-I87 HydrophobicContact CG1-CD1 4.26Å; V41-I87 HydrophobicContact CG1-CG1 4.08Å; L42-I87 HydrophobicContact CD2-CD1 3.52Å; L42-I87 HydrophobicContact CG-CD1 4.22Å; H45-I87 HydrophobicContact CB-CD1 4.16Å; Y84-I87 HydrophobicContact CD1-CD1 4Å; Y84-I87 WeakPolarHBondContact O-CB 3.02Å; Y84-I87 WeakPolarHBondContact O-CG2 3.32Å; Y84-I87 PolarHBondContact O-N 2.88Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 3.06Å; I87-P90 WeakPolarHBondContact O-CD 3.42Å; I87-P90 VanDerWaalsContact O-CG 3.23Å; I87-P90 WeakPolarHBondContact O-CG 3.48Å; I87-M91 HydrophobicContact CG1-CG 4Å; I87-M91 WeakPolarHBondContact O-CB 3.44Å; I87-M91 VanDerWaalsContact O-CG 3.24Å; I87-M91 WeakPolarHBondContact O-CG 3.48Å; I87-M91 PolarHBondContact O-N 3.37Å; I87-M91 VanDerWaalsContact O-N 3.08Å |
| 88 | G | 58.7 | Low | 62.6 | Low | 37 Ų | 37 | 63.8 Ų | 63.8 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G86 M92 | G86-G88 PolarHBondContact O-N 2.86Å; G88-M92 PolarHBondContact O-N 2.89Å |
| 89 | S | 60 | Low | 62.9 | Low | 53 Ų | 53 | 62.6 Ų | 62.6 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.1 | -50.1 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 113.3 | G86 I87 G93 | G86-S89 PolarHBondContact O-N 3.4Å; I87-S89 VanDerWaalsContact C-N 3.29Å; I87-S89 PolarHBondContact O-N 3.06Å; S89-G93 PolarHBondContact O-N 3.44Å; S89-G93 VanDerWaalsContact O-N 3.14Å |
| 90 | P | 58.6 | Low | 63.3 | Low | 18 Ų | 18 | 61 Ų | 61 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 172.4 | 11 | -19.3 | 0 | 0 | 0 | 114.1 | V41 G86 I87 G93 L94 K142 | V41-P90 HydrophobicContact CG1-CB 4.49Å; G86-P90 WeakPolarHBondContact O-CD 3.42Å; I87-P90 WeakPolarHBondContact O-CD 3.42Å; I87-P90 VanDerWaalsContact O-CG 3.23Å; I87-P90 WeakPolarHBondContact O-CG 3.48Å; P90-G93 PolarHBondContact O-N 2.66Å; P90-L94 WeakPolarHBondContact O-CB 3.18Å; P90-L94 PolarHBondContact O-N 3.28Å; P90-K142 HydrophobicContact CB-CD 4.43Å; P90-K142 VanDerWaalsContact CB-NZ 3.34Å; P90-K142 HydrophobicContact CG-CD 4.42Å |
| 91 | M | 61.1 | Low | 63.8 | Low | 43 Ų | 43 | 56 Ų | 56 | 21% | 0.212 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -48.1 | -179.2 | -73.2 | -101.3 | 57.3 | 0 | 0 | 112.3 | A38 V41 I87 G93 L94 T95 | A38-M91 VanDerWaalsContact CA-CE 3.5Å; A38-M91 HydrophobicContact CB-CE 3.59Å; A38-M91 HydrophobicContact CB-SD 4.3Å; V41-M91 HydrophobicContact CG1-CG 4.41Å; I87-M91 HydrophobicContact CG1-CG 4Å; I87-M91 WeakPolarHBondContact O-CB 3.44Å; I87-M91 VanDerWaalsContact O-CG 3.24Å; I87-M91 WeakPolarHBondContact O-CG 3.48Å; I87-M91 PolarHBondContact O-N 3.37Å; I87-M91 VanDerWaalsContact O-N 3.08Å; M91-G93 VanDerWaalsContact C-N 3.33Å; M91-G93 PolarHBondContact O-N 3.05Å; M91-L94 HydrophobicContact CE-CD2 4.49Å; M91-L94 PolarHBondContact O-N 3.37Å; M91-T95 PolarHBondContact O-N 3.06Å; M91-T95 PolarHBondContact O-OG1 2.87Å |
| 92 | M | 61.5 | Low | 64.2 | Low | 143 Ų | 143 | 51.3 Ų | 51.3 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | 174.8 | -80.8 | -167.3 | -75 | 0 | 0 | 112.2 | G88 L94 F96 | G88-M92 PolarHBondContact O-N 2.89Å; M92-L94 PolarHBondContact O-N 2.58Å; M92-F96 WeakPolarHBondContact O-CB 3.43Å; M92-F96 PolarHBondContact O-N 2.92Å |
| 93 | G | 66.1 | Low | 64.8 | Low | 11 Ų | 11 | 53.3 Ų | 53.3 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S89 P90 M91 F96 I97 | S89-G93 PolarHBondContact O-N 3.44Å; S89-G93 VanDerWaalsContact O-N 3.14Å; P90-G93 PolarHBondContact O-N 2.66Å; M91-G93 VanDerWaalsContact C-N 3.33Å; M91-G93 PolarHBondContact O-N 3.05Å; G93-F96 PolarHBondContact O-N 3.26Å; G93-I97 VanDerWaalsContact O-CB 3.27Å; G93-I97 WeakPolarHBondContact O-CB 3.11Å; G93-I97 VanDerWaalsContact O-CD1 3.29Å; G93-I97 WeakPolarHBondContact O-CD1 3.43Å; G93-I97 WeakPolarHBondContact O-CG1 3.45Å; G93-I97 PolarHBondContact O-N 2.85Å |
| 94 | L | 61.6 | Low | 65.4 | Low | 44 Ų | 44 | 54.6 Ų | 54.6 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63 | -47 | -178.1 | -173.8 | 63.9 | 0 | 0 | 0 | 112.4 | V41 P90 M91 M92 N98 | V41-L94 HydrophobicContact CG2-CD2 4.22Å; P90-L94 WeakPolarHBondContact O-CB 3.18Å; P90-L94 PolarHBondContact O-N 3.28Å; M91-L94 HydrophobicContact CE-CD2 4.49Å; M91-L94 PolarHBondContact O-N 3.37Å; M92-L94 PolarHBondContact O-N 2.58Å; L94-N98 WeakPolarHBondContact O-CB 3.43Å; L94-N98 VanDerWaalsContact O-CG 3.25Å; L94-N98 PolarHBondContact O-N 2.95Å; L94-N98 PolarHBondContact O-ND2 3.16Å |
| 95 | T | 63.7 | Low | 66 | Low | 65 Ų | 65 | 52 Ų | 52 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 178.5 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | L34 M91 N98 A99 | L34-T95 HydrophobicContact CD1-CG2 4.07Å; L34-T95 WeakPolarHBondContact CD1-OG1 3.39Å; L34-T95 HydrophobicContact CD2-CG2 4.31Å; M91-T95 PolarHBondContact O-N 3.06Å; M91-T95 PolarHBondContact O-OG1 2.87Å; T95-N98 PolarHBondContact O-N 3.37Å; T95-A99 WeakPolarHBondContact O-CB 3.5Å; T95-A99 PolarHBondContact O-N 3.42Å |
| 96 | F | 71.1 | Confident | 66.5 | Low | 127 Ų | 127 | 46.1 Ų | 46.1 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.7 | -43.2 | -177.9 | -170.2 | -107.5 | 0 | 0 | 0 | 112.2 | M92 G93 A99 I100 | M92-F96 WeakPolarHBondContact O-CB 3.43Å; M92-F96 PolarHBondContact O-N 2.92Å; G93-F96 PolarHBondContact O-N 3.26Å; F96-A99 PolarHBondContact O-N 3.47Å; F96-I100 HydrophobicContact CD1-CD1 3.67Å; F96-I100 HydrophobicContact CE1-CD1 3.32Å; F96-I100 HydrophobicContact CE1-CG1 4.5Å; F96-I100 HydrophobicContact CE2-CD1 4.41Å; F96-I100 HydrophobicContact CG-CD1 4.37Å; F96-I100 HydrophobicContact CZ-CD1 3.73Å; F96-I100 WeakPolarHBondContact O-CG1 3.48Å; F96-I100 PolarHBondContact O-N 3.28Å; F96-I100 VanDerWaalsContact O-N 3.1Å |
| 97 | I | 70.3 | Confident | 67.3 | Low | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 176.4 | -73.2 | 162.3 | 0 | 0 | 0 | 110.7 | G93 A99 I100 V101 Q131 C135 M138 | G93-I97 VanDerWaalsContact O-CB 3.27Å; G93-I97 WeakPolarHBondContact O-CB 3.11Å; G93-I97 VanDerWaalsContact O-CD1 3.29Å; G93-I97 WeakPolarHBondContact O-CD1 3.43Å; G93-I97 WeakPolarHBondContact O-CG1 3.45Å; G93-I97 PolarHBondContact O-N 2.85Å; I97-A99 VanDerWaalsContact C-N 3.34Å; I97-A99 PolarHBondContact O-N 2.92Å; I97-I100 PolarHBondContact O-N 2.95Å; I97-V101 HydrophobicContact CG2-CG2 4.38Å; I97-V101 WeakPolarHBondContact O-CG2 3.26Å; I97-V101 PolarHBondContact O-N 3.33Å; I97-Q131 HydrophobicContact CG2-CG 3.71Å; I97-C135 HydrophobicContact CD1-CB 4.03Å; I97-C135 VanDerWaalsContact CD1-SG 3.58Å; I97-M138 HydrophobicContact CD1-CE 3.18Å; I97-M138 HydrophobicContact CG1-CE 3.57Å |
| 98 | N | 66.9 | Low | 67.6 | Low | 33 Ų | 33 | 47.5 Ų | 47.5 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | -178.5 | -72.5 | -15.9 | 0 | 0 | 0 | 111.1 | L94 T95 I100 V101 F102 | L94-N98 WeakPolarHBondContact O-CB 3.43Å; L94-N98 VanDerWaalsContact O-CG 3.25Å; L94-N98 PolarHBondContact O-N 2.95Å; L94-N98 PolarHBondContact O-ND2 3.16Å; T95-N98 PolarHBondContact O-N 3.37Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.24Å; N98-V101 PolarHBondContact O-N 3.46Å; N98-F102 HydrophobicContact CB-CD2 4.5Å; N98-F102 HydrophobicContact CB-CE2 4.33Å; N98-F102 WeakPolarHBondContact O-CD2 3.24Å; N98-F102 PolarHBondContact O-N 3.43Å |
| 99 | A | 68.6 | Low | 68.1 | Low | 52 Ų | 52 | 47.8 Ų | 47.8 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T95 F96 I97 G103 | T95-A99 WeakPolarHBondContact O-CB 3.5Å; T95-A99 PolarHBondContact O-N 3.42Å; F96-A99 PolarHBondContact O-N 3.47Å; I97-A99 VanDerWaalsContact C-N 3.34Å; I97-A99 PolarHBondContact O-N 2.92Å; A99-G103 PolarHBondContact O-N 3.32Å |
| 100 | I | 75.2 | Confident | 68.8 | Low | 40 Ų | 40 | 54.8 Ų | 54.8 | 21% | 0.205 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.5 | -69 | 169.9 | 0 | 0 | 0 | 111.3 | F96 I97 N98 F102 G103 V104 I130 I134 | F96-I100 HydrophobicContact CD1-CD1 3.67Å; F96-I100 HydrophobicContact CE1-CD1 3.32Å; F96-I100 HydrophobicContact CE1-CG1 4.5Å; F96-I100 HydrophobicContact CE2-CD1 4.41Å; F96-I100 HydrophobicContact CG-CD1 4.37Å; F96-I100 HydrophobicContact CZ-CD1 3.73Å; F96-I100 WeakPolarHBondContact O-CG1 3.48Å; F96-I100 PolarHBondContact O-N 3.28Å; F96-I100 VanDerWaalsContact O-N 3.1Å; I97-I100 PolarHBondContact O-N 2.95Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.24Å; I100-F102 PolarHBondContact O-N 3.34Å; I100-G103 PolarHBondContact O-N 2.95Å; I100-V104 HydrophobicContact CG2-CG2 4.16Å; I100-V104 WeakPolarHBondContact O-CB 3.38Å; I100-V104 VanDerWaalsContact O-CG2 3.25Å; I100-V104 WeakPolarHBondContact O-CG2 3.08Å; I100-V104 PolarHBondContact O-N 3.47Å; I100-I130 HydrophobicContact CG2-CG2 3.82Å; I100-I134 HydrophobicContact CD1-CD1 3.66Å; I100-I134 HydrophobicContact CG2-CD1 4.11Å |
| 101 | V | 70.7 | Confident | 69.7 | Low | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.1 | -50.4 | 177.9 | 167.9 | 0 | 0 | 0 | 0 | 110.9 | I97 N98 G103 V104 Q105 A127 Q131 | I97-V101 HydrophobicContact CG2-CG2 4.38Å; I97-V101 WeakPolarHBondContact O-CG2 3.26Å; I97-V101 PolarHBondContact O-N 3.33Å; N98-V101 PolarHBondContact O-N 3.46Å; V101-G103 PolarHBondContact O-N 2.88Å; V101-V104 PolarHBondContact O-N 2.96Å; V101-Q105 VanDerWaalsContact O-CB 3.25Å; V101-Q105 WeakPolarHBondContact O-CB 3.29Å; V101-Q105 PolarHBondContact O-N 3.28Å; V101-A127 HydrophobicContact CG1-CB 4.23Å; V101-Q131 HydrophobicContact CG2-CB 3.65Å; V101-Q131 HydrophobicContact CG2-CG 3.94Å |
| 102 | F | 68.6 | Low | 70.4 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 18% | 0.18 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 179.3 | -71.4 | -61.7 | 0 | 0 | 0 | 112.4 | Q30 D33 N98 I100 G106 | Q30-F102 HydrophobicContact CG-CD2 3.82Å; Q30-F102 HydrophobicContact CG-CE2 3.87Å; D33-F102 WeakPolarHBondContact OD2-CZ 3.21Å; N98-F102 HydrophobicContact CB-CD2 4.5Å; N98-F102 HydrophobicContact CB-CE2 4.33Å; N98-F102 WeakPolarHBondContact O-CD2 3.24Å; N98-F102 PolarHBondContact O-N 3.43Å; I100-F102 PolarHBondContact O-N 3.34Å; F102-G106 PolarHBondContact O-N 3.12Å |
| 103 | G | 72.8 | Confident | 70.4 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 49% | 0.485 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A99 I100 V101 N107 | A99-G103 PolarHBondContact O-N 3.32Å; I100-G103 PolarHBondContact O-N 2.95Å; V101-G103 PolarHBondContact O-N 2.88Å; G103-N107 VanDerWaalsContact O-CB 3.29Å; G103-N107 WeakPolarHBondContact O-CB 3.39Å; G103-N107 PolarHBondContact O-N 3.06Å; G103-N107 VanDerWaalsContact O-N 3.07Å |
| 104 | V | 72.6 | Confident | 70.4 | Confident | 32 Ų | 32 | 68 Ų | 68 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69 | -47.2 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 111 | I100 V101 N107 A108 A127 I130 | I100-V104 HydrophobicContact CG2-CG2 4.16Å; I100-V104 WeakPolarHBondContact O-CB 3.38Å; I100-V104 VanDerWaalsContact O-CG2 3.25Å; I100-V104 WeakPolarHBondContact O-CG2 3.08Å; I100-V104 PolarHBondContact O-N 3.47Å; V101-V104 PolarHBondContact O-N 2.96Å; V104-N107 PolarHBondContact O-N 3.1Å; V104-A108 WeakPolarHBondContact O-CB 3.32Å; V104-A108 PolarHBondContact O-N 3.4Å; V104-A127 HydrophobicContact CB-CB 4.16Å; V104-A127 HydrophobicContact CG1-CB 3.94Å; V104-I130 HydrophobicContact CB-CD1 4.41Å; V104-I130 HydrophobicContact CG1-CD1 3.67Å; V104-I130 HydrophobicContact CG2-CB 4.47Å; V104-I130 HydrophobicContact CG2-CD1 3.79Å; V104-I130 HydrophobicContact CG2-CG2 4.16Å |
| 105 | Q | 74 | Confident | 70.6 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 19% | 0.187 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 179.6 | -175.7 | 176.6 | -11.8 | 0 | 0 | 111.1 | V101 N107 A108 M109 A127 | V101-Q105 VanDerWaalsContact O-CB 3.25Å; V101-Q105 WeakPolarHBondContact O-CB 3.29Å; V101-Q105 PolarHBondContact O-N 3.28Å; Q105-N107 PolarHBondContact O-N 3.44Å; Q105-A108 PolarHBondContact O-N 2.99Å; Q105-M109 HydrophobicContact CG-SD 4.31Å; Q105-M109 WeakPolarHBondContact O-CB 3.16Å; Q105-M109 WeakPolarHBondContact O-CG 3.11Å; Q105-M109 PolarHBondContact O-N 2.78Å; Q105-A127 HydrophobicContact CB-CB 4.02Å |
| 106 | G | 70.6 | Confident | 71.1 | Confident | 40 Ų | 40 | 69 Ų | 69 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F102 R110 | F102-G106 PolarHBondContact O-N 3.12Å; G106-R110 WeakPolarHBondContact O-CB 3.45Å; G106-R110 PolarHBondContact O-N 3.24Å |
| 107 | N | 75.5 | Confident | 70.8 | Confident | 91 Ų | 91 | 68 Ų | 68 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.9 | -34.3 | 177.7 | -159.4 | 42 | 0 | 0 | 0 | 112.4 | G103 V104 Q105 K111 | G103-N107 VanDerWaalsContact O-CB 3.29Å; G103-N107 WeakPolarHBondContact O-CB 3.39Å; G103-N107 PolarHBondContact O-N 3.06Å; G103-N107 VanDerWaalsContact O-N 3.07Å; V104-N107 PolarHBondContact O-N 3.1Å; Q105-N107 PolarHBondContact O-N 3.44Å; N107-K111 WeakPolarHBondContact O-CG 3.31Å; N107-K111 PolarHBondContact O-N 2.67Å; N107-K111 VanDerWaalsContact O-N 3.12Å |
| 108 | A | 72.3 | Confident | 70.8 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 15% | 0.149 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | V104 Q105 R110 K111 L112 A123 | V104-A108 WeakPolarHBondContact O-CB 3.32Å; V104-A108 PolarHBondContact O-N 3.4Å; Q105-A108 PolarHBondContact O-N 2.99Å; A108-R110 VanDerWaalsContact C-N 3.33Å; A108-R110 PolarHBondContact O-N 2.96Å; A108-K111 PolarHBondContact O-N 3.47Å; A108-L112 WeakPolarHBondContact O-CD1 3.3Å; A108-L112 PolarHBondContact O-N 3.31Å; A108-A123 HydrophobicContact CB-CB 3.72Å |
| 109 | M | 69.5 | Low | 71 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.4 | -72.6 | -173.7 | 66.4 | 0 | 0 | 112 | Q105 K111 L112 G113 Q120 A123 | Q105-M109 HydrophobicContact CG-SD 4.31Å; Q105-M109 WeakPolarHBondContact O-CB 3.16Å; Q105-M109 WeakPolarHBondContact O-CG 3.11Å; Q105-M109 PolarHBondContact O-N 2.78Å; M109-K111 VanDerWaalsContact C-N 3.29Å; M109-K111 PolarHBondContact O-N 2.88Å; M109-L112 PolarHBondContact O-N 3.17Å; M109-G113 PolarHBondContact O-N 3.24Å; M109-G113 VanDerWaalsContact O-N 3.14Å; M109-Q120 HydrophobicContact CE-CG 4.26Å; M109-A123 HydrophobicContact CG-CB 3.74Å |
| 110 | R | 74.3 | Confident | 70.9 | Confident | 199 Ų | 199 | 73.3 Ų | 73.3 | 75% | 0.751 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.7 | -32.7 | 176.6 | -174 | 175.5 | -81.7 | 172.4 | -6.6 | 113.1 | G106 A108 | G106-R110 WeakPolarHBondContact O-CB 3.45Å; G106-R110 PolarHBondContact O-N 3.24Å; A108-R110 VanDerWaalsContact C-N 3.33Å; A108-R110 PolarHBondContact O-N 2.96Å |
| 111 | K | 76.8 | Confident | 70.7 | Confident | 168 Ų | 168 | 78.4 Ų | 78.4 | 73% | 0.73 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -78.3 | -31.1 | 175.5 | -76.9 | -173.3 | 177.2 | -170.7 | 0 | 113.5 | N107 A108 M109 | N107-K111 WeakPolarHBondContact O-CG 3.31Å; N107-K111 PolarHBondContact O-N 2.67Å; N107-K111 VanDerWaalsContact O-N 3.12Å; A108-K111 PolarHBondContact O-N 3.47Å; M109-K111 VanDerWaalsContact C-N 3.29Å; M109-K111 PolarHBondContact O-N 2.88Å |
| 112 | L | 75 | Confident | 70.7 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 36% | 0.356 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -82.1 | -19.3 | -177.5 | -88.3 | 71.3 | 0 | 0 | 0 | 112.6 | A108 M109 R114 N119 L122 | A108-L112 WeakPolarHBondContact O-CD1 3.3Å; A108-L112 PolarHBondContact O-N 3.31Å; M109-L112 PolarHBondContact O-N 3.17Å; L112-R114 PolarHBondContact O-N 2.93Å; L112-N119 HydrophobicContact CB-CB 4.23Å; L112-N119 HydrophobicContact CD2-CB 3.64Å; L112-L122 HydrophobicContact CD2-CB 4.31Å; L112-L122 HydrophobicContact CD2-CD1 4.48Å |
| 113 | G | 62.6 | Low | 70.8 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 68% | 0.68 | 43% | 0.43 | S | S | * | . | trans | 62 | -2.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | M109 | M109-G113 PolarHBondContact O-N 3.24Å; M109-G113 VanDerWaalsContact O-N 3.14Å | ||
| 114 | R | 66.6 | Low | 70.5 | Confident | 192 Ų | 192 | 79.8 Ų | 79.8 | 73% | 0.725 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -136.4 | 128.5 | -179.8 | -94.3 | -175.4 | 160.1 | 106.8 | -2.4 | 109.7 | L112 T116 N119 | L112-R114 PolarHBondContact O-N 2.93Å; R114-T116 VanDerWaalsContact C-N 3.27Å; R114-T116 PolarHBondContact O-N 2.97Å; R114-N119 WeakPolarHBondContact O-CB 3.27Å; R114-N119 PolarHBondContact O-ND2 3.44Å |
| 115 | D | 65.5 | Low | 70.4 | Confident | 75 Ų | 75 | 80.2 Ų | 80.2 | 40% | 0.401 | 43% | 0.427 | S | S | . | . | trans | -89.5 | 68.9 | -179.8 | -59.7 | -62.8 | 0 | 0 | 0 | 111.7 | S19 | S19-D115 VanDerWaalsContact CB-CB 3.41Å; S19-D115 WeakPolarHBondContact CB-OD2 3.34Å; S19-D115 PolarHBondContact OG-OD1 2.88Å; S19-D115 PolarHBondContact OG-OD2 2.84Å | ||
| 116 | T | 72.8 | Confident | 70.4 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 33% | 0.325 | 44% | 0.435 | S | S | . | . | trans | -93.8 | 150.3 | 168.7 | 59.6 | 0 | 0 | 0 | 0 | 109.6 | R114 L118 N119 Q120 | R114-T116 VanDerWaalsContact C-N 3.27Å; R114-T116 PolarHBondContact O-N 2.97Å; T116-L118 PolarHBondContact O-N 3.41Å; T116-N119 PolarHBondContact O-N 3.43Å; T116-N119 WeakPolarHBondContact OG1-CB 3.23Å; T116-N119 PolarHBondContact OG1-N 3.34Å; T116-N119 PolarHBondContact OG1-ND2 2.85Å; T116-N119 VanDerWaalsContact OG1-ND2 3.12Å; T116-N119 PolarHBondContact OG1-OD1 2.85Å; T116-Q120 PolarHBondContact O-N 3.26Å | ||
| 117 | P | 65.6 | Low | 70.4 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 69% | 0.688 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.5 | -31 | 176.4 | 21.8 | -33 | 0 | 0 | 0 | 112.2 | F121 | P117-F121 WeakPolarHBondContact O-CB 3.28Å; P117-F121 PolarHBondContact O-N 3.04Å |
| 118 | L | 70.9 | Confident | 69.9 | Low | 124 Ų | 124 | 74.5 Ų | 74.5 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.2 | -42.3 | 173.6 | -76.3 | 174.2 | 0 | 0 | 0 | 112.8 | T116 Q120 F121 L122 | T116-L118 PolarHBondContact O-N 3.41Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.4Å; L118-F121 WeakPolarHBondContact O-CB 3.03Å; L118-F121 PolarHBondContact O-N 3.04Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.19Å; L118-L122 PolarHBondContact O-N 3.49Å |
| 119 | N | 70.2 | Confident | 70 | Confident | 35 Ų | 35 | 78 Ų | 78 | 19% | 0.187 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 178.2 | -71 | -9.6 | 0 | 0 | 0 | 111.8 | L112 R114 T116 L122 A123 | L112-N119 HydrophobicContact CB-CB 4.23Å; L112-N119 HydrophobicContact CD2-CB 3.64Å; R114-N119 WeakPolarHBondContact O-CB 3.27Å; R114-N119 PolarHBondContact O-ND2 3.44Å; T116-N119 PolarHBondContact O-N 3.43Å; T116-N119 WeakPolarHBondContact OG1-CB 3.23Å; T116-N119 PolarHBondContact OG1-N 3.34Å; T116-N119 PolarHBondContact OG1-ND2 2.85Å; T116-N119 VanDerWaalsContact OG1-ND2 3.12Å; T116-N119 PolarHBondContact OG1-OD1 2.85Å; N119-L122 PolarHBondContact O-N 2.97Å; N119-A123 VanDerWaalsContact O-CB 3.27Å; N119-A123 WeakPolarHBondContact O-CB 3.47Å; N119-A123 PolarHBondContact O-N 2.92Å |
| 120 | Q | 67.4 | Low | 70.3 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 24% | 0.243 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 172.2 | -70.6 | 174.7 | -11.1 | 0 | 0 | 111.6 | M109 T116 L118 A123 G124 | M109-Q120 HydrophobicContact CE-CG 4.26Å; T116-Q120 PolarHBondContact O-N 3.26Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.4Å; Q120-A123 PolarHBondContact O-N 3.45Å; Q120-G124 PolarHBondContact O-N 3.02Å |
| 121 | F | 69.5 | Low | 70.4 | Confident | 148 Ų | 148 | 71.2 Ų | 71.2 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 173.6 | -178.8 | -94.7 | 0 | 0 | 0 | 111.9 | P117 L118 G124 A125 | P117-F121 WeakPolarHBondContact O-CB 3.28Å; P117-F121 PolarHBondContact O-N 3.04Å; L118-F121 WeakPolarHBondContact O-CB 3.03Å; L118-F121 PolarHBondContact O-N 3.04Å; F121-G124 PolarHBondContact O-N 2.91Å; F121-A125 VanDerWaalsContact O-CB 3.22Å; F121-A125 WeakPolarHBondContact O-CB 3.2Å; F121-A125 PolarHBondContact O-N 3.38Å |
| 122 | L | 72.4 | Confident | 69.9 | Low | 97 Ų | 97 | 65.1 Ų | 65.1 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 178.3 | -72.7 | 171.1 | 0 | 0 | 0 | 112.2 | L112 L118 N119 G124 A125 A126 | L112-L122 HydrophobicContact CD2-CB 4.31Å; L112-L122 HydrophobicContact CD2-CD1 4.48Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 VanDerWaalsContact O-CG 3.31Å; L118-L122 WeakPolarHBondContact O-CG 3.19Å; L118-L122 PolarHBondContact O-N 3.49Å; N119-L122 PolarHBondContact O-N 2.97Å; L122-G124 VanDerWaalsContact C-N 3.34Å; L122-A125 PolarHBondContact O-N 3.26Å; L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.05Å |
| 123 | A | 70.4 | Confident | 69.9 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A108 M109 N119 Q120 A127 | A108-A123 HydrophobicContact CB-CB 3.72Å; M109-A123 HydrophobicContact CG-CB 3.74Å; N119-A123 VanDerWaalsContact O-CB 3.27Å; N119-A123 WeakPolarHBondContact O-CB 3.47Å; N119-A123 PolarHBondContact O-N 2.92Å; Q120-A123 PolarHBondContact O-N 3.45Å; A123-A127 WeakPolarHBondContact O-CB 3.16Å; A123-A127 PolarHBondContact O-N 2.7Å |
| 124 | G | 66.6 | Low | 70.5 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q120 F121 L122 A127 G128 | Q120-G124 PolarHBondContact O-N 3.02Å; F121-G124 PolarHBondContact O-N 2.91Å; L122-G124 VanDerWaalsContact C-N 3.34Å; G124-A127 PolarHBondContact O-N 3.47Å; G124-G128 PolarHBondContact O-N 2.96Å |
| 125 | A | 69.5 | Low | 70.7 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 35% | 0.347 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F121 L122 G128 T129 | F121-A125 VanDerWaalsContact O-CB 3.22Å; F121-A125 WeakPolarHBondContact O-CB 3.2Å; F121-A125 PolarHBondContact O-N 3.38Å; L122-A125 PolarHBondContact O-N 3.26Å; A125-G128 PolarHBondContact O-N 3.23Å; A125-T129 WeakPolarHBondContact O-CB 3.32Å; A125-T129 PolarHBondContact O-N 3.45Å; A125-T129 PolarHBondContact O-OG1 3.4Å |
| 126 | A | 73.8 | Confident | 71 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L122 T129 I130 | L122-A126 WeakPolarHBondContact O-CB 3.31Å; L122-A126 PolarHBondContact O-N 3.05Å; A126-T129 PolarHBondContact O-N 3.31Å; A126-I130 PolarHBondContact O-N 3.03Å; A126-I130 VanDerWaalsContact O-N 3.11Å |
| 127 | A | 70.4 | Confident | 70.9 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.017 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V101 V104 Q105 A123 G124 T129 I130 Q131 | V101-A127 HydrophobicContact CG1-CB 4.23Å; V104-A127 HydrophobicContact CB-CB 4.16Å; V104-A127 HydrophobicContact CG1-CB 3.94Å; Q105-A127 HydrophobicContact CB-CB 4.02Å; A123-A127 WeakPolarHBondContact O-CB 3.16Å; A123-A127 PolarHBondContact O-N 2.7Å; G124-A127 PolarHBondContact O-N 3.47Å; A127-T129 PolarHBondContact O-N 3.2Å; A127-I130 PolarHBondContact O-N 3.48Å; A127-Q131 VanDerWaalsContact O-CB 3.3Å; A127-Q131 WeakPolarHBondContact O-CB 3.3Å; A127-Q131 PolarHBondContact O-N 3.12Å |
| 128 | G | 66.3 | Low | 71.2 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G124 A125 Q131 C132 | G124-G128 PolarHBondContact O-N 2.96Å; A125-G128 PolarHBondContact O-N 3.23Å; G128-Q131 WeakPolarHBondContact O-CB 3.4Å; G128-Q131 PolarHBondContact O-N 3.45Å; G128-C132 WeakPolarHBondContact O-CB 3.36Å; G128-C132 PolarHBondContact O-N 3.32Å; G128-C132 PolarHBondContact O-SG 2.95Å |
| 129 | T | 72.9 | Confident | 71.1 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 55% | 0.552 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.4 | -48 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | A125 A126 A127 Q131 C132 V133 | A125-T129 WeakPolarHBondContact O-CB 3.32Å; A125-T129 PolarHBondContact O-N 3.45Å; A125-T129 PolarHBondContact O-OG1 3.4Å; A126-T129 PolarHBondContact O-N 3.31Å; A127-T129 PolarHBondContact O-N 3.2Å; T129-Q131 VanDerWaalsContact C-N 3.32Å; T129-Q131 PolarHBondContact O-N 2.76Å; T129-C132 PolarHBondContact O-N 2.87Å; T129-V133 WeakPolarHBondContact O-CG2 3.33Å; T129-V133 PolarHBondContact O-N 3.48Å; T129-V133 VanDerWaalsContact O-N 3.12Å |
| 130 | I | 76.3 | Confident | 71.2 | Confident | 70 Ų | 70 | 47 Ų | 47 | 36% | 0.359 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.5 | -72.1 | 165.5 | 0 | 0 | 0 | 110.8 | I100 V104 A126 A127 C132 V133 I134 | I100-I130 HydrophobicContact CG2-CG2 3.82Å; V104-I130 HydrophobicContact CB-CD1 4.41Å; V104-I130 HydrophobicContact CG1-CD1 3.67Å; V104-I130 HydrophobicContact CG2-CB 4.47Å; V104-I130 HydrophobicContact CG2-CD1 3.79Å; V104-I130 HydrophobicContact CG2-CG2 4.16Å; A126-I130 PolarHBondContact O-N 3.03Å; A126-I130 VanDerWaalsContact O-N 3.11Å; A127-I130 PolarHBondContact O-N 3.48Å; I130-C132 PolarHBondContact O-N 3.03Å; I130-V133 PolarHBondContact O-N 2.96Å; I130-I134 HydrophobicContact CG2-CD1 4.19Å; I130-I134 WeakPolarHBondContact O-CG1 3.41Å; I130-I134 PolarHBondContact O-N 3.45Å |
| 131 | Q | 76.4 | Confident | 71.4 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 172.8 | 174.4 | 171.5 | 47.4 | 0 | 0 | 112 | I97 V101 A127 G128 T129 V133 I134 C135 | I97-Q131 HydrophobicContact CG2-CG 3.71Å; V101-Q131 HydrophobicContact CG2-CB 3.65Å; V101-Q131 HydrophobicContact CG2-CG 3.94Å; A127-Q131 VanDerWaalsContact O-CB 3.3Å; A127-Q131 WeakPolarHBondContact O-CB 3.3Å; A127-Q131 PolarHBondContact O-N 3.12Å; G128-Q131 WeakPolarHBondContact O-CB 3.4Å; G128-Q131 PolarHBondContact O-N 3.45Å; T129-Q131 VanDerWaalsContact C-N 3.32Å; T129-Q131 PolarHBondContact O-N 2.76Å; Q131-V133 VanDerWaalsContact C-N 3.35Å; Q131-V133 PolarHBondContact O-N 3.28Å; Q131-I134 PolarHBondContact O-N 2.9Å; Q131-C135 WeakPolarHBondContact O-CB 3.39Å; Q131-C135 PolarHBondContact O-N 3.46Å |
| 132 | C | 67.6 | Low | 71.5 | Confident | 41 Ų | 41 | 40.2 Ų | 40.2 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61 | -43.8 | -179.9 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | G128 T129 I130 I134 C135 C136 | G128-C132 WeakPolarHBondContact O-CB 3.36Å; G128-C132 PolarHBondContact O-N 3.32Å; G128-C132 PolarHBondContact O-SG 2.95Å; T129-C132 PolarHBondContact O-N 2.87Å; I130-C132 PolarHBondContact O-N 3.03Å; C132-I134 PolarHBondContact O-N 3.47Å; C132-C135 PolarHBondContact O-N 3.44Å; C132-C136 VanDerWaalsContact O-CB 3.24Å; C132-C136 WeakPolarHBondContact O-CB 3.46Å; C132-C136 PolarHBondContact O-N 2.9Å; C132-C136 PolarHBondContact O-SG 3.01Å |
| 133 | V | 74.9 | Confident | 71.2 | Confident | 96 Ų | 96 | 37 Ų | 37 | 58% | 0.582 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.3 | -34.3 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 112.1 | T129 I130 Q131 P137 | T129-V133 WeakPolarHBondContact O-CG2 3.33Å; T129-V133 PolarHBondContact O-N 3.48Å; T129-V133 VanDerWaalsContact O-N 3.12Å; I130-V133 PolarHBondContact O-N 2.96Å; Q131-V133 VanDerWaalsContact C-N 3.35Å; Q131-V133 PolarHBondContact O-N 3.28Å; V133-P137 WeakPolarHBondContact O-CD 3.48Å; V133-P137 WeakPolarHBondContact O-CG 3.47Å |
| 134 | I | 74.3 | Confident | 71.2 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -87.6 | -40.7 | -179.9 | -61.8 | 176.1 | 0 | 0 | 0 | 111.8 | I100 I130 Q131 C132 P137 M138 | I100-I134 HydrophobicContact CD1-CD1 3.66Å; I100-I134 HydrophobicContact CG2-CD1 4.11Å; I130-I134 HydrophobicContact CG2-CD1 4.19Å; I130-I134 WeakPolarHBondContact O-CG1 3.41Å; I130-I134 PolarHBondContact O-N 3.45Å; Q131-I134 PolarHBondContact O-N 2.9Å; C132-I134 PolarHBondContact O-N 3.47Å; I134-P137 WeakPolarHBondContact O-CD 3.25Å; I134-P137 VanDerWaalsContact O-CG 3.31Å; I134-P137 WeakPolarHBondContact O-CG 3.23Å; I134-M138 HydrophobicContact CG2-CE 4.39Å; I134-M138 WeakPolarHBondContact O-CG 3.43Å |
| 135 | C | 71.6 | Confident | 71.2 | Confident | 25 Ų | 25 | 38.4 Ų | 38.4 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.7 | -38.5 | -175.3 | -160.5 | 0 | 0 | 0 | 0 | 111.6 | I97 Q131 C132 M138 E139 | I97-C135 HydrophobicContact CD1-CB 4.03Å; I97-C135 VanDerWaalsContact CD1-SG 3.58Å; Q131-C135 WeakPolarHBondContact O-CB 3.39Å; Q131-C135 PolarHBondContact O-N 3.46Å; C132-C135 PolarHBondContact O-N 3.44Å; C135-M138 PolarHBondContact O-N 3.34Å; C135-E139 WeakPolarHBondContact O-CB 3.19Å; C135-E139 WeakPolarHBondContact O-CG 3.47Å; C135-E139 PolarHBondContact O-N 3.03Å; C135-E139 PolarHBondContact SG-OE1 3.15Å; C135-E139 VanDerWaalsContact SG-OE1 3.34Å |
| 136 | C | 70.8 | Confident | 70.7 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 10% | 0.101 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56 | -53.2 | -179 | -71.7 | 0 | 0 | 0 | 0 | 114.2 | C132 M138 E139 L140 M183 | C132-C136 VanDerWaalsContact O-CB 3.24Å; C132-C136 WeakPolarHBondContact O-CB 3.46Å; C132-C136 PolarHBondContact O-N 2.9Å; C132-C136 PolarHBondContact O-SG 3.01Å; C136-M138 VanDerWaalsContact C-N 3.29Å; C136-M138 PolarHBondContact O-N 3.48Å; C136-E139 PolarHBondContact O-N 3.4Å; C136-L140 WeakPolarHBondContact O-CB 3.22Å; C136-L140 PolarHBondContact O-N 3.46Å; C136-M183 HydrophobicContact CB-CG 4.49Å; C136-M183 HydrophobicContact CB-SD 4.38Å |
| 137 | P | 71.1 | Confident | 70.1 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -34.4 | 177.5 | 21.9 | -32 | 0 | 0 | 0 | 112.6 | V133 I134 A141 L167 I179 | V133-P137 WeakPolarHBondContact O-CD 3.48Å; V133-P137 WeakPolarHBondContact O-CG 3.47Å; I134-P137 WeakPolarHBondContact O-CD 3.25Å; I134-P137 VanDerWaalsContact O-CG 3.31Å; I134-P137 WeakPolarHBondContact O-CG 3.23Å; P137-A141 WeakPolarHBondContact O-CB 3.28Å; P137-A141 PolarHBondContact O-N 3.46Å; P137-L167 HydrophobicContact CB-CD1 3.68Å; P137-L167 HydrophobicContact CB-CD2 3.96Å; P137-L167 HydrophobicContact CB-CG 4.45Å; P137-L167 WeakPolarHBondContact O-CD1 3.35Å; P137-I179 HydrophobicContact CB-CG2 3.78Å |
| 138 | M | 72.1 | Confident | 69.4 | Low | 68 Ų | 68 | 40.1 Ų | 40.1 | 34% | 0.335 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.6 | -42.6 | 178.5 | -66.9 | -159.9 | -45.3 | 0 | 0 | 112.4 | I97 I134 C135 C136 L140 A141 K142 | I97-M138 HydrophobicContact CD1-CE 3.18Å; I97-M138 HydrophobicContact CG1-CE 3.57Å; I134-M138 HydrophobicContact CG2-CE 4.39Å; I134-M138 WeakPolarHBondContact O-CG 3.43Å; C135-M138 PolarHBondContact O-N 3.34Å; C136-M138 VanDerWaalsContact C-N 3.29Å; C136-M138 PolarHBondContact O-N 3.48Å; M138-L140 VanDerWaalsContact C-N 3.34Å; M138-A141 PolarHBondContact O-N 2.99Å; M138-K142 VanDerWaalsContact O-CB 3.28Å; M138-K142 WeakPolarHBondContact O-CB 3.49Å; M138-K142 PolarHBondContact O-N 2.93Å |
| 139 | E | 68.8 | Low | 68.7 | Low | 64 Ų | 64 | 42.8 Ų | 42.8 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 172.3 | -78 | -173.3 | -160.5 | 0 | 0 | 110.8 | C135 C136 K142 T143 K243 | C135-E139 WeakPolarHBondContact O-CB 3.19Å; C135-E139 WeakPolarHBondContact O-CG 3.47Å; C135-E139 PolarHBondContact O-N 3.03Å; C135-E139 PolarHBondContact SG-OE1 3.15Å; C135-E139 VanDerWaalsContact SG-OE1 3.34Å; C136-E139 PolarHBondContact O-N 3.4Å; E139-K142 PolarHBondContact O-N 3.37Å; E139-T143 VanDerWaalsContact O-CG2 3.31Å; E139-T143 WeakPolarHBondContact O-CG2 3.31Å; E139-T143 PolarHBondContact O-N 3.21Å; E139-T143 PolarHBondContact O-OG1 3.37Å; E139-T143 VanDerWaalsContact O-OG1 3.04Å; E139-K243 IonicContact OE2-NZ 3.48Å; E139-K243 PolarHBondContact OE2-NZ 3.01Å |
| 140 | L | 72.1 | Confident | 67.5 | Low | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 176.6 | -177.6 | 68 | 0 | 0 | 0 | 111.5 | C136 M138 K142 T143 R144 I170 Q247 | C136-L140 WeakPolarHBondContact O-CB 3.22Å; C136-L140 PolarHBondContact O-N 3.46Å; M138-L140 VanDerWaalsContact C-N 3.34Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 3.33Å; L140-T143 PolarHBondContact O-N 3.11Å; L140-T143 PolarHBondContact O-OG1 3.39Å; L140-R144 HydrophobicContact CD1-CG 4.38Å; L140-R144 HydrophobicContact CG-CG 4.47Å; L140-R144 WeakPolarHBondContact O-CB 3.39Å; L140-R144 WeakPolarHBondContact O-CG 3.42Å; L140-R144 PolarHBondContact O-N 2.7Å; L140-I170 HydrophobicContact CD2-CD1 4.21Å; L140-I170 HydrophobicContact CG-CD1 4.45Å; L140-Q247 HydrophobicContact CD1-CB 4.32Å; L140-Q247 HydrophobicContact CD1-CG 4.09Å |
| 141 | A | 71.8 | Confident | 65.8 | Low | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P137 M138 M145 L167 | P137-A141 WeakPolarHBondContact O-CB 3.28Å; P137-A141 PolarHBondContact O-N 3.46Å; M138-A141 PolarHBondContact O-N 2.99Å; A141-M145 WeakPolarHBondContact O-CB 3.22Å; A141-M145 WeakPolarHBondContact O-CG 3.49Å; A141-M145 PolarHBondContact O-N 2.95Å; A141-L167 HydrophobicContact CB-CD1 4.36Å |
| 142 | K | 71.3 | Confident | 63.9 | Low | 52 Ų | 52 | 45.4 Ų | 45.4 | 23% | 0.226 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -49.9 | 178.3 | -176.8 | -175.9 | 173.1 | -161.3 | 0 | 111.8 | P90 M138 E139 L140 R144 M145 Q146 | P90-K142 HydrophobicContact CB-CD 4.43Å; P90-K142 VanDerWaalsContact CB-NZ 3.34Å; P90-K142 HydrophobicContact CG-CD 4.42Å; M138-K142 VanDerWaalsContact O-CB 3.28Å; M138-K142 WeakPolarHBondContact O-CB 3.49Å; M138-K142 PolarHBondContact O-N 2.93Å; E139-K142 PolarHBondContact O-N 3.37Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-K142 PolarHBondContact O-N 3.33Å; K142-R144 PolarHBondContact O-N 3.23Å; K142-M145 PolarHBondContact O-N 2.86Å; K142-Q146 WeakPolarHBondContact O-CG 3.45Å; K142-Q146 PolarHBondContact O-N 3.43Å |
| 143 | T | 67.2 | Low | 62.5 | Low | 31 Ų | 31 | 52.4 Ų | 52.4 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 178.3 | 52.9 | 0 | 0 | 0 | 0 | 111 | E139 L140 M145 Q146 M147 | E139-T143 VanDerWaalsContact O-CG2 3.31Å; E139-T143 WeakPolarHBondContact O-CG2 3.31Å; E139-T143 PolarHBondContact O-N 3.21Å; E139-T143 PolarHBondContact O-OG1 3.37Å; E139-T143 VanDerWaalsContact O-OG1 3.04Å; L140-T143 PolarHBondContact O-N 3.11Å; L140-T143 PolarHBondContact O-OG1 3.39Å; T143-M145 PolarHBondContact O-N 3.26Å; T143-Q146 PolarHBondContact O-N 3.08Å; T143-M147 WeakPolarHBondContact O-CE 3.35Å; T143-M147 WeakPolarHBondContact O-CG 3.04Å; T143-M147 PolarHBondContact O-N 3.17Å |
| 144 | R | 68.9 | Low | 60.8 | Low | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 176.2 | -65.5 | -78.8 | -166.3 | -171.4 | 3.3 | 113.2 | L140 K142 M147 Q148 I170 Q247 A248 D249 V251 | L140-R144 HydrophobicContact CD1-CG 4.38Å; L140-R144 HydrophobicContact CG-CG 4.47Å; L140-R144 WeakPolarHBondContact O-CB 3.39Å; L140-R144 WeakPolarHBondContact O-CG 3.42Å; L140-R144 PolarHBondContact O-N 2.7Å; K142-R144 PolarHBondContact O-N 3.23Å; R144-M147 HydrophobicContact CG-CE 4.36Å; R144-M147 PolarHBondContact O-N 3.29Å; R144-Q148 PolarHBondContact O-N 2.81Å; R144-Q148 VanDerWaalsContact O-N 3.12Å; R144-I170 HydrophobicContact CG-CD1 4.29Å; R144-Q247 PolarHBondContact NE-O 3.49Å; R144-Q247 VanDerWaalsContact NE-O 3.11Å; R144-Q247 PolarHBondContact NH1-O 2.97Å; R144-Q247 PolarHBondContact NH2-O 3.27Å; R144-A248 PolarHBondContact NH1-O 3.46Å; R144-A248 VanDerWaalsContact NH1-O 3.12Å; R144-D249 VanDerWaalsContact NH1-C 3.26Å; R144-D249 PolarHBondContact NH1-O 3.24Å; R144-D249 PolarHBondContact NH2-O 3.1Å; R144-V251 VanDerWaalsContact NH1-CG2 3.35Å |
| 145 | M | 67.4 | Low | 59.2 | Low | 55 Ų | 55 | 60.3 Ų | 60.3 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 177.1 | -74.2 | -68.7 | -66.3 | 0 | 0 | 111.9 | A141 K142 T143 M147 Q148 Y160 C166 | A141-M145 WeakPolarHBondContact O-CB 3.22Å; A141-M145 WeakPolarHBondContact O-CG 3.49Å; A141-M145 PolarHBondContact O-N 2.95Å; K142-M145 PolarHBondContact O-N 2.86Å; T143-M145 PolarHBondContact O-N 3.26Å; M145-M147 VanDerWaalsContact C-N 3.35Å; M145-Q148 PolarHBondContact O-N 2.9Å; M145-Y160 VanDerWaalsContact SD-CB 3.57Å; M145-Y160 HydrophobicContact SD-CG 4.44Å; M145-C166 HydrophobicContact SD-CB 4.44Å |
| 146 | Q | 59.5 | Low | 57.9 | Low | 50 Ų | 50 | 69.5 Ų | 69.5 | 23% | 0.234 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.5 | -73 | -178.6 | -22.7 | 0 | 0 | 111.6 | V52 K142 T143 Q148 G149 T150 | V52-Q146 HydrophobicContact CG1-CB 4.16Å; K142-Q146 WeakPolarHBondContact O-CG 3.45Å; K142-Q146 PolarHBondContact O-N 3.43Å; T143-Q146 PolarHBondContact O-N 3.08Å; Q146-Q148 VanDerWaalsContact C-N 3.34Å; Q146-Q148 PolarHBondContact O-N 2.94Å; Q146-G149 PolarHBondContact O-N 3.32Å; Q146-T150 PolarHBondContact O-OG1 3.35Å |
| 147 | M | 60.5 | Low | 56.6 | Low | 20 Ų | 20 | 77.5 Ų | 77.5 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.4 | -32 | 176.7 | -72.2 | -172.9 | -72.6 | 0 | 0 | 113.7 | V56 T143 R144 M145 G149 T150 Q247 A248 V251 | V56-M147 HydrophobicContact CG1-CB 4.5Å; V56-M147 HydrophobicContact CG1-CG 4.27Å; V56-M147 HydrophobicContact CG2-CG 3.59Å; V56-M147 HydrophobicContact CG2-SD 3.98Å; T143-M147 WeakPolarHBondContact O-CE 3.35Å; T143-M147 WeakPolarHBondContact O-CG 3.04Å; T143-M147 PolarHBondContact O-N 3.17Å; R144-M147 HydrophobicContact CG-CE 4.36Å; R144-M147 PolarHBondContact O-N 3.29Å; M145-M147 VanDerWaalsContact C-N 3.35Å; M147-G149 PolarHBondContact O-N 3.09Å; M147-G149 VanDerWaalsContact O-N 3.15Å; M147-T150 PolarHBondContact O-N 3.11Å; M147-Q247 WeakPolarHBondContact CE-O 3.36Å; M147-A248 HydrophobicContact CE-CB 4.17Å; M147-A248 VanDerWaalsContact SD-CA 3.54Å; M147-A248 HydrophobicContact SD-CB 3.45Å; M147-A248 WeakPolarHBondContact SD-CB 3.02Å; M147-V251 HydrophobicContact CE-CG2 3.97Å; M147-V251 HydrophobicContact SD-CG2 4.45Å |
| 148 | Q | 55.7 | Low | 55.8 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 24% | 0.238 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.1 | 178.1 | -171.8 | -177.2 | -38.7 | 0 | 0 | 113.2 | R144 M145 Q146 M159 Y160 | R144-Q148 PolarHBondContact O-N 2.81Å; R144-Q148 VanDerWaalsContact O-N 3.12Å; M145-Q148 PolarHBondContact O-N 2.9Å; Q146-Q148 VanDerWaalsContact C-N 3.34Å; Q146-Q148 PolarHBondContact O-N 2.94Å; Q148-M159 HydrophobicContact CG-CB 4.28Å; Q148-Y160 VanDerWaalsContact CD-N 3.34Å; Q148-Y160 PolarHBondContact NE2-O 2.88Å; Q148-Y160 VanDerWaalsContact NE2-O 3.14Å; Q148-Y160 PolarHBondContact OE1-O 2.67Å |
| 149 | G | 52 | Low | 55.1 | Low | 64 Ų | 64 | 84.5 Ų | 84.5 | 66% | 0.66 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q146 M147 | Q146-G149 PolarHBondContact O-N 3.32Å; M147-G149 PolarHBondContact O-N 3.09Å; M147-G149 VanDerWaalsContact O-N 3.15Å |
| 150 | T | 48.3 | Very low | 54.7 | Low | 26 Ų | 26 | 82.4 Ų | 82.4 | 16% | 0.16 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -122.1 | 26 | -162.5 | -28.5 | 0 | 0 | 0 | 0 | 115.7 | R53 Q146 M147 | R53-T150 HydrophobicContact CB-CG2 3.9Å; R53-T150 HydrophobicContact CG-CG2 3.6Å; Q146-T150 PolarHBondContact O-OG1 3.35Å; M147-T150 PolarHBondContact O-N 3.11Å |
| 151 | G | 39.8 | Very low | 54.1 | Low | 60 Ų | 60 | 89.6 Ų | 89.6 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -148.8 | 115.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 152 | E | 36.2 | Very low | 53.9 | Low | 158 Ų | 158 | 94.6 Ų | 94.6 | 74% | 0.738 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 41.3 | 118.6 | 168.7 | -71.2 | -171.4 | 109.3 | 0 | 0 | 119.1 | ||
| 153 | K | 38 | Very low | 53.6 | Low | 188 Ų | 188 | 94.2 Ų | 94.2 | 82% | 0.817 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 43.7 | 103.8 | 156.8 | -65.6 | 179.4 | -179.6 | 175.6 | 0 | 114.4 | S155 | K153-S155 WeakPolarHBondContact O-CA 3.26Å; K153-S155 PolarHBondContact O-N 3.4Å |
| 154 | K | 40.9 | Very low | 53.8 | Low | 215 Ų | 215 | 99.1 Ų | 99.1 | 94% | 0.935 | 50% | 0.504 | S | S | * | . | trans | -3 | 74.1 | 155.1 | -80 | -177.8 | 175 | 175.4 | 0 | 112.4 | K156 | K154-K156 PolarHBondContact O-N 3.48Å; K154-K156 VanDerWaalsContact O-N 3.11Å | ||
| 155 | S | 39.8 | Very low | 54.1 | Low | 96 Ų | 96 | 101 Ų | 101 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | trans | -72.6 | 119.8 | 178.1 | -170.2 | 0 | 0 | 0 | 0 | 102.3 | K153 K157 | K153-S155 WeakPolarHBondContact O-CA 3.26Å; K153-S155 PolarHBondContact O-N 3.4Å; S155-K157 CarbonylContact O-C 3.4Å; S155-K157 PolarHBondContact O-N 2.95Å | ||
| 156 | K | 43.5 | Very low | 54.3 | Low | 218 Ų | 218 | 98.4 Ų | 98.4 | 95% | 0.948 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -56.5 | -6.7 | -170.4 | -76.3 | -179 | 175.1 | 179.9 | 0 | 113.1 | K154 | K154-K156 PolarHBondContact O-N 3.48Å; K154-K156 VanDerWaalsContact O-N 3.11Å |
| 157 | K | 44.1 | Very low | 54.9 | Low | 183 Ų | 183 | 98 Ų | 98 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -116.9 | 114.8 | 166.5 | -77.2 | 177.8 | 175.5 | 174.9 | 0 | 111.4 | S155 M159 | S155-K157 CarbonylContact O-C 3.4Å; S155-K157 PolarHBondContact O-N 2.95Å; K157-M159 PolarHBondContact O-N 3.27Å |
| 158 | K | 54.8 | Low | 55.8 | Low | 163 Ų | 163 | 100.4 Ų | 100.4 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | trans | -54.2 | 119.9 | 162.6 | -70.8 | -178.9 | 179.7 | 178.6 | 0 | 108.7 | Y160 | K158-Y160 VanDerWaalsContact C-N 3.33Å; K158-Y160 PolarHBondContact O-N 3.48Å | ||
| 159 | M | 56.6 | Low | 56.7 | Low | 73 Ų | 73 | 102.4 Ų | 102.4 | 36% | 0.36 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -59.7 | -41.8 | -179.8 | -172.3 | 148.9 | 66.1 | 0 | 0 | 111.7 | Q148 K157 R169 V251 | Q148-M159 HydrophobicContact CG-CB 4.28Å; K157-M159 PolarHBondContact O-N 3.27Å; M159-R169 VanDerWaalsContact O-CZ 3.31Å; M159-R169 PolarHBondContact O-NH1 3.45Å; M159-V251 HydrophobicContact CE-CG1 3.75Å |
| 160 | Y | 59.9 | Low | 57.8 | Low | 19 Ų | 19 | 99.6 Ų | 99.6 | 8% | 0.075 | 49% | 0.492 | C | S | . | . | trans | -118.4 | 135.6 | 168.4 | -51.8 | -67.3 | 0 | 0 | 0 | 109.8 | M145 Q148 K158 C166 R169 | M145-Y160 VanDerWaalsContact SD-CB 3.57Å; M145-Y160 HydrophobicContact SD-CG 4.44Å; Q148-Y160 VanDerWaalsContact CD-N 3.34Å; Q148-Y160 PolarHBondContact NE2-O 2.88Å; Q148-Y160 VanDerWaalsContact NE2-O 3.14Å; Q148-Y160 PolarHBondContact OE1-O 2.67Å; K158-Y160 VanDerWaalsContact C-N 3.33Å; K158-Y160 PolarHBondContact O-N 3.48Å; Y160-C166 VanDerWaalsContact CD1-CA 3.44Å; Y160-C166 HydrophobicContact CD1-CB 3.75Å; Y160-C166 HydrophobicContact CD2-CB 4.27Å; Y160-C166 HydrophobicContact CE1-CB 4.28Å; Y160-C166 HydrophobicContact CG-CB 3.75Å; Y160-R169 HydrophobicContact CE1-CB 4.27Å | ||
| 161 | K | 60.7 | Low | 59.2 | Low | 153 Ų | 153 | 104.7 Ų | 104.7 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -80.9 | -43 | 176.7 | -72.8 | -177.1 | 177.2 | -177.9 | 0 | 111.5 | D165 | K161-D165 PolarHBondContact N-OD2 2.75Š|
| 162 | N | 66.1 | Low | 61.1 | Low | 109 Ų | 109 | 111.8 Ų | 111.8 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -144.5 | 162.1 | -175.6 | -69.6 | -30.7 | 0 | 0 | 0 | 110.5 | L164 D165 C166 | N162-L164 PolarHBondContact O-N 3.37Å; N162-D165 HydrophobicContact CB-CB 4.5Å; N162-D165 WeakPolarHBondContact O-CB 3.16Å; N162-D165 PolarHBondContact O-N 3.43Å; N162-C166 PolarHBondContact O-N 2.88Å |
| 163 | S | 66.4 | Low | 62.9 | Low | 45 Ų | 45 | 111.7 Ų | 111.7 | 32% | 0.315 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.6 | -34.9 | 175.9 | -53.2 | 0 | 0 | 0 | 0 | 113 | C166 L167 | S163-C166 WeakPolarHBondContact O-CB 3.44Å; S163-C166 PolarHBondContact O-N 2.95Å; S163-L167 PolarHBondContact O-N 3.11Å |
| 164 | L | 70.4 | Confident | 64.4 | Low | 133 Ų | 133 | 105 Ų | 105 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.4 | -41.2 | 174.7 | -72.2 | 171.7 | 0 | 0 | 0 | 112.7 | N162 C166 L167 V168 | N162-L164 PolarHBondContact O-N 3.37Å; L164-C166 VanDerWaalsContact C-N 3.26Å; L164-C166 PolarHBondContact O-N 3.42Å; L164-L167 PolarHBondContact O-N 3.48Å; L164-V168 WeakPolarHBondContact O-CB 3.31Å; L164-V168 VanDerWaalsContact O-CG2 3.26Å; L164-V168 WeakPolarHBondContact O-CG2 3.47Å; L164-V168 PolarHBondContact O-N 3.45Å |
| 165 | D | 75.3 | Confident | 66.1 | Low | 42 Ų | 42 | 95.9 Ų | 95.9 | 23% | 0.225 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.5 | -34.9 | 175.1 | 176.5 | 47.6 | 0 | 0 | 0 | 110.8 | K161 N162 R169 | K161-D165 PolarHBondContact N-OD2 2.75Å; N162-D165 HydrophobicContact CB-CB 4.5Å; N162-D165 WeakPolarHBondContact O-CB 3.16Å; N162-D165 PolarHBondContact O-N 3.43Å; D165-R169 WeakPolarHBondContact O-CB 3.47Å; D165-R169 WeakPolarHBondContact O-CG 3.41Å; D165-R169 PolarHBondContact O-N 3.12Å; D165-R169 VanDerWaalsContact O-N 3.1Å; D165-R169 IonicContact OD1-CZ 3.76Å; D165-R169 IonicContact OD1-NE 3.38Å; D165-R169 PolarHBondContact OD1-NE 3.19Å; D165-R169 IonicContact OD1-NH2 3.97Å; D165-R169 PolarHBondContact OD1-NH2 3.26Å; D165-R169 IonicContact OD2-CZ 2.9Å; D165-R169 IonicContact OD2-NE 2.66Å; D165-R169 PolarHBondContact OD2-NE 3.46Å; D165-R169 IonicContact OD2-NH2 2.78Å; D165-R169 PolarHBondContact OD2-NH2 3.27Å |
| 166 | C | 71.6 | Confident | 67.6 | Low | 0 Ų | 0 | 98 Ų | 98 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60.6 | -52.3 | 170 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | M145 Y160 N162 S163 L164 V168 R169 I170 | M145-C166 HydrophobicContact SD-CB 4.44Å; Y160-C166 VanDerWaalsContact CD1-CA 3.44Å; Y160-C166 HydrophobicContact CD1-CB 3.75Å; Y160-C166 HydrophobicContact CD2-CB 4.27Å; Y160-C166 HydrophobicContact CE1-CB 4.28Å; Y160-C166 HydrophobicContact CG-CB 3.75Å; N162-C166 PolarHBondContact O-N 2.88Å; S163-C166 WeakPolarHBondContact O-CB 3.44Å; S163-C166 PolarHBondContact O-N 2.95Å; L164-C166 VanDerWaalsContact C-N 3.26Å; L164-C166 PolarHBondContact O-N 3.42Å; C166-V168 PolarHBondContact O-N 2.9Å; C166-R169 PolarHBondContact O-N 3.35Å; C166-I170 VanDerWaalsContact O-CG1 3.26Å; C166-I170 WeakPolarHBondContact O-CG1 3.36Å; C166-I170 PolarHBondContact O-N 3.25Å |
| 167 | L | 72.4 | Confident | 68.7 | Low | 41 Ų | 41 | 98.4 Ų | 98.4 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | -177.5 | -155.9 | 75.1 | 0 | 0 | 0 | 112.5 | P137 A141 S163 L164 R169 I170 Y171 | P137-L167 HydrophobicContact CB-CD1 3.68Å; P137-L167 HydrophobicContact CB-CD2 3.96Å; P137-L167 HydrophobicContact CB-CG 4.45Å; P137-L167 WeakPolarHBondContact O-CD1 3.35Å; A141-L167 HydrophobicContact CB-CD1 4.36Å; S163-L167 PolarHBondContact O-N 3.11Å; L164-L167 PolarHBondContact O-N 3.48Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.35Å; L167-I170 PolarHBondContact O-N 3.2Å; L167-Y171 WeakPolarHBondContact O-CB 3.39Å; L167-Y171 PolarHBondContact O-N 3Å |
| 168 | V | 78.5 | Confident | 69.9 | Low | 72 Ų | 72 | 89.7 Ų | 89.7 | 44% | 0.436 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.3 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L164 C166 Y171 R172 | L164-V168 WeakPolarHBondContact O-CB 3.31Å; L164-V168 VanDerWaalsContact O-CG2 3.26Å; L164-V168 WeakPolarHBondContact O-CG2 3.47Å; L164-V168 PolarHBondContact O-N 3.45Å; C166-V168 PolarHBondContact O-N 2.9Å; V168-Y171 PolarHBondContact O-N 3.43Å; V168-R172 WeakPolarHBondContact O-CG 3.49Å; V168-R172 PolarHBondContact O-N 2.82Å |
| 169 | R | 74.9 | Confident | 70.6 | Confident | 92 Ų | 92 | 83.1 Ų | 83.1 | 35% | 0.347 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | 176.9 | -72.5 | -178.6 | -163.1 | -169.1 | 16.6 | 112.7 | M159 Y160 D165 C166 L167 R172 K173 | M159-R169 VanDerWaalsContact O-CZ 3.31Å; M159-R169 PolarHBondContact O-NH1 3.45Å; Y160-R169 HydrophobicContact CE1-CB 4.27Å; D165-R169 WeakPolarHBondContact O-CB 3.47Å; D165-R169 WeakPolarHBondContact O-CG 3.41Å; D165-R169 PolarHBondContact O-N 3.12Å; D165-R169 VanDerWaalsContact O-N 3.1Å; D165-R169 IonicContact OD1-CZ 3.76Å; D165-R169 IonicContact OD1-NE 3.38Å; D165-R169 PolarHBondContact OD1-NE 3.19Å; D165-R169 IonicContact OD1-NH2 3.97Å; D165-R169 PolarHBondContact OD1-NH2 3.26Å; D165-R169 IonicContact OD2-CZ 2.9Å; D165-R169 IonicContact OD2-NE 2.66Å; D165-R169 PolarHBondContact OD2-NE 3.46Å; D165-R169 IonicContact OD2-NH2 2.78Å; D165-R169 PolarHBondContact OD2-NH2 3.27Å; C166-R169 PolarHBondContact O-N 3.35Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 3.35Å; R169-R172 PolarHBondContact O-N 3.45Å; R169-K173 WeakPolarHBondContact O-CB 3.28Å; R169-K173 WeakPolarHBondContact O-CG 3.19Å; R169-K173 PolarHBondContact O-N 3.2Å |
| 170 | I | 75.3 | Confident | 71.1 | Confident | 5 Ų | 5 | 81.8 Ų | 81.8 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 173 | -68.7 | 164.9 | 0 | 0 | 0 | 109.3 | L140 R144 C166 L167 R172 K173 E174 I179 | L140-I170 HydrophobicContact CD2-CD1 4.21Å; L140-I170 HydrophobicContact CG-CD1 4.45Å; R144-I170 HydrophobicContact CG-CD1 4.29Å; C166-I170 VanDerWaalsContact O-CG1 3.26Å; C166-I170 WeakPolarHBondContact O-CG1 3.36Å; C166-I170 PolarHBondContact O-N 3.25Å; L167-I170 PolarHBondContact O-N 3.2Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.46Å; I170-K173 PolarHBondContact O-N 2.86Å; I170-E174 PolarHBondContact O-N 2.89Å; I170-I179 HydrophobicContact CG2-CG1 4.27Å |
| 171 | Y | 79 | Confident | 71.3 | Confident | 133 Ų | 133 | 82.8 Ų | 82.8 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 177 | -173.2 | -111.1 | 0 | 0 | 0 | 112.3 | L167 V168 K173 G175 I179 | L167-Y171 WeakPolarHBondContact O-CB 3.39Å; L167-Y171 PolarHBondContact O-N 3Å; V168-Y171 PolarHBondContact O-N 3.43Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 PolarHBondContact O-N 2.78Å; Y171-G175 WeakPolarHBondContact O-CA 3.38Å; Y171-G175 PolarHBondContact O-N 3.02Å; Y171-I179 HydrophobicContact CD2-CD1 3.56Å; Y171-I179 HydrophobicContact CD2-CG1 4.44Å; Y171-I179 HydrophobicContact CG-CD1 4.18Å |
| 172 | R | 78.2 | Confident | 71.5 | Confident | 210 Ų | 210 | 75.8 Ų | 75.8 | 79% | 0.792 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -67.5 | -28.5 | 178.7 | -76 | -174.1 | 178.7 | -169.5 | 0 | 114.1 | V168 R169 I170 | V168-R172 WeakPolarHBondContact O-CG 3.49Å; V168-R172 PolarHBondContact O-N 2.82Å; R169-R172 PolarHBondContact O-N 3.45Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.46Å |
| 173 | K | 74.6 | Confident | 71.6 | Confident | 156 Ų | 156 | 73 Ų | 73 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -93.6 | -42.3 | -177 | -74.6 | -171.5 | 174.7 | -167.5 | 0 | 113.9 | R169 I170 Y171 | R169-K173 WeakPolarHBondContact O-CB 3.28Å; R169-K173 WeakPolarHBondContact O-CG 3.19Å; R169-K173 PolarHBondContact O-N 3.2Å; I170-K173 PolarHBondContact O-N 2.86Å; Y171-K173 VanDerWaalsContact C-N 3.33Å; Y171-K173 PolarHBondContact O-N 2.78Å |
| 174 | E | 69.8 | Low | 71.7 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -117.7 | -4.4 | -170.8 | -65.8 | -179.3 | -138.9 | 0 | 0 | 112.7 | I170 G178 R181 N255 | I170-E174 PolarHBondContact O-N 2.89Å; E174-G178 PolarHBondContact O-N 3.44Å; E174-R181 IonicContact OE1-NH1 2.7Å; E174-R181 IonicContact OE2-CZ 3.6Å; E174-R181 IonicContact OE2-NH1 3.84Å; E174-R181 PolarHBondContact OE2-NH1 3.47Å; E174-N255 PolarHBondContact OE1-OD1 3Å |
| 175 | G | 76.4 | Confident | 71.6 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 26% | 0.258 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | 64.9 | -158.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y171 R177 G178 I179 | Y171-G175 WeakPolarHBondContact O-CA 3.38Å; Y171-G175 PolarHBondContact O-N 3.02Å; G175-R177 VanDerWaalsContact C-N 3.3Å; G175-R177 PolarHBondContact O-N 3.2Å; G175-G178 PolarHBondContact O-N 3.42Å; G175-I179 PolarHBondContact O-N 3.06Å |
| 176 | F | 70.8 | Confident | 71.2 | Confident | 140 Ų | 140 | 67.8 Ų | 67.8 | 61% | 0.614 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.5 | -31.2 | -178.9 | -162.9 | -105.5 | 0 | 0 | 0 | 113 | G178 I179 N180 | F176-G178 VanDerWaalsContact C-N 3.31Å; F176-G178 PolarHBondContact O-N 2.95Å; F176-I179 PolarHBondContact O-N 2.96Å; F176-N180 WeakPolarHBondContact CD1-ND2 3.36Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.19Å; F176-N180 PolarHBondContact O-N 3.34Å |
| 177 | R | 67.9 | Low | 71.1 | Confident | 226 Ų | 226 | 71.7 Ų | 71.7 | 85% | 0.853 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.7 | -32.1 | 174.4 | -77.6 | 173.1 | 90.5 | 174 | 5.5 | 112.3 | G175 R181 | G175-R177 VanDerWaalsContact C-N 3.3Å; G175-R177 PolarHBondContact O-N 3.2Å; R177-R181 PolarHBondContact O-N 3.24Å; R177-R181 VanDerWaalsContact O-N 3.13Å |
| 178 | G | 68.2 | Low | 71 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E174 G175 F176 N180 R181 | E174-G178 PolarHBondContact O-N 3.44Å; G175-G178 PolarHBondContact O-N 3.42Å; F176-G178 VanDerWaalsContact C-N 3.31Å; F176-G178 PolarHBondContact O-N 2.95Å; G178-N180 VanDerWaalsContact C-N 3.35Å; G178-R181 WeakPolarHBondContact O-CB 3.37Å; G178-R181 PolarHBondContact O-N 2.9Å |
| 179 | I | 69.6 | Low | 70.9 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 175.9 | -63.1 | -179.6 | 0 | 0 | 0 | 111 | P137 I170 Y171 G175 F176 R181 | P137-I179 HydrophobicContact CB-CG2 3.78Å; I170-I179 HydrophobicContact CG2-CG1 4.27Å; Y171-I179 HydrophobicContact CD2-CD1 3.56Å; Y171-I179 HydrophobicContact CD2-CG1 4.44Å; Y171-I179 HydrophobicContact CG-CD1 4.18Å; G175-I179 PolarHBondContact O-N 3.06Å; F176-I179 PolarHBondContact O-N 2.96Å; I179-R181 PolarHBondContact O-N 2.97Å |
| 180 | N | 67.5 | Low | 70.6 | Confident | 44 Ų | 44 | 71.5 Ų | 71.5 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 5.2 | 178.2 | -67.4 | -18.6 | 0 | 0 | 0 | 113.3 | F176 G178 G182 M183 | F176-N180 WeakPolarHBondContact CD1-ND2 3.36Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.19Å; F176-N180 PolarHBondContact O-N 3.34Å; G178-N180 VanDerWaalsContact C-N 3.35Å; N180-G182 PolarHBondContact O-N 3.13Å; N180-G182 VanDerWaalsContact O-N 3.12Å; N180-M183 HydrophobicContact CB-CB 4.43Å; N180-M183 HydrophobicContact CB-CE 4.04Å; N180-M183 VanDerWaalsContact O-CB 3.24Å; N180-M183 WeakPolarHBondContact O-CB 3.26Å; N180-M183 PolarHBondContact O-N 3.24Å |
| 181 | R | 64.7 | Low | 70.4 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 110.5 | -178.3 | -156.6 | 169.5 | -176.8 | -162.8 | -8 | 109.3 | E174 R177 G178 I179 L246 D249 N255 Y257 | E174-R181 IonicContact OE1-NH1 2.7Å; E174-R181 IonicContact OE2-CZ 3.6Å; E174-R181 IonicContact OE2-NH1 3.84Å; E174-R181 PolarHBondContact OE2-NH1 3.47Å; R177-R181 PolarHBondContact O-N 3.24Å; R177-R181 VanDerWaalsContact O-N 3.13Å; G178-R181 WeakPolarHBondContact O-CB 3.37Å; G178-R181 PolarHBondContact O-N 2.9Å; I179-R181 PolarHBondContact O-N 2.97Å; R181-L246 HydrophobicContact CG-CD2 4.46Å; R181-L246 HydrophobicContact CG-CG 4.29Å; R181-D249 IonicContact CZ-OD2 3.67Å; R181-D249 IonicContact NH2-OD2 3.93Å; R181-D249 PolarHBondContact NH2-OD2 2.86Å; R181-N255 PolarHBondContact NH1-ND2 3.14Å; R181-N255 PolarHBondContact NH1-OD1 2.96Å; R181-Y257 PolarHBondContact NH2-O 3.22Å |
| 182 | G | 64.1 | Low | 70.3 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | -1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | N180 T185 T186 | N180-G182 PolarHBondContact O-N 3.13Å; N180-G182 VanDerWaalsContact O-N 3.12Å; G182-T185 VanDerWaalsContact C-OG1 3.27Å; G182-T185 WeakPolarHBondContact CA-OG1 3.39Å; G182-T185 PolarHBondContact O-OG1 3.15Å; G182-T186 WeakPolarHBondContact O-CB 3.32Å; G182-T186 PolarHBondContact O-N 3.05Å; G182-T186 PolarHBondContact O-OG1 2.9Å |
| 183 | M | 67.2 | Low | 70 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 173.4 | -177.5 | 167 | 75.9 | 0 | 0 | 111.2 | C136 N180 T185 T186 L187 | C136-M183 HydrophobicContact CB-CG 4.49Å; C136-M183 HydrophobicContact CB-SD 4.38Å; N180-M183 HydrophobicContact CB-CB 4.43Å; N180-M183 HydrophobicContact CB-CE 4.04Å; N180-M183 VanDerWaalsContact O-CB 3.24Å; N180-M183 WeakPolarHBondContact O-CB 3.26Å; N180-M183 PolarHBondContact O-N 3.24Å; M183-T185 VanDerWaalsContact C-N 3.32Å; M183-T185 PolarHBondContact O-N 2.93Å; M183-T186 WeakPolarHBondContact O-CA 3.17Å; M183-T186 WeakPolarHBondContact O-CB 3.32Å; M183-T186 PolarHBondContact O-N 2.71Å; M183-L187 PolarHBondContact O-N 3.47Å |
| 184 | V | 68.9 | Low | 69.9 | Low | 92 Ų | 92 | 56.8 Ų | 56.8 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.1 | -42.7 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | T186 L187 L188 I260 | V184-T186 VanDerWaalsContact C-N 3.26Å; V184-T186 PolarHBondContact O-N 3.01Å; V184-L187 PolarHBondContact O-N 3.47Å; V184-L188 VanDerWaalsContact O-CB 3.28Å; V184-L188 WeakPolarHBondContact O-CB 3.22Å; V184-L188 PolarHBondContact O-N 3.31Å; V184-I260 HydrophobicContact CB-CD1 4.43Å; V184-I260 HydrophobicContact CG1-CD1 4.23Å |
| 185 | T | 67.9 | Low | 70.2 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.4 | -27.5 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 112.8 | G182 M183 R189 L246 I260 | G182-T185 VanDerWaalsContact C-OG1 3.27Å; G182-T185 WeakPolarHBondContact CA-OG1 3.39Å; G182-T185 PolarHBondContact O-OG1 3.15Å; M183-T185 VanDerWaalsContact C-N 3.32Å; M183-T185 PolarHBondContact O-N 2.93Å; T185-R189 WeakPolarHBondContact O-CB 3.36Å; T185-R189 PolarHBondContact O-N 2.92Å; T185-R189 VanDerWaalsContact O-N 3.08Å; T185-L246 HydrophobicContact CG2-CD2 4.28Å; T185-I260 HydrophobicContact CG2-CD1 3.49Å; T185-I260 VanDerWaalsContact CG2-CD1 3.49Å; T185-I260 HydrophobicContact CG2-CG1 3.71Å; T185-I260 HydrophobicContact CG2-CG2 4.08Å |
| 186 | T | 68.3 | Low | 70.4 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -49.1 | 174.5 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | G182 M183 V184 L188 R189 E190 K243 | G182-T186 WeakPolarHBondContact O-CB 3.32Å; G182-T186 PolarHBondContact O-N 3.05Å; G182-T186 PolarHBondContact O-OG1 2.9Å; M183-T186 WeakPolarHBondContact O-CA 3.17Å; M183-T186 WeakPolarHBondContact O-CB 3.32Å; M183-T186 PolarHBondContact O-N 2.71Å; V184-T186 VanDerWaalsContact C-N 3.26Å; V184-T186 PolarHBondContact O-N 3.01Å; T186-L188 VanDerWaalsContact C-N 3.32Å; T186-L188 PolarHBondContact O-N 3.36Å; T186-R189 WeakPolarHBondContact O-CB 3.43Å; T186-R189 PolarHBondContact O-N 3.28Å; T186-E190 HydrophobicContact CG2-CG 4.12Å; T186-E190 VanDerWaalsContact O-CG 3.32Å; T186-E190 WeakPolarHBondContact O-CG 3.21Å; T186-E190 PolarHBondContact O-N 2.83Å; T186-K243 WeakPolarHBondContact OG1-CD 3.25Å; T186-K243 WeakPolarHBondContact OG1-CE 3.35Å; T186-K243 PolarHBondContact OG1-NZ 2.81Å |
| 187 | L | 68.1 | Low | 70.6 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -44.8 | 175.1 | -68 | 173 | 0 | 0 | 0 | 111.4 | M183 V184 R189 E190 T191 | M183-L187 PolarHBondContact O-N 3.47Å; V184-L187 PolarHBondContact O-N 3.47Å; L187-R189 PolarHBondContact O-N 2.86Å; L187-E190 PolarHBondContact O-N 3.41Å; L187-T191 PolarHBondContact O-N 2.97Å; L187-T191 PolarHBondContact O-OG1 3.47Å; L187-T191 VanDerWaalsContact O-OG1 3.12Å |
| 188 | L | 72.2 | Confident | 71 | Confident | 102 Ų | 102 | 43 Ų | 43 | 53% | 0.534 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -22.4 | 176 | -159 | 92.1 | 0 | 0 | 0 | 113.2 | V184 T186 P192 V239 | V184-L188 VanDerWaalsContact O-CB 3.28Å; V184-L188 WeakPolarHBondContact O-CB 3.22Å; V184-L188 PolarHBondContact O-N 3.31Å; T186-L188 VanDerWaalsContact C-N 3.32Å; T186-L188 PolarHBondContact O-N 3.36Å; L188-P192 WeakPolarHBondContact O-CD 3.29Å; L188-P192 WeakPolarHBondContact O-CG 3.37Å; L188-V239 HydrophobicContact CB-CG1 4.45Å; L188-V239 HydrophobicContact CD2-CG1 4.13Å; L188-V239 HydrophobicContact CD2-CG2 4.45Å |
| 189 | R | 74.7 | Confident | 71.5 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -85.2 | -49.4 | 174.7 | -177.8 | -167.8 | 69.4 | -175.6 | 1.5 | 111.2 | T185 T186 L187 P192 G193 T236 V239 D240 | T185-R189 WeakPolarHBondContact O-CB 3.36Å; T185-R189 PolarHBondContact O-N 2.92Å; T185-R189 VanDerWaalsContact O-N 3.08Å; T186-R189 WeakPolarHBondContact O-CB 3.43Å; T186-R189 PolarHBondContact O-N 3.28Å; L187-R189 PolarHBondContact O-N 2.86Å; R189-P192 WeakPolarHBondContact O-CD 3.35Å; R189-G193 PolarHBondContact O-N 3.48Å; R189-T236 HydrophobicContact CG-CG2 4.44Å; R189-T236 WeakPolarHBondContact O-CG2 3.33Å; R189-V239 HydrophobicContact CB-CB 4.42Å; R189-V239 HydrophobicContact CB-CG1 3.86Å; R189-D240 WeakPolarHBondContact CD-OD1 3.5Å; R189-D240 IonicContact CZ-OD1 2.96Å; R189-D240 IonicContact NE-OD1 3.52Å; R189-D240 IonicContact NH1-OD1 2.86Å; R189-D240 PolarHBondContact NH1-OD1 3.38Å |
| 190 | E | 68.6 | Low | 72 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | -173.8 | -66.9 | -57.9 | 127.3 | 0 | 0 | 111.6 | T186 L187 G193 F194 | T186-E190 HydrophobicContact CG2-CG 4.12Å; T186-E190 VanDerWaalsContact O-CG 3.32Å; T186-E190 WeakPolarHBondContact O-CG 3.21Å; T186-E190 PolarHBondContact O-N 2.83Å; L187-E190 PolarHBondContact O-N 3.41Å; E190-G193 PolarHBondContact O-N 3.4Å; E190-F194 HydrophobicContact CB-CD2 4.32Å; E190-F194 HydrophobicContact CB-CE2 3.94Å; E190-F194 WeakPolarHBondContact O-CD2 2.95Å; E190-F194 PolarHBondContact O-N 2.93Å; E190-F194 WeakPolarHBondContact OE2-CE2 3.38Å; E190-F194 VanDerWaalsContact OE2-CZ 3.29Å; E190-F194 WeakPolarHBondContact OE2-CZ 3.43Å |
| 191 | T | 72.4 | Confident | 72.4 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.3 | -56.1 | -178.4 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | L187 G193 G195 | L187-T191 PolarHBondContact O-N 2.97Å; L187-T191 PolarHBondContact O-OG1 3.47Å; L187-T191 VanDerWaalsContact O-OG1 3.12Å; T191-G193 VanDerWaalsContact C-N 3.33Å; T191-G195 PolarHBondContact O-N 2.94Å; T191-G195 VanDerWaalsContact O-N 3.17Å |
| 192 | P | 75.5 | Confident | 72.8 | Confident | 50 Ų | 50 | 48.6 Ų | 48.6 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70 | -30.4 | 176.2 | 26.3 | -33.1 | 0 | 0 | 0 | 112.5 | L188 R189 F194 G195 V196 T236 | L188-P192 WeakPolarHBondContact O-CD 3.29Å; L188-P192 WeakPolarHBondContact O-CG 3.37Å; R189-P192 WeakPolarHBondContact O-CD 3.35Å; P192-F194 PolarHBondContact O-N 3.19Å; P192-G195 PolarHBondContact O-N 3.08Å; P192-V196 WeakPolarHBondContact O-CB 3.48Å; P192-V196 WeakPolarHBondContact O-CG2 3.23Å; P192-V196 PolarHBondContact O-N 3.36Å; P192-T236 HydrophobicContact CG-CG2 4.4Å |
| 193 | G | 73.5 | Confident | 73.7 | Confident | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R189 E190 T191 Y197 S232 | R189-G193 PolarHBondContact O-N 3.48Å; E190-G193 PolarHBondContact O-N 3.4Å; T191-G193 VanDerWaalsContact C-N 3.33Å; G193-Y197 VanDerWaalsContact O-CB 3.23Å; G193-Y197 WeakPolarHBondContact O-CB 3.43Å; G193-Y197 PolarHBondContact O-N 3.32Å; G193-S232 PolarHBondContact O-OG 3Å |
| 194 | F | 72.3 | Confident | 74.3 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 175 | -67.3 | -50.7 | 0 | 0 | 0 | 111.9 | M1 Q2 E190 P192 V196 Y197 F198 | M1-F194 HydrophobicContact CB-CE2 4.49Å; M1-F194 HydrophobicContact CB-CZ 4.13Å; M1-F194 HydrophobicContact SD-CE2 4.49Å; Q2-F194 HydrophobicContact CB-CE1 4.3Å; Q2-F194 HydrophobicContact CG-CE1 3.86Å; E190-F194 HydrophobicContact CB-CD2 4.32Å; E190-F194 HydrophobicContact CB-CE2 3.94Å; E190-F194 WeakPolarHBondContact O-CD2 2.95Å; E190-F194 PolarHBondContact O-N 2.93Å; E190-F194 WeakPolarHBondContact OE2-CE2 3.38Å; E190-F194 VanDerWaalsContact OE2-CZ 3.29Å; E190-F194 WeakPolarHBondContact OE2-CZ 3.43Å; P192-F194 PolarHBondContact O-N 3.19Å; F194-V196 PolarHBondContact O-N 3.19Å; F194-Y197 PolarHBondContact O-N 3.47Å; F194-F198 HydrophobicContact CB-CD2 4.33Å; F194-F198 HydrophobicContact CB-CE2 4.05Å; F194-F198 HydrophobicContact CD1-CE2 4.36Å; F194-F198 WeakPolarHBondContact O-CD2 3.44Å; F194-F198 PolarHBondContact O-N 2.94Å |
| 195 | G | 75.1 | Confident | 74.6 | Confident | 42 Ų | 42 | 48.4 Ų | 48.4 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.4 | -50 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | T191 P192 F198 L199 | T191-G195 PolarHBondContact O-N 2.94Å; T191-G195 VanDerWaalsContact O-N 3.17Å; P192-G195 PolarHBondContact O-N 3.08Å; G195-F198 PolarHBondContact O-N 3.34Å; G195-L199 VanDerWaalsContact O-CB 3.3Å; G195-L199 WeakPolarHBondContact O-CB 3.34Å; G195-L199 PolarHBondContact O-N 3.12Å |
| 196 | V | 80.4 | Confident | 75 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | P192 F194 A200 A231 | P192-V196 WeakPolarHBondContact O-CB 3.48Å; P192-V196 WeakPolarHBondContact O-CG2 3.23Å; P192-V196 PolarHBondContact O-N 3.36Å; F194-V196 PolarHBondContact O-N 3.19Å; V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.89Å; V196-A231 HydrophobicContact CG1-CB 4.4Å |
| 197 | Y | 76.4 | Confident | 75.6 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 176.2 | -179.3 | -92 | 0 | 0 | 0 | 111.4 | G193 F194 A200 Y201 | G193-Y197 VanDerWaalsContact O-CB 3.23Å; G193-Y197 WeakPolarHBondContact O-CB 3.43Å; G193-Y197 PolarHBondContact O-N 3.32Å; F194-Y197 PolarHBondContact O-N 3.47Å; Y197-A200 PolarHBondContact O-N 2.92Å; Y197-Y201 WeakPolarHBondContact O-CB 3.4Å; Y197-Y201 PolarHBondContact O-N 3.39Å |
| 198 | F | 76.3 | Confident | 76 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -40.1 | -178.5 | -70.6 | -58.5 | 0 | 0 | 0 | 112.7 | V5 Q9 F194 G195 Y201 D202 | V5-F198 HydrophobicContact CB-CE1 4Å; V5-F198 HydrophobicContact CB-CE2 4.09Å; V5-F198 HydrophobicContact CB-CZ 3.39Å; V5-F198 HydrophobicContact CG1-CD1 4.16Å; V5-F198 HydrophobicContact CG1-CD2 4.41Å; V5-F198 HydrophobicContact CG1-CE1 3.29Å; V5-F198 HydrophobicContact CG1-CE2 3.6Å; V5-F198 HydrophobicContact CG1-CZ 3.02Å; V5-F198 HydrophobicContact CG2-CE2 4.33Å; V5-F198 HydrophobicContact CG2-CZ 4.09Å; Q9-F198 VanDerWaalsContact OE1-CE1 3.23Å; F194-F198 HydrophobicContact CB-CD2 4.33Å; F194-F198 HydrophobicContact CB-CE2 4.05Å; F194-F198 HydrophobicContact CD1-CE2 4.36Å; F194-F198 WeakPolarHBondContact O-CD2 3.44Å; F194-F198 PolarHBondContact O-N 2.94Å; G195-F198 PolarHBondContact O-N 3.34Å; F198-Y201 PolarHBondContact O-N 2.98Å; F198-D202 WeakPolarHBondContact O-CB 3.36Å; F198-D202 PolarHBondContact O-N 3.36Å |
| 199 | L | 78.1 | Confident | 76 | Confident | 117 Ų | 117 | 56 Ų | 56 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.1 | -47.5 | 176.4 | -178.5 | 140.3 | 0 | 0 | 0 | 111.4 | G195 Y201 D202 V203 | G195-L199 VanDerWaalsContact O-CB 3.3Å; G195-L199 WeakPolarHBondContact O-CB 3.34Å; G195-L199 PolarHBondContact O-N 3.12Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.34Å; L199-D202 PolarHBondContact O-N 2.89Å; L199-V203 WeakPolarHBondContact O-CB 3.3Å; L199-V203 VanDerWaalsContact O-CG2 3.27Å; L199-V203 WeakPolarHBondContact O-CG2 3.49Å; L199-V203 PolarHBondContact O-N 3.44Å |
| 200 | A | 79.3 | Confident | 75.4 | Confident | 15 Ų | 15 | 56 Ų | 56 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V196 Y197 L204 A231 | V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.89Å; Y197-A200 PolarHBondContact O-N 2.92Å; A200-L204 VanDerWaalsContact O-CB 3.28Å; A200-L204 WeakPolarHBondContact O-CB 3.27Å; A200-L204 VanDerWaalsContact O-CD1 3.3Å; A200-L204 WeakPolarHBondContact O-CD1 3.39Å; A200-L204 WeakPolarHBondContact O-CG 3.49Å; A200-L204 PolarHBondContact O-N 3Å; A200-A231 HydrophobicContact CB-CB 4.07Å |
| 201 | Y | 76.3 | Confident | 75.4 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 14% | 0.137 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -50.8 | 177.3 | -175.7 | -98.6 | 0 | 0 | 0 | 111.5 | Y197 F198 L199 V203 L204 T205 L221 A224 | Y197-Y201 WeakPolarHBondContact O-CB 3.4Å; Y197-Y201 PolarHBondContact O-N 3.39Å; F198-Y201 PolarHBondContact O-N 2.98Å; L199-Y201 VanDerWaalsContact C-N 3.32Å; L199-Y201 PolarHBondContact O-N 3.34Å; Y201-V203 PolarHBondContact O-N 3.26Å; Y201-L204 PolarHBondContact O-N 2.82Å; Y201-T205 HydrophobicContact CD1-CG2 4.18Å; Y201-T205 HydrophobicContact CD2-CG2 4.41Å; Y201-T205 HydrophobicContact CE1-CG2 3.82Å; Y201-T205 HydrophobicContact CE2-CG2 4.06Å; Y201-T205 HydrophobicContact CG-CG2 4.46Å; Y201-T205 WeakPolarHBondContact O-CG2 3.29Å; Y201-T205 PolarHBondContact O-N 3.19Å; Y201-T205 PolarHBondContact O-OG1 3.47Å; Y201-T205 VanDerWaalsContact O-OG1 3.05Å; Y201-L221 WeakPolarHBondContact OH-CD2 3.4Å; Y201-A224 HydrophobicContact CD2-CB 4.39Å; Y201-A224 HydrophobicContact CE2-CB 4.35Å |
| 202 | D | 73.8 | Confident | 74.8 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 179.9 | -176.5 | 52.9 | 0 | 0 | 0 | 112.5 | F198 L199 T205 R206 | F198-D202 WeakPolarHBondContact O-CB 3.36Å; F198-D202 PolarHBondContact O-N 3.36Å; L199-D202 PolarHBondContact O-N 2.89Å; D202-T205 PolarHBondContact O-OG1 2.84Å; D202-R206 VanDerWaalsContact CG-NE 3.32Å; D202-R206 VanDerWaalsContact CG-NH2 3.3Å; D202-R206 WeakPolarHBondContact O-CB 3.15Å; D202-R206 WeakPolarHBondContact O-CG 3.24Å; D202-R206 PolarHBondContact O-N 2.9Å; D202-R206 VanDerWaalsContact O-N 3.13Å; D202-R206 IonicContact OD1-CZ 2.97Å; D202-R206 VanDerWaalsContact OD1-CZ 3.25Å; D202-R206 IonicContact OD1-NE 2.92Å; D202-R206 PolarHBondContact OD1-NE 3.43Å; D202-R206 IonicContact OD1-NH2 3.71Å; D202-R206 PolarHBondContact OD1-NH2 3.5Å; D202-R206 IonicContact OD2-CZ 2.93Å; D202-R206 IonicContact OD2-NE 2.89Å; D202-R206 PolarHBondContact OD2-NE 2.99Å; D202-R206 IonicContact OD2-NH1 2.78Å; D202-R206 IonicContact OD2-NH2 3.5Å; D202-R206 PolarHBondContact OD2-NH2 2.9Å |
| 203 | V | 82.1 | Confident | 73.9 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 47% | 0.473 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L199 Y201 S207 | L199-V203 WeakPolarHBondContact O-CB 3.3Å; L199-V203 VanDerWaalsContact O-CG2 3.27Å; L199-V203 WeakPolarHBondContact O-CG2 3.49Å; L199-V203 PolarHBondContact O-N 3.44Å; Y201-V203 PolarHBondContact O-N 3.26Å; V203-S207 VanDerWaalsContact O-CB 3.3Å; V203-S207 WeakPolarHBondContact O-CB 3.34Å; V203-S207 PolarHBondContact O-N 3.01Å; V203-S207 PolarHBondContact O-OG 3.35Å |
| 204 | L | 79.4 | Confident | 73.5 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.1 | -42.5 | -178.3 | -75.6 | 165.1 | 0 | 0 | 0 | 112.4 | A200 Y201 R206 S207 L208 A224 M227 | A200-L204 VanDerWaalsContact O-CB 3.28Å; A200-L204 WeakPolarHBondContact O-CB 3.27Å; A200-L204 VanDerWaalsContact O-CD1 3.3Å; A200-L204 WeakPolarHBondContact O-CD1 3.39Å; A200-L204 WeakPolarHBondContact O-CG 3.49Å; A200-L204 PolarHBondContact O-N 3Å; Y201-L204 PolarHBondContact O-N 2.82Å; L204-R206 VanDerWaalsContact C-N 3.35Å; L204-S207 PolarHBondContact O-N 2.91Å; L204-L208 WeakPolarHBondContact O-CB 3.41Å; L204-L208 WeakPolarHBondContact O-CD1 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.17Å; L204-A224 HydrophobicContact CB-CB 3.87Å; L204-M227 HydrophobicContact CD1-CB 3.54Å |
| 205 | T | 75.1 | Confident | 73.2 | Confident | 25 Ų | 25 | 72 Ų | 72 | 15% | 0.153 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 178.4 | 52.5 | 0 | 0 | 0 | 0 | 112 | Y201 D202 G209 C210 A224 | Y201-T205 HydrophobicContact CD1-CG2 4.18Å; Y201-T205 HydrophobicContact CD2-CG2 4.41Å; Y201-T205 HydrophobicContact CE1-CG2 3.82Å; Y201-T205 HydrophobicContact CE2-CG2 4.06Å; Y201-T205 HydrophobicContact CG-CG2 4.46Å; Y201-T205 WeakPolarHBondContact O-CG2 3.29Å; Y201-T205 PolarHBondContact O-N 3.19Å; Y201-T205 PolarHBondContact O-OG1 3.47Å; Y201-T205 VanDerWaalsContact O-OG1 3.05Å; D202-T205 PolarHBondContact O-OG1 2.84Å; T205-G209 PolarHBondContact O-N 2.96Å; T205-C210 PolarHBondContact O-N 3.12Å; T205-A224 HydrophobicContact CG2-CB 3.92Å |
| 206 | R | 77.6 | Confident | 72.9 | Confident | 182 Ų | 182 | 77.7 Ų | 77.7 | 69% | 0.687 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 172.7 | -70.4 | 175.8 | -167.3 | -166.3 | 3.9 | 112.5 | D202 L204 L208 G209 | D202-R206 VanDerWaalsContact CG-NE 3.32Å; D202-R206 VanDerWaalsContact CG-NH2 3.3Å; D202-R206 WeakPolarHBondContact O-CB 3.15Å; D202-R206 WeakPolarHBondContact O-CG 3.24Å; D202-R206 PolarHBondContact O-N 2.9Å; D202-R206 VanDerWaalsContact O-N 3.13Å; D202-R206 IonicContact OD1-CZ 2.97Å; D202-R206 VanDerWaalsContact OD1-CZ 3.25Å; D202-R206 IonicContact OD1-NE 2.92Å; D202-R206 PolarHBondContact OD1-NE 3.43Å; D202-R206 IonicContact OD1-NH2 3.71Å; D202-R206 PolarHBondContact OD1-NH2 3.5Å; D202-R206 IonicContact OD2-CZ 2.93Å; D202-R206 IonicContact OD2-NE 2.89Å; D202-R206 PolarHBondContact OD2-NE 2.99Å; D202-R206 IonicContact OD2-NH1 2.78Å; D202-R206 IonicContact OD2-NH2 3.5Å; D202-R206 PolarHBondContact OD2-NH2 2.9Å; L204-R206 VanDerWaalsContact C-N 3.35Å; R206-L208 VanDerWaalsContact C-N 3.32Å; R206-L208 PolarHBondContact O-N 3.26Å; R206-G209 PolarHBondContact O-N 3.48Å |
| 207 | S | 80 | Confident | 72.3 | Confident | 93 Ų | 93 | 79 Ų | 79 | 65% | 0.65 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.4 | -28.1 | -179.8 | -57.8 | 0 | 0 | 0 | 0 | 113.1 | V203 L204 | V203-S207 VanDerWaalsContact O-CB 3.3Å; V203-S207 WeakPolarHBondContact O-CB 3.34Å; V203-S207 PolarHBondContact O-N 3.01Å; V203-S207 PolarHBondContact O-OG 3.35Å; L204-S207 PolarHBondContact O-N 2.91Å |
| 208 | L | 77.4 | Confident | 71.9 | Confident | 58 Ų | 58 | 82.7 Ų | 82.7 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.7 | -179.4 | -71.6 | 164.3 | 0 | 0 | 0 | 113.8 | L204 R206 K220 F223 A224 | L204-L208 WeakPolarHBondContact O-CB 3.41Å; L204-L208 WeakPolarHBondContact O-CD1 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.35Å; L204-L208 PolarHBondContact O-N 3.17Å; R206-L208 VanDerWaalsContact C-N 3.32Å; R206-L208 PolarHBondContact O-N 3.26Å; L208-K220 PolarHBondContact O-NZ 3.23Å; L208-F223 HydrophobicContact CD1-CD1 4.13Å; L208-A224 HydrophobicContact CD1-CB 4.15Å |
| 209 | G | 70.9 | Confident | 71.6 | Confident | 28 Ų | 28 | 84.3 Ų | 84.3 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 56.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T205 R206 E211 K220 | T205-G209 PolarHBondContact O-N 2.96Å; R206-G209 PolarHBondContact O-N 3.48Å; G209-E211 VanDerWaalsContact C-N 3.29Å; G209-E211 PolarHBondContact O-N 3.35Å; G209-K220 PolarHBondContact O-NZ 2.76Å |
| 210 | C | 63.3 | Low | 71.2 | Confident | 38 Ų | 38 | 81.3 Ų | 81.3 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | trans | -74.4 | 84.5 | 175.7 | -72.5 | 0 | 0 | 0 | 0 | 109.7 | T205 L221 | T205-C210 PolarHBondContact O-N 3.12Å; C210-L221 HydrophobicContact CB-CD1 4.3Å | ||
| 211 | E | 67.6 | Low | 70.8 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 60% | 0.603 | 43% | 0.433 | S | S | * | . | trans | -88.4 | 145.4 | 170.6 | -83.1 | 147.8 | 87 | 0 | 0 | 111.2 | G209 E213 D214 | G209-E211 VanDerWaalsContact C-N 3.29Å; G209-E211 PolarHBondContact O-N 3.35Å; E211-E213 PolarHBondContact O-N 2.87Å; E211-D214 WeakPolarHBondContact O-CB 3.42Å; E211-D214 PolarHBondContact O-N 3.04Å | ||
| 212 | P | 59.8 | Low | 70.4 | Confident | 111 Ų | 111 | 84.2 Ų | 84.2 | 72% | 0.721 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.1 | -176.1 | 23 | -30.7 | 0 | 0 | 0 | 114.4 | ||
| 213 | E | 58.2 | Low | 70.5 | Confident | 186 Ų | 186 | 86.8 Ų | 86.8 | 87% | 0.869 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1.7 | -178.1 | -59.6 | -178.9 | -176.2 | 0 | 0 | 113.2 | E211 | E211-E213 PolarHBondContact O-N 2.87Š|
| 214 | D | 64.6 | Low | 70.1 | Confident | 52 Ų | 52 | 83 Ų | 83 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | trans | -91.7 | 121.9 | -167.8 | -144.9 | 5.9 | 0 | 0 | 0 | 111.5 | E211 Y216 M217 K220 | E211-D214 WeakPolarHBondContact O-CB 3.42Å; E211-D214 PolarHBondContact O-N 3.04Å; D214-Y216 PolarHBondContact O-N 2.81Å; D214-M217 VanDerWaalsContact O-CB 3.23Å; D214-M217 WeakPolarHBondContact O-CB 3.21Å; D214-M217 PolarHBondContact O-N 3.43Å; D214-K220 IonicContact OD2-NZ 2.81Å; D214-K220 PolarHBondContact OD2-NZ 3.14Å | ||
| 215 | P | 65.8 | Low | 69.8 | Low | 115 Ų | 115 | 81.1 Ų | 81.1 | 75% | 0.747 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.8 | -176.2 | 19.9 | -29.4 | 0 | 0 | 0 | 114 | ||
| 216 | Y | 68.4 | Low | 69.6 | Low | 161 Ų | 161 | 80.3 Ų | 80.3 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 12.3 | 176 | -60 | -76.6 | 0 | 0 | 0 | 114.2 | D214 I218 P219 K220 | D214-Y216 PolarHBondContact O-N 2.81Å; Y216-I218 VanDerWaalsContact C-N 3.35Å; Y216-I218 PolarHBondContact O-N 2.89Å; Y216-P219 VanDerWaalsContact O-CD 3.27Å; Y216-P219 WeakPolarHBondContact O-CD 3.17Å; Y216-K220 WeakPolarHBondContact O-CG 3.15Å; Y216-K220 PolarHBondContact O-N 3.41Å |
| 217 | M | 67.9 | Low | 69.8 | Low | 69 Ų | 69 | 75.3 Ų | 75.3 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -53.9 | -47.6 | 179.5 | 178.2 | 175.6 | 74.6 | 0 | 0 | 112.2 | D214 K220 L221 | D214-M217 VanDerWaalsContact O-CB 3.23Å; D214-M217 WeakPolarHBondContact O-CB 3.21Å; D214-M217 PolarHBondContact O-N 3.43Å; M217-K220 PolarHBondContact O-N 3.01Å; M217-L221 HydrophobicContact CB-CD1 4.45Å; M217-L221 HydrophobicContact CG-CD1 3.35Å; M217-L221 WeakPolarHBondContact O-CD1 3.23Å; M217-L221 PolarHBondContact O-N 3.3Å; M217-L221 HydrophobicContact SD-CD1 4.46Å |
| 218 | I | 68 | Low | 69.6 | Low | 102 Ų | 102 | 70.9 Ų | 70.9 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | -177.8 | -62.6 | -177.1 | 0 | 0 | 0 | 112.2 | Y216 K220 L221 L222 | Y216-I218 VanDerWaalsContact C-N 3.35Å; Y216-I218 PolarHBondContact O-N 2.89Å; I218-K220 PolarHBondContact O-N 3.08Å; I218-L221 PolarHBondContact O-N 2.88Å; I218-L222 WeakPolarHBondContact O-CB 3.38Å; I218-L222 PolarHBondContact O-N 3.33Å |
| 219 | P | 70.2 | Confident | 69.4 | Low | 75 Ų | 75 | 68.4 Ų | 68.4 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 172.5 | -27.1 | 31.7 | 0 | 0 | 0 | 114.5 | Y216 L222 F223 | Y216-P219 VanDerWaalsContact O-CD 3.27Å; Y216-P219 WeakPolarHBondContact O-CD 3.17Å; P219-L222 PolarHBondContact O-N 3.01Å; P219-F223 PolarHBondContact O-N 3.46Å |
| 220 | K | 70.3 | Confident | 69.9 | Low | 54 Ų | 54 | 68.3 Ų | 68.3 | 24% | 0.235 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 179.3 | -72.5 | 176.8 | 175.6 | -174.5 | 0 | 111.7 | L208 G209 D214 Y216 M217 I218 L222 F223 A224 | L208-K220 PolarHBondContact O-NZ 3.23Å; G209-K220 PolarHBondContact O-NZ 2.76Å; D214-K220 IonicContact OD2-NZ 2.81Å; D214-K220 PolarHBondContact OD2-NZ 3.14Å; Y216-K220 WeakPolarHBondContact O-CG 3.15Å; Y216-K220 PolarHBondContact O-N 3.41Å; M217-K220 PolarHBondContact O-N 3.01Å; I218-K220 PolarHBondContact O-N 3.08Å; K220-L222 VanDerWaalsContact C-N 3.31Å; K220-L222 PolarHBondContact O-N 3.03Å; K220-F223 PolarHBondContact O-N 3.1Å; K220-A224 WeakPolarHBondContact O-CB 3.38Å; K220-A224 PolarHBondContact O-N 3.29Å |
| 221 | L | 69.1 | Low | 70.8 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 174.4 | -89.4 | 93.5 | 0 | 0 | 0 | 112.2 | Y201 C210 M217 I218 A224 G225 | Y201-L221 WeakPolarHBondContact OH-CD2 3.4Å; C210-L221 HydrophobicContact CB-CD1 4.3Å; M217-L221 HydrophobicContact CB-CD1 4.45Å; M217-L221 HydrophobicContact CG-CD1 3.35Å; M217-L221 WeakPolarHBondContact O-CD1 3.23Å; M217-L221 PolarHBondContact O-N 3.3Å; M217-L221 HydrophobicContact SD-CD1 4.46Å; I218-L221 PolarHBondContact O-N 2.88Å; L221-A224 PolarHBondContact O-N 3.29Å; L221-G225 PolarHBondContact O-N 3.16Å |
| 222 | L | 68.8 | Low | 71.4 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 40% | 0.398 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 178.6 | -169.5 | 139.6 | 0 | 0 | 0 | 111.5 | I218 P219 K220 G226 F295 | I218-L222 WeakPolarHBondContact O-CB 3.38Å; I218-L222 PolarHBondContact O-N 3.33Å; P219-L222 PolarHBondContact O-N 3.01Å; K220-L222 VanDerWaalsContact C-N 3.31Å; K220-L222 PolarHBondContact O-N 3.03Å; L222-G226 PolarHBondContact O-N 3.47Å; L222-F295 HydrophobicContact CB-CD2 4.44Å; L222-F295 HydrophobicContact CB-CE2 4.48Å; L222-F295 HydrophobicContact CD1-CB 3.92Å; L222-F295 HydrophobicContact CD1-CD2 3.86Å; L222-F295 HydrophobicContact CD1-CG 3.97Å; L222-F295 HydrophobicContact CG-CD2 3.88Å; L222-F295 HydrophobicContact CG-CE2 4.22Å; L222-F295 HydrophobicContact CG-CG 4.38Å |
| 223 | F | 76.4 | Confident | 72.4 | Confident | 115 Ų | 115 | 59.6 Ų | 59.6 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 173.1 | -173.6 | -99 | 0 | 0 | 0 | 111.6 | L208 P219 K220 G225 G226 M227 | L208-F223 HydrophobicContact CD1-CD1 4.13Å; P219-F223 PolarHBondContact O-N 3.46Å; K220-F223 PolarHBondContact O-N 3.1Å; F223-G225 PolarHBondContact O-N 3.35Å; F223-G226 PolarHBondContact O-N 2.9Å; F223-M227 HydrophobicContact CD1-CG 4.19Å; F223-M227 HydrophobicContact CD2-CG 4.45Å; F223-M227 HydrophobicContact CE1-CG 3.83Å; F223-M227 HydrophobicContact CE2-CG 4.12Å; F223-M227 HydrophobicContact CE2-SD 4.48Å; F223-M227 HydrophobicContact CG-CG 4.49Å; F223-M227 HydrophobicContact CZ-CG 3.79Å; F223-M227 HydrophobicContact CZ-SD 4.27Å; F223-M227 WeakPolarHBondContact O-CB 3.45Å; F223-M227 WeakPolarHBondContact O-CG 3.19Å; F223-M227 PolarHBondContact O-N 2.9Å |
| 224 | A | 73.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y201 L204 T205 L208 K220 L221 S228 | Y201-A224 HydrophobicContact CD2-CB 4.39Å; Y201-A224 HydrophobicContact CE2-CB 4.35Å; L204-A224 HydrophobicContact CB-CB 3.87Å; T205-A224 HydrophobicContact CG2-CB 3.92Å; L208-A224 HydrophobicContact CD1-CB 4.15Å; K220-A224 WeakPolarHBondContact O-CB 3.38Å; K220-A224 PolarHBondContact O-N 3.29Å; L221-A224 PolarHBondContact O-N 3.29Å; A224-S228 VanDerWaalsContact O-CB 3.26Å; A224-S228 WeakPolarHBondContact O-CB 3.02Å; A224-S228 PolarHBondContact O-N 3.24Å; A224-S228 PolarHBondContact O-OG 3.1Å |
| 225 | G | 71.9 | Confident | 74.6 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L221 F223 S228 G229 | L221-G225 PolarHBondContact O-N 3.16Å; F223-G225 PolarHBondContact O-N 3.35Å; G225-S228 WeakPolarHBondContact CA-OG 3.12Å; G225-S228 PolarHBondContact O-OG 2.98Å; G225-G229 PolarHBondContact O-N 3.4Å |
| 226 | G | 72.5 | Confident | 75.3 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -52 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L222 F223 G229 I230 | L222-G226 PolarHBondContact O-N 3.47Å; F223-G226 PolarHBondContact O-N 2.9Å; G226-G229 PolarHBondContact O-N 2.91Å; G226-I230 WeakPolarHBondContact O-CG1 3.39Å; G226-I230 PolarHBondContact O-N 3.36Å; G226-I230 VanDerWaalsContact O-N 3.08Å |
| 227 | M | 80.4 | Confident | 76 | Confident | 78 Ų | 78 | 42.7 Ų | 42.7 | 38% | 0.384 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.3 | -40.2 | -177.4 | -70.7 | -60.7 | -65.1 | 0 | 0 | 112.7 | L204 F223 G229 I230 A231 | L204-M227 HydrophobicContact CD1-CB 3.54Å; F223-M227 HydrophobicContact CD1-CG 4.19Å; F223-M227 HydrophobicContact CD2-CG 4.45Å; F223-M227 HydrophobicContact CE1-CG 3.83Å; F223-M227 HydrophobicContact CE2-CG 4.12Å; F223-M227 HydrophobicContact CE2-SD 4.48Å; F223-M227 HydrophobicContact CG-CG 4.49Å; F223-M227 HydrophobicContact CZ-CG 3.79Å; F223-M227 HydrophobicContact CZ-SD 4.27Å; F223-M227 WeakPolarHBondContact O-CB 3.45Å; F223-M227 WeakPolarHBondContact O-CG 3.19Å; F223-M227 PolarHBondContact O-N 2.9Å; M227-G229 VanDerWaalsContact C-N 3.33Å; M227-G229 PolarHBondContact O-N 3.44Å; M227-I230 PolarHBondContact O-N 3.37Å; M227-I230 HydrophobicContact SD-CD1 4.21Å; M227-A231 WeakPolarHBondContact O-CB 3.33Å; M227-A231 PolarHBondContact O-N 3.41Å |
| 228 | S | 76.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 173.1 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | A224 G225 A231 S232 | A224-S228 VanDerWaalsContact O-CB 3.26Å; A224-S228 WeakPolarHBondContact O-CB 3.02Å; A224-S228 PolarHBondContact O-N 3.24Å; A224-S228 PolarHBondContact O-OG 3.1Å; G225-S228 WeakPolarHBondContact CA-OG 3.12Å; G225-S228 PolarHBondContact O-OG 2.98Å; S228-A231 PolarHBondContact O-N 3.15Å; S228-S232 WeakPolarHBondContact O-CB 3.44Å; S228-S232 PolarHBondContact O-N 3.45Å |
| 229 | G | 73.2 | Confident | 77.4 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -46.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G225 G226 M227 S232 W233 | G225-G229 PolarHBondContact O-N 3.4Å; G226-G229 PolarHBondContact O-N 2.91Å; M227-G229 VanDerWaalsContact C-N 3.33Å; M227-G229 PolarHBondContact O-N 3.44Å; G229-S232 PolarHBondContact O-N 3Å; G229-W233 PolarHBondContact O-N 3.23Å |
| 230 | I | 80.9 | Confident | 77.9 | Confident | 27 Ų | 27 | 35 Ų | 35 | 14% | 0.138 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.7 | -65.6 | 166.5 | 0 | 0 | 0 | 110.4 | G226 M227 S232 W233 L234 L284 F288 | G226-I230 WeakPolarHBondContact O-CG1 3.39Å; G226-I230 PolarHBondContact O-N 3.36Å; G226-I230 VanDerWaalsContact O-N 3.08Å; M227-I230 PolarHBondContact O-N 3.37Å; M227-I230 HydrophobicContact SD-CD1 4.21Å; I230-S232 PolarHBondContact O-N 3.3Å; I230-W233 PolarHBondContact O-N 3.33Å; I230-L234 HydrophobicContact CG2-CD1 3.92Å; I230-L234 HydrophobicContact CG2-CG 4.42Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 WeakPolarHBondContact O-CG 3.48Å; I230-L234 PolarHBondContact O-N 3.49Å; I230-L284 HydrophobicContact CB-CD2 4.33Å; I230-L284 HydrophobicContact CG1-CD2 4.38Å; I230-L284 HydrophobicContact CG2-CD2 3.76Å; I230-F288 HydrophobicContact CD1-CE2 3.62Å; I230-F288 HydrophobicContact CD1-CZ 3.66Å |
| 231 | A | 82.5 | Confident | 78.3 | Confident | 34 Ų | 34 | 32.9 Ų | 32.9 | 28% | 0.281 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V196 A200 M227 S228 L234 S235 | V196-A231 HydrophobicContact CG1-CB 4.4Å; A200-A231 HydrophobicContact CB-CB 4.07Å; M227-A231 WeakPolarHBondContact O-CB 3.33Å; M227-A231 PolarHBondContact O-N 3.41Å; S228-A231 PolarHBondContact O-N 3.15Å; A231-L234 PolarHBondContact O-N 3.5Å; A231-S235 PolarHBondContact O-N 2.94Å |
| 232 | S | 80.9 | Confident | 78.8 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 112 | G193 S228 G229 I230 S235 T236 | G193-S232 PolarHBondContact O-OG 3Å; S228-S232 WeakPolarHBondContact O-CB 3.44Å; S228-S232 PolarHBondContact O-N 3.45Å; G229-S232 PolarHBondContact O-N 3Å; I230-S232 PolarHBondContact O-N 3.3Å; S232-S235 PolarHBondContact O-N 3.42Å; S232-T236 WeakPolarHBondContact O-CG2 3.42Å; S232-T236 PolarHBondContact O-N 3.27Å; S232-T236 PolarHBondContact O-OG1 2.96Å |
| 233 | W | 80.1 | Confident | 79.3 | Confident | 50 Ų | 50 | 29 Ų | 29 | 19% | 0.189 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 176.8 | -85.4 | 109.5 | 0 | 0 | 0 | 112.1 | G229 I230 S235 T236 Y237 T283 | G229-W233 PolarHBondContact O-N 3.23Å; I230-W233 PolarHBondContact O-N 3.33Å; W233-S235 VanDerWaalsContact C-N 3.34Å; W233-S235 PolarHBondContact O-N 2.94Å; W233-T236 PolarHBondContact O-N 3.43Å; W233-T236 PolarHBondContact O-OG1 3.08Å; W233-Y237 WeakPolarHBondContact O-CA 3.48Å; W233-Y237 WeakPolarHBondContact O-CB 3.35Å; W233-Y237 PolarHBondContact O-N 3.31Å; W233-T283 HydrophobicContact CD2-CG2 3.57Å; W233-T283 HydrophobicContact CE3-CG2 3.37Å; W233-T283 HydrophobicContact CG-CG2 4.14Å; W233-T283 HydrophobicContact CH2-CG2 4.23Å; W233-T283 HydrophobicContact CZ2-CG2 4.41Å; W233-T283 HydrophobicContact CZ3-CG2 3.73Å |
| 234 | L | 84.8 | Confident | 79.2 | Confident | 85 Ų | 85 | 25 Ų | 25 | 45% | 0.445 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 177.1 | -76.4 | 168.8 | 0 | 0 | 0 | 112 | I230 A231 L280 L284 | I230-L234 HydrophobicContact CG2-CD1 3.92Å; I230-L234 HydrophobicContact CG2-CG 4.42Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 WeakPolarHBondContact O-CG 3.48Å; I230-L234 PolarHBondContact O-N 3.49Å; A231-L234 PolarHBondContact O-N 3.5Å; L234-L280 HydrophobicContact CD2-CD1 3.98Å; L234-L280 HydrophobicContact CD2-CD2 3.76Å; L234-L280 HydrophobicContact CD2-CG 4.36Å; L234-L284 HydrophobicContact CG-CD2 4.47Å |
| 235 | S | 83.8 | Confident | 79.2 | Confident | 63 Ų | 63 | 27.2 Ų | 27.2 | 44% | 0.441 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68 | -37.4 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | A231 S232 W233 | A231-S235 PolarHBondContact O-N 2.94Å; S232-S235 PolarHBondContact O-N 3.42Å; W233-S235 VanDerWaalsContact C-N 3.34Å; W233-S235 PolarHBondContact O-N 2.94Å |
| 236 | T | 81.9 | Confident | 79.4 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -91.7 | -10.7 | -175.1 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | R189 P192 S232 W233 P238 V239 D240 | R189-T236 HydrophobicContact CG-CG2 4.44Å; R189-T236 WeakPolarHBondContact O-CG2 3.33Å; P192-T236 HydrophobicContact CG-CG2 4.4Å; S232-T236 WeakPolarHBondContact O-CG2 3.42Å; S232-T236 PolarHBondContact O-N 3.27Å; S232-T236 PolarHBondContact O-OG1 2.96Å; W233-T236 PolarHBondContact O-N 3.43Å; W233-T236 PolarHBondContact O-OG1 3.08Å; T236-P238 VanDerWaalsContact C-CD 3.49Å; T236-V239 PolarHBondContact O-N 3.47Å; T236-V239 VanDerWaalsContact O-N 3.11Å; T236-D240 PolarHBondContact O-N 2.72Å |
| 237 | Y | 82.6 | Confident | 79.2 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.4 | -43.7 | -173.8 | -161 | -108.9 | 0 | 0 | 0 | 114.4 | W233 V239 D240 V241 F276 R278 G279 L280 T283 | W233-Y237 WeakPolarHBondContact O-CA 3.48Å; W233-Y237 WeakPolarHBondContact O-CB 3.35Å; W233-Y237 PolarHBondContact O-N 3.31Å; Y237-V239 VanDerWaalsContact C-N 3.3Å; Y237-V239 PolarHBondContact O-N 3.19Å; Y237-D240 WeakPolarHBondContact O-CB 3.36Å; Y237-D240 PolarHBondContact O-N 3.45Å; Y237-D240 VanDerWaalsContact O-N 3.14Å; Y237-V241 HydrophobicContact CD1-CG2 4.19Å; Y237-V241 HydrophobicContact CE1-CG2 3.69Å; Y237-V241 WeakPolarHBondContact O-CG2 3.16Å; Y237-V241 PolarHBondContact O-N 3.2Å; Y237-F276 WeakPolarHBondContact CD1-O 3.27Å; Y237-F276 WeakPolarHBondContact CE1-O 2.9Å; Y237-R278 PolarHBondContact OH-O 3.47Å; Y237-G279 WeakPolarHBondContact OH-CA 3.29Å; Y237-G279 PolarHBondContact OH-N 3.47Å; Y237-G279 PolarHBondContact OH-O 2.92Å; Y237-L280 HydrophobicContact CD1-CB 4Å; Y237-L280 HydrophobicContact CD1-CD1 3.94Å; Y237-L280 HydrophobicContact CD1-CG 4.41Å; Y237-L280 HydrophobicContact CD2-CD1 3.75Å; Y237-L280 HydrophobicContact CE1-CB 3.67Å; Y237-L280 HydrophobicContact CE1-CD1 4.38Å; Y237-L280 HydrophobicContact CE2-CB 4.3Å; Y237-L280 HydrophobicContact CE2-CD1 4.19Å; Y237-L280 HydrophobicContact CG-CB 4.48Å; Y237-L280 HydrophobicContact CG-CD1 3.65Å; Y237-L280 VanDerWaalsContact CZ-CA 3.46Å; Y237-L280 VanDerWaalsContact CZ-N 3.27Å; Y237-L280 PolarHBondContact OH-N 3.14Å; Y237-T283 HydrophobicContact CE2-CG2 4.45Å; Y237-T283 WeakPolarHBondContact CE2-OG1 3.39Å |
| 238 | P | 82.5 | Confident | 78.6 | Confident | 52 Ų | 52 | 25.7 Ų | 25.7 | 34% | 0.338 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -61 | -39.9 | 178.6 | -23 | 34.4 | 0 | 0 | 0 | 112.6 | T236 D240 V241 I242 F276 | T236-P238 VanDerWaalsContact C-CD 3.49Å; P238-D240 VanDerWaalsContact C-N 3.33Å; P238-V241 PolarHBondContact O-N 2.67Å; P238-I242 WeakPolarHBondContact O-CD1 3.37Å; P238-I242 VanDerWaalsContact O-CG1 3.3Å; P238-I242 WeakPolarHBondContact O-CG1 3.48Å; P238-I242 PolarHBondContact O-N 3.44Å; P238-F276 HydrophobicContact CB-CD1 4.02Å |
| 239 | V | 82.1 | Confident | 78.2 | Confident | 29 Ų | 29 | 26.1 Ų | 26.1 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.6 | -37.4 | 177.6 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | L188 R189 T236 Y237 I242 K243 | L188-V239 HydrophobicContact CB-CG1 4.45Å; L188-V239 HydrophobicContact CD2-CG1 4.13Å; L188-V239 HydrophobicContact CD2-CG2 4.45Å; R189-V239 HydrophobicContact CB-CB 4.42Å; R189-V239 HydrophobicContact CB-CG1 3.86Å; T236-V239 PolarHBondContact O-N 3.47Å; T236-V239 VanDerWaalsContact O-N 3.11Å; Y237-V239 VanDerWaalsContact C-N 3.3Å; Y237-V239 PolarHBondContact O-N 3.19Å; V239-I242 PolarHBondContact O-N 2.95Å; V239-K243 WeakPolarHBondContact O-CB 3.46Å; V239-K243 PolarHBondContact O-N 3.21Å |
| 240 | D | 80.1 | Confident | 77.6 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | 177.3 | -164.7 | 68.2 | 0 | 0 | 0 | 112.4 | K51 R189 T236 Y237 P238 K243 S244 | K51-D240 WeakPolarHBondContact CE-OD2 3.34Å; K51-D240 IonicContact NZ-OD2 3.54Å; K51-D240 PolarHBondContact NZ-OD2 3.26Å; R189-D240 WeakPolarHBondContact CD-OD1 3.5Å; R189-D240 IonicContact CZ-OD1 2.96Å; R189-D240 IonicContact NE-OD1 3.52Å; R189-D240 IonicContact NH1-OD1 2.86Å; R189-D240 PolarHBondContact NH1-OD1 3.38Å; T236-D240 PolarHBondContact O-N 2.72Å; Y237-D240 WeakPolarHBondContact O-CB 3.36Å; Y237-D240 PolarHBondContact O-N 3.45Å; Y237-D240 VanDerWaalsContact O-N 3.14Å; P238-D240 VanDerWaalsContact C-N 3.33Å; D240-K243 PolarHBondContact O-N 3.28Å; D240-S244 PolarHBondContact O-N 3.28Å; D240-S244 PolarHBondContact O-OG 2.93Å |
| 241 | V | 78.7 | Confident | 76.6 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | Y237 P238 S244 R245 | Y237-V241 HydrophobicContact CD1-CG2 4.19Å; Y237-V241 HydrophobicContact CE1-CG2 3.69Å; Y237-V241 WeakPolarHBondContact O-CG2 3.16Å; Y237-V241 PolarHBondContact O-N 3.2Å; P238-V241 PolarHBondContact O-N 2.67Å; V241-S244 PolarHBondContact O-N 3.06Å; V241-R245 WeakPolarHBondContact O-CG 3.25Å; V241-R245 PolarHBondContact O-N 2.88Å |
| 242 | I | 80.6 | Confident | 75.3 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 178 | -61.4 | 158.6 | 0 | 0 | 0 | 110.5 | P238 V239 R245 L246 I260 V264 F276 | P238-I242 WeakPolarHBondContact O-CD1 3.37Å; P238-I242 VanDerWaalsContact O-CG1 3.3Å; P238-I242 WeakPolarHBondContact O-CG1 3.48Å; P238-I242 PolarHBondContact O-N 3.44Å; V239-I242 PolarHBondContact O-N 2.95Å; I242-R245 PolarHBondContact O-N 3.42Å; I242-L246 WeakPolarHBondContact O-CB 3.46Å; I242-L246 PolarHBondContact O-N 2.85Å; I242-I260 HydrophobicContact CG2-CG2 3.91Å; I242-V264 HydrophobicContact CD1-CG2 3.42Å; I242-V264 VanDerWaalsContact CD1-CG2 3.42Å; I242-V264 HydrophobicContact CG1-CG2 3.83Å; I242-V264 HydrophobicContact CG2-CG2 4.27Å; I242-F276 HydrophobicContact CD1-CE1 4.07Å; I242-F276 HydrophobicContact CG1-CE1 3.97Å |
| 243 | K | 78.7 | Confident | 74.1 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.5 | -52.1 | 174.7 | 175.9 | -179 | 169.1 | 164.3 | 0 | 110.5 | E139 T186 V239 D240 R245 L246 Q247 | E139-K243 IonicContact OE2-NZ 3.48Å; E139-K243 PolarHBondContact OE2-NZ 3.01Å; T186-K243 WeakPolarHBondContact OG1-CD 3.25Å; T186-K243 WeakPolarHBondContact OG1-CE 3.35Å; T186-K243 PolarHBondContact OG1-NZ 2.81Å; V239-K243 WeakPolarHBondContact O-CB 3.46Å; V239-K243 PolarHBondContact O-N 3.21Å; D240-K243 PolarHBondContact O-N 3.28Å; K243-R245 VanDerWaalsContact C-N 3.33Å; K243-R245 PolarHBondContact O-N 2.78Å; K243-L246 PolarHBondContact O-N 3.36Å; K243-Q247 VanDerWaalsContact CE-NE2 3.29Å; K243-Q247 HydrophobicContact CG-CG 4.36Å; K243-Q247 WeakPolarHBondContact O-CB 3.22Å; K243-Q247 WeakPolarHBondContact O-CG 3.46Å; K243-Q247 PolarHBondContact O-N 3.22Å |
| 244 | S | 73.8 | Confident | 73.3 | Confident | 29 Ų | 29 | 33 Ų | 33 | 20% | 0.203 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | -179.9 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | Q55 D240 V241 Q247 A248 | Q55-S244 PolarHBondContact OE1-OG 3.02Å; D240-S244 PolarHBondContact O-N 3.28Å; D240-S244 PolarHBondContact O-OG 2.93Å; V241-S244 PolarHBondContact O-N 3.06Å; S244-Q247 PolarHBondContact O-N 2.88Å; S244-A248 VanDerWaalsContact O-CB 3.29Å; S244-A248 WeakPolarHBondContact O-CB 3.39Å; S244-A248 PolarHBondContact O-N 3.27Å |
| 245 | R | 75.7 | Confident | 72.4 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 18% | 0.177 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 177.4 | -74 | -175 | 174.6 | -126.6 | -17 | 112.8 | V241 I242 K243 A248 D249 S267 E271 | V241-R245 WeakPolarHBondContact O-CG 3.25Å; V241-R245 PolarHBondContact O-N 2.88Å; I242-R245 PolarHBondContact O-N 3.42Å; K243-R245 VanDerWaalsContact C-N 3.33Å; K243-R245 PolarHBondContact O-N 2.78Å; R245-A248 PolarHBondContact O-N 3.35Å; R245-D249 PolarHBondContact O-N 3.02Å; R245-S267 WeakPolarHBondContact CD-OG 3.3Å; R245-S267 PolarHBondContact NH1-OG 3.43Å; R245-S267 VanDerWaalsContact NH1-OG 3.14Å; R245-E271 IonicContact CZ-OE1 3.2Å; R245-E271 IonicContact CZ-OE2 3.96Å; R245-E271 IonicContact NH1-OE1 2.76Å; R245-E271 PolarHBondContact NH1-OE1 2.86Å; R245-E271 IonicContact NH2-OE1 2.75Å; R245-E271 PolarHBondContact NH2-OE1 3.4Å; R245-E271 IonicContact NH2-OE2 2.93Å; R245-E271 PolarHBondContact NH2-OE2 2.87Å |
| 246 | L | 75.3 | Confident | 71.6 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -36.6 | 178.2 | -166.6 | 69.8 | 0 | 0 | 0 | 111.7 | R181 T185 I242 K243 A248 D249 I260 | R181-L246 HydrophobicContact CG-CD2 4.46Å; R181-L246 HydrophobicContact CG-CG 4.29Å; T185-L246 HydrophobicContact CG2-CD2 4.28Å; I242-L246 WeakPolarHBondContact O-CB 3.46Å; I242-L246 PolarHBondContact O-N 2.85Å; K243-L246 PolarHBondContact O-N 3.36Å; L246-A248 VanDerWaalsContact C-N 3.33Å; L246-D249 WeakPolarHBondContact O-CB 3.13Å; L246-D249 PolarHBondContact O-N 3.39Å; L246-I260 HydrophobicContact CD2-CG1 4.16Å |
| 247 | Q | 68.3 | Low | 71.1 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.5 | -27.6 | 173.1 | -72 | -174.8 | -26.4 | 0 | 0 | 112.4 | L140 R144 M147 K243 S244 | L140-Q247 HydrophobicContact CD1-CB 4.32Å; L140-Q247 HydrophobicContact CD1-CG 4.09Å; R144-Q247 PolarHBondContact NE-O 3.49Å; R144-Q247 VanDerWaalsContact NE-O 3.11Å; R144-Q247 PolarHBondContact NH1-O 2.97Å; R144-Q247 PolarHBondContact NH2-O 3.27Å; M147-Q247 WeakPolarHBondContact CE-O 3.36Å; K243-Q247 VanDerWaalsContact CE-NE2 3.29Å; K243-Q247 HydrophobicContact CG-CG 4.36Å; K243-Q247 WeakPolarHBondContact O-CB 3.22Å; K243-Q247 WeakPolarHBondContact O-CG 3.46Å; K243-Q247 PolarHBondContact O-N 3.22Å; S244-Q247 PolarHBondContact O-N 2.88Å |
| 248 | A | 67.4 | Low | 70.4 | Confident | 35 Ų | 35 | 41 Ų | 41 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.8 | -27.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R144 M147 S244 R245 L246 G250 V251 | R144-A248 PolarHBondContact NH1-O 3.46Å; R144-A248 VanDerWaalsContact NH1-O 3.12Å; M147-A248 HydrophobicContact CE-CB 4.17Å; M147-A248 VanDerWaalsContact SD-CA 3.54Å; M147-A248 HydrophobicContact SD-CB 3.45Å; M147-A248 WeakPolarHBondContact SD-CB 3.02Å; S244-A248 VanDerWaalsContact O-CB 3.29Å; S244-A248 WeakPolarHBondContact O-CB 3.39Å; S244-A248 PolarHBondContact O-N 3.27Å; R245-A248 PolarHBondContact O-N 3.35Å; L246-A248 VanDerWaalsContact C-N 3.33Å; A248-G250 PolarHBondContact O-N 3.46Å; A248-V251 WeakPolarHBondContact O-CG2 3.43Å; A248-V251 PolarHBondContact O-N 3.49Å |
| 249 | D | 67.4 | Low | 70.1 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 127.6 | -176.3 | -169.3 | 33.3 | 0 | 0 | 0 | 112.9 | R144 R181 R245 L246 K256 Y257 | R144-D249 VanDerWaalsContact NH1-C 3.26Å; R144-D249 PolarHBondContact NH1-O 3.24Å; R144-D249 PolarHBondContact NH2-O 3.1Å; R181-D249 IonicContact CZ-OD2 3.67Å; R181-D249 IonicContact NH2-OD2 3.93Å; R181-D249 PolarHBondContact NH2-OD2 2.86Å; R245-D249 PolarHBondContact O-N 3.02Å; L246-D249 WeakPolarHBondContact O-CB 3.13Å; L246-D249 PolarHBondContact O-N 3.39Å; D249-K256 VanDerWaalsContact CG-N 3.35Å; D249-K256 WeakPolarHBondContact OD1-CA 2.96Å; D249-K256 WeakPolarHBondContact OD1-CB 3.36Å; D249-K256 PolarHBondContact OD1-N 2.9Å; D249-K256 PolarHBondContact OD2-N 3.43Å; D249-Y257 HydrophobicContact CB-CD2 3.7Å; D249-Y257 HydrophobicContact CB-CE2 4.27Å; D249-Y257 PolarHBondContact OD2-N 3.19Å |
| 250 | G | 62.4 | Low | 69.9 | Low | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | -7.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A248 G252 G253 | A248-G250 PolarHBondContact O-N 3.46Å; G250-G252 PolarHBondContact O-N 3.43Å; G250-G252 VanDerWaalsContact O-N 3.11Å; G250-G253 PolarHBondContact O-N 3Å |
| 251 | V | 58.4 | Low | 69.9 | Low | 55 Ų | 55 | 46.3 Ų | 46.3 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 110.3 | 165.2 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | R144 M147 M159 A248 | R144-V251 VanDerWaalsContact NH1-CG2 3.35Å; M147-V251 HydrophobicContact CE-CG2 3.97Å; M147-V251 HydrophobicContact SD-CG2 4.45Å; M159-V251 HydrophobicContact CE-CG1 3.75Å; A248-V251 WeakPolarHBondContact O-CG2 3.43Å; A248-V251 PolarHBondContact O-N 3.49Å |
| 252 | G | 56 | Low | 70.1 | Confident | 56 Ų | 56 | 48.3 Ų | 48.3 | 58% | 0.577 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.3 | -0.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G250 | G250-G252 PolarHBondContact O-N 3.43Å; G250-G252 VanDerWaalsContact O-N 3.11Å |
| 253 | G | 56.2 | Low | 70.1 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 86.3 | 3.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116 | G250 | G250-G253 PolarHBondContact O-N 3Š|
| 254 | V | 62.5 | Low | 70.3 | Confident | 107 Ų | 107 | 48.9 Ų | 48.9 | 65% | 0.648 | 32% | 0.319 | S | S | * | . | trans | -119.2 | 128.7 | 174.3 | -169.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 255 | N | 65.8 | Low | 70.8 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | trans | -86.7 | 116.1 | 174.6 | -71.2 | -26.5 | 0 | 0 | 0 | 109.2 | E174 R181 | E174-N255 PolarHBondContact OE1-OD1 3Å; R181-N255 PolarHBondContact NH1-ND2 3.14Å; R181-N255 PolarHBondContact NH1-OD1 2.96Å | ||
| 256 | K | 67.2 | Low | 71.1 | Confident | 147 Ų | 147 | 55 Ų | 55 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | trans | -88.4 | -21.3 | 178.5 | -70.8 | -177.7 | 174.3 | 178.2 | 0 | 113.4 | D249 Q266 | D249-K256 VanDerWaalsContact CG-N 3.35Å; D249-K256 WeakPolarHBondContact OD1-CA 2.96Å; D249-K256 WeakPolarHBondContact OD1-CB 3.36Å; D249-K256 PolarHBondContact OD1-N 2.9Å; D249-K256 PolarHBondContact OD2-N 3.43Å; K256-Q266 PolarHBondContact O-NE2 2.91Å | ||
| 257 | Y | 72.4 | Confident | 71.5 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -122.6 | 120.7 | -176.6 | -53 | -63 | 0 | 0 | 0 | 112.5 | R181 D249 C263 Q266 | R181-Y257 PolarHBondContact NH2-O 3.22Å; D249-Y257 HydrophobicContact CB-CD2 3.7Å; D249-Y257 HydrophobicContact CB-CE2 4.27Å; D249-Y257 PolarHBondContact OD2-N 3.19Å; Y257-C263 HydrophobicContact CD1-CB 3.94Å; Y257-C263 HydrophobicContact CD2-CB 4.32Å; Y257-C263 HydrophobicContact CE1-CB 4.49Å; Y257-C263 HydrophobicContact CG-CB 3.84Å; Y257-Q266 HydrophobicContact CD1-CB 4.42Å; Y257-Q266 HydrophobicContact CE1-CB 3.96Å | ||
| 258 | G | 67.1 | Low | 72.2 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 74% | 0.742 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -78.5 | -27.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D262 | G258-D262 PolarHBondContact N-OD2 3.04Š|
| 259 | S | 75.1 | Confident | 72.9 | Confident | 59 Ų | 59 | 61.6 Ų | 61.6 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -152.6 | 169.6 | -178.3 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | A261 D262 C263 | S259-A261 VanDerWaalsContact C-N 3.31Å; S259-A261 PolarHBondContact O-N 3.35Å; S259-D262 PolarHBondContact O-N 2.85Å; S259-D262 VanDerWaalsContact OG-CB 3.3Å; S259-D262 WeakPolarHBondContact OG-CB 3.45Å; S259-D262 PolarHBondContact OG-N 3.23Å; S259-D262 VanDerWaalsContact OG-N 3.08Å; S259-C263 PolarHBondContact O-N 3.39Å |
| 260 | I | 78.1 | Confident | 73.5 | Confident | 65 Ų | 65 | 68 Ų | 68 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.2 | -58.9 | 166.7 | 0 | 0 | 0 | 110.1 | V184 T185 I242 L246 D262 C263 V264 | V184-I260 HydrophobicContact CB-CD1 4.43Å; V184-I260 HydrophobicContact CG1-CD1 4.23Å; T185-I260 HydrophobicContact CG2-CD1 3.49Å; T185-I260 VanDerWaalsContact CG2-CD1 3.49Å; T185-I260 HydrophobicContact CG2-CG1 3.71Å; T185-I260 HydrophobicContact CG2-CG2 4.08Å; I242-I260 HydrophobicContact CG2-CG2 3.91Å; L246-I260 HydrophobicContact CD2-CG1 4.16Å; I260-D262 VanDerWaalsContact C-N 3.35Å; I260-D262 PolarHBondContact O-N 2.95Å; I260-C263 WeakPolarHBondContact O-CB 3.37Å; I260-C263 PolarHBondContact O-N 3.47Å; I260-V264 WeakPolarHBondContact O-CG2 3.29Å; I260-V264 PolarHBondContact O-N 3.39Å |
| 261 | A | 80.6 | Confident | 74.2 | Confident | 73 Ų | 73 | 70 Ų | 70 | 60% | 0.603 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.9 | -38 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S259 V264 R265 | S259-A261 VanDerWaalsContact C-N 3.31Å; S259-A261 PolarHBondContact O-N 3.35Å; A261-V264 PolarHBondContact O-N 3.49Å; A261-R265 WeakPolarHBondContact O-CB 3.24Å; A261-R265 PolarHBondContact O-N 3.38Å |
| 262 | D | 83.1 | Confident | 75.3 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 175 | -179.1 | 30.6 | 0 | 0 | 0 | 111.6 | G258 S259 I260 V264 R265 Q266 | G258-D262 PolarHBondContact N-OD2 3.04Å; S259-D262 PolarHBondContact O-N 2.85Å; S259-D262 VanDerWaalsContact OG-CB 3.3Å; S259-D262 WeakPolarHBondContact OG-CB 3.45Å; S259-D262 PolarHBondContact OG-N 3.23Å; S259-D262 VanDerWaalsContact OG-N 3.08Å; I260-D262 VanDerWaalsContact C-N 3.35Å; I260-D262 PolarHBondContact O-N 2.95Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 3.47Å; D262-R265 PolarHBondContact O-N 2.83Å; D262-Q266 WeakPolarHBondContact O-CB 3.41Å; D262-Q266 PolarHBondContact O-N 3.44Å; D262-Q266 PolarHBondContact OD1-NE2 3.28Å; D262-Q266 PolarHBondContact OD2-NE2 2.88Å |
| 263 | C | 80.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | Y257 S259 I260 S267 | Y257-C263 HydrophobicContact CD1-CB 3.94Å; Y257-C263 HydrophobicContact CD2-CB 4.32Å; Y257-C263 HydrophobicContact CE1-CB 4.49Å; Y257-C263 HydrophobicContact CG-CB 3.84Å; S259-C263 PolarHBondContact O-N 3.39Å; I260-C263 WeakPolarHBondContact O-CB 3.37Å; I260-C263 PolarHBondContact O-N 3.47Å; C263-S267 WeakPolarHBondContact O-CB 3.44Å; C263-S267 PolarHBondContact O-N 2.91Å; C263-S267 PolarHBondContact O-OG 3.07Å |
| 264 | V | 83.2 | Confident | 77.2 | Confident | 40 Ų | 40 | 83 Ų | 83 | 24% | 0.242 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.1 | -49.7 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | I242 I260 A261 D262 S267 L268 F276 | I242-V264 HydrophobicContact CD1-CG2 3.42Å; I242-V264 VanDerWaalsContact CD1-CG2 3.42Å; I242-V264 HydrophobicContact CG1-CG2 3.83Å; I242-V264 HydrophobicContact CG2-CG2 4.27Å; I260-V264 WeakPolarHBondContact O-CG2 3.29Å; I260-V264 PolarHBondContact O-N 3.39Å; A261-V264 PolarHBondContact O-N 3.49Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 3.47Å; V264-S267 PolarHBondContact O-N 3.14Å; V264-L268 HydrophobicContact CG1-CD1 3.89Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.35Å; V264-F276 HydrophobicContact CG1-CZ 4.4Å |
| 265 | R | 84.6 | Confident | 77.8 | Confident | 168 Ų | 168 | 78.1 Ų | 78.1 | 63% | 0.634 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.3 | -48.7 | -178 | -173.2 | 176.5 | -177.2 | 149.1 | 0.4 | 111.9 | A261 D262 S267 L268 Q269 | A261-R265 WeakPolarHBondContact O-CB 3.24Å; A261-R265 PolarHBondContact O-N 3.38Å; D262-R265 PolarHBondContact O-N 2.83Å; R265-S267 PolarHBondContact O-N 3.38Å; R265-L268 PolarHBondContact O-N 3.08Å; R265-Q269 WeakPolarHBondContact O-CB 3.34Å; R265-Q269 WeakPolarHBondContact O-CG 3.23Å; R265-Q269 PolarHBondContact O-N 2.99Å |
| 266 | Q | 82.6 | Confident | 78.3 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 178.2 | -76.4 | -171.2 | 51.2 | 0 | 0 | 112.5 | K256 Y257 D262 Q269 K270 | K256-Q266 PolarHBondContact O-NE2 2.91Å; Y257-Q266 HydrophobicContact CD1-CB 4.42Å; Y257-Q266 HydrophobicContact CE1-CB 3.96Å; D262-Q266 WeakPolarHBondContact O-CB 3.41Å; D262-Q266 PolarHBondContact O-N 3.44Å; D262-Q266 PolarHBondContact OD1-NE2 3.28Å; D262-Q266 PolarHBondContact OD2-NE2 2.88Å; Q266-Q269 PolarHBondContact O-N 3.37Å; Q266-K270 WeakPolarHBondContact O-CB 3.44Å; Q266-K270 WeakPolarHBondContact O-CG 3.24Å; Q266-K270 PolarHBondContact O-N 2.72Å; Q266-K270 VanDerWaalsContact OE1-NZ 3.11Å |
| 267 | S | 82.1 | Confident | 78.7 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.028 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 177.6 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | R245 C263 V264 R265 E271 | R245-S267 WeakPolarHBondContact CD-OG 3.3Å; R245-S267 PolarHBondContact NH1-OG 3.43Å; R245-S267 VanDerWaalsContact NH1-OG 3.14Å; C263-S267 WeakPolarHBondContact O-CB 3.44Å; C263-S267 PolarHBondContact O-N 2.91Å; C263-S267 PolarHBondContact O-OG 3.07Å; V264-S267 PolarHBondContact O-N 3.14Å; R265-S267 PolarHBondContact O-N 3.38Å; S267-E271 PolarHBondContact O-N 2.92Å |
| 268 | L | 84.3 | Confident | 78.5 | Confident | 52 Ų | 52 | 75.9 Ų | 75.9 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 173.8 | -83.8 | 167.8 | 0 | 0 | 0 | 112.3 | V264 R265 G272 Y273 F276 | V264-L268 HydrophobicContact CG1-CD1 3.89Å; V264-L268 WeakPolarHBondContact O-CB 3.45Å; V264-L268 WeakPolarHBondContact O-CG 3.43Å; V264-L268 PolarHBondContact O-N 3.35Å; R265-L268 PolarHBondContact O-N 3.08Å; L268-G272 WeakPolarHBondContact O-CA 3.37Å; L268-G272 PolarHBondContact O-N 3.43Å; L268-Y273 HydrophobicContact CD2-CD1 3.65Å; L268-Y273 HydrophobicContact CD2-CD2 4.46Å; L268-Y273 HydrophobicContact CD2-CE1 3.65Å; L268-Y273 HydrophobicContact CD2-CE2 4.44Å; L268-Y273 HydrophobicContact CD2-CG 4.08Å; L268-F276 HydrophobicContact CD1-CE2 4.47Å; L268-F276 HydrophobicContact CD2-CD2 4.5Å; L268-F276 HydrophobicContact CD2-CE2 3.63Å; L268-F276 HydrophobicContact CD2-CZ 4.48Å; L268-F276 HydrophobicContact CG-CE2 3.84Å; L268-F276 HydrophobicContact CG-CZ 4.22Å |
| 269 | Q | 82.4 | Confident | 78.6 | Confident | 138 Ų | 138 | 73.2 Ų | 73.2 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.6 | -34.2 | -179.3 | -75.5 | -179.8 | -20.9 | 0 | 0 | 113.2 | R265 Q266 | R265-Q269 WeakPolarHBondContact O-CB 3.34Å; R265-Q269 WeakPolarHBondContact O-CG 3.23Å; R265-Q269 PolarHBondContact O-N 2.99Å; Q266-Q269 PolarHBondContact O-N 3.37Å |
| 270 | K | 80 | Confident | 78.7 | Confident | 143 Ų | 143 | 71.9 Ų | 71.9 | 62% | 0.622 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -87.8 | -38.8 | -177.3 | -70.6 | 173.1 | 178.2 | 163.9 | 0 | 113.7 | Q266 | Q266-K270 WeakPolarHBondContact O-CB 3.44Å; Q266-K270 WeakPolarHBondContact O-CG 3.24Å; Q266-K270 PolarHBondContact O-N 2.72Å; Q266-K270 VanDerWaalsContact OE1-NZ 3.11Å |
| 271 | E | 75.6 | Confident | 78.5 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 23% | 0.229 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -124.5 | -6.5 | -169.9 | -70.4 | 176.8 | -111 | 0 | 0 | 114 | V59 R245 S267 V275 R278 | V59-E271 HydrophobicContact CG1-CG 4.02Å; V59-E271 HydrophobicContact CG2-CG 4.41Å; V59-E271 WeakPolarHBondContact CG2-OE1 3.38Å; V59-E271 WeakPolarHBondContact CG2-OE2 3.5Å; R245-E271 IonicContact CZ-OE1 3.2Å; R245-E271 IonicContact CZ-OE2 3.96Å; R245-E271 IonicContact NH1-OE1 2.76Å; R245-E271 PolarHBondContact NH1-OE1 2.86Å; R245-E271 IonicContact NH2-OE1 2.75Å; R245-E271 PolarHBondContact NH2-OE1 3.4Å; R245-E271 IonicContact NH2-OE2 2.93Å; R245-E271 PolarHBondContact NH2-OE2 2.87Å; S267-E271 PolarHBondContact O-N 2.92Å; E271-V275 HydrophobicContact CB-CB 3.95Å; E271-V275 HydrophobicContact CB-CG2 3.7Å; E271-V275 HydrophobicContact CG-CG2 4.29Å; E271-V275 WeakPolarHBondContact OE2-CG2 3.42Å; E271-R278 IonicContact OE2-NH1 3.25Å |
| 272 | G | 82.1 | Confident | 77.8 | Confident | 24 Ų | 24 | 69.9 Ų | 69.9 | 25% | 0.247 | 33% | 0.327 | C | S | . | . | trans | 68.5 | -167.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L268 R274 V275 | L268-G272 WeakPolarHBondContact O-CA 3.37Å; L268-G272 PolarHBondContact O-N 3.43Å; G272-R274 VanDerWaalsContact C-N 3.28Å; G272-R274 PolarHBondContact O-N 2.98Å; G272-V275 WeakPolarHBondContact O-CB 3.33Å; G272-V275 PolarHBondContact O-N 2.96Å | ||
| 273 | Y | 77.3 | Confident | 77.3 | Confident | 188 Ų | 188 | 67.4 Ų | 67.4 | 74% | 0.737 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -69.1 | -21.6 | -176.5 | -67.2 | -81.5 | 0 | 0 | 0 | 114.3 | L268 V275 F276 | L268-Y273 HydrophobicContact CD2-CD1 3.65Å; L268-Y273 HydrophobicContact CD2-CD2 4.46Å; L268-Y273 HydrophobicContact CD2-CE1 3.65Å; L268-Y273 HydrophobicContact CD2-CE2 4.44Å; L268-Y273 HydrophobicContact CD2-CG 4.08Å; Y273-V275 PolarHBondContact O-N 3.29Å; Y273-V275 VanDerWaalsContact O-N 3.15Å; Y273-F276 PolarHBondContact O-N 3.39Å |
| 274 | R | 74.6 | Confident | 77 | Confident | 217 Ų | 217 | 69.3 Ų | 69.3 | 82% | 0.819 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -64.4 | -17.4 | 177.1 | -73.2 | -174.9 | 174.7 | -164.8 | -1.1 | 112.9 | G272 F276 T277 R278 | G272-R274 VanDerWaalsContact C-N 3.28Å; G272-R274 PolarHBondContact O-N 2.98Å; R274-F276 PolarHBondContact O-N 2.88Å; R274-T277 PolarHBondContact O-N 3.24Å; R274-T277 PolarHBondContact O-OG1 3.29Å; R274-R278 PolarHBondContact O-N 3.18Å |
| 275 | V | 75.6 | Confident | 76.4 | Confident | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -63.2 | -33.5 | 177.1 | 97.4 | 0 | 0 | 0 | 0 | 112.2 | E271 G272 Y273 T277 R278 | E271-V275 HydrophobicContact CB-CB 3.95Å; E271-V275 HydrophobicContact CB-CG2 3.7Å; E271-V275 HydrophobicContact CG-CG2 4.29Å; E271-V275 WeakPolarHBondContact OE2-CG2 3.42Å; G272-V275 WeakPolarHBondContact O-CB 3.33Å; G272-V275 PolarHBondContact O-N 2.96Å; Y273-V275 PolarHBondContact O-N 3.29Å; Y273-V275 VanDerWaalsContact O-N 3.15Å; V275-T277 VanDerWaalsContact C-N 3.3Å; V275-T277 PolarHBondContact O-N 3.26Å; V275-R278 PolarHBondContact O-N 2.92Å |
| 276 | F | 75.8 | Confident | 75.7 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -77.8 | -12.2 | -178.6 | -63.1 | -72.3 | 0 | 0 | 0 | 113.4 | Y237 P238 I242 V264 L268 Y273 R274 | Y237-F276 WeakPolarHBondContact CD1-O 3.27Å; Y237-F276 WeakPolarHBondContact CE1-O 2.9Å; P238-F276 HydrophobicContact CB-CD1 4.02Å; I242-F276 HydrophobicContact CD1-CE1 4.07Å; I242-F276 HydrophobicContact CG1-CE1 3.97Å; V264-F276 HydrophobicContact CG1-CZ 4.4Å; L268-F276 HydrophobicContact CD1-CE2 4.47Å; L268-F276 HydrophobicContact CD2-CD2 4.5Å; L268-F276 HydrophobicContact CD2-CE2 3.63Å; L268-F276 HydrophobicContact CD2-CZ 4.48Å; L268-F276 HydrophobicContact CG-CE2 3.84Å; L268-F276 HydrophobicContact CG-CZ 4.22Å; Y273-F276 PolarHBondContact O-N 3.39Å; R274-F276 PolarHBondContact O-N 2.88Å |
| 277 | T | 75.2 | Confident | 74.9 | Confident | 86 Ų | 86 | 63.1 Ų | 63.1 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -105.9 | -5.4 | 176.6 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | R274 V275 G279 L280 | R274-T277 PolarHBondContact O-N 3.24Å; R274-T277 PolarHBondContact O-OG1 3.29Å; V275-T277 VanDerWaalsContact C-N 3.3Å; V275-T277 PolarHBondContact O-N 3.26Å; T277-G279 PolarHBondContact O-N 2.71Å; T277-G279 VanDerWaalsContact O-N 3.09Å; T277-L280 VanDerWaalsContact O-CB 3.31Å; T277-L280 WeakPolarHBondContact O-CB 3.35Å; T277-L280 PolarHBondContact O-N 3.06Å; T277-L280 VanDerWaalsContact O-N 3.15Å |
| 278 | R | 69.2 | Low | 74.3 | Confident | 89 Ų | 89 | 68.9 Ų | 68.9 | 34% | 0.336 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 103.1 | -175.2 | -170 | 176.6 | 177.3 | 170.9 | 1.1 | 111.9 | Y237 E271 R274 V275 | Y237-R278 PolarHBondContact OH-O 3.47Å; E271-R278 IonicContact OE2-NH1 3.25Å; R274-R278 PolarHBondContact O-N 3.18Å; V275-R278 PolarHBondContact O-N 2.92Å |
| 279 | G | 69.3 | Low | 73.5 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | 1.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y237 T277 T281 S282 T283 | Y237-G279 WeakPolarHBondContact OH-CA 3.29Å; Y237-G279 PolarHBondContact OH-N 3.47Å; Y237-G279 PolarHBondContact OH-O 2.92Å; T277-G279 PolarHBondContact O-N 2.71Å; T277-G279 VanDerWaalsContact O-N 3.09Å; G279-T281 VanDerWaalsContact C-N 3.3Å; G279-T281 PolarHBondContact O-N 2.99Å; G279-S282 WeakPolarHBondContact O-CB 3.08Å; G279-S282 PolarHBondContact O-N 3.02Å; G279-S282 VanDerWaalsContact O-N 3.16Å; G279-T283 PolarHBondContact O-N 3.35Å; G279-T283 PolarHBondContact O-OG1 3.07Å; G279-T283 VanDerWaalsContact O-OG1 3.06Å |
| 280 | L | 75.9 | Confident | 72.6 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 179.1 | 177.3 | 60.3 | 0 | 0 | 0 | 110.2 | L234 Y237 T277 S282 T283 L284 | L234-L280 HydrophobicContact CD2-CD1 3.98Å; L234-L280 HydrophobicContact CD2-CD2 3.76Å; L234-L280 HydrophobicContact CD2-CG 4.36Å; Y237-L280 HydrophobicContact CD1-CB 4Å; Y237-L280 HydrophobicContact CD1-CD1 3.94Å; Y237-L280 HydrophobicContact CD1-CG 4.41Å; Y237-L280 HydrophobicContact CD2-CD1 3.75Å; Y237-L280 HydrophobicContact CE1-CB 3.67Å; Y237-L280 HydrophobicContact CE1-CD1 4.38Å; Y237-L280 HydrophobicContact CE2-CB 4.3Å; Y237-L280 HydrophobicContact CE2-CD1 4.19Å; Y237-L280 HydrophobicContact CG-CB 4.48Å; Y237-L280 HydrophobicContact CG-CD1 3.65Å; Y237-L280 VanDerWaalsContact CZ-CA 3.46Å; Y237-L280 VanDerWaalsContact CZ-N 3.27Å; Y237-L280 PolarHBondContact OH-N 3.14Å; T277-L280 VanDerWaalsContact O-CB 3.31Å; T277-L280 WeakPolarHBondContact O-CB 3.35Å; T277-L280 PolarHBondContact O-N 3.06Å; T277-L280 VanDerWaalsContact O-N 3.15Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 3.18Å; L280-T283 CarbonylContact O-C 3.59Å; L280-T283 WeakPolarHBondContact O-CA 3.4Å; L280-T283 WeakPolarHBondContact O-CB 3.18Å; L280-T283 PolarHBondContact O-N 3.12Å; L280-L284 HydrophobicContact CD1-CD1 4.13Å; L280-L284 HydrophobicContact CD1-CD2 4.29Å; L280-L284 HydrophobicContact CD1-CG 3.95Å; L280-L284 HydrophobicContact CD2-CD1 4.46Å; L280-L284 HydrophobicContact CG-CD1 3.88Å; L280-L284 HydrophobicContact CG-CG 4.15Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.34Å |
| 281 | T | 74.2 | Confident | 71.9 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 58% | 0.577 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.3 | -41.2 | 176.2 | -47 | 0 | 0 | 0 | 0 | 112.6 | G279 T283 L285 | G279-T281 VanDerWaalsContact C-N 3.3Å; G279-T281 PolarHBondContact O-N 2.99Å; T281-T283 VanDerWaalsContact C-N 3.26Å; T281-T283 PolarHBondContact O-N 2.9Å; T281-L285 WeakPolarHBondContact O-CB 3.12Å; T281-L285 PolarHBondContact O-N 2.96Å |
| 282 | S | 66.9 | Low | 71.3 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.7 | -30.9 | 176.9 | -169.8 | 0 | 0 | 0 | 0 | 112.3 | T67 G279 L280 R286 | T67-S282 WeakPolarHBondContact CG2-OG 3.49Å; G279-S282 WeakPolarHBondContact O-CB 3.08Å; G279-S282 PolarHBondContact O-N 3.02Å; G279-S282 VanDerWaalsContact O-N 3.16Å; L280-S282 VanDerWaalsContact C-N 3.29Å; L280-S282 PolarHBondContact O-N 3.18Å; S282-R286 WeakPolarHBondContact O-CB 3.45Å; S282-R286 PolarHBondContact O-N 2.59Å |
| 283 | T | 71.8 | Confident | 70.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -80.1 | -39.5 | -178.2 | -49.3 | 0 | 0 | 0 | 0 | 110.8 | W233 Y237 G279 L280 T281 R286 A287 | W233-T283 HydrophobicContact CD2-CG2 3.57Å; W233-T283 HydrophobicContact CE3-CG2 3.37Å; W233-T283 HydrophobicContact CG-CG2 4.14Å; W233-T283 HydrophobicContact CH2-CG2 4.23Å; W233-T283 HydrophobicContact CZ2-CG2 4.41Å; W233-T283 HydrophobicContact CZ3-CG2 3.73Å; Y237-T283 HydrophobicContact CE2-CG2 4.45Å; Y237-T283 WeakPolarHBondContact CE2-OG1 3.39Å; G279-T283 PolarHBondContact O-N 3.35Å; G279-T283 PolarHBondContact O-OG1 3.07Å; G279-T283 VanDerWaalsContact O-OG1 3.06Å; L280-T283 CarbonylContact O-C 3.59Å; L280-T283 WeakPolarHBondContact O-CA 3.4Å; L280-T283 WeakPolarHBondContact O-CB 3.18Å; L280-T283 PolarHBondContact O-N 3.12Å; T281-T283 VanDerWaalsContact C-N 3.26Å; T281-T283 PolarHBondContact O-N 2.9Å; T283-R286 WeakPolarHBondContact O-CB 3.41Å; T283-R286 PolarHBondContact O-N 3.01Å; T283-A287 PolarHBondContact O-N 3.48Å |
| 284 | L | 73.5 | Confident | 69.8 | Low | 41 Ų | 41 | 50.7 Ų | 50.7 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 173 | -64.8 | 179.1 | 0 | 0 | 0 | 111.7 | I230 L234 L280 R286 A287 | I230-L284 HydrophobicContact CB-CD2 4.33Å; I230-L284 HydrophobicContact CG1-CD2 4.38Å; I230-L284 HydrophobicContact CG2-CD2 3.76Å; L234-L284 HydrophobicContact CG-CD2 4.47Å; L280-L284 HydrophobicContact CD1-CD1 4.13Å; L280-L284 HydrophobicContact CD1-CD2 4.29Å; L280-L284 HydrophobicContact CD1-CG 3.95Å; L280-L284 HydrophobicContact CD2-CD1 4.46Å; L280-L284 HydrophobicContact CG-CD1 3.88Å; L280-L284 HydrophobicContact CG-CG 4.15Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.34Å; L284-R286 PolarHBondContact O-N 2.97Å; L284-A287 WeakPolarHBondContact O-CB 3.28Å; L284-A287 PolarHBondContact O-N 3.37Å; L284-A287 VanDerWaalsContact O-N 3.08Å |
| 285 | L | 72.4 | Confident | 69.1 | Low | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -32 | 175.9 | -164.6 | 78.5 | 0 | 0 | 0 | 111.8 | F47 F68 T281 P289 | F47-L285 HydrophobicContact CD1-CD2 4.45Å; F47-L285 HydrophobicContact CE1-CD2 3.85Å; F47-L285 HydrophobicContact CE1-CG 4.08Å; F68-L285 HydrophobicContact CZ-CD2 4.33Å; T281-L285 WeakPolarHBondContact O-CB 3.12Å; T281-L285 PolarHBondContact O-N 2.96Å; L285-P289 WeakPolarHBondContact O-CD 3.25Å |
| 286 | R | 69.9 | Low | 68.5 | Low | 41 Ų | 41 | 44.5 Ų | 44.5 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.1 | -34.1 | 173.5 | -173.4 | -176.3 | 92.4 | 102.3 | 19 | 112.9 | F47 D48 S282 T283 L284 F288 P289 V290 | F47-R286 HydrophobicContact CB-CB 3.64Å; F47-R286 HydrophobicContact CB-CG 3.49Å; F47-R286 VanDerWaalsContact CB-CG 3.49Å; F47-R286 HydrophobicContact CD1-CB 4.29Å; F47-R286 HydrophobicContact CD2-CB 4.39Å; F47-R286 HydrophobicContact CD2-CG 4.11Å; F47-R286 HydrophobicContact CG-CB 3.87Å; F47-R286 HydrophobicContact CG-CG 3.91Å; D48-R286 WeakPolarHBondContact OD1-CD 3.39Å; D48-R286 IonicContact OD1-CZ 3.03Å; D48-R286 IonicContact OD1-NE 3.89Å; D48-R286 IonicContact OD1-NH1 3.26Å; D48-R286 PolarHBondContact OD1-NH1 3.41Å; D48-R286 IonicContact OD2-NH1 2.85Å; S282-R286 WeakPolarHBondContact O-CB 3.45Å; S282-R286 PolarHBondContact O-N 2.59Å; T283-R286 WeakPolarHBondContact O-CB 3.41Å; T283-R286 PolarHBondContact O-N 3.01Å; L284-R286 PolarHBondContact O-N 2.97Å; R286-F288 VanDerWaalsContact C-N 3.3Å; R286-F288 PolarHBondContact O-N 3.38Å; R286-P289 WeakPolarHBondContact O-CD 3.44Å; R286-V290 HydrophobicContact CG-CG2 3.78Å; R286-V290 WeakPolarHBondContact O-CB 2.94Å; R286-V290 VanDerWaalsContact O-CG2 3.29Å; R286-V290 WeakPolarHBondContact O-CG2 3.11Å; R286-V290 PolarHBondContact O-N 2.83Å |
| 287 | A | 65.7 | Low | 67.8 | Low | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T283 L284 N291 | T283-A287 PolarHBondContact O-N 3.48Å; L284-A287 WeakPolarHBondContact O-CB 3.28Å; L284-A287 PolarHBondContact O-N 3.37Å; L284-A287 VanDerWaalsContact O-N 3.08Å; A287-N291 WeakPolarHBondContact O-CB 3.32Å; A287-N291 PolarHBondContact O-N 3.39Å; A287-N291 PolarHBondContact O-ND2 2.98Å; A287-N291 PolarHBondContact O-OD1 2.85Å |
| 288 | F | 68.4 | Low | 66.9 | Low | 126 Ų | 126 | 40.7 Ų | 40.7 | 55% | 0.553 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.4 | -55.6 | -179.5 | -80.1 | -82.5 | 0 | 0 | 0 | 113.9 | I230 R286 V290 N291 A292 | I230-F288 HydrophobicContact CD1-CE2 3.62Å; I230-F288 HydrophobicContact CD1-CZ 3.66Å; R286-F288 VanDerWaalsContact C-N 3.3Å; R286-F288 PolarHBondContact O-N 3.38Å; F288-V290 PolarHBondContact O-N 3.3Å; F288-N291 PolarHBondContact O-N 3.43Å; F288-A292 WeakPolarHBondContact O-CB 3.42Å; F288-A292 PolarHBondContact O-N 3.23Å |
| 289 | P | 68.6 | Low | 66.5 | Low | 42 Ų | 42 | 39 Ų | 39 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.9 | -24.9 | 33.8 | 0 | 0 | 0 | 113.7 | V43 F47 L285 R286 A292 T293 | V43-P289 HydrophobicContact CG1-CB 3.72Å; F47-P289 HydrophobicContact CE2-CB 4.07Å; F47-P289 HydrophobicContact CE2-CG 3.81Å; F47-P289 HydrophobicContact CZ-CG 3.82Å; L285-P289 WeakPolarHBondContact O-CD 3.25Å; R286-P289 WeakPolarHBondContact O-CD 3.44Å; P289-A292 PolarHBondContact O-N 3.24Å; P289-T293 WeakPolarHBondContact O-CB 3.49Å; P289-T293 PolarHBondContact O-N 2.9Å; P289-T293 PolarHBondContact O-OG1 3.04Å |
| 290 | V | 63.1 | Low | 66.1 | Low | 20 Ų | 20 | 43.9 Ų | 43.9 | 12% | 0.121 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | R286 F288 A292 T293 T294 | R286-V290 HydrophobicContact CG-CG2 3.78Å; R286-V290 WeakPolarHBondContact O-CB 2.94Å; R286-V290 VanDerWaalsContact O-CG2 3.29Å; R286-V290 WeakPolarHBondContact O-CG2 3.11Å; R286-V290 PolarHBondContact O-N 2.83Å; F288-V290 PolarHBondContact O-N 3.3Å; V290-A292 PolarHBondContact O-N 2.9Å; V290-T293 PolarHBondContact O-N 2.92Å; V290-T294 PolarHBondContact O-N 3.18Å; V290-T294 PolarHBondContact O-OG1 2.74Å |
| 291 | N | 65.5 | Low | 65.5 | Low | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.8 | -67.7 | -13.1 | 0 | 0 | 0 | 111 | A287 F288 T293 T294 F295 | A287-N291 WeakPolarHBondContact O-CB 3.32Å; A287-N291 PolarHBondContact O-N 3.39Å; A287-N291 PolarHBondContact O-ND2 2.98Å; A287-N291 PolarHBondContact O-OD1 2.85Å; F288-N291 PolarHBondContact O-N 3.43Å; N291-T293 VanDerWaalsContact C-N 3.29Å; N291-T293 PolarHBondContact O-N 3.13Å; N291-T294 PolarHBondContact O-N 3.44Å; N291-F295 WeakPolarHBondContact O-CD2 3.31Å; N291-F295 PolarHBondContact O-N 2.96Å |
| 292 | A | 62.6 | Low | 64.8 | Low | 49 Ų | 49 | 44 Ų | 44 | 41% | 0.405 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.9 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F288 P289 V290 F295 A296 | F288-A292 WeakPolarHBondContact O-CB 3.42Å; F288-A292 PolarHBondContact O-N 3.23Å; P289-A292 PolarHBondContact O-N 3.24Å; V290-A292 PolarHBondContact O-N 2.9Å; A292-F295 PolarHBondContact O-N 2.96Å; A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 3Å |
| 293 | T | 65.6 | Low | 64.5 | Low | 25 Ų | 25 | 49.8 Ų | 49.8 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | A39 V43 P289 V290 N291 F295 A296 T297 | A39-T293 HydrophobicContact CB-CG2 3.89Å; V43-T293 HydrophobicContact CB-CG2 4.15Å; V43-T293 WeakPolarHBondContact CB-OG1 3.45Å; V43-T293 WeakPolarHBondContact CG1-OG1 3.44Å; V43-T293 HydrophobicContact CG2-CG2 3.69Å; V43-T293 WeakPolarHBondContact CG2-OG1 3.24Å; P289-T293 WeakPolarHBondContact O-CB 3.49Å; P289-T293 PolarHBondContact O-N 2.9Å; P289-T293 PolarHBondContact O-OG1 3.04Å; V290-T293 PolarHBondContact O-N 2.92Å; N291-T293 VanDerWaalsContact C-N 3.29Å; N291-T293 PolarHBondContact O-N 3.13Å; T293-F295 VanDerWaalsContact C-N 3.33Å; T293-F295 PolarHBondContact O-N 3.3Å; T293-A296 PolarHBondContact O-N 2.87Å; T293-T297 WeakPolarHBondContact O-CB 3.45Å; T293-T297 PolarHBondContact O-N 3.47Å; T293-T297 PolarHBondContact O-OG1 2.97Å |
| 294 | T | 61.8 | Low | 64.2 | Low | 39 Ų | 39 | 56.4 Ų | 56.4 | 24% | 0.239 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 175.2 | -67 | 0 | 0 | 0 | 0 | 110.6 | F3 T36 V290 N291 T297 V298 | F3-T294 HydrophobicContact CE2-CG2 3.86Å; T36-T294 HydrophobicContact CG2-CG2 4.21Å; V290-T294 PolarHBondContact O-N 3.18Å; V290-T294 PolarHBondContact O-OG1 2.74Å; N291-T294 PolarHBondContact O-N 3.44Å; T294-T297 PolarHBondContact O-N 3.31Å; T294-V298 VanDerWaalsContact O-CG2 3.3Å; T294-V298 WeakPolarHBondContact O-CG2 3.41Å; T294-V298 PolarHBondContact O-N 3.01Å |
| 295 | F | 61.1 | Low | 63.6 | Low | 39 Ų | 39 | 55.9 Ų | 55.9 | 17% | 0.171 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.4 | -77.7 | -68.6 | 0 | 0 | 0 | 112.9 | L222 N291 A292 T293 T297 V298 T299 | L222-F295 HydrophobicContact CB-CD2 4.44Å; L222-F295 HydrophobicContact CB-CE2 4.48Å; L222-F295 HydrophobicContact CD1-CB 3.92Å; L222-F295 HydrophobicContact CD1-CD2 3.86Å; L222-F295 HydrophobicContact CD1-CG 3.97Å; L222-F295 HydrophobicContact CG-CD2 3.88Å; L222-F295 HydrophobicContact CG-CE2 4.22Å; L222-F295 HydrophobicContact CG-CG 4.38Å; N291-F295 WeakPolarHBondContact O-CD2 3.31Å; N291-F295 PolarHBondContact O-N 2.96Å; A292-F295 PolarHBondContact O-N 2.96Å; T293-F295 VanDerWaalsContact C-N 3.33Å; T293-F295 PolarHBondContact O-N 3.3Å; F295-T297 PolarHBondContact O-N 3.03Å; F295-V298 PolarHBondContact O-N 3.2Å; F295-T299 WeakPolarHBondContact O-CB 3.37Å; F295-T299 PolarHBondContact O-N 3.43Å; F295-T299 PolarHBondContact O-OG1 3.44Å; F295-T299 VanDerWaalsContact O-OG1 3.06Å |
| 296 | A | 61.7 | Low | 63 | Low | 52 Ų | 52 | 60.6 Ų | 60.6 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A292 T293 L300 | A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 3Å; T293-A296 PolarHBondContact O-N 2.87Å; A296-L300 WeakPolarHBondContact O-CB 3.24Å; A296-L300 VanDerWaalsContact O-CG 3.24Å; A296-L300 WeakPolarHBondContact O-CG 3.41Å; A296-L300 PolarHBondContact O-N 3.19Å |
| 297 | T | 61 | Low | 62.3 | Low | 24 Ų | 24 | 67.6 Ų | 67.6 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.4 | -42.7 | 179.7 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | T36 A39 T293 T294 F295 L300 F301 | T36-T297 HydrophobicContact CG2-CG2 4.08Å; T36-T297 WeakPolarHBondContact OG1-CG2 3.5Å; A39-T297 HydrophobicContact CB-CG2 4.33Å; A39-T297 WeakPolarHBondContact CB-OG1 3.43Å; T293-T297 WeakPolarHBondContact O-CB 3.45Å; T293-T297 PolarHBondContact O-N 3.47Å; T293-T297 PolarHBondContact O-OG1 2.97Å; T294-T297 PolarHBondContact O-N 3.31Å; F295-T297 PolarHBondContact O-N 3.03Å; T297-L300 PolarHBondContact O-N 3.14Å; T297-F301 VanDerWaalsContact O-CB 3.25Å; T297-F301 WeakPolarHBondContact O-CB 3.49Å; T297-F301 PolarHBondContact O-N 3.29Å |
| 298 | V | 56.9 | Low | 62 | Low | 17 Ų | 17 | 71.2 Ų | 71.2 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | F3 M10 T294 F295 F301 L302 | F3-V298 HydrophobicContact CE1-CG2 4.1Å; F3-V298 HydrophobicContact CE2-CG2 4.37Å; F3-V298 HydrophobicContact CZ-CG2 3.46Å; F3-V298 VanDerWaalsContact CZ-CG2 3.46Å; M10-V298 HydrophobicContact CE-CG1 4.01Å; M10-V298 HydrophobicContact SD-CG1 4.01Å; T294-V298 VanDerWaalsContact O-CG2 3.3Å; T294-V298 WeakPolarHBondContact O-CG2 3.41Å; T294-V298 PolarHBondContact O-N 3.01Å; F295-V298 PolarHBondContact O-N 3.2Å; V298-F301 PolarHBondContact O-N 3Å; V298-L302 HydrophobicContact CG1-CD1 3.8Å; V298-L302 HydrophobicContact CG1-CG 4.25Å; V298-L302 WeakPolarHBondContact O-CB 3.46Å; V298-L302 VanDerWaalsContact O-CG 3.32Å; V298-L302 WeakPolarHBondContact O-CG 3.23Å; V298-L302 PolarHBondContact O-N 3.41Å |
| 299 | T | 60.3 | Low | 61.4 | Low | 52 Ų | 52 | 71 Ų | 71 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 179.4 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | F295 F301 L302 M303 | F295-T299 WeakPolarHBondContact O-CB 3.37Å; F295-T299 PolarHBondContact O-N 3.43Å; F295-T299 PolarHBondContact O-OG1 3.44Å; F295-T299 VanDerWaalsContact O-OG1 3.06Å; T299-F301 VanDerWaalsContact C-N 3.27Å; T299-F301 PolarHBondContact O-N 2.9Å; T299-L302 PolarHBondContact O-N 2.95Å; T299-M303 HydrophobicContact CG2-CG 4.44Å; T299-M303 HydrophobicContact CG2-SD 4.05Å; T299-M303 WeakPolarHBondContact O-CB 3.44Å; T299-M303 VanDerWaalsContact O-CG 3.23Å; T299-M303 WeakPolarHBondContact O-CG 3.36Å; T299-M303 PolarHBondContact O-N 2.95Å |
| 300 | L | 61.9 | Low | 60.5 | Low | 120 Ų | 120 | 74.5 Ų | 74.5 | 63% | 0.628 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.3 | -38.3 | 177.1 | -73.4 | 172.1 | 0 | 0 | 0 | 111.9 | A296 T297 Y304 | A296-L300 WeakPolarHBondContact O-CB 3.24Å; A296-L300 VanDerWaalsContact O-CG 3.24Å; A296-L300 WeakPolarHBondContact O-CG 3.41Å; A296-L300 PolarHBondContact O-N 3.19Å; T297-L300 PolarHBondContact O-N 3.14Å; L300-Y304 WeakPolarHBondContact O-CB 3.39Å; L300-Y304 PolarHBondContact O-N 2.89Å |
| 301 | F | 62.8 | Low | 59.4 | Low | 40 Ų | 40 | 77.4 Ų | 77.4 | 18% | 0.175 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 176.9 | -177.6 | -93.5 | 0 | 0 | 0 | 112.3 | K28 S32 T297 V298 T299 M303 Y304 M305 | K28-F301 WeakPolarHBondContact O-CZ 3.18Å; S32-F301 VanDerWaalsContact CB-CE1 3.41Å; S32-F301 VanDerWaalsContact CB-CE2 3.5Å; S32-F301 WeakPolarHBondContact OG-CD1 3.3Å; S32-F301 WeakPolarHBondContact OG-CD2 3.46Å; S32-F301 WeakPolarHBondContact OG-CE1 3.04Å; S32-F301 WeakPolarHBondContact OG-CG 3.34Å; S32-F301 WeakPolarHBondContact OG-CZ 2.93Å; T297-F301 VanDerWaalsContact O-CB 3.25Å; T297-F301 WeakPolarHBondContact O-CB 3.49Å; T297-F301 PolarHBondContact O-N 3.29Å; V298-F301 PolarHBondContact O-N 3Å; T299-F301 VanDerWaalsContact C-N 3.27Å; T299-F301 PolarHBondContact O-N 2.9Å; F301-M303 VanDerWaalsContact C-N 3.34Å; F301-M303 PolarHBondContact O-N 3.31Å; F301-Y304 WeakPolarHBondContact O-CB 3.37Å; F301-Y304 PolarHBondContact O-N 3.37Å; F301-M305 HydrophobicContact CD1-CG 4.02Å; F301-M305 HydrophobicContact CE1-CG 3.47Å; F301-M305 VanDerWaalsContact CE1-CG 3.47Å; F301-M305 HydrophobicContact CE1-SD 4.25Å; F301-M305 HydrophobicContact CE2-CG 4.35Å; F301-M305 HydrophobicContact CZ-CG 3.64Å; F301-M305 HydrophobicContact CZ-SD 3.91Å; F301-M305 WeakPolarHBondContact O-CG 3.42Å; F301-M305 PolarHBondContact O-N 3.49Å |
| 302 | L | 58.8 | Low | 58.2 | Low | 87 Ų | 87 | 77.4 Ų | 77.4 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -39.7 | 176.8 | -69.7 | 174 | 0 | 0 | 0 | 111.5 | V298 T299 Y304 M305 R306 | V298-L302 HydrophobicContact CG1-CD1 3.8Å; V298-L302 HydrophobicContact CG1-CG 4.25Å; V298-L302 WeakPolarHBondContact O-CB 3.46Å; V298-L302 VanDerWaalsContact O-CG 3.32Å; V298-L302 WeakPolarHBondContact O-CG 3.23Å; V298-L302 PolarHBondContact O-N 3.41Å; T299-L302 PolarHBondContact O-N 2.95Å; L302-Y304 VanDerWaalsContact C-N 3.33Å; L302-M305 PolarHBondContact O-N 3.36Å; L302-R306 WeakPolarHBondContact O-CG 3.46Å; L302-R306 PolarHBondContact O-N 3.21Å |
| 303 | M | 62.1 | Low | 57.3 | Low | 122 Ų | 122 | 81.6 Ų | 81.6 | 60% | 0.601 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 173.4 | -70 | 178.9 | 87 | 0 | 0 | 111.9 | T299 F301 R307 | T299-M303 HydrophobicContact CG2-CG 4.44Å; T299-M303 HydrophobicContact CG2-SD 4.05Å; T299-M303 WeakPolarHBondContact O-CB 3.44Å; T299-M303 VanDerWaalsContact O-CG 3.23Å; T299-M303 WeakPolarHBondContact O-CG 3.36Å; T299-M303 PolarHBondContact O-N 2.95Å; F301-M303 VanDerWaalsContact C-N 3.34Å; F301-M303 PolarHBondContact O-N 3.31Å; M303-R307 WeakPolarHBondContact O-CB 3.41Å; M303-R307 PolarHBondContact O-N 3.04Å; M303-R307 VanDerWaalsContact O-N 3.16Å |
| 304 | Y | 64.4 | Low | 56.1 | Low | 139 Ų | 139 | 87.5 Ų | 87.5 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.6 | -176.9 | -97.6 | 0 | 0 | 0 | 112.1 | L300 F301 L302 R307 E308 | L300-Y304 WeakPolarHBondContact O-CB 3.39Å; L300-Y304 PolarHBondContact O-N 2.89Å; F301-Y304 WeakPolarHBondContact O-CB 3.37Å; F301-Y304 PolarHBondContact O-N 3.37Å; L302-Y304 VanDerWaalsContact C-N 3.33Å; Y304-R307 WeakPolarHBondContact O-CB 3.35Å; Y304-R307 PolarHBondContact O-N 3.48Å; Y304-E308 HydrophobicContact CE1-CG 4.35Å; Y304-E308 PolarHBondContact O-N 2.67Å; Y304-E308 VanDerWaalsContact O-N 3.14Å |
| 305 | M | 61.2 | Low | 55.1 | Low | 31 Ų | 31 | 92.2 Ų | 92.2 | 15% | 0.153 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.3 | -77.2 | -69.7 | -56.1 | 0 | 0 | 112.7 | K28 F301 L302 R307 E308 E309 | K28-M305 HydrophobicContact CB-CE 4.5Å; K28-M305 HydrophobicContact CB-SD 4.33Å; K28-M305 HydrophobicContact CD-CE 3.81Å; K28-M305 HydrophobicContact CD-SD 3.89Å; K28-M305 HydrophobicContact CG-SD 4.39Å; F301-M305 HydrophobicContact CD1-CG 4.02Å; F301-M305 HydrophobicContact CE1-CG 3.47Å; F301-M305 VanDerWaalsContact CE1-CG 3.47Å; F301-M305 HydrophobicContact CE1-SD 4.25Å; F301-M305 HydrophobicContact CE2-CG 4.35Å; F301-M305 HydrophobicContact CZ-CG 3.64Å; F301-M305 HydrophobicContact CZ-SD 3.91Å; F301-M305 WeakPolarHBondContact O-CG 3.42Å; F301-M305 PolarHBondContact O-N 3.49Å; L302-M305 PolarHBondContact O-N 3.36Å; M305-R307 PolarHBondContact O-N 3.1Å; M305-E308 PolarHBondContact O-N 3.34Å; M305-E308 VanDerWaalsContact O-N 3.1Å; M305-E309 PolarHBondContact O-N 3.29Å; M305-E309 VanDerWaalsContact O-N 3.08Å |
| 306 | R | 58.8 | Low | 54.2 | Low | 168 Ų | 168 | 95.7 Ų | 95.7 | 63% | 0.634 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59 | -38.2 | 175.1 | -73.7 | 179.6 | 70.6 | 143 | 3.9 | 111.8 | L302 E308 E309 E310 | L302-R306 WeakPolarHBondContact O-CG 3.46Å; L302-R306 PolarHBondContact O-N 3.21Å; R306-E308 VanDerWaalsContact C-N 3.34Å; R306-E308 PolarHBondContact O-N 3.16Å; R306-E309 PolarHBondContact O-N 3.08Å; R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 3.32Å |
| 307 | R | 56.9 | Low | 52.9 | Low | 189 Ų | 189 | 100.6 Ų | 100.6 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.8 | -32.3 | 176.6 | -168 | 175.6 | 178.5 | 165.1 | 0.9 | 112.9 | M303 Y304 M305 C311 | M303-R307 WeakPolarHBondContact O-CB 3.41Å; M303-R307 PolarHBondContact O-N 3.04Å; M303-R307 VanDerWaalsContact O-N 3.16Å; Y304-R307 WeakPolarHBondContact O-CB 3.35Å; Y304-R307 PolarHBondContact O-N 3.48Å; M305-R307 PolarHBondContact O-N 3.1Å; R307-C311 WeakPolarHBondContact O-CB 3.4Å; R307-C311 PolarHBondContact O-N 3.23Å |
| 308 | E | 58.6 | Low | 51.8 | Low | 78 Ų | 78 | 104.6 Ų | 104.6 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.3 | -37.2 | 172.3 | -76.2 | -153.3 | 152.7 | 0 | 0 | 112.7 | K28 Y304 M305 R306 C311 G312 | K28-E308 WeakPolarHBondContact CE-OE2 3.47Å; K28-E308 IonicContact NZ-OE2 2.67Å; K28-E308 PolarHBondContact NZ-OE2 3.33Å; Y304-E308 HydrophobicContact CE1-CG 4.35Å; Y304-E308 PolarHBondContact O-N 2.67Å; Y304-E308 VanDerWaalsContact O-N 3.14Å; M305-E308 PolarHBondContact O-N 3.34Å; M305-E308 VanDerWaalsContact O-N 3.1Å; R306-E308 VanDerWaalsContact C-N 3.34Å; R306-E308 PolarHBondContact O-N 3.16Å; E308-C311 PolarHBondContact O-N 3.14Å; E308-G312 PolarHBondContact O-N 3.14Å |
| 309 | E | 56 | Low | 50.9 | Low | 121 Ų | 121 | 109.6 Ų | 109.6 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.7 | -40.7 | 177.1 | -71.8 | 175.9 | 171.9 | 0 | 0 | 111.8 | M305 R306 G312 M313 | M305-E309 PolarHBondContact O-N 3.29Å; M305-E309 VanDerWaalsContact O-N 3.08Å; R306-E309 PolarHBondContact O-N 3.08Å; E309-G312 PolarHBondContact O-N 2.91Å; E309-M313 PolarHBondContact O-N 3.37Å; E309-M313 VanDerWaalsContact O-N 3.14Å |
| 310 | E | 48.6 | Very low | 49.8 | Very low | 117 Ų | 117 | 111.7 Ų | 111.7 | 55% | 0.547 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -41 | 173.5 | -72.7 | 169.6 | -176.4 | 0 | 0 | 112 | R306 Q314 | R306-E310 WeakPolarHBondContact O-CG 3.48Å; R306-E310 PolarHBondContact O-N 3.32Å; E310-Q314 PolarHBondContact O-N 3.38Å |
| 311 | C | 41.5 | Very low | 48.7 | Very low | 80 Ų | 80 | 112.2 Ų | 112.2 | 54% | 0.541 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.2 | -28.8 | 178 | -151.4 | 0 | 0 | 0 | 0 | 112.5 | R307 E308 N315 | R307-C311 WeakPolarHBondContact O-CB 3.4Å; R307-C311 PolarHBondContact O-N 3.23Å; E308-C311 PolarHBondContact O-N 3.14Å; C311-N315 PolarHBondContact O-ND2 3.47Å |
| 312 | G | 40.5 | Very low | 47.4 | Very low | 37 Ų | 37 | 119.1 Ų | 119.1 | 38% | 0.381 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -71.1 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E308 E309 Q314 N315 T316 | E308-G312 PolarHBondContact O-N 3.14Å; E309-G312 PolarHBondContact O-N 2.91Å; G312-Q314 VanDerWaalsContact C-N 3.35Å; G312-Q314 PolarHBondContact O-N 2.99Å; G312-N315 PolarHBondContact O-N 3.15Å; G312-T316 PolarHBondContact O-OG1 3.45Å |
| 313 | M | 43.3 | Very low | 46.5 | Very low | 136 Ų | 136 | 123 Ų | 123 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.9 | -35.8 | 177.4 | -78.3 | -165.5 | -75 | 0 | 0 | 112.6 | E309 N315 T316 | E309-M313 PolarHBondContact O-N 3.37Å; E309-M313 VanDerWaalsContact O-N 3.14Å; M313-N315 PolarHBondContact O-N 3.26Å; M313-T316 PolarHBondContact O-N 2.81Å; M313-T316 VanDerWaalsContact O-N 3.15Å |
| 314 | Q | 40.6 | Very low | 45.2 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.5 | -18.7 | -179.5 | -160.2 | 131.4 | 36 | 0 | 0 | 114.2 | E310 G312 | E310-Q314 PolarHBondContact O-N 3.38Å; G312-Q314 VanDerWaalsContact C-N 3.35Å; G312-Q314 PolarHBondContact O-N 2.99Å |
| 315 | N | 40.7 | Very low | 43.9 | Very low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -0.6 | 175.9 | -72.3 | -63.8 | 0 | 0 | 0 | 113.5 | C311 G312 M313 | C311-N315 PolarHBondContact O-ND2 3.47Å; G312-N315 PolarHBondContact O-N 3.15Å; M313-N315 PolarHBondContact O-N 3.26Å |
| 316 | T | 41.8 | Very low | 42.7 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -110.5 | -2.6 | -175.8 | -29.9 | 0 | 0 | 0 | 0 | 113.3 | G312 M313 P318 | G312-T316 PolarHBondContact O-OG1 3.45Å; M313-T316 PolarHBondContact O-N 2.81Å; M313-T316 VanDerWaalsContact O-N 3.15Å; T316-P318 VanDerWaalsContact O-CD 3.28Å; T316-P318 WeakPolarHBondContact O-CD 3.28Å |
| 317 | E | 33.2 | Very low | 41.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | trans | -78.3 | 115.4 | 168.3 | -80.6 | -176 | 107.2 | 0 | 0 | 109.8 | ||||
| 318 | P | 39.3 | Very low | 40.8 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.9 | 168.6 | 28 | -31.6 | 0 | 0 | 0 | 109.5 | T316 A320 | T316-P318 VanDerWaalsContact O-CD 3.28Å; T316-P318 WeakPolarHBondContact O-CD 3.28Å; P318-A320 PolarHBondContact O-N 3.32Å |
| 319 | P | 37.3 | Very low | 39.8 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 132 | -177.7 | 23.7 | -32.1 | 0 | 0 | 0 | 110.5 | V321 | P319-V321 PolarHBondContact O-N 3.18Š|
| 320 | A | 37.3 | Very low | 38.8 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 121.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P318 Q322 | P318-A320 PolarHBondContact O-N 3.32Å; A320-Q322 PolarHBondContact O-N 3.15Å |
| 321 | V | 39.6 | Very low | 38.3 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | trans | -61.9 | 109.4 | 170.8 | 174.5 | 0 | 0 | 0 | 0 | 107.5 | P319 L323 | P319-V321 PolarHBondContact O-N 3.18Å; V321-L323 PolarHBondContact O-N 3.05Å; V321-L323 VanDerWaalsContact O-N 3.15Å | ||
| 322 | Q | 34.9 | Very low | 38.2 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -64.3 | 110.2 | 168.9 | -71.6 | -170.2 | -21.4 | 0 | 0 | 108.6 | A320 Q324 | A320-Q322 PolarHBondContact O-N 3.15Å; Q322-Q324 PolarHBondContact O-N 3.27Å | ||
| 323 | L | 39.7 | Very low | 38 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | -69.1 | 113 | 164.1 | -95.3 | 106.9 | 0 | 0 | 0 | 108.8 | V321 | V321-L323 PolarHBondContact O-N 3.05Å; V321-L323 VanDerWaalsContact O-N 3.15Å | ||
| 324 | Q | 35.4 | Very low | 37.7 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.6 | 167.2 | -114.8 | 169 | -40.4 | 0 | 0 | 110.2 | Q322 Q326 | Q322-Q324 PolarHBondContact O-N 3.27Å; Q324-Q326 PolarHBondContact O-N 3.49Å |
| 325 | P | 37.6 | Very low | 37.5 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.7 | 173.5 | -7.2 | 21.7 | 0 | 0 | 0 | 110.4 | ||
| 326 | Q | 35.1 | Very low | 37.3 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 146.7 | 167 | -91.6 | -150.8 | 15.6 | 0 | 0 | 111.2 | Q324 | Q324-Q326 PolarHBondContact O-N 3.49Š|
| 327 | P | 37.6 | Very low | 37 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 124.9 | 177.7 | 29.8 | -30.8 | 0 | 0 | 0 | 111.2 | S329 | P327-S329 PolarHBondContact O-N 3.33Š|
| 328 | T | 38 | Very low | 37.3 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 92% | 0.92 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 118.1 | 169.3 | -3.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 329 | S | 37.8 | Very low | 37.1 | Very low | 113 Ų | 113 | 152.4 Ų | 152.4 | 79% | 0.79 | 86% | 0.864 | S | S | * | * | trans | -97.6 | 107.2 | 164.7 | 39.1 | 0 | 0 | 0 | 0 | 108.5 | P327 | P327-S329 PolarHBondContact O-N 3.33Š| ||
| 330 | M | 35.1 | Very low | 37.1 | Very low | 267 Ų | 267 | 155.2 Ų | 155.2 | 100% | 1.315 | 87% | 0.87 | S | S | * | * | trans | 173 | 0 | 139.1 | -93.3 | -167.7 | -162.6 | 0 | 0 | 108.9 |
Retrieved 330 of 330 residues in 128.4 ms
(Link to these results)