| 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 | 54 | Low | 66.8 | Low | 191 Ų | 191 | 88.1 Ų | 88.1 | 94% | 0.941 | 41% | 0.407 | S | S | * | . | 0 | -59.1 | 0 | -80.1 | -57.9 | -158.3 | 0 | 0 | 112.4 | E3 L4 R5 | M1-E3 PolarHBondContact O-N 3.34Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-R5 PolarHBondContact O-N 3.17Å | |||
| 2 | H | 63.9 | Low | 67 | Low | 137 Ų | 137 | 90.2 Ų | 90.2 | 63% | 0.634 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.8 | -46.2 | 178.6 | -167.9 | -80.8 | 0 | 0 | 0 | 113 | L4 R5 K6 | H2-L4 PolarHBondContact O-N 3.41Å; H2-R5 WeakPolarHBondContact O-CB 3.08Å; H2-R5 PolarHBondContact O-N 3.26Å; H2-R5 VanDerWaalsContact O-N 3.17Å; H2-K6 PolarHBondContact O-N 2.58Å; H2-K6 VanDerWaalsContact O-N 3.08Å |
| 3 | E | 57.2 | Low | 67 | Low | 67 Ų | 67 | 95.5 Ų | 95.5 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 174 | -68.9 | -173.5 | 151 | 0 | 0 | 112.2 | M1 R5 K6 I7 C34 R35 | M1-E3 PolarHBondContact O-N 3.34Å; E3-R5 VanDerWaalsContact C-N 3.31Å; E3-R5 PolarHBondContact O-N 3.31Å; E3-K6 PolarHBondContact O-N 3.15Å; E3-I7 VanDerWaalsContact O-CG1 3.25Å; E3-I7 WeakPolarHBondContact O-CG1 3.06Å; E3-I7 PolarHBondContact O-N 2.53Å; E3-C34 HydrophobicContact CG-CB 4.29Å; E3-C34 WeakPolarHBondContact OE1-CA 3.31Å; E3-C34 VanDerWaalsContact OE1-CB 3.27Å; E3-C34 WeakPolarHBondContact OE1-CB 3.26Å; E3-R35 PolarHBondContact OE1-N 2.88Å; E3-R35 VanDerWaalsContact OE1-N 3.14Å |
| 4 | L | 64.9 | Low | 66.7 | Low | 66 Ų | 66 | 90.2 Ų | 90.2 | 35% | 0.346 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.2 | -36.9 | 176.5 | -81.6 | 164.2 | 0 | 0 | 0 | 112.9 | M1 H2 N8 E39 | M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.1Å; H2-L4 PolarHBondContact O-N 3.41Å; L4-N8 PolarHBondContact O-N 3.41Å; L4-N8 PolarHBondContact O-ND2 3.21Å; L4-E39 WeakPolarHBondContact CD2-OE2 3.44Å |
| 5 | R | 72.2 | Confident | 66.4 | Low | 190 Ų | 190 | 88.4 Ų | 88.4 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.3 | -51.5 | 175.7 | -117 | -175.5 | -173.7 | 172.9 | 0.6 | 111.3 | M1 H2 E3 I7 N8 E9 | M1-R5 PolarHBondContact O-N 3.17Å; H2-R5 WeakPolarHBondContact O-CB 3.08Å; H2-R5 PolarHBondContact O-N 3.26Å; H2-R5 VanDerWaalsContact O-N 3.17Å; E3-R5 VanDerWaalsContact C-N 3.31Å; E3-R5 PolarHBondContact O-N 3.31Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.42Å; R5-N8 PolarHBondContact O-N 3.27Å; R5-N8 VanDerWaalsContact O-N 3.08Å; R5-E9 PolarHBondContact O-N 3.43Å |
| 6 | K | 69 | Low | 65.8 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 25% | 0.248 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 175.5 | -84.7 | -170.9 | 168.3 | -179.7 | 0 | 112 | H2 E3 N8 E9 L10 F30 E33 | H2-K6 PolarHBondContact O-N 2.58Å; H2-K6 VanDerWaalsContact O-N 3.08Å; E3-K6 PolarHBondContact O-N 3.15Å; K6-N8 VanDerWaalsContact C-N 3.34Å; K6-N8 PolarHBondContact O-N 3.43Å; K6-E9 PolarHBondContact O-N 3.33Å; K6-L10 WeakPolarHBondContact O-CB 3.24Å; K6-L10 PolarHBondContact O-N 3.31Å; K6-F30 HydrophobicContact CB-CD2 4Å; K6-F30 HydrophobicContact CB-CE2 3.87Å; K6-F30 HydrophobicContact CD-CD2 4.08Å; K6-E33 IonicContact NZ-OE2 2.6Å; K6-E33 PolarHBondContact NZ-OE2 3.38Å |
| 7 | I | 67 | Low | 64.6 | Low | 3 Ų | 3 | 88.8 Ų | 88.8 | 2% | 0.015 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 175 | -71.7 | 169.6 | 0 | 0 | 0 | 110.9 | E3 R5 K11 F30 E39 L43 | E3-I7 VanDerWaalsContact O-CG1 3.25Å; E3-I7 WeakPolarHBondContact O-CG1 3.06Å; E3-I7 PolarHBondContact O-N 2.53Å; R5-I7 VanDerWaalsContact C-N 3.3Å; R5-I7 PolarHBondContact O-N 3.42Å; I7-K11 HydrophobicContact CG2-CD 3.98Å; I7-K11 HydrophobicContact CG2-CG 4.4Å; I7-K11 WeakPolarHBondContact O-CB 3.46Å; I7-K11 VanDerWaalsContact O-CG 3.23Å; I7-K11 WeakPolarHBondContact O-CG 3.26Å; I7-K11 PolarHBondContact O-N 2.84Å; I7-F30 HydrophobicContact CD1-CZ 3.96Å; I7-F30 HydrophobicContact CG1-CE1 3.99Å; I7-F30 HydrophobicContact CG1-CE2 4.06Å; I7-F30 HydrophobicContact CG1-CZ 3.32Å; I7-E39 HydrophobicContact CD1-CB 3.93Å; I7-L43 HydrophobicContact CB-CD1 4.41Å; I7-L43 HydrophobicContact CG1-CD1 4.18Å; I7-L43 HydrophobicContact CG2-CD1 4.02Å |
| 8 | N | 74.1 | Confident | 63.6 | Low | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 179.9 | -75.5 | -19.4 | 0 | 0 | 0 | 112.5 | L4 R5 K6 F12 | L4-N8 PolarHBondContact O-N 3.41Å; L4-N8 PolarHBondContact O-ND2 3.21Å; R5-N8 PolarHBondContact O-N 3.27Å; R5-N8 VanDerWaalsContact O-N 3.08Å; K6-N8 VanDerWaalsContact C-N 3.34Å; K6-N8 PolarHBondContact O-N 3.43Å; N8-F12 VanDerWaalsContact O-CB 3.31Å; N8-F12 WeakPolarHBondContact O-CB 3.17Å; N8-F12 PolarHBondContact O-N 3.25Å |
| 9 | E | 72.4 | Confident | 62.6 | Low | 101 Ų | 101 | 90.3 Ų | 90.3 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.3 | -52.3 | 173 | -75.8 | 167.2 | 179.4 | 0 | 0 | 111 | R5 K6 K11 F12 Y13 | R5-E9 PolarHBondContact O-N 3.43Å; K6-E9 PolarHBondContact O-N 3.33Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.38Å; E9-F12 WeakPolarHBondContact O-CA 3.34Å; E9-F12 WeakPolarHBondContact O-CB 3.42Å; E9-F12 PolarHBondContact O-N 3.45Å; E9-Y13 WeakPolarHBondContact O-CD2 3.11Å; E9-Y13 PolarHBondContact O-N 3.44Å |
| 10 | L | 69.7 | Low | 61.9 | Low | 12 Ų | 12 | 93 Ų | 93 | 6% | 0.063 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 176.7 | -76.4 | 163.8 | 0 | 0 | 0 | 111.8 | K6 F12 Y13 L14 E26 F30 L43 | K6-L10 WeakPolarHBondContact O-CB 3.24Å; K6-L10 PolarHBondContact O-N 3.31Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.98Å; L10-Y13 PolarHBondContact O-N 2.91Å; L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 VanDerWaalsContact O-CD1 3.28Å; L10-L14 WeakPolarHBondContact O-CD1 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.25Å; L10-L14 PolarHBondContact O-N 2.95Å; L10-E26 HydrophobicContact CD2-CB 4.43Å; L10-F30 HydrophobicContact CD1-CB 3.79Å; L10-F30 HydrophobicContact CD1-CD1 3.72Å; L10-F30 HydrophobicContact CD1-CD2 4.06Å; L10-F30 HydrophobicContact CD1-CE1 4.35Å; L10-F30 HydrophobicContact CD1-CG 3.57Å; L10-L43 HydrophobicContact CB-CD2 3.92Å; L10-L43 HydrophobicContact CD1-CD2 4.04Å; L10-L43 HydrophobicContact CG-CD2 4.49Å |
| 11 | K | 70.1 | Confident | 61.4 | Low | 49 Ų | 49 | 92.2 Ų | 92.2 | 21% | 0.213 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 174.1 | -78.2 | 177.7 | 178.8 | 176.3 | 0 | 111.9 | I7 E9 L14 S15 S42 F46 | I7-K11 HydrophobicContact CG2-CD 3.98Å; I7-K11 HydrophobicContact CG2-CG 4.4Å; I7-K11 WeakPolarHBondContact O-CB 3.46Å; I7-K11 VanDerWaalsContact O-CG 3.23Å; I7-K11 WeakPolarHBondContact O-CG 3.26Å; I7-K11 PolarHBondContact O-N 2.84Å; E9-K11 VanDerWaalsContact C-N 3.33Å; E9-K11 PolarHBondContact O-N 3.38Å; K11-L14 PolarHBondContact O-N 3.39Å; K11-S15 WeakPolarHBondContact O-CB 3.47Å; K11-S15 PolarHBondContact O-N 3.38Å; K11-S15 PolarHBondContact O-OG 2.99Å; K11-S42 WeakPolarHBondContact CE-OG 3.03Å; K11-S42 PolarHBondContact NZ-OG 3.27Å; K11-F46 HydrophobicContact CB-CE1 4.49Å; K11-F46 HydrophobicContact CB-CE2 4.31Å; K11-F46 HydrophobicContact CB-CZ 4.22Å; K11-F46 HydrophobicContact CD-CE2 3.87Å; K11-F46 HydrophobicContact CD-CZ 4.23Å; K11-F46 HydrophobicContact CG-CD2 3.96Å; K11-F46 HydrophobicContact CG-CE2 3.66Å; K11-F46 HydrophobicContact CG-CZ 4.04Å |
| 12 | F | 70.1 | Confident | 61.3 | Low | 113 Ų | 113 | 84.3 Ų | 84.3 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 178.2 | -177.1 | -99.5 | 0 | 0 | 0 | 111.1 | N8 E9 L10 L14 S15 K16 | N8-F12 VanDerWaalsContact O-CB 3.31Å; N8-F12 WeakPolarHBondContact O-CB 3.17Å; N8-F12 PolarHBondContact O-N 3.25Å; E9-F12 WeakPolarHBondContact O-CA 3.34Å; E9-F12 WeakPolarHBondContact O-CB 3.42Å; E9-F12 PolarHBondContact O-N 3.45Å; L10-F12 VanDerWaalsContact C-N 3.3Å; L10-F12 PolarHBondContact O-N 2.98Å; F12-L14 PolarHBondContact O-N 3.39Å; F12-S15 PolarHBondContact O-N 3.23Å; F12-S15 PolarHBondContact O-OG 3.13Å; F12-K16 HydrophobicContact CE1-CD 4.19Å; F12-K16 HydrophobicContact CZ-CD 4.31Å; F12-K16 PolarHBondContact O-N 3.39Å |
| 13 | Y | 66.1 | Low | 61.3 | Low | 160 Ų | 160 | 82.2 Ų | 82.2 | 63% | 0.627 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.9 | -45 | 175.1 | -76.8 | -69.1 | 0 | 0 | 0 | 112.5 | E9 L10 S15 | E9-Y13 WeakPolarHBondContact O-CD2 3.11Å; E9-Y13 PolarHBondContact O-N 3.44Å; L10-Y13 PolarHBondContact O-N 2.91Å; Y13-S15 PolarHBondContact O-N 3.41Å |
| 14 | L | 63 | Low | 61.5 | Low | 21 Ų | 21 | 79.1 Ų | 79.1 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.4 | -23.7 | 178.7 | -64.1 | 157.6 | 0 | 0 | 0 | 113.2 | L10 K11 F12 L22 L43 F46 I47 | L10-L14 WeakPolarHBondContact O-CB 3.46Å; L10-L14 VanDerWaalsContact O-CD1 3.28Å; L10-L14 WeakPolarHBondContact O-CD1 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.25Å; L10-L14 PolarHBondContact O-N 2.95Å; K11-L14 PolarHBondContact O-N 3.39Å; F12-L14 PolarHBondContact O-N 3.39Å; L14-L22 HydrophobicContact CD2-CD1 3.45Å; L14-L22 VanDerWaalsContact CD2-CD1 3.45Å; L14-L22 HydrophobicContact CD2-CD2 3.5Å; L14-L22 HydrophobicContact CD2-CG 3.59Å; L14-L43 HydrophobicContact CD1-CD2 3.88Å; L14-L43 HydrophobicContact CD1-CG 4.28Å; L14-F46 HydrophobicContact CB-CB 3.6Å; L14-F46 HydrophobicContact CB-CD1 4.21Å; L14-F46 HydrophobicContact CB-CG 4.24Å; L14-F46 HydrophobicContact CD1-CB 3.64Å; L14-F46 HydrophobicContact CD1-CG 4.46Å; L14-F46 HydrophobicContact CG-CB 4.12Å; L14-I47 HydrophobicContact CD1-CG1 4.48Å; L14-I47 HydrophobicContact CD2-CG1 4.3Å |
| 15 | S | 61.9 | Low | 61.6 | Low | 63 Ų | 63 | 77.8 Ų | 77.8 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -82.9 | -30.5 | -178.1 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | K11 F12 Y13 G17 | K11-S15 WeakPolarHBondContact O-CB 3.47Å; K11-S15 PolarHBondContact O-N 3.38Å; K11-S15 PolarHBondContact O-OG 2.99Å; F12-S15 PolarHBondContact O-N 3.23Å; F12-S15 PolarHBondContact O-OG 3.13Å; Y13-S15 PolarHBondContact O-N 3.41Å; S15-G17 VanDerWaalsContact C-N 3.26Å; S15-G17 PolarHBondContact O-N 3.36Å |
| 16 | K | 57.5 | Low | 61.5 | Low | 133 Ų | 133 | 73.1 Ų | 73.1 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | trans | -74.1 | 81.2 | 174.8 | -81.5 | -170.7 | 172.4 | -176.6 | 0 | 109.4 | F12 D18 | F12-K16 HydrophobicContact CE1-CD 4.19Å; F12-K16 HydrophobicContact CZ-CD 4.31Å; F12-K16 PolarHBondContact O-N 3.39Å; K16-D18 PolarHBondContact O-N 2.83Å | ||
| 17 | G | 44.9 | Very low | 61.4 | Low | 50 Ų | 50 | 70.7 Ų | 70.7 | 52% | 0.515 | 39% | 0.389 | S | S | . | . | trans | -69.1 | 23.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S15 G19 | S15-G17 VanDerWaalsContact C-N 3.26Å; S15-G17 PolarHBondContact O-N 3.36Å; G17-G19 PolarHBondContact O-N 3.24Å | ||
| 18 | D | 47 | Very low | 61.4 | Low | 136 Ų | 136 | 71.1 Ų | 71.1 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -90 | 71.6 | -179.7 | -68 | -21.8 | 0 | 0 | 0 | 110 | K16 N20 | K16-D18 PolarHBondContact O-N 2.83Å; D18-N20 PolarHBondContact O-N 2.95Å |
| 19 | G | 44.9 | Very low | 61.2 | Low | 71 Ų | 71 | 69.7 Ų | 69.7 | 73% | 0.732 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 63.5 | -15.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | G17 | G17-G19 PolarHBondContact O-N 3.24Š|
| 20 | N | 48.5 | Very low | 61.1 | Low | 144 Ų | 144 | 65.2 Ų | 65.2 | 77% | 0.77 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 130.2 | -176.1 | -74.5 | -13.1 | 0 | 0 | 0 | 109.8 | D18 L22 | D18-N20 PolarHBondContact O-N 2.95Å; N20-L22 PolarHBondContact O-N 3.23Å |
| 21 | A | 51.3 | Low | 60.8 | Low | 77 Ų | 77 | 64.8 Ų | 64.8 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 126.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | D23 | A21-D23 PolarHBondContact O-N 3.08Š|
| 22 | L | 51.4 | Low | 60.5 | Low | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 124.2 | 164.6 | -127.1 | 80 | 0 | 0 | 0 | 107.8 | L14 N20 F24 C50 F80 | L14-L22 HydrophobicContact CD2-CD1 3.45Å; L14-L22 VanDerWaalsContact CD2-CD1 3.45Å; L14-L22 HydrophobicContact CD2-CD2 3.5Å; L14-L22 HydrophobicContact CD2-CG 3.59Å; N20-L22 PolarHBondContact O-N 3.23Å; L22-F24 HydrophobicContact CB-CD2 4.07Å; L22-F24 HydrophobicContact CD2-CD2 3.34Å; L22-F24 HydrophobicContact CD2-CE2 3.28Å; L22-F24 HydrophobicContact CD2-CG 4.32Å; L22-F24 HydrophobicContact CD2-CZ 4.23Å; L22-F24 HydrophobicContact CG-CD2 4.33Å; L22-F24 PolarHBondContact O-N 3.28Å; L22-C50 HydrophobicContact CD1-CB 4.1Å; L22-C50 WeakPolarHBondContact CD1-SG 3.1Å; L22-F80 HydrophobicContact CB-CE1 4.43Å; L22-F80 HydrophobicContact CB-CZ 3.9Å; L22-F80 WeakPolarHBondContact O-CE1 3.4Å |
| 23 | D | 63.3 | Low | 60.3 | Low | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | trans | -78.9 | 76.8 | 166.7 | -161.8 | -6.5 | 0 | 0 | 0 | 108.6 | A21 H25 E26 L27 | A21-D23 PolarHBondContact O-N 3.08Å; D23-H25 PolarHBondContact O-N 2.89Å; D23-H25 VanDerWaalsContact O-N 3.09Å; D23-H25 WeakPolarHBondContact OD1-CB 3.4Å; D23-H25 PolarHBondContact OD1-N 2.94Å; D23-E26 HydrophobicContact CB-CB 4.49Å; D23-E26 PolarHBondContact O-N 2.81Å; D23-E26 VanDerWaalsContact O-N 3.09Å; D23-L27 PolarHBondContact O-N 3.08Å | ||
| 24 | F | 62.2 | Low | 59.8 | Low | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -21 | 179.5 | -121.6 | -81.9 | 0 | 0 | 0 | 111.9 | L22 L27 I28 I47 F51 L75 F80 I83 L93 | L22-F24 HydrophobicContact CB-CD2 4.07Å; L22-F24 HydrophobicContact CD2-CD2 3.34Å; L22-F24 HydrophobicContact CD2-CE2 3.28Å; L22-F24 HydrophobicContact CD2-CG 4.32Å; L22-F24 HydrophobicContact CD2-CZ 4.23Å; L22-F24 HydrophobicContact CG-CD2 4.33Å; L22-F24 PolarHBondContact O-N 3.28Å; F24-L27 HydrophobicContact CD1-CD2 3.76Å; F24-L27 HydrophobicContact CE1-CD2 3.49Å; F24-L27 VanDerWaalsContact CE1-CD2 3.49Å; F24-L27 HydrophobicContact CG-CD2 4.49Å; F24-L27 HydrophobicContact CZ-CD2 4.03Å; F24-L27 WeakPolarHBondContact O-CB 3.3Å; F24-L27 PolarHBondContact O-N 3.19Å; F24-I28 WeakPolarHBondContact O-CD1 3.45Å; F24-I28 VanDerWaalsContact O-CG1 3.25Å; F24-I28 WeakPolarHBondContact O-CG1 2.95Å; F24-I28 PolarHBondContact O-N 3.13Å; F24-I47 HydrophobicContact CZ-CG2 3.93Å; F24-F51 HydrophobicContact CE2-CE1 4.01Å; F24-F51 HydrophobicContact CE2-CE2 4.32Å; F24-F51 AromaticContact CE2-CZ 3.55Å; F24-F51 HydrophobicContact CE2-CZ 3.55Å; F24-F51 HydrophobicContact CZ-CE1 4.31Å; F24-F51 AromaticContact CZ-CE2 3.93Å; F24-F51 HydrophobicContact CZ-CE2 3.93Å; F24-F51 AromaticContact CZ-CZ 3.41Å; F24-F51 HydrophobicContact CZ-CZ 3.41Å; F24-F51 VanDerWaalsContact CZ-CZ 3.41Å; F24-L75 HydrophobicContact CD1-CD2 3.85Å; F24-L75 HydrophobicContact CD2-CD2 4.44Å; F24-L75 HydrophobicContact CE1-CD2 3.57Å; F24-L75 HydrophobicContact CE2-CD2 4.2Å; F24-L75 HydrophobicContact CG-CD2 4.3Å; F24-L75 HydrophobicContact CZ-CD2 3.79Å; F24-F80 HydrophobicContact CB-CE1 4.37Å; F24-F80 HydrophobicContact CD2-CD2 4.21Å; F24-F80 HydrophobicContact CD2-CE1 4.15Å; F24-F80 AromaticContact CD2-CE2 3.7Å; F24-F80 HydrophobicContact CD2-CE2 3.7Å; F24-F80 AromaticContact CD2-CZ 3.66Å; F24-F80 HydrophobicContact CD2-CZ 3.66Å; F24-F80 HydrophobicContact CE2-CE2 4.01Å; F24-F80 HydrophobicContact CE2-CZ 4.33Å; F24-I83 HydrophobicContact CB-CD1 3.93Å; F24-L93 HydrophobicContact CE1-CD1 4.29Å; F24-L93 HydrophobicContact CE1-CD2 4.47Å |
| 25 | H | 66.5 | Low | 59.5 | Low | 38 Ų | 38 | 68.8 Ų | 68.8 | 18% | 0.176 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174.2 | -148.9 | 70.5 | 0 | 0 | 0 | 112.1 | D23 L27 I28 K29 E1438 I1439 | D23-H25 PolarHBondContact O-N 2.89Å; D23-H25 VanDerWaalsContact O-N 3.09Å; D23-H25 WeakPolarHBondContact OD1-CB 3.4Å; D23-H25 PolarHBondContact OD1-N 2.94Å; H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.5Å; H25-I28 PolarHBondContact O-N 3.18Å; H25-K29 WeakPolarHBondContact O-CB 3.43Å; H25-K29 PolarHBondContact O-N 3.1Å; H25-E1438 IonicContact CD2-OE2 3.12Å; H25-E1438 WeakPolarHBondContact CE1-CB 3.41Å; H25-E1438 IonicContact CE1-OE2 3.98Å; H25-E1438 PolarHBondContact CE1-OE2 3Å; H25-E1438 IonicContact CG-OE2 2.66Å; H25-E1438 IonicContact ND1-OE2 3.17Å; H25-E1438 PolarHBondContact ND1-OE2 3.28Å; H25-E1438 VanDerWaalsContact ND1-OE2 3.17Å; H25-E1438 WeakPolarHBondContact NE2-CA 3.32Å; H25-E1438 WeakPolarHBondContact NE2-CB 3.42Å; H25-E1438 WeakPolarHBondContact NE2-CG 3.41Å; H25-E1438 IonicContact NE2-OE2 2.68Å; H25-E1438 PolarHBondContact NE2-OE2 2.97Å; H25-I1439 PolarHBondContact NE2-N 3.47Å |
| 26 | E | 69.7 | Low | 59.2 | Low | 92 Ų | 92 | 68 Ų | 68 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 178.6 | -137.1 | -163.2 | -164.6 | 0 | 0 | 111.5 | L10 D23 F30 | L10-E26 HydrophobicContact CD2-CB 4.43Å; D23-E26 HydrophobicContact CB-CB 4.49Å; D23-E26 PolarHBondContact O-N 2.81Å; D23-E26 VanDerWaalsContact O-N 3.09Å; E26-F30 VanDerWaalsContact O-CB 3.27Å; E26-F30 WeakPolarHBondContact O-CB 3.45Å; E26-F30 PolarHBondContact O-N 3.47Å |
| 27 | L | 67.8 | Low | 59.4 | Low | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 171.8 | 177 | 71 | 0 | 0 | 0 | 111.5 | D23 F24 H25 K29 F30 L31 L43 I47 L93 | D23-L27 PolarHBondContact O-N 3.08Å; F24-L27 HydrophobicContact CD1-CD2 3.76Å; F24-L27 HydrophobicContact CE1-CD2 3.49Å; F24-L27 VanDerWaalsContact CE1-CD2 3.49Å; F24-L27 HydrophobicContact CG-CD2 4.49Å; F24-L27 HydrophobicContact CZ-CD2 4.03Å; F24-L27 WeakPolarHBondContact O-CB 3.3Å; F24-L27 PolarHBondContact O-N 3.19Å; H25-L27 VanDerWaalsContact C-N 3.29Å; H25-L27 PolarHBondContact O-N 3.5Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 2.92Å; L27-F30 WeakPolarHBondContact O-CB 3.49Å; L27-F30 PolarHBondContact O-N 3.39Å; L27-L31 HydrophobicContact CG-CD1 4.49Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.17Å; L27-L31 PolarHBondContact O-N 3.32Å; L27-L43 HydrophobicContact CD1-CD2 3.19Å; L27-I47 HydrophobicContact CD1-CD1 4.04Å; L27-I47 HydrophobicContact CD2-CD1 3.49Å; L27-I47 VanDerWaalsContact CD2-CD1 3.49Å; L27-I47 HydrophobicContact CD2-CG1 4.04Å; L27-I47 HydrophobicContact CG-CD1 4.41Å; L27-L93 HydrophobicContact CD2-CD1 4.13Å |
| 28 | I | 67.7 | Low | 60.1 | Low | 12 Ų | 12 | 65.3 Ų | 65.3 | 6% | 0.062 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 179.1 | -70.8 | 164 | 0 | 0 | 0 | 110.5 | F24 H25 F30 L31 L32 I83 I85 V89 | F24-I28 WeakPolarHBondContact O-CD1 3.45Å; F24-I28 VanDerWaalsContact O-CG1 3.25Å; F24-I28 WeakPolarHBondContact O-CG1 2.95Å; F24-I28 PolarHBondContact O-N 3.13Å; H25-I28 PolarHBondContact O-N 3.18Å; I28-F30 VanDerWaalsContact C-N 3.35Å; I28-F30 PolarHBondContact O-N 3.29Å; I28-L31 WeakPolarHBondContact O-CA 3.08Å; I28-L31 WeakPolarHBondContact O-CB 3.18Å; I28-L31 PolarHBondContact O-N 3.05Å; I28-L31 VanDerWaalsContact O-N 3.1Å; I28-L32 HydrophobicContact CG2-CD1 4.26Å; I28-L32 PolarHBondContact O-N 3.43Å; I28-I83 HydrophobicContact CD1-CD1 4.33Å; I28-I83 HydrophobicContact CD1-CG2 3.39Å; I28-I85 HydrophobicContact CD1-CD1 3.58Å; I28-I85 HydrophobicContact CD1-CG1 4.08Å; I28-I85 HydrophobicContact CG1-CD1 3.93Å; I28-V89 HydrophobicContact CG2-CG1 4.25Å |
| 29 | K | 69.4 | Low | 61.1 | Low | 66 Ų | 66 | 63.1 Ų | 63.1 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.2 | -155.1 | -179.8 | -174.7 | -171.9 | 0 | 112 | H25 L27 L31 L32 E33 | H25-K29 WeakPolarHBondContact O-CB 3.43Å; H25-K29 PolarHBondContact O-N 3.1Å; L27-K29 VanDerWaalsContact C-N 3.34Å; L27-K29 PolarHBondContact O-N 2.92Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.2Å; K29-L32 WeakPolarHBondContact O-CB 3.34Å; K29-L32 PolarHBondContact O-N 3.13Å; K29-E33 WeakPolarHBondContact O-CG 3.2Å; K29-E33 PolarHBondContact O-N 3.46Å |
| 30 | F | 70 | Confident | 62.2 | Low | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 173.1 | 177.2 | -101.5 | 0 | 0 | 0 | 112.6 | K6 I7 L10 E26 L27 I28 L32 C34 K40 L43 | K6-F30 HydrophobicContact CB-CD2 4Å; K6-F30 HydrophobicContact CB-CE2 3.87Å; K6-F30 HydrophobicContact CD-CD2 4.08Å; I7-F30 HydrophobicContact CD1-CZ 3.96Å; I7-F30 HydrophobicContact CG1-CE1 3.99Å; I7-F30 HydrophobicContact CG1-CE2 4.06Å; I7-F30 HydrophobicContact CG1-CZ 3.32Å; L10-F30 HydrophobicContact CD1-CB 3.79Å; L10-F30 HydrophobicContact CD1-CD1 3.72Å; L10-F30 HydrophobicContact CD1-CD2 4.06Å; L10-F30 HydrophobicContact CD1-CE1 4.35Å; L10-F30 HydrophobicContact CD1-CG 3.57Å; E26-F30 VanDerWaalsContact O-CB 3.27Å; E26-F30 WeakPolarHBondContact O-CB 3.45Å; E26-F30 PolarHBondContact O-N 3.47Å; L27-F30 WeakPolarHBondContact O-CB 3.49Å; L27-F30 PolarHBondContact O-N 3.39Å; I28-F30 VanDerWaalsContact C-N 3.35Å; I28-F30 PolarHBondContact O-N 3.29Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-C34 HydrophobicContact CE2-CB 4.18Å; F30-C34 WeakPolarHBondContact CE2-SG 3.38Å; F30-C34 HydrophobicContact CZ-CB 4.33Å; F30-C34 PolarHBondContact O-N 2.97Å; F30-K40 HydrophobicContact CE1-CD 4.42Å; F30-K40 HydrophobicContact CE1-CG 3.64Å; F30-K40 HydrophobicContact CZ-CG 4.22Å; F30-K40 WeakPolarHBondContact O-CE 3.45Å; F30-L43 HydrophobicContact CE1-CD1 4.14Å |
| 31 | L | 64 | Low | 63.1 | Low | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 173.4 | -68.3 | 177.1 | 0 | 0 | 0 | 111.8 | L27 I28 K29 K40 Q92 L93 V96 | L27-L31 HydrophobicContact CG-CD1 4.49Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.17Å; L27-L31 PolarHBondContact O-N 3.32Å; I28-L31 WeakPolarHBondContact O-CA 3.08Å; I28-L31 WeakPolarHBondContact O-CB 3.18Å; I28-L31 PolarHBondContact O-N 3.05Å; I28-L31 VanDerWaalsContact O-N 3.1Å; K29-L31 VanDerWaalsContact C-N 3.33Å; K29-L31 PolarHBondContact O-N 3.2Å; L31-K40 HydrophobicContact CD2-CD 4.32Å; L31-K40 HydrophobicContact CD2-CG 4.49Å; L31-K40 PolarHBondContact O-NZ 2.94Å; L31-Q92 PolarHBondContact O-OE1 3.27Å; L31-L93 HydrophobicContact CD1-CB 3.99Å; L31-L93 HydrophobicContact CD1-CD1 3.5Å; L31-L93 VanDerWaalsContact CD1-CD1 3.5Å; L31-L93 HydrophobicContact CD1-CG 4.35Å; L31-V96 HydrophobicContact CD2-CG2 4.05Å |
| 32 | L | 64.2 | Low | 64.2 | Low | 96 Ų | 96 | 50.7 Ų | 50.7 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 176.7 | -81.4 | 164.1 | 0 | 0 | 0 | 113.9 | I28 K29 F30 V89 | I28-L32 HydrophobicContact CG2-CD1 4.26Å; I28-L32 PolarHBondContact O-N 3.43Å; K29-L32 WeakPolarHBondContact O-CB 3.34Å; K29-L32 PolarHBondContact O-N 3.13Å; F30-L32 VanDerWaalsContact C-N 3.33Å; L32-V89 HydrophobicContact CD2-CG2 3.33Å; L32-V89 HydrophobicContact CG-CG2 3.82Å |
| 33 | E | 64.4 | Low | 65.4 | Low | 107 Ų | 107 | 49.6 Ų | 49.6 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -81.3 | -31.3 | -170 | -73 | 175.8 | -179.3 | 0 | 0 | 114.6 | K6 K29 | K6-E33 IonicContact NZ-OE2 2.6Å; K6-E33 PolarHBondContact NZ-OE2 3.38Å; K29-E33 WeakPolarHBondContact O-CG 3.2Å; K29-E33 PolarHBondContact O-N 3.46Å |
| 34 | C | 56.8 | Low | 66 | Low | 17 Ų | 17 | 45.2 Ų | 45.2 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -103.2 | 147.7 | -164.9 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | E3 F30 K40 | E3-C34 HydrophobicContact CG-CB 4.29Å; E3-C34 WeakPolarHBondContact OE1-CA 3.31Å; E3-C34 VanDerWaalsContact OE1-CB 3.27Å; E3-C34 WeakPolarHBondContact OE1-CB 3.26Å; F30-C34 HydrophobicContact CE2-CB 4.18Å; F30-C34 WeakPolarHBondContact CE2-SG 3.38Å; F30-C34 HydrophobicContact CZ-CB 4.33Å; F30-C34 PolarHBondContact O-N 2.97Å; C34-K40 PolarHBondContact O-NZ 2.93Å |
| 35 | R | 55.6 | Low | 66.8 | Low | 206 Ų | 206 | 49.9 Ų | 49.9 | 78% | 0.777 | 24% | 0.241 | S | C | * | . | trans | -65.3 | 150.6 | 179.1 | -76.7 | -174.9 | -179.6 | 179.5 | 1.6 | 111.4 | E3 S37 | E3-R35 PolarHBondContact OE1-N 2.88Å; E3-R35 VanDerWaalsContact OE1-N 3.14Å; R35-S37 PolarHBondContact O-N 3.39Å; R35-S37 VanDerWaalsContact O-N 3.11Å | ||
| 36 | P | 56.4 | Low | 67.2 | Low | 48 Ų | 48 | 50.6 Ų | 50.6 | 31% | 0.312 | 24% | 0.243 | S | C | . | . | trans | -64.4 | 112.3 | 177.2 | 25.1 | -32.8 | 0 | 0 | 0 | 111 | Q139 | P36-Q139 HydrophobicContact CB-CG 3.41Å; P36-Q139 VanDerWaalsContact CB-CG 3.41Å | ||
| 37 | S | 61.2 | Low | 67.5 | Low | 36 Ų | 36 | 46.2 Ų | 46.2 | 25% | 0.252 | 22% | 0.223 | S | C | . | . | trans | -131.5 | 154.3 | 175.2 | 75.1 | 0 | 0 | 0 | 0 | 111 | R35 E39 K40 | R35-S37 PolarHBondContact O-N 3.39Å; R35-S37 VanDerWaalsContact O-N 3.11Å; S37-E39 PolarHBondContact O-N 2.94Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.44Å; S37-K40 VanDerWaalsContact O-N 3.1Å; S37-K40 PolarHBondContact OG-N 3.29Å | ||
| 38 | T | 60.7 | Low | 68.1 | Low | 90 Ų | 90 | 46 Ų | 46 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.2 | -28.1 | 174.6 | 39.2 | 0 | 0 | 0 | 0 | 112.6 | K40 L41 | T38-K40 VanDerWaalsContact C-N 3.31Å; T38-K40 PolarHBondContact O-N 3.15Å; T38-L41 PolarHBondContact O-N 3.38Å |
| 39 | E | 67.1 | Low | 68.5 | Low | 90 Ų | 90 | 48 Ų | 48 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 175.5 | -66.2 | 169.7 | 166.9 | 0 | 0 | 111.6 | L4 I7 S37 L41 S42 | L4-E39 WeakPolarHBondContact CD2-OE2 3.44Å; I7-E39 HydrophobicContact CD1-CB 3.93Å; S37-E39 PolarHBondContact O-N 2.94Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.2Å; E39-S42 WeakPolarHBondContact O-CB 3.03Å; E39-S42 PolarHBondContact O-N 3.26Å; E39-S42 PolarHBondContact O-OG 3.33Å |
| 40 | K | 67.7 | Low | 68.7 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 175.5 | -149.1 | -177.2 | -170.6 | -176.4 | 0 | 111.8 | F30 L31 C34 S37 T38 S42 L43 | F30-K40 HydrophobicContact CE1-CD 4.42Å; F30-K40 HydrophobicContact CE1-CG 3.64Å; F30-K40 HydrophobicContact CZ-CG 4.22Å; F30-K40 WeakPolarHBondContact O-CE 3.45Å; L31-K40 HydrophobicContact CD2-CD 4.32Å; L31-K40 HydrophobicContact CD2-CG 4.49Å; L31-K40 PolarHBondContact O-NZ 2.94Å; C34-K40 PolarHBondContact O-NZ 2.93Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 3.44Å; S37-K40 VanDerWaalsContact O-N 3.1Å; S37-K40 PolarHBondContact OG-N 3.29Å; T38-K40 VanDerWaalsContact C-N 3.31Å; T38-K40 PolarHBondContact O-N 3.15Å; K40-S42 PolarHBondContact O-N 3.14Å; K40-L43 PolarHBondContact O-N 3.48Å |
| 41 | L | 68.6 | Low | 69 | Low | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -28.9 | 178.2 | -64.7 | 177.5 | 0 | 0 | 0 | 112.6 | T38 E39 L43 G44 I95 V96 F99 | T38-L41 PolarHBondContact O-N 3.38Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.2Å; L41-L43 PolarHBondContact O-N 3.07Å; L41-L43 VanDerWaalsContact O-N 3.07Å; L41-G44 PolarHBondContact O-N 3Å; L41-I95 HydrophobicContact CD2-CG2 3.7Å; L41-V96 HydrophobicContact CD2-CG2 3.99Å; L41-F99 HydrophobicContact CB-CB 4.29Å; L41-F99 HydrophobicContact CB-CD1 4.14Å; L41-F99 HydrophobicContact CB-CD2 3.6Å; L41-F99 HydrophobicContact CB-CE1 4.4Å; L41-F99 HydrophobicContact CB-CE2 3.82Å; L41-F99 HydrophobicContact CB-CG 3.76Å; L41-F99 HydrophobicContact CB-CZ 4.26Å; L41-F99 HydrophobicContact CD1-CD2 3.89Å; L41-F99 HydrophobicContact CD1-CE2 4.27Å; L41-F99 HydrophobicContact CD2-CB 4.46Å; L41-F99 HydrophobicContact CG-CD2 4.27Å; L41-F99 WeakPolarHBondContact O-CD1 3.34Å; L41-F99 WeakPolarHBondContact O-CE1 3.38Å |
| 42 | S | 74.2 | Confident | 69.4 | Low | 24 Ų | 24 | 47.9 Ų | 47.9 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.7 | -179.7 | 75.3 | 0 | 0 | 0 | 0 | 114.4 | K11 E39 K40 G44 | K11-S42 WeakPolarHBondContact CE-OG 3.03Å; K11-S42 PolarHBondContact NZ-OG 3.27Å; E39-S42 WeakPolarHBondContact O-CB 3.03Å; E39-S42 PolarHBondContact O-N 3.26Å; E39-S42 PolarHBondContact O-OG 3.33Å; K40-S42 PolarHBondContact O-N 3.14Å; S42-G44 PolarHBondContact O-N 3.2Å |
| 43 | L | 75.9 | Confident | 69.8 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.7 | -30.1 | 170 | -103.3 | 101.8 | 0 | 0 | 0 | 112.8 | I7 L10 L14 L27 F30 K40 L41 R45 F46 I47 V96 | I7-L43 HydrophobicContact CB-CD1 4.41Å; I7-L43 HydrophobicContact CG1-CD1 4.18Å; I7-L43 HydrophobicContact CG2-CD1 4.02Å; L10-L43 HydrophobicContact CB-CD2 3.92Å; L10-L43 HydrophobicContact CD1-CD2 4.04Å; L10-L43 HydrophobicContact CG-CD2 4.49Å; L14-L43 HydrophobicContact CD1-CD2 3.88Å; L14-L43 HydrophobicContact CD1-CG 4.28Å; L27-L43 HydrophobicContact CD1-CD2 3.19Å; F30-L43 HydrophobicContact CE1-CD1 4.14Å; K40-L43 PolarHBondContact O-N 3.48Å; L41-L43 PolarHBondContact O-N 3.07Å; L41-L43 VanDerWaalsContact O-N 3.07Å; L43-R45 PolarHBondContact O-N 2.57Å; L43-F46 WeakPolarHBondContact O-CB 3.21Å; L43-F46 PolarHBondContact O-N 3.2Å; L43-I47 HydrophobicContact CB-CD1 4.4Å; L43-I47 PolarHBondContact O-N 3.47Å; L43-V96 HydrophobicContact CB-CG1 4.41Å |
| 44 | G | 76.3 | Confident | 70.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.5 | -42.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L41 S42 F46 I47 I48 V96 G100 | L41-G44 PolarHBondContact O-N 3Å; S42-G44 PolarHBondContact O-N 3.2Å; G44-F46 VanDerWaalsContact C-N 3.28Å; G44-F46 PolarHBondContact O-N 3Å; G44-I47 PolarHBondContact O-N 3.37Å; G44-I48 WeakPolarHBondContact O-CG1 3.49Å; G44-I48 PolarHBondContact O-N 2.69Å; G44-V96 WeakPolarHBondContact CA-O 3.32Å; G44-G100 WeakPolarHBondContact O-CA 3.44Å |
| 45 | R | 78 | Confident | 70.7 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 38% | 0.377 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.1 | -44 | 179 | -175.3 | -154.3 | -174.3 | 127.6 | -10.9 | 112 | L43 N49 E103 | L43-R45 PolarHBondContact O-N 2.57Å; R45-N49 WeakPolarHBondContact O-CB 3.23Å; R45-N49 PolarHBondContact O-N 2.9Å; R45-N49 PolarHBondContact O-ND2 3.04Å; R45-E103 HydrophobicContact CB-CB 4.14Å; R45-E103 WeakPolarHBondContact CD-OE2 3.25Å; R45-E103 HydrophobicContact CG-CB 4.12Å; R45-E103 WeakPolarHBondContact CG-OE2 3.49Å; R45-E103 IonicContact CZ-OE2 3.2Å; R45-E103 IonicContact NE-OE2 2.83Å; R45-E103 IonicContact NH1-OE2 3.67Å; R45-E103 PolarHBondContact NH1-OE2 3.43Å |
| 46 | F | 75.8 | Confident | 71.1 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 23% | 0.232 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.8 | -39 | -177.4 | -69.4 | -89.8 | 0 | 0 | 0 | 111.4 | K11 L14 L43 G44 N49 C50 | K11-F46 HydrophobicContact CB-CE1 4.49Å; K11-F46 HydrophobicContact CB-CE2 4.31Å; K11-F46 HydrophobicContact CB-CZ 4.22Å; K11-F46 HydrophobicContact CD-CE2 3.87Å; K11-F46 HydrophobicContact CD-CZ 4.23Å; K11-F46 HydrophobicContact CG-CD2 3.96Å; K11-F46 HydrophobicContact CG-CE2 3.66Å; K11-F46 HydrophobicContact CG-CZ 4.04Å; L14-F46 HydrophobicContact CB-CB 3.6Å; L14-F46 HydrophobicContact CB-CD1 4.21Å; L14-F46 HydrophobicContact CB-CG 4.24Å; L14-F46 HydrophobicContact CD1-CB 3.64Å; L14-F46 HydrophobicContact CD1-CG 4.46Å; L14-F46 HydrophobicContact CG-CB 4.12Å; L43-F46 WeakPolarHBondContact O-CB 3.21Å; L43-F46 PolarHBondContact O-N 3.2Å; G44-F46 VanDerWaalsContact C-N 3.28Å; G44-F46 PolarHBondContact O-N 3Å; F46-N49 PolarHBondContact O-N 3.22Å; F46-C50 PolarHBondContact O-N 3.23Å |
| 47 | I | 76 | Confident | 71.7 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.1 | -65.5 | 162.8 | 0 | 0 | 0 | 110.7 | L14 F24 L27 L43 G44 C50 F51 V96 | L14-I47 HydrophobicContact CD1-CG1 4.48Å; L14-I47 HydrophobicContact CD2-CG1 4.3Å; F24-I47 HydrophobicContact CZ-CG2 3.93Å; L27-I47 HydrophobicContact CD1-CD1 4.04Å; L27-I47 HydrophobicContact CD2-CD1 3.49Å; L27-I47 VanDerWaalsContact CD2-CD1 3.49Å; L27-I47 HydrophobicContact CD2-CG1 4.04Å; L27-I47 HydrophobicContact CG-CD1 4.41Å; L43-I47 HydrophobicContact CB-CD1 4.4Å; L43-I47 PolarHBondContact O-N 3.47Å; G44-I47 PolarHBondContact O-N 3.37Å; I47-C50 WeakPolarHBondContact O-CB 3.29Å; I47-C50 PolarHBondContact O-N 3.32Å; I47-F51 HydrophobicContact CG2-CD2 3.7Å; I47-F51 HydrophobicContact CG2-CE2 3.31Å; I47-F51 HydrophobicContact CG2-CZ 4.21Å; I47-F51 WeakPolarHBondContact O-CD2 3.41Å; I47-F51 PolarHBondContact O-N 3.32Å; I47-V96 HydrophobicContact CD1-CG1 3.95Å |
| 48 | I | 79.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.9 | -41.2 | -179.4 | -64.4 | -63.3 | 0 | 0 | 0 | 111.8 | G44 C50 F51 V52 L63 I67 C97 V101 Y104 | G44-I48 WeakPolarHBondContact O-CG1 3.49Å; G44-I48 PolarHBondContact O-N 2.69Å; I48-C50 PolarHBondContact O-N 2.87Å; I48-F51 HydrophobicContact CD1-CD2 4.31Å; I48-F51 PolarHBondContact O-N 3.3Å; I48-F51 VanDerWaalsContact O-N 3.17Å; I48-V52 HydrophobicContact CG2-CG2 4.18Å; I48-V52 WeakPolarHBondContact O-CG2 3.1Å; I48-V52 PolarHBondContact O-N 3.35Å; I48-L63 HydrophobicContact CD1-CD2 3.86Å; I48-L63 HydrophobicContact CG2-CD2 4.22Å; I48-I67 HydrophobicContact CD1-CD1 3.72Å; I48-C97 HydrophobicContact CD1-CB 4.4Å; I48-V101 HydrophobicContact CD1-CG2 3.64Å; I48-V101 HydrophobicContact CG1-CG2 4.05Å; I48-Y104 HydrophobicContact CG2-CD1 4.48Å; I48-Y104 HydrophobicContact CG2-CD2 4.03Å; I48-Y104 HydrophobicContact CG2-CG 3.81Å |
| 49 | N | 75.9 | Confident | 72.8 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.7 | -39.3 | 172.7 | -86.2 | -25 | 0 | 0 | 0 | 112.2 | R45 F46 R53 Y104 | R45-N49 WeakPolarHBondContact O-CB 3.23Å; R45-N49 PolarHBondContact O-N 2.9Å; R45-N49 PolarHBondContact O-ND2 3.04Å; F46-N49 PolarHBondContact O-N 3.22Å; N49-R53 WeakPolarHBondContact O-CB 3.48Å; N49-R53 WeakPolarHBondContact O-CG 3.48Å; N49-R53 PolarHBondContact O-N 2.63Å; N49-R53 VanDerWaalsContact O-N 3.16Å; N49-Y104 WeakPolarHBondContact OD1-CD2 3.35Å; N49-Y104 WeakPolarHBondContact OD1-CE2 3.29Å |
| 50 | C | 74.2 | Confident | 73.2 | Confident | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.176 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 176.4 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | L22 F46 I47 I48 R53 R54 | L22-C50 HydrophobicContact CD1-CB 4.1Å; L22-C50 WeakPolarHBondContact CD1-SG 3.1Å; F46-C50 PolarHBondContact O-N 3.23Å; I47-C50 WeakPolarHBondContact O-CB 3.29Å; I47-C50 PolarHBondContact O-N 3.32Å; I48-C50 PolarHBondContact O-N 2.87Å; C50-R53 PolarHBondContact O-N 3.46Å; C50-R54 PolarHBondContact O-N 3.02Å; C50-R54 VanDerWaalsContact O-N 3.07Å |
| 51 | F | 75.4 | Confident | 73.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 178 | -74.6 | -49.6 | 0 | 0 | 0 | 112.5 | F24 I47 I48 R53 R54 L55 L63 L74 L75 A78 F80 | F24-F51 HydrophobicContact CE2-CE1 4.01Å; F24-F51 HydrophobicContact CE2-CE2 4.32Å; F24-F51 AromaticContact CE2-CZ 3.55Å; F24-F51 HydrophobicContact CE2-CZ 3.55Å; F24-F51 HydrophobicContact CZ-CE1 4.31Å; F24-F51 AromaticContact CZ-CE2 3.93Å; F24-F51 HydrophobicContact CZ-CE2 3.93Å; F24-F51 AromaticContact CZ-CZ 3.41Å; F24-F51 HydrophobicContact CZ-CZ 3.41Å; F24-F51 VanDerWaalsContact CZ-CZ 3.41Å; I47-F51 HydrophobicContact CG2-CD2 3.7Å; I47-F51 HydrophobicContact CG2-CE2 3.31Å; I47-F51 HydrophobicContact CG2-CZ 4.21Å; I47-F51 WeakPolarHBondContact O-CD2 3.41Å; I47-F51 PolarHBondContact O-N 3.32Å; I48-F51 HydrophobicContact CD1-CD2 4.31Å; I48-F51 PolarHBondContact O-N 3.3Å; I48-F51 VanDerWaalsContact O-N 3.17Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 PolarHBondContact O-N 2.95Å; F51-R54 PolarHBondContact O-N 3.32Å; F51-R54 VanDerWaalsContact O-N 3.16Å; F51-L55 HydrophobicContact CB-CD1 4.4Å; F51-L55 HydrophobicContact CD1-CD1 4.32Å; F51-L55 WeakPolarHBondContact O-CB 3.41Å; F51-L55 PolarHBondContact O-N 3.41Å; F51-L63 HydrophobicContact CB-CD1 4.02Å; F51-L74 HydrophobicContact CD2-CD2 4.12Å; F51-L74 HydrophobicContact CE2-CD2 3.65Å; F51-L74 HydrophobicContact CE2-CG 4.46Å; F51-L74 HydrophobicContact CZ-CD2 3.91Å; F51-L74 HydrophobicContact CZ-CG 4.39Å; F51-L75 HydrophobicContact CZ-CD2 4.24Å; F51-A78 HydrophobicContact CD1-CB 3.43Å; F51-A78 VanDerWaalsContact CD1-CB 3.43Å; F51-A78 HydrophobicContact CE1-CB 3.26Å; F51-F80 HydrophobicContact CE1-CE2 4.31Å |
| 52 | V | 73.1 | Confident | 74.1 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.5 | -34.1 | 179.3 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | I48 L60 L63 Y104 | I48-V52 HydrophobicContact CG2-CG2 4.18Å; I48-V52 WeakPolarHBondContact O-CG2 3.1Å; I48-V52 PolarHBondContact O-N 3.35Å; V52-L60 HydrophobicContact CG2-CD1 4.35Å; V52-L63 HydrophobicContact CG2-CD2 4.47Å; V52-Y104 HydrophobicContact CB-CE2 4.28Å; V52-Y104 HydrophobicContact CG1-CE2 4.42Å; V52-Y104 VanDerWaalsContact CG1-OH 3.31Å; V52-Y104 WeakPolarHBondContact CG1-OH 3.26Å; V52-Y104 HydrophobicContact CG2-CE1 4.15Å; V52-Y104 HydrophobicContact CG2-CE2 4.13Å |
| 53 | R | 72.3 | Confident | 74.4 | Confident | 167 Ų | 167 | 54.7 Ų | 54.7 | 63% | 0.63 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70 | -33.3 | 174.4 | -78.7 | -178.8 | 178.1 | -179.7 | -0.3 | 113.4 | N49 C50 F51 H56 | N49-R53 WeakPolarHBondContact O-CB 3.48Å; N49-R53 WeakPolarHBondContact O-CG 3.48Å; N49-R53 PolarHBondContact O-N 2.63Å; N49-R53 VanDerWaalsContact O-N 3.16Å; C50-R53 PolarHBondContact O-N 3.46Å; F51-R53 VanDerWaalsContact C-N 3.28Å; F51-R53 PolarHBondContact O-N 2.95Å; R53-H56 PolarHBondContact O-CE1 3.14Å; R53-H56 PolarHBondContact O-NE2 3.15Å |
| 54 | R | 70.2 | Confident | 74.8 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -83.7 | -37.3 | -179.1 | -79.7 | -174 | 165.8 | -162.3 | -8.3 | 113.3 | C50 F51 H56 | C50-R54 PolarHBondContact O-N 3.02Å; C50-R54 VanDerWaalsContact O-N 3.07Å; F51-R54 PolarHBondContact O-N 3.32Å; F51-R54 VanDerWaalsContact O-N 3.16Å; R54-H56 PolarHBondContact O-N 3.17Å |
| 55 | L | 70.1 | Confident | 75 | Confident | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | trans | -100.7 | 68 | -172.8 | -65.4 | 163.5 | 0 | 0 | 0 | 109.9 | F51 N57 I58 L63 L77 A78 | F51-L55 HydrophobicContact CB-CD1 4.4Å; F51-L55 HydrophobicContact CD1-CD1 4.32Å; F51-L55 WeakPolarHBondContact O-CB 3.41Å; F51-L55 PolarHBondContact O-N 3.41Å; L55-N57 PolarHBondContact O-N 3.37Å; L55-I58 HydrophobicContact CB-CB 4.08Å; L55-I58 HydrophobicContact CB-CD1 4.06Å; L55-I58 HydrophobicContact CB-CG1 4.1Å; L55-I58 HydrophobicContact CD1-CD1 4.03Å; L55-I58 HydrophobicContact CD2-CD1 3.8Å; L55-I58 HydrophobicContact CG-CD1 4.17Å; L55-I58 PolarHBondContact O-N 3.39Å; L55-I58 VanDerWaalsContact O-N 3.13Å; L55-L63 HydrophobicContact CD1-CD1 4.22Å; L55-L77 HydrophobicContact CD2-CB 4.17Å; L55-L77 WeakPolarHBondContact CD2-O 3.49Å; L55-A78 HydrophobicContact CD1-CB 4.14Å | ||
| 56 | H | 63.6 | Low | 75.2 | Confident | 164 Ų | 164 | 53.2 Ų | 53.2 | 76% | 0.759 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -23.7 | -175.1 | -70.4 | -62.6 | 0 | 0 | 0 | 114.7 | R53 R54 | R53-H56 PolarHBondContact O-CE1 3.14Å; R53-H56 PolarHBondContact O-NE2 3.15Å; R54-H56 PolarHBondContact O-N 3.17Å |
| 57 | N | 69.3 | Low | 75.6 | Confident | 161 Ų | 161 | 50.7 Ų | 50.7 | 86% | 0.861 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -2.1 | -176.5 | -67.6 | -11.6 | 0 | 0 | 0 | 114.6 | L55 | L55-N57 PolarHBondContact O-N 3.37Š|
| 58 | I | 69.3 | Low | 75.8 | Confident | 41 Ų | 41 | 51.7 Ų | 51.7 | 21% | 0.21 | 26% | 0.259 | C | S | . | . | trans | -98.5 | 122.2 | -176.4 | -62.1 | -172.5 | 0 | 0 | 0 | 109.4 | L55 E62 L63 L77 | L55-I58 HydrophobicContact CB-CB 4.08Å; L55-I58 HydrophobicContact CB-CD1 4.06Å; L55-I58 HydrophobicContact CB-CG1 4.1Å; L55-I58 HydrophobicContact CD1-CD1 4.03Å; L55-I58 HydrophobicContact CD2-CD1 3.8Å; L55-I58 HydrophobicContact CG-CD1 4.17Å; L55-I58 PolarHBondContact O-N 3.39Å; L55-I58 VanDerWaalsContact O-N 3.13Å; I58-E62 HydrophobicContact CG2-CB 3.73Å; I58-L63 HydrophobicContact CG2-CB 4.24Å; I58-L63 HydrophobicContact CG2-CD1 4.43Å; I58-L77 HydrophobicContact CD1-CB 4.3Å; I58-L77 HydrophobicContact CD1-CD1 3.83Å; I58-L77 HydrophobicContact CD1-CG 4.46Å | ||
| 59 | S | 75.5 | Confident | 75.8 | Confident | 44 Ų | 44 | 58 Ų | 58 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | trans | -66.8 | 151.3 | 173.4 | 67 | 0 | 0 | 0 | 0 | 110.7 | T61 E62 L63 | S59-T61 PolarHBondContact O-N 3.35Å; S59-T61 VanDerWaalsContact O-N 3.11Å; S59-E62 WeakPolarHBondContact CB-OE2 2.93Å; S59-E62 PolarHBondContact N-OE2 2.7Å; S59-E62 PolarHBondContact O-N 2.88Å; S59-E62 VanDerWaalsContact O-N 3.09Å; S59-E62 VanDerWaalsContact OG-CD 3.24Å; S59-E62 VanDerWaalsContact OG-CG 3.29Å; S59-E62 WeakPolarHBondContact OG-CG 3.04Å; S59-E62 PolarHBondContact OG-N 3.44Å; S59-E62 PolarHBondContact OG-OE2 3.32Å; S59-L63 PolarHBondContact O-N 3.39Å | ||
| 60 | L | 76.6 | Confident | 76 | Confident | 42 Ų | 42 | 58.4 Ų | 58.4 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -28.2 | 176.4 | -166.1 | 71.6 | 0 | 0 | 0 | 112.4 | V52 L63 T64 Y104 I105 I117 | V52-L60 HydrophobicContact CG2-CD1 4.35Å; L60-L63 HydrophobicContact CD1-CD2 4.06Å; L60-T64 WeakPolarHBondContact O-CB 3.29Å; L60-T64 PolarHBondContact O-N 2.98Å; L60-T64 PolarHBondContact O-OG1 3.43Å; L60-Y104 HydrophobicContact CD1-CD1 3.75Å; L60-Y104 HydrophobicContact CD1-CE1 4.09Å; L60-Y104 HydrophobicContact CD2-CD1 4.07Å; L60-Y104 HydrophobicContact CD2-CE1 4.49Å; L60-I105 HydrophobicContact CD2-CD1 3.91Å; L60-I105 HydrophobicContact CD2-CG1 3.39Å; L60-I117 HydrophobicContact CB-CD1 4.12Å; L60-I117 HydrophobicContact CD2-CD1 3.88Å; L60-I117 HydrophobicContact CG-CD1 3.87Å |
| 61 | T | 76.7 | Confident | 76.1 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 175.6 | -15 | 0 | 0 | 0 | 0 | 111.4 | S59 T64 S65 N113 F116 I117 | S59-T61 PolarHBondContact O-N 3.35Å; S59-T61 VanDerWaalsContact O-N 3.11Å; T61-T64 PolarHBondContact O-N 3.14Å; T61-S65 PolarHBondContact O-N 3.31Å; T61-N113 HydrophobicContact CG2-CB 4.37Å; T61-N113 PolarHBondContact OG1-ND2 3.35Å; T61-F116 HydrophobicContact CG2-CD1 3.67Å; T61-F116 HydrophobicContact CG2-CE1 4.36Å; T61-F116 HydrophobicContact CG2-CG 4.45Å; T61-I117 HydrophobicContact CG2-CG1 4.12Å |
| 62 | E | 78.4 | Confident | 76 | Confident | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 174.5 | -72.6 | 160.1 | 152.7 | 0 | 0 | 110.8 | I58 S59 T64 S65 L66 | I58-E62 HydrophobicContact CG2-CB 3.73Å; S59-E62 WeakPolarHBondContact CB-OE2 2.93Å; S59-E62 PolarHBondContact N-OE2 2.7Å; S59-E62 PolarHBondContact O-N 2.88Å; S59-E62 VanDerWaalsContact O-N 3.09Å; S59-E62 VanDerWaalsContact OG-CD 3.24Å; S59-E62 VanDerWaalsContact OG-CG 3.29Å; S59-E62 WeakPolarHBondContact OG-CG 3.04Å; S59-E62 PolarHBondContact OG-N 3.44Å; S59-E62 PolarHBondContact OG-OE2 3.32Å; E62-T64 VanDerWaalsContact C-N 3.29Å; E62-T64 PolarHBondContact O-N 3.23Å; E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 2.96Å; E62-L66 WeakPolarHBondContact O-CB 3.5Å; E62-L66 VanDerWaalsContact O-CG 3.23Å; E62-L66 WeakPolarHBondContact O-CG 3.48Å; E62-L66 PolarHBondContact O-N 3.23Å |
| 63 | L | 81.1 | Confident | 76.1 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.8 | -44.4 | 176 | -164.4 | 96.7 | 0 | 0 | 0 | 111.8 | I48 F51 V52 L55 I58 S59 L60 L66 I67 L74 | I48-L63 HydrophobicContact CD1-CD2 3.86Å; I48-L63 HydrophobicContact CG2-CD2 4.22Å; F51-L63 HydrophobicContact CB-CD1 4.02Å; V52-L63 HydrophobicContact CG2-CD2 4.47Å; L55-L63 HydrophobicContact CD1-CD1 4.22Å; I58-L63 HydrophobicContact CG2-CB 4.24Å; I58-L63 HydrophobicContact CG2-CD1 4.43Å; S59-L63 PolarHBondContact O-N 3.39Å; L60-L63 HydrophobicContact CD1-CD2 4.06Å; L63-L66 PolarHBondContact O-N 3.19Å; L63-I67 HydrophobicContact CD2-CD1 4.32Å; L63-I67 HydrophobicContact CG-CD1 4.42Å; L63-I67 WeakPolarHBondContact O-CD1 3.08Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.48Å; L63-L74 HydrophobicContact CD1-CD1 3.51Å; L63-L74 HydrophobicContact CG-CD1 3.78Å |
| 64 | T | 82.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | L60 T61 E62 L66 I67 L68 L98 I117 I121 | L60-T64 WeakPolarHBondContact O-CB 3.29Å; L60-T64 PolarHBondContact O-N 2.98Å; L60-T64 PolarHBondContact O-OG1 3.43Å; T61-T64 PolarHBondContact O-N 3.14Å; E62-T64 VanDerWaalsContact C-N 3.29Å; E62-T64 PolarHBondContact O-N 3.23Å; T64-L66 VanDerWaalsContact C-N 3.26Å; T64-L66 PolarHBondContact O-N 3.18Å; T64-I67 PolarHBondContact O-N 3.49Å; T64-L68 HydrophobicContact CG2-CD1 3.94Å; T64-L68 HydrophobicContact CG2-CG 4.44Å; T64-L68 WeakPolarHBondContact O-CG 3.33Å; T64-L68 PolarHBondContact O-N 2.83Å; T64-L98 HydrophobicContact CG2-CD2 4.32Å; T64-I117 HydrophobicContact CG2-CB 4.41Å; T64-I117 HydrophobicContact CG2-CG1 4.41Å; T64-I117 HydrophobicContact CG2-CG2 3.76Å; T64-I121 HydrophobicContact CG2-CG1 4.29Å |
| 65 | S | 81.9 | Confident | 76.3 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 175.6 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | T61 E62 L68 N69 | T61-S65 PolarHBondContact O-N 3.31Å; E62-S65 WeakPolarHBondContact O-CB 3.4Å; E62-S65 PolarHBondContact O-N 2.96Å; S65-L68 PolarHBondContact O-N 3.04Å; S65-N69 WeakPolarHBondContact O-CB 3.26Å; S65-N69 PolarHBondContact O-N 3.28Å; S65-N69 PolarHBondContact O-ND2 3.44Å; S65-N69 PolarHBondContact OG-ND2 3.39Å |
| 66 | L | 81.5 | Confident | 76.4 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -48.5 | 174.5 | -68.1 | 166.9 | 0 | 0 | 0 | 110.9 | E62 L63 T64 L68 D70 I71 M73 L74 L77 | E62-L66 WeakPolarHBondContact O-CB 3.5Å; E62-L66 VanDerWaalsContact O-CG 3.23Å; E62-L66 WeakPolarHBondContact O-CG 3.48Å; E62-L66 PolarHBondContact O-N 3.23Å; L63-L66 PolarHBondContact O-N 3.19Å; T64-L66 VanDerWaalsContact C-N 3.26Å; T64-L66 PolarHBondContact O-N 3.18Å; L66-L68 VanDerWaalsContact C-N 3.26Å; L66-L68 PolarHBondContact O-N 3.24Å; L66-D70 CarbonylContact O-C 3.59Å; L66-D70 WeakPolarHBondContact O-CA 3.38Å; L66-D70 PolarHBondContact O-N 3.49Å; L66-I71 WeakPolarHBondContact O-CA 3.21Å; L66-I71 PolarHBondContact O-N 3Å; L66-M73 HydrophobicContact CD2-CB 3.97Å; L66-M73 HydrophobicContact CD2-CE 3.27Å; L66-M73 HydrophobicContact CD2-CG 4.28Å; L66-M73 HydrophobicContact CD2-SD 3.4Å; L66-M73 WeakPolarHBondContact CD2-SD 3.13Å; L66-L74 HydrophobicContact CB-CB 3.95Å; L66-L74 HydrophobicContact CB-CD1 3.86Å; L66-L74 HydrophobicContact CD1-CD1 3.99Å; L66-L77 HydrophobicContact CD1-CD1 3.63Å; L66-L77 HydrophobicContact CD2-CD1 4.35Å |
| 67 | I | 83.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -42.2 | 177.1 | -66.8 | 159.2 | 0 | 0 | 0 | 111.7 | I48 L63 T64 I71 L74 Q94 C97 L98 V101 | I48-I67 HydrophobicContact CD1-CD1 3.72Å; L63-I67 HydrophobicContact CD2-CD1 4.32Å; L63-I67 HydrophobicContact CG-CD1 4.42Å; L63-I67 WeakPolarHBondContact O-CD1 3.08Å; L63-I67 VanDerWaalsContact O-CG1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.48Å; T64-I67 PolarHBondContact O-N 3.49Å; I67-I71 HydrophobicContact CG2-CD1 4.4Å; I67-L74 HydrophobicContact CD1-CD2 4.45Å; I67-L74 HydrophobicContact CG1-CD2 3.67Å; I67-Q94 WeakPolarHBondContact O-CG 3.48Å; I67-Q94 PolarHBondContact O-NE2 3.37Å; I67-C97 HydrophobicContact CD1-CB 3.97Å; I67-C97 HydrophobicContact CG1-CB 4.12Å; I67-C97 HydrophobicContact CG2-CB 3.81Å; I67-L98 HydrophobicContact CB-CD2 4.36Å; I67-L98 HydrophobicContact CG2-CD2 3.71Å; I67-L98 HydrophobicContact CG2-CG 3.82Å; I67-V101 HydrophobicContact CD1-CG2 3.55Å |
| 68 | L | 80.4 | Confident | 76.4 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.3 | -48.9 | -175.4 | -72.1 | 171.5 | 0 | 0 | 0 | 113.6 | T64 S65 L66 Q94 L98 F124 | T64-L68 HydrophobicContact CG2-CD1 3.94Å; T64-L68 HydrophobicContact CG2-CG 4.44Å; T64-L68 WeakPolarHBondContact O-CG 3.33Å; T64-L68 PolarHBondContact O-N 2.83Å; S65-L68 PolarHBondContact O-N 3.04Å; L66-L68 VanDerWaalsContact C-N 3.26Å; L66-L68 PolarHBondContact O-N 3.24Å; L68-Q94 PolarHBondContact O-NE2 2.95Å; L68-L98 HydrophobicContact CD2-CD1 3.72Å; L68-L98 HydrophobicContact CD2-CD2 4.02Å; L68-L98 HydrophobicContact CD2-CG 4.42Å; L68-L98 HydrophobicContact CG-CD2 4.18Å; L68-F124 HydrophobicContact CD2-CB 3.54Å; L68-F124 HydrophobicContact CD2-CD2 3.89Å; L68-F124 HydrophobicContact CD2-CG 3.75Å |
| 69 | N | 80.3 | Confident | 76.2 | Confident | 131 Ų | 131 | 41.1 Ų | 41.1 | 70% | 0.701 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -98.2 | -30.6 | -169.9 | -62.6 | -39.6 | 0 | 0 | 0 | 112.7 | S65 | S65-N69 WeakPolarHBondContact O-CB 3.26Å; S65-N69 PolarHBondContact O-N 3.28Å; S65-N69 PolarHBondContact O-ND2 3.44Å; S65-N69 PolarHBondContact OG-ND2 3.39Å |
| 70 | D | 80.2 | Confident | 75.7 | Confident | 64 Ų | 64 | 40.3 Ų | 40.3 | 34% | 0.342 | 23% | 0.225 | S | C | . | . | trans | -155.8 | 66.8 | -171.1 | -162 | -15.6 | 0 | 0 | 0 | 112.2 | L66 Y72 M73 L74 | L66-D70 CarbonylContact O-C 3.59Å; L66-D70 WeakPolarHBondContact O-CA 3.38Å; L66-D70 PolarHBondContact O-N 3.49Å; D70-Y72 PolarHBondContact O-N 3.32Å; D70-Y72 VanDerWaalsContact O-N 3.08Å; D70-M73 HydrophobicContact CB-CB 4.1Å; D70-M73 VanDerWaalsContact CG-CB 3.45Å; D70-M73 PolarHBondContact O-N 3.47Å; D70-M73 PolarHBondContact OD1-N 3.17Å; D70-M73 WeakPolarHBondContact OD2-CB 3.43Å; D70-L74 PolarHBondContact O-N 2.66Å | ||
| 71 | I | 77 | Confident | 74.6 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -22.7 | -178.4 | -162.1 | 162 | 0 | 0 | 0 | 111.6 | L66 I67 L74 L75 L93 Q94 | L66-I71 WeakPolarHBondContact O-CA 3.21Å; L66-I71 PolarHBondContact O-N 3Å; I67-I71 HydrophobicContact CG2-CD1 4.4Å; I71-L74 WeakPolarHBondContact O-CB 3.5Å; I71-L74 PolarHBondContact O-N 3.38Å; I71-L75 WeakPolarHBondContact O-CG 3.01Å; I71-L75 PolarHBondContact O-N 2.85Å; I71-L75 VanDerWaalsContact O-N 3.16Å; I71-L93 HydrophobicContact CD1-CB 4.21Å; I71-L93 HydrophobicContact CD1-CD2 3.72Å; I71-L93 HydrophobicContact CD1-CG 3.81Å; I71-L93 HydrophobicContact CG1-CD2 4.29Å; I71-Q94 HydrophobicContact CB-CG 4.34Å; I71-Q94 HydrophobicContact CD1-CB 4.37Å; I71-Q94 HydrophobicContact CD1-CG 3.63Å |
| 72 | Y | 71.8 | Confident | 73.8 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 29% | 0.286 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 174.1 | 174.7 | -95.5 | 0 | 0 | 0 | 111.5 | D70 L74 L75 T76 I83 K84 K1485 | D70-Y72 PolarHBondContact O-N 3.32Å; D70-Y72 VanDerWaalsContact O-N 3.08Å; Y72-L74 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 3.11Å; Y72-L75 PolarHBondContact O-N 3.33Å; Y72-T76 PolarHBondContact O-N 3.36Å; Y72-T76 PolarHBondContact O-OG1 2.87Å; Y72-I83 WeakPolarHBondContact CD2-O 3.15Å; Y72-I83 VanDerWaalsContact CE2-O 3.3Å; Y72-I83 WeakPolarHBondContact CE2-O 3.29Å; Y72-K84 HydrophobicContact CD2-CG 3.98Å; Y72-K84 HydrophobicContact CE2-CG 3.76Å; Y72-K1485 WeakPolarHBondContact OH-CE 3.46Å; Y72-K1485 PolarHBondContact OH-NZ 2.94Å |
| 73 | M | 76.2 | Confident | 72.6 | Confident | 82 Ų | 82 | 45 Ų | 45 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.6 | -32.5 | 175.9 | -156 | -123.8 | -62.9 | 0 | 0 | 112.3 | L66 D70 T76 L77 | L66-M73 HydrophobicContact CD2-CB 3.97Å; L66-M73 HydrophobicContact CD2-CE 3.27Å; L66-M73 HydrophobicContact CD2-CG 4.28Å; L66-M73 HydrophobicContact CD2-SD 3.4Å; L66-M73 WeakPolarHBondContact CD2-SD 3.13Å; D70-M73 HydrophobicContact CB-CB 4.1Å; D70-M73 VanDerWaalsContact CG-CB 3.45Å; D70-M73 PolarHBondContact O-N 3.47Å; D70-M73 PolarHBondContact OD1-N 3.17Å; D70-M73 WeakPolarHBondContact OD2-CB 3.43Å; M73-T76 PolarHBondContact O-N 3.43Å; M73-L77 HydrophobicContact CG-CD1 4.49Å; M73-L77 WeakPolarHBondContact O-CB 3.12Å; M73-L77 WeakPolarHBondContact O-CG 3.38Å; M73-L77 PolarHBondContact O-N 3.38Å; M73-L77 HydrophobicContact SD-CD1 3.63Å; M73-L77 HydrophobicContact SD-CG 4.3Å |
| 74 | L | 73.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -51 | 169.9 | -172.8 | 83.7 | 0 | 0 | 0 | 112.1 | F51 L63 L66 I67 D70 I71 Y72 T76 L77 A78 | F51-L74 HydrophobicContact CD2-CD2 4.12Å; F51-L74 HydrophobicContact CE2-CD2 3.65Å; F51-L74 HydrophobicContact CE2-CG 4.46Å; F51-L74 HydrophobicContact CZ-CD2 3.91Å; F51-L74 HydrophobicContact CZ-CG 4.39Å; L63-L74 HydrophobicContact CD1-CD1 3.51Å; L63-L74 HydrophobicContact CG-CD1 3.78Å; L66-L74 HydrophobicContact CB-CB 3.95Å; L66-L74 HydrophobicContact CB-CD1 3.86Å; L66-L74 HydrophobicContact CD1-CD1 3.99Å; I67-L74 HydrophobicContact CD1-CD2 4.45Å; I67-L74 HydrophobicContact CG1-CD2 3.67Å; D70-L74 PolarHBondContact O-N 2.66Å; I71-L74 WeakPolarHBondContact O-CB 3.5Å; I71-L74 PolarHBondContact O-N 3.38Å; Y72-L74 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 3.11Å; L74-T76 VanDerWaalsContact C-N 3.27Å; L74-T76 PolarHBondContact O-N 3.25Å; L74-L77 PolarHBondContact O-N 2.98Å; L74-A78 WeakPolarHBondContact O-CB 3.33Å; L74-A78 PolarHBondContact O-N 3.3Å |
| 75 | L | 73.3 | Confident | 70.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 178.7 | -70.4 | 167.2 | 0 | 0 | 0 | 110.1 | F24 F51 I71 Y72 A78 F80 I85 L93 | F24-L75 HydrophobicContact CD1-CD2 3.85Å; F24-L75 HydrophobicContact CD2-CD2 4.44Å; F24-L75 HydrophobicContact CE1-CD2 3.57Å; F24-L75 HydrophobicContact CE2-CD2 4.2Å; F24-L75 HydrophobicContact CG-CD2 4.3Å; F24-L75 HydrophobicContact CZ-CD2 3.79Å; F51-L75 HydrophobicContact CZ-CD2 4.24Å; I71-L75 WeakPolarHBondContact O-CG 3.01Å; I71-L75 PolarHBondContact O-N 2.85Å; I71-L75 VanDerWaalsContact O-N 3.16Å; Y72-L75 PolarHBondContact O-N 3.33Å; L75-A78 PolarHBondContact O-N 3.32Å; L75-F80 HydrophobicContact CB-CB 4.39Å; L75-F80 WeakPolarHBondContact O-CA 3.27Å; L75-F80 VanDerWaalsContact O-CB 3.27Å; L75-F80 WeakPolarHBondContact O-CB 3.31Å; L75-F80 WeakPolarHBondContact O-CD2 3.49Å; L75-F80 PolarHBondContact O-N 3Å; L75-I85 HydrophobicContact CD1-CD1 3.63Å; L75-I85 HydrophobicContact CD1-CG1 4.26Å; L75-L93 HydrophobicContact CD1-CD2 4.48Å |
| 76 | T | 72 | Confident | 69.5 | Low | 42 Ų | 42 | 51.3 Ų | 51.3 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 178.6 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | Y72 M73 L74 A78 G79 Q81 | Y72-T76 PolarHBondContact O-N 3.36Å; Y72-T76 PolarHBondContact O-OG1 2.87Å; M73-T76 PolarHBondContact O-N 3.43Å; L74-T76 VanDerWaalsContact C-N 3.27Å; L74-T76 PolarHBondContact O-N 3.25Å; T76-A78 VanDerWaalsContact C-N 3.34Å; T76-A78 PolarHBondContact O-N 3.42Å; T76-G79 PolarHBondContact O-N 3.43Å; T76-G79 VanDerWaalsContact O-N 3.16Å; T76-Q81 HydrophobicContact CG2-CG 4.31Å |
| 77 | L | 67.5 | Low | 69 | Low | 82 Ų | 82 | 52.8 Ų | 52.8 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 178.3 | -78.3 | 165.8 | 0 | 0 | 0 | 112.5 | L55 I58 L66 M73 L74 G79 | L55-L77 HydrophobicContact CD2-CB 4.17Å; L55-L77 WeakPolarHBondContact CD2-O 3.49Å; I58-L77 HydrophobicContact CD1-CB 4.3Å; I58-L77 HydrophobicContact CD1-CD1 3.83Å; I58-L77 HydrophobicContact CD1-CG 4.46Å; L66-L77 HydrophobicContact CD1-CD1 3.63Å; L66-L77 HydrophobicContact CD2-CD1 4.35Å; M73-L77 HydrophobicContact CG-CD1 4.49Å; M73-L77 WeakPolarHBondContact O-CB 3.12Å; M73-L77 WeakPolarHBondContact O-CG 3.38Å; M73-L77 PolarHBondContact O-N 3.38Å; M73-L77 HydrophobicContact SD-CD1 3.63Å; M73-L77 HydrophobicContact SD-CG 4.3Å; L74-L77 PolarHBondContact O-N 2.98Å; L77-G79 PolarHBondContact O-N 2.97Å |
| 78 | A | 66.3 | Low | 68 | Low | 7 Ų | 7 | 56.5 Ų | 56.5 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 5.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F51 L55 L74 L75 T76 F80 | F51-A78 HydrophobicContact CD1-CB 3.43Å; F51-A78 VanDerWaalsContact CD1-CB 3.43Å; F51-A78 HydrophobicContact CE1-CB 3.26Å; L55-A78 HydrophobicContact CD1-CB 4.14Å; L74-A78 WeakPolarHBondContact O-CB 3.33Å; L74-A78 PolarHBondContact O-N 3.3Å; L75-A78 PolarHBondContact O-N 3.32Å; T76-A78 VanDerWaalsContact C-N 3.34Å; T76-A78 PolarHBondContact O-N 3.42Å; A78-F80 HydrophobicContact CB-CD2 3.82Å; A78-F80 HydrophobicContact CB-CE2 3.87Å |
| 79 | G | 65.2 | Low | 67.6 | Low | 59 Ų | 59 | 56.5 Ų | 56.5 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | 6.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T76 L77 Q81 | T76-G79 PolarHBondContact O-N 3.43Å; T76-G79 VanDerWaalsContact O-N 3.16Å; L77-G79 PolarHBondContact O-N 2.97Å; G79-Q81 PolarHBondContact O-N 3.33Å |
| 80 | F | 63.6 | Low | 67.4 | Low | 28 Ų | 28 | 50.9 Ų | 50.9 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | trans | -95.9 | 75.5 | 178.8 | -52 | -79.4 | 0 | 0 | 0 | 109.9 | L22 F24 F51 L75 A78 D82 I83 | L22-F80 HydrophobicContact CB-CE1 4.43Å; L22-F80 HydrophobicContact CB-CZ 3.9Å; L22-F80 WeakPolarHBondContact O-CE1 3.4Å; F24-F80 HydrophobicContact CB-CE1 4.37Å; F24-F80 HydrophobicContact CD2-CD2 4.21Å; F24-F80 HydrophobicContact CD2-CE1 4.15Å; F24-F80 AromaticContact CD2-CE2 3.7Å; F24-F80 HydrophobicContact CD2-CE2 3.7Å; F24-F80 AromaticContact CD2-CZ 3.66Å; F24-F80 HydrophobicContact CD2-CZ 3.66Å; F24-F80 HydrophobicContact CE2-CE2 4.01Å; F24-F80 HydrophobicContact CE2-CZ 4.33Å; F51-F80 HydrophobicContact CE1-CE2 4.31Å; L75-F80 HydrophobicContact CB-CB 4.39Å; L75-F80 WeakPolarHBondContact O-CA 3.27Å; L75-F80 VanDerWaalsContact O-CB 3.27Å; L75-F80 WeakPolarHBondContact O-CB 3.31Å; L75-F80 WeakPolarHBondContact O-CD2 3.49Å; L75-F80 PolarHBondContact O-N 3Å; A78-F80 HydrophobicContact CB-CD2 3.82Å; A78-F80 HydrophobicContact CB-CE2 3.87Å; F80-D82 PolarHBondContact O-N 3.33Å; F80-I83 HydrophobicContact CB-CD1 4.15Å | ||
| 81 | Q | 54.5 | Low | 67.1 | Low | 148 Ų | 148 | 49.4 Ų | 49.4 | 69% | 0.692 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 126.2 | 163 | -62.4 | -179.6 | -7.5 | 0 | 0 | 106.6 | T76 G79 | T76-Q81 HydrophobicContact CG2-CG 4.31Å; G79-Q81 PolarHBondContact O-N 3.33Å |
| 82 | D | 58.4 | Low | 67 | Low | 86 Ų | 86 | 49.5 Ų | 49.5 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.8 | 0 | 168 | -50.4 | -32.5 | 0 | 0 | 0 | 120.4 | F80 K1485 | F80-D82 PolarHBondContact O-N 3.33Å; D82-K1485 VanDerWaalsContact CA-CD 3.5Å; D82-K1485 VanDerWaalsContact CA-NZ 3.27Å; D82-K1485 HydrophobicContact CB-CD 4.12Å; D82-K1485 VanDerWaalsContact N-NZ 3.16Å; D82-K1485 WeakPolarHBondContact O-CD 3.34Å; D82-K1485 IonicContact OD1-NZ 2.74Å; D82-K1485 PolarHBondContact OD1-NZ 3.31Å |
| 83 | I | 55 | Low | 67.4 | Low | 32 Ų | 32 | 46.1 Ų | 46.1 | 16% | 0.164 | 26% | 0.26 | C | S | . | . | trans | -97.7 | 107.6 | 175.2 | -50.5 | 178.2 | 0 | 0 | 0 | 110.8 | F24 I28 Y72 F80 I85 | F24-I83 HydrophobicContact CB-CD1 3.93Å; I28-I83 HydrophobicContact CD1-CD1 4.33Å; I28-I83 HydrophobicContact CD1-CG2 3.39Å; Y72-I83 WeakPolarHBondContact CD2-O 3.15Å; Y72-I83 VanDerWaalsContact CE2-O 3.3Å; Y72-I83 WeakPolarHBondContact CE2-O 3.29Å; F80-I83 HydrophobicContact CB-CD1 4.15Å; I83-I85 HydrophobicContact CG2-CD1 3.9Å; I83-I85 HydrophobicContact CG2-CG1 3.54Å | ||
| 84 | K | 58.4 | Low | 67.8 | Low | 69 Ų | 69 | 43.1 Ų | 43.1 | 30% | 0.3 | 24% | 0.244 | S | C | . | . | trans | -102.4 | 107.1 | 172.6 | -117.7 | -176.7 | -156.4 | 178.2 | 0 | 109.3 | Y72 T1484 K1485 | Y72-K84 HydrophobicContact CD2-CG 3.98Å; Y72-K84 HydrophobicContact CE2-CG 3.76Å; K84-T1484 WeakPolarHBondContact CB-OG1 3.48Å; K84-T1484 VanDerWaalsContact CD-CB 3.49Å; K84-T1484 WeakPolarHBondContact CD-O 3.47Å; K84-T1484 WeakPolarHBondContact CD-OG1 3.37Å; K84-T1484 WeakPolarHBondContact CE-O 3.43Å; K84-T1484 WeakPolarHBondContact CG-OG1 3.25Å; K84-T1484 PolarHBondContact NZ-O 3.05Å; K84-K1485 HydrophobicContact CB-CB 3.94Å; K84-K1485 HydrophobicContact CB-CD 4.44Å; K84-K1485 HydrophobicContact CB-CG 4.1Å; K84-K1485 HydrophobicContact CD-CB 3.74Å; K84-K1485 HydrophobicContact CD-CG 3.54Å; K84-K1485 VanDerWaalsContact CD-N 3.28Å; K84-K1485 HydrophobicContact CG-CB 4.2Å; K84-K1485 HydrophobicContact CG-CD 4.47Å; K84-K1485 HydrophobicContact CG-CG 3.91Å | ||
| 85 | I | 58.9 | Low | 68 | Low | 20 Ų | 20 | 43.1 Ų | 43.1 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | trans | -106.2 | 118.9 | -178.8 | -47.4 | 179.8 | 0 | 0 | 0 | 107.4 | I28 L75 I83 V89 A90 L93 | I28-I85 HydrophobicContact CD1-CD1 3.58Å; I28-I85 HydrophobicContact CD1-CG1 4.08Å; I28-I85 HydrophobicContact CG1-CD1 3.93Å; L75-I85 HydrophobicContact CD1-CD1 3.63Å; L75-I85 HydrophobicContact CD1-CG1 4.26Å; I83-I85 HydrophobicContact CG2-CD1 3.9Å; I83-I85 HydrophobicContact CG2-CG1 3.54Å; I85-V89 HydrophobicContact CG2-CB 3.85Å; I85-V89 HydrophobicContact CG2-CG1 3.68Å; I85-A90 HydrophobicContact CB-CB 4.41Å; I85-A90 HydrophobicContact CG2-CB 3.88Å; I85-L93 HydrophobicContact CD1-CD2 3.49Å; I85-L93 VanDerWaalsContact CD1-CD2 3.49Å | ||
| 86 | E | 61.3 | Low | 68.4 | Low | 100 Ų | 100 | 43 Ų | 43 | 47% | 0.467 | 24% | 0.244 | S | C | . | . | trans | -131.2 | 164 | 177.4 | -76.7 | -173.2 | -153 | 0 | 0 | 112.4 | T1484 | E86-T1484 HydrophobicContact CB-CG2 4.09Å; E86-T1484 VanDerWaalsContact CD-OG1 3.24Å; E86-T1484 HydrophobicContact CG-CG2 3.82Å; E86-T1484 WeakPolarHBondContact CG-OG1 3.43Å; E86-T1484 WeakPolarHBondContact OE1-CB 3.29Å; E86-T1484 WeakPolarHBondContact OE1-CG2 3.4Å; E86-T1484 PolarHBondContact OE1-OG1 3.34Å; E86-T1484 WeakPolarHBondContact OE2-CG2 3.01Å | ||
| 87 | G | 70.8 | Confident | 69 | Low | 47 Ų | 47 | 41.1 Ų | 41.1 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -143.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V89 A90 E91 | G87-V89 PolarHBondContact O-N 3.47Å; G87-V89 VanDerWaalsContact O-N 3.13Å; G87-A90 PolarHBondContact O-N 3.24Å; G87-A90 VanDerWaalsContact O-N 3.13Å; G87-E91 WeakPolarHBondContact O-CG 3.35Å; G87-E91 PolarHBondContact O-N 2.87Å |
| 88 | L | 64.6 | Low | 69.8 | Low | 78 Ų | 78 | 37.2 Ų | 37.2 | 41% | 0.408 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.7 | -36.5 | -170.5 | -150.7 | 106.2 | 0 | 0 | 0 | 112.4 | E91 Q92 V136 | L88-E91 WeakPolarHBondContact O-CB 3.04Å; L88-E91 PolarHBondContact O-N 3.07Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 3.23Å; L88-V136 HydrophobicContact CD1-CG2 3.6Å; L88-V136 HydrophobicContact CG-CG2 3.92Å |
| 89 | V | 71.7 | Confident | 70.6 | Confident | 24 Ų | 24 | 37.7 Ų | 37.7 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -40.7 | -178.2 | -174.1 | 0 | 0 | 0 | 0 | 112 | I28 L32 I85 G87 E91 Q92 L93 | I28-V89 HydrophobicContact CG2-CG1 4.25Å; L32-V89 HydrophobicContact CD2-CG2 3.33Å; L32-V89 HydrophobicContact CG-CG2 3.82Å; I85-V89 HydrophobicContact CG2-CB 3.85Å; I85-V89 HydrophobicContact CG2-CG1 3.68Å; G87-V89 PolarHBondContact O-N 3.47Å; G87-V89 VanDerWaalsContact O-N 3.13Å; V89-E91 VanDerWaalsContact C-N 3.27Å; V89-E91 PolarHBondContact O-N 2.97Å; V89-Q92 PolarHBondContact O-N 2.84Å; V89-L93 WeakPolarHBondContact O-CB 3.45Å; V89-L93 PolarHBondContact O-N 2.85Å |
| 90 | A | 75.3 | Confident | 71.4 | Confident | 12 Ų | 12 | 34.9 Ų | 34.9 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | I85 G87 L93 Q94 | I85-A90 HydrophobicContact CB-CB 4.41Å; I85-A90 HydrophobicContact CG2-CB 3.88Å; G87-A90 PolarHBondContact O-N 3.24Å; G87-A90 VanDerWaalsContact O-N 3.13Å; A90-L93 PolarHBondContact O-N 2.68Å; A90-Q94 WeakPolarHBondContact O-CB 3.4Å; A90-Q94 VanDerWaalsContact O-CG 3.25Å; A90-Q94 WeakPolarHBondContact O-CG 3.41Å; A90-Q94 PolarHBondContact O-N 2.78Å |
| 91 | E | 74.1 | Confident | 72.4 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.9 | -59.3 | 178.6 | 166.4 | 0 | 0 | 111.4 | G87 L88 V89 I95 R128 | G87-E91 WeakPolarHBondContact O-CG 3.35Å; G87-E91 PolarHBondContact O-N 2.87Å; L88-E91 WeakPolarHBondContact O-CB 3.04Å; L88-E91 PolarHBondContact O-N 3.07Å; V89-E91 VanDerWaalsContact C-N 3.27Å; V89-E91 PolarHBondContact O-N 2.97Å; E91-I95 WeakPolarHBondContact O-CG1 3.29Å; E91-I95 PolarHBondContact O-N 3.4Å; E91-R128 IonicContact OE1-CZ 3.73Å; E91-R128 IonicContact OE1-NH1 2.69Å; E91-R128 PolarHBondContact OE1-NH1 3.21Å; E91-R128 IonicContact OE1-NH2 2.83Å; E91-R128 IonicContact OE2-NH1 3.72Å |
| 92 | Q | 75.1 | Confident | 73.6 | Confident | 15 Ų | 15 | 26.7 Ų | 26.7 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 175.2 | -58.6 | -154.6 | 1.6 | 0 | 0 | 111.9 | L31 L88 V89 I95 V96 | L31-Q92 PolarHBondContact O-OE1 3.27Å; L88-Q92 WeakPolarHBondContact O-CG 3.4Å; L88-Q92 PolarHBondContact O-N 3.23Å; V89-Q92 PolarHBondContact O-N 2.84Å; Q92-I95 PolarHBondContact O-N 2.5Å; Q92-V96 VanDerWaalsContact O-CG2 3.31Å; Q92-V96 WeakPolarHBondContact O-CG2 3.22Å; Q92-V96 PolarHBondContact O-N 3.34Å |
| 93 | L | 80 | Confident | 74.6 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.6 | -42 | 180 | -173.9 | 72.7 | 0 | 0 | 0 | 111.1 | F24 L27 L31 I71 L75 I85 V89 A90 I95 V96 C97 | F24-L93 HydrophobicContact CE1-CD1 4.29Å; F24-L93 HydrophobicContact CE1-CD2 4.47Å; L27-L93 HydrophobicContact CD2-CD1 4.13Å; L31-L93 HydrophobicContact CD1-CB 3.99Å; L31-L93 HydrophobicContact CD1-CD1 3.5Å; L31-L93 VanDerWaalsContact CD1-CD1 3.5Å; L31-L93 HydrophobicContact CD1-CG 4.35Å; I71-L93 HydrophobicContact CD1-CB 4.21Å; I71-L93 HydrophobicContact CD1-CD2 3.72Å; I71-L93 HydrophobicContact CD1-CG 3.81Å; I71-L93 HydrophobicContact CG1-CD2 4.29Å; L75-L93 HydrophobicContact CD1-CD2 4.48Å; I85-L93 HydrophobicContact CD1-CD2 3.49Å; I85-L93 VanDerWaalsContact CD1-CD2 3.49Å; V89-L93 WeakPolarHBondContact O-CB 3.45Å; V89-L93 PolarHBondContact O-N 2.85Å; A90-L93 PolarHBondContact O-N 2.68Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 3.5Å; L93-V96 PolarHBondContact O-N 2.98Å; L93-C97 WeakPolarHBondContact O-CB 3.31Å; L93-C97 PolarHBondContact O-N 2.98Å; L93-C97 PolarHBondContact O-SG 3.08Å; L93-C97 VanDerWaalsContact O-SG 3.4Å |
| 94 | Q | 83.9 | Confident | 75.8 | Confident | 18 Ų | 18 | 25.7 Ų | 25.7 | 8% | 0.084 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55 | -48.7 | 172.1 | -77.3 | -178.9 | -34.8 | 0 | 0 | 110.5 | I67 L68 I71 A90 V96 C97 L98 F124 | I67-Q94 WeakPolarHBondContact O-CG 3.48Å; I67-Q94 PolarHBondContact O-NE2 3.37Å; L68-Q94 PolarHBondContact O-NE2 2.95Å; I71-Q94 HydrophobicContact CB-CG 4.34Å; I71-Q94 HydrophobicContact CD1-CB 4.37Å; I71-Q94 HydrophobicContact CD1-CG 3.63Å; A90-Q94 WeakPolarHBondContact O-CB 3.4Å; A90-Q94 VanDerWaalsContact O-CG 3.25Å; A90-Q94 WeakPolarHBondContact O-CG 3.41Å; A90-Q94 PolarHBondContact O-N 2.78Å; Q94-V96 PolarHBondContact O-N 3.25Å; Q94-C97 PolarHBondContact O-N 3.12Å; Q94-L98 VanDerWaalsContact O-CB 3.29Å; Q94-L98 WeakPolarHBondContact O-CB 3.45Å; Q94-L98 WeakPolarHBondContact O-CG 2.79Å; Q94-L98 PolarHBondContact O-N 2.97Å; Q94-F124 HydrophobicContact CB-CE2 4.32Å; Q94-F124 HydrophobicContact CB-CZ 3.92Å |
| 95 | I | 78.9 | Confident | 76.6 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 178.8 | -67.6 | 169.5 | 0 | 0 | 0 | 111.2 | L41 E91 Q92 L93 F99 F124 Q139 L143 | L41-I95 HydrophobicContact CD2-CG2 3.7Å; E91-I95 WeakPolarHBondContact O-CG1 3.29Å; E91-I95 PolarHBondContact O-N 3.4Å; Q92-I95 PolarHBondContact O-N 2.5Å; L93-I95 VanDerWaalsContact C-N 3.31Å; L93-I95 PolarHBondContact O-N 3.5Å; I95-F99 WeakPolarHBondContact O-CB 3.29Å; I95-F99 PolarHBondContact O-N 2.63Å; I95-F124 HydrophobicContact CG1-CE1 3.95Å; I95-F124 HydrophobicContact CG1-CZ 4.26Å; I95-Q139 HydrophobicContact CD1-CB 3.84Å; I95-Q139 HydrophobicContact CG2-CB 4.29Å; I95-L143 HydrophobicContact CB-CD2 4.25Å; I95-L143 HydrophobicContact CG1-CD2 4.23Å; I95-L143 HydrophobicContact CG2-CB 3.79Å; I95-L143 HydrophobicContact CG2-CD2 3.9Å; I95-L143 HydrophobicContact CG2-CG 4.33Å |
| 96 | V | 80.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | L31 L41 L43 G44 I47 Q92 L93 Q94 F99 G100 | L31-V96 HydrophobicContact CD2-CG2 4.05Å; L41-V96 HydrophobicContact CD2-CG2 3.99Å; L43-V96 HydrophobicContact CB-CG1 4.41Å; G44-V96 WeakPolarHBondContact CA-O 3.32Å; I47-V96 HydrophobicContact CD1-CG1 3.95Å; Q92-V96 VanDerWaalsContact O-CG2 3.31Å; Q92-V96 WeakPolarHBondContact O-CG2 3.22Å; Q92-V96 PolarHBondContact O-N 3.34Å; L93-V96 PolarHBondContact O-N 2.98Å; Q94-V96 PolarHBondContact O-N 3.25Å; V96-F99 WeakPolarHBondContact O-CB 3.28Å; V96-F99 PolarHBondContact O-N 2.83Å; V96-G100 PolarHBondContact O-N 3.42Å |
| 97 | C | 85.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.6 | -74.3 | 0 | 0 | 0 | 0 | 111.7 | I48 I67 L93 Q94 F99 G100 V101 | I48-C97 HydrophobicContact CD1-CB 4.4Å; I67-C97 HydrophobicContact CD1-CB 3.97Å; I67-C97 HydrophobicContact CG1-CB 4.12Å; I67-C97 HydrophobicContact CG2-CB 3.81Å; L93-C97 WeakPolarHBondContact O-CB 3.31Å; L93-C97 PolarHBondContact O-N 2.98Å; L93-C97 PolarHBondContact O-SG 3.08Å; L93-C97 VanDerWaalsContact O-SG 3.4Å; Q94-C97 PolarHBondContact O-N 3.12Å; C97-F99 VanDerWaalsContact C-N 3.34Å; C97-F99 PolarHBondContact O-N 3.08Å; C97-G100 CarbonylContact O-C 3.57Å; C97-G100 VanDerWaalsContact O-CA 3.32Å; C97-G100 WeakPolarHBondContact O-CA 3.28Å; C97-G100 PolarHBondContact O-N 2.99Å; C97-V101 WeakPolarHBondContact O-CG2 3.24Å; C97-V101 PolarHBondContact O-N 2.96Å |
| 98 | L | 84.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.2 | -71.5 | 179 | 0 | 0 | 0 | 112 | T64 I67 L68 Q94 G100 V101 I102 I121 F124 L143 | T64-L98 HydrophobicContact CG2-CD2 4.32Å; I67-L98 HydrophobicContact CB-CD2 4.36Å; I67-L98 HydrophobicContact CG2-CD2 3.71Å; I67-L98 HydrophobicContact CG2-CG 3.82Å; L68-L98 HydrophobicContact CD2-CD1 3.72Å; L68-L98 HydrophobicContact CD2-CD2 4.02Å; L68-L98 HydrophobicContact CD2-CG 4.42Å; L68-L98 HydrophobicContact CG-CD2 4.18Å; Q94-L98 VanDerWaalsContact O-CB 3.29Å; Q94-L98 WeakPolarHBondContact O-CB 3.45Å; Q94-L98 WeakPolarHBondContact O-CG 2.79Å; Q94-L98 PolarHBondContact O-N 2.97Å; L98-G100 VanDerWaalsContact C-N 3.27Å; L98-G100 PolarHBondContact O-N 3.25Å; L98-V101 PolarHBondContact O-N 3.02Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.3Å; L98-I102 PolarHBondContact O-N 3.21Å; L98-I121 HydrophobicContact CD2-CD1 4.1Å; L98-I121 HydrophobicContact CD2-CG1 3.77Å; L98-F124 HydrophobicContact CD1-CD1 3.52Å; L98-F124 HydrophobicContact CD1-CE1 3.72Å; L98-F124 HydrophobicContact CD1-CG 4.03Å; L98-F124 HydrophobicContact CD1-CZ 4.38Å; L98-L143 HydrophobicContact CB-CD1 4.28Å; L98-L143 HydrophobicContact CB-CD2 4.05Å; L98-L143 HydrophobicContact CD1-CD2 4.21Å |
| 99 | F | 82.4 | Confident | 77.5 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 169.5 | 179.9 | -79.2 | 0 | 0 | 0 | 110.6 | L41 I95 V96 C97 V101 I102 E103 L143 V146 | L41-F99 HydrophobicContact CB-CB 4.29Å; L41-F99 HydrophobicContact CB-CD1 4.14Å; L41-F99 HydrophobicContact CB-CD2 3.6Å; L41-F99 HydrophobicContact CB-CE1 4.4Å; L41-F99 HydrophobicContact CB-CE2 3.82Å; L41-F99 HydrophobicContact CB-CG 3.76Å; L41-F99 HydrophobicContact CB-CZ 4.26Å; L41-F99 HydrophobicContact CD1-CD2 3.89Å; L41-F99 HydrophobicContact CD1-CE2 4.27Å; L41-F99 HydrophobicContact CD2-CB 4.46Å; L41-F99 HydrophobicContact CG-CD2 4.27Å; L41-F99 WeakPolarHBondContact O-CD1 3.34Å; L41-F99 WeakPolarHBondContact O-CE1 3.38Å; I95-F99 WeakPolarHBondContact O-CB 3.29Å; I95-F99 PolarHBondContact O-N 2.63Å; V96-F99 WeakPolarHBondContact O-CB 3.28Å; V96-F99 PolarHBondContact O-N 2.83Å; C97-F99 VanDerWaalsContact C-N 3.34Å; C97-F99 PolarHBondContact O-N 3.08Å; F99-V101 VanDerWaalsContact C-N 3.35Å; F99-V101 PolarHBondContact O-N 2.82Å; F99-I102 PolarHBondContact O-N 3.2Å; F99-E103 HydrophobicContact CD1-CG 4.34Å; F99-E103 HydrophobicContact CE1-CG 3.76Å; F99-E103 HydrophobicContact CZ-CG 4.3Å; F99-E103 PolarHBondContact O-N 2.98Å; F99-L143 HydrophobicContact CB-CD1 3.85Å; F99-V146 HydrophobicContact CD2-CB 3.97Å; F99-V146 HydrophobicContact CD2-CG1 3.74Å; F99-V146 HydrophobicContact CD2-CG2 3.69Å; F99-V146 HydrophobicContact CE2-CB 3.96Å; F99-V146 HydrophobicContact CE2-CG1 3.66Å; F99-V146 HydrophobicContact CE2-CG2 3.31Å; F99-V146 HydrophobicContact CZ-CG1 4.38Å; F99-V146 HydrophobicContact CZ-CG2 4.42Å |
| 100 | G | 82.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | G44 V96 C97 L98 I102 E103 Y104 | G44-G100 WeakPolarHBondContact O-CA 3.44Å; V96-G100 PolarHBondContact O-N 3.42Å; C97-G100 CarbonylContact O-C 3.57Å; C97-G100 VanDerWaalsContact O-CA 3.32Å; C97-G100 WeakPolarHBondContact O-CA 3.28Å; C97-G100 PolarHBondContact O-N 2.99Å; L98-G100 VanDerWaalsContact C-N 3.27Å; L98-G100 PolarHBondContact O-N 3.25Å; G100-I102 VanDerWaalsContact C-N 3.34Å; G100-E103 PolarHBondContact O-N 2.67Å; G100-Y104 VanDerWaalsContact O-CB 3.28Å; G100-Y104 WeakPolarHBondContact O-CB 3.33Å; G100-Y104 PolarHBondContact O-N 2.84Å |
| 101 | V | 84.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | I48 I67 C97 L98 F99 E103 Y104 I105 I117 I121 | I48-V101 HydrophobicContact CD1-CG2 3.64Å; I48-V101 HydrophobicContact CG1-CG2 4.05Å; I67-V101 HydrophobicContact CD1-CG2 3.55Å; C97-V101 WeakPolarHBondContact O-CG2 3.24Å; C97-V101 PolarHBondContact O-N 2.96Å; L98-V101 PolarHBondContact O-N 3.02Å; F99-V101 VanDerWaalsContact C-N 3.35Å; F99-V101 PolarHBondContact O-N 2.82Å; V101-E103 PolarHBondContact O-N 3.14Å; V101-Y104 PolarHBondContact O-N 2.98Å; V101-I105 HydrophobicContact CG1-CD1 3.78Å; V101-I105 HydrophobicContact CG1-CG1 4.44Å; V101-I105 VanDerWaalsContact O-CG1 3.24Å; V101-I105 WeakPolarHBondContact O-CG1 3.01Å; V101-I105 PolarHBondContact O-N 3Å; V101-I117 HydrophobicContact CG1-CG2 3.84Å; V101-I121 HydrophobicContact CG1-CD1 4.44Å |
| 102 | I | 80.6 | Confident | 74.9 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.4 | -64.4 | 160.4 | 0 | 0 | 0 | 110.6 | L98 F99 G100 Y104 I105 S106 I121 L143 V146 W147 F150 | L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.3Å; L98-I102 PolarHBondContact O-N 3.21Å; F99-I102 PolarHBondContact O-N 3.2Å; G100-I102 VanDerWaalsContact C-N 3.34Å; I102-Y104 PolarHBondContact O-N 3.25Å; I102-I105 PolarHBondContact O-N 3.32Å; I102-S106 WeakPolarHBondContact O-CB 3.38Å; I102-S106 PolarHBondContact O-N 3.46Å; I102-I121 HydrophobicContact CD1-CD1 4.46Å; I102-I121 HydrophobicContact CG1-CD1 4.05Å; I102-L143 HydrophobicContact CD1-CD1 3.91Å; I102-V146 HydrophobicContact CG2-CG1 4.07Å; I102-W147 HydrophobicContact CD1-CB 3.73Å; I102-W147 HydrophobicContact CD1-CG 4.21Å; I102-F150 HydrophobicContact CG2-CB 3.48Å; I102-F150 VanDerWaalsContact CG2-CB 3.48Å; I102-F150 HydrophobicContact CG2-CD1 4.1Å; I102-F150 HydrophobicContact CG2-CD2 3.97Å; I102-F150 HydrophobicContact CG2-CG 3.58Å |
| 103 | E | 79.1 | Confident | 74.2 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 23% | 0.229 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.5 | -89.9 | -138.9 | -171 | 0 | 0 | 112.4 | R45 F99 G100 V101 I105 S106 S107 | R45-E103 HydrophobicContact CB-CB 4.14Å; R45-E103 WeakPolarHBondContact CD-OE2 3.25Å; R45-E103 HydrophobicContact CG-CB 4.12Å; R45-E103 WeakPolarHBondContact CG-OE2 3.49Å; R45-E103 IonicContact CZ-OE2 3.2Å; R45-E103 IonicContact NE-OE2 2.83Å; R45-E103 IonicContact NH1-OE2 3.67Å; R45-E103 PolarHBondContact NH1-OE2 3.43Å; F99-E103 HydrophobicContact CD1-CG 4.34Å; F99-E103 HydrophobicContact CE1-CG 3.76Å; F99-E103 HydrophobicContact CZ-CG 4.3Å; F99-E103 PolarHBondContact O-N 2.98Å; G100-E103 PolarHBondContact O-N 2.67Å; V101-E103 PolarHBondContact O-N 3.14Å; E103-I105 PolarHBondContact O-N 3.25Å; E103-S106 WeakPolarHBondContact CA-OG 3.27Å; E103-S106 CarbonylContact O-C 2.77Å; E103-S106 WeakPolarHBondContact O-CA 3.23Å; E103-S106 WeakPolarHBondContact O-CB 2.9Å; E103-S106 PolarHBondContact O-N 3.15Å; E103-S106 VanDerWaalsContact O-N 3.1Å; E103-S106 PolarHBondContact O-OG 3.21Å; E103-S107 PolarHBondContact O-N 3.3Å; E103-S107 PolarHBondContact O-OG 3.43Å |
| 104 | Y | 78.9 | Confident | 73.6 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.5 | -173.2 | -93.4 | 0 | 0 | 0 | 111.9 | I48 N49 V52 L60 G100 V101 I102 S106 S107 N108 | I48-Y104 HydrophobicContact CG2-CD1 4.48Å; I48-Y104 HydrophobicContact CG2-CD2 4.03Å; I48-Y104 HydrophobicContact CG2-CG 3.81Å; N49-Y104 WeakPolarHBondContact OD1-CD2 3.35Å; N49-Y104 WeakPolarHBondContact OD1-CE2 3.29Å; V52-Y104 HydrophobicContact CB-CE2 4.28Å; V52-Y104 HydrophobicContact CG1-CE2 4.42Å; V52-Y104 VanDerWaalsContact CG1-OH 3.31Å; V52-Y104 WeakPolarHBondContact CG1-OH 3.26Å; V52-Y104 HydrophobicContact CG2-CE1 4.15Å; V52-Y104 HydrophobicContact CG2-CE2 4.13Å; L60-Y104 HydrophobicContact CD1-CD1 3.75Å; L60-Y104 HydrophobicContact CD1-CE1 4.09Å; L60-Y104 HydrophobicContact CD2-CD1 4.07Å; L60-Y104 HydrophobicContact CD2-CE1 4.49Å; G100-Y104 VanDerWaalsContact O-CB 3.28Å; G100-Y104 WeakPolarHBondContact O-CB 3.33Å; G100-Y104 PolarHBondContact O-N 2.84Å; V101-Y104 PolarHBondContact O-N 2.98Å; I102-Y104 PolarHBondContact O-N 3.25Å; Y104-S106 VanDerWaalsContact C-N 3.29Å; Y104-S106 PolarHBondContact O-N 3.4Å; Y104-S107 PolarHBondContact O-N 3.37Å; Y104-S107 PolarHBondContact O-OG 3.34Å; Y104-N108 WeakPolarHBondContact CE1-ND2 3.23Å; Y104-N108 VanDerWaalsContact CZ-ND2 3.27Å; Y104-N108 PolarHBondContact O-N 3.11Å; Y104-N108 PolarHBondContact O-ND2 3.08Å |
| 105 | I | 76.2 | Confident | 72.8 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | 173.6 | -58.2 | 164.7 | 0 | 0 | 0 | 110.1 | L60 V101 I102 E103 S107 N108 L110 I117 F150 K154 | L60-I105 HydrophobicContact CD2-CD1 3.91Å; L60-I105 HydrophobicContact CD2-CG1 3.39Å; V101-I105 HydrophobicContact CG1-CD1 3.78Å; V101-I105 HydrophobicContact CG1-CG1 4.44Å; V101-I105 VanDerWaalsContact O-CG1 3.24Å; V101-I105 WeakPolarHBondContact O-CG1 3.01Å; V101-I105 PolarHBondContact O-N 3Å; I102-I105 PolarHBondContact O-N 3.32Å; E103-I105 PolarHBondContact O-N 3.25Å; I105-S107 VanDerWaalsContact C-N 3.25Å; I105-S107 PolarHBondContact O-N 3.13Å; I105-N108 PolarHBondContact O-N 3.44Å; I105-L110 HydrophobicContact CG2-CD2 3.77Å; I105-I117 HydrophobicContact CD1-CB 4.44Å; I105-I117 HydrophobicContact CD1-CD1 4.26Å; I105-I117 HydrophobicContact CD1-CG2 3.72Å; I105-F150 HydrophobicContact CB-CE2 4.2Å; I105-F150 HydrophobicContact CB-CZ 3.94Å; I105-F150 HydrophobicContact CG2-CE1 4.42Å; I105-F150 HydrophobicContact CG2-CE2 3.99Å; I105-F150 HydrophobicContact CG2-CZ 3.45Å; I105-F150 VanDerWaalsContact CG2-CZ 3.45Å; I105-K154 PolarHBondContact O-NZ 3.24Å |
| 106 | S | 71.6 | Confident | 72.4 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.9 | -28.5 | 177 | 86.8 | 0 | 0 | 0 | 0 | 113.3 | I102 E103 Y104 K154 | I102-S106 WeakPolarHBondContact O-CB 3.38Å; I102-S106 PolarHBondContact O-N 3.46Å; E103-S106 WeakPolarHBondContact CA-OG 3.27Å; E103-S106 CarbonylContact O-C 2.77Å; E103-S106 WeakPolarHBondContact O-CA 3.23Å; E103-S106 WeakPolarHBondContact O-CB 2.9Å; E103-S106 PolarHBondContact O-N 3.15Å; E103-S106 VanDerWaalsContact O-N 3.1Å; E103-S106 PolarHBondContact O-OG 3.21Å; Y104-S106 VanDerWaalsContact C-N 3.29Å; Y104-S106 PolarHBondContact O-N 3.4Å; S106-K154 VanDerWaalsContact C-NZ 3.3Å; S106-K154 WeakPolarHBondContact O-CE 3.41Å; S106-K154 PolarHBondContact O-NZ 2.73Å |
| 107 | S | 72.1 | Confident | 72.3 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -85.5 | -13.8 | 175.4 | 44.6 | 0 | 0 | 0 | 0 | 114.8 | E103 Y104 I105 | E103-S107 PolarHBondContact O-N 3.3Å; E103-S107 PolarHBondContact O-OG 3.43Å; Y104-S107 PolarHBondContact O-N 3.37Å; Y104-S107 PolarHBondContact O-OG 3.34Å; I105-S107 VanDerWaalsContact C-N 3.25Å; I105-S107 PolarHBondContact O-N 3.13Å |
| 108 | N | 68.9 | Low | 72 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -113.1 | 168.2 | -175.1 | -70.7 | -49.6 | 0 | 0 | 0 | 112.5 | Y104 I105 K154 | Y104-N108 WeakPolarHBondContact CE1-ND2 3.23Å; Y104-N108 VanDerWaalsContact CZ-ND2 3.27Å; Y104-N108 PolarHBondContact O-N 3.11Å; Y104-N108 PolarHBondContact O-ND2 3.08Å; I105-N108 PolarHBondContact O-N 3.44Å; N108-K154 PolarHBondContact O-NZ 3.35Å |
| 109 | K | 61.6 | Low | 71.6 | Confident | 202 Ų | 202 | 52.3 Ų | 52.3 | 88% | 0.878 | 26% | 0.26 | S | S | * | . | trans | -69.4 | 133.5 | 172.3 | -79.9 | -174 | 176.6 | -178.2 | 0 | 110.1 | ||||
| 110 | L | 54 | Low | 71.6 | Confident | 27 Ų | 27 | 53 Ų | 53 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | trans | -66.2 | 136.5 | 176.6 | -77.6 | 155.6 | 0 | 0 | 0 | 110.3 | I105 S114 F150 K154 E158 | I105-L110 HydrophobicContact CG2-CD2 3.77Å; L110-S114 WeakPolarHBondContact CD2-OG 3.47Å; L110-F150 HydrophobicContact CD2-CZ 4.09Å; L110-K154 HydrophobicContact CD1-CB 4.14Å; L110-E158 VanDerWaalsContact CB-OE2 3.29Å; L110-E158 WeakPolarHBondContact CB-OE2 3.5Å; L110-E158 VanDerWaalsContact CD1-CD 3.42Å; L110-E158 HydrophobicContact CD1-CG 4.34Å; L110-E158 VanDerWaalsContact CD1-OE2 3.23Å; L110-E158 WeakPolarHBondContact CD1-OE2 3.29Å | ||
| 111 | T | 59.3 | Low | 71.7 | Confident | 90 Ų | 90 | 53 Ų | 53 | 55% | 0.552 | 27% | 0.267 | S | S | * | . | trans | -122.2 | 165.1 | 172.7 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | N113 S114 | T111-N113 PolarHBondContact O-N 3.4Å; T111-S114 VanDerWaalsContact O-CB 3.26Å; T111-S114 WeakPolarHBondContact O-CB 3.4Å; T111-S114 PolarHBondContact O-N 3.39Å; T111-S114 PolarHBondContact O-OG 2.84Å | ||
| 112 | Y | 52.6 | Low | 71.6 | Confident | 208 Ų | 208 | 53 Ų | 53 | 82% | 0.816 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.2 | 178.8 | -120.2 | -87.3 | 0 | 0 | 0 | 113.5 | S114 S115 | Y112-S114 PolarHBondContact O-N 3.42Å; Y112-S115 PolarHBondContact O-N 3.16Å; Y112-S115 PolarHBondContact O-OG 2.81Å |
| 113 | N | 62.4 | Low | 71.7 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -18 | 176.4 | -75.9 | -11.7 | 0 | 0 | 0 | 114.1 | T61 T111 S115 I117 | T61-N113 HydrophobicContact CG2-CB 4.37Å; T61-N113 PolarHBondContact OG1-ND2 3.35Å; T111-N113 PolarHBondContact O-N 3.4Å; N113-S115 VanDerWaalsContact C-N 3.34Å; N113-S115 PolarHBondContact O-N 3.14Å; N113-I117 WeakPolarHBondContact O-CG1 3.49Å; N113-I117 PolarHBondContact O-N 3.01Å |
| 114 | S | 65.9 | Low | 71.9 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.028 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -31.2 | 179.8 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | L110 T111 Y112 I117 C118 | L110-S114 WeakPolarHBondContact CD2-OG 3.47Å; T111-S114 VanDerWaalsContact O-CB 3.26Å; T111-S114 WeakPolarHBondContact O-CB 3.4Å; T111-S114 PolarHBondContact O-N 3.39Å; T111-S114 PolarHBondContact O-OG 2.84Å; Y112-S114 PolarHBondContact O-N 3.42Å; S114-I117 PolarHBondContact O-N 2.95Å; S114-C118 PolarHBondContact O-N 3.25Å; S114-C118 PolarHBondContact O-SG 2.99Å |
| 115 | S | 66.6 | Low | 72.1 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 13% | 0.126 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 179.4 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | Y112 N113 C118 S119 | Y112-S115 PolarHBondContact O-N 3.16Å; Y112-S115 PolarHBondContact O-OG 2.81Å; N113-S115 VanDerWaalsContact C-N 3.34Å; N113-S115 PolarHBondContact O-N 3.14Å; S115-C118 WeakPolarHBondContact O-CB 3.49Å; S115-C118 PolarHBondContact O-N 3.48Å; S115-S119 PolarHBondContact O-N 3.46Å |
| 116 | F | 72.3 | Confident | 72.2 | Confident | 125 Ų | 125 | 55.2 Ų | 55.2 | 55% | 0.548 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.4 | -174.4 | -93.2 | 0 | 0 | 0 | 111.4 | T61 C118 S119 S120 | T61-F116 HydrophobicContact CG2-CD1 3.67Å; T61-F116 HydrophobicContact CG2-CE1 4.36Å; T61-F116 HydrophobicContact CG2-CG 4.45Å; F116-C118 VanDerWaalsContact C-N 3.34Å; F116-C118 PolarHBondContact O-N 3.44Å; F116-S119 PolarHBondContact O-N 3.36Å; F116-S120 PolarHBondContact O-N 2.83Å; F116-S120 PolarHBondContact O-OG 3.16Å |
| 117 | I | 76.9 | Confident | 72.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 174.1 | -68.6 | 167.9 | 0 | 0 | 0 | 110.3 | L60 T61 T64 V101 I105 N113 S114 S119 S120 I121 | L60-I117 HydrophobicContact CB-CD1 4.12Å; L60-I117 HydrophobicContact CD2-CD1 3.88Å; L60-I117 HydrophobicContact CG-CD1 3.87Å; T61-I117 HydrophobicContact CG2-CG1 4.12Å; T64-I117 HydrophobicContact CG2-CB 4.41Å; T64-I117 HydrophobicContact CG2-CG1 4.41Å; T64-I117 HydrophobicContact CG2-CG2 3.76Å; V101-I117 HydrophobicContact CG1-CG2 3.84Å; I105-I117 HydrophobicContact CD1-CB 4.44Å; I105-I117 HydrophobicContact CD1-CD1 4.26Å; I105-I117 HydrophobicContact CD1-CG2 3.72Å; N113-I117 WeakPolarHBondContact O-CG1 3.49Å; N113-I117 PolarHBondContact O-N 3.01Å; S114-I117 PolarHBondContact O-N 2.95Å; I117-S119 PolarHBondContact O-N 3.42Å; I117-S120 PolarHBondContact O-N 3.24Å; I117-I121 HydrophobicContact CG2-CD1 3.88Å; I117-I121 WeakPolarHBondContact O-CG1 3.37Å; I117-I121 PolarHBondContact O-N 3.39Å |
| 118 | C | 78.4 | Confident | 72.6 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 179 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | S114 S115 F116 S120 I121 S122 W147 I151 V164 | S114-C118 PolarHBondContact O-N 3.25Å; S114-C118 PolarHBondContact O-SG 2.99Å; S115-C118 WeakPolarHBondContact O-CB 3.49Å; S115-C118 PolarHBondContact O-N 3.48Å; F116-C118 VanDerWaalsContact C-N 3.34Å; F116-C118 PolarHBondContact O-N 3.44Å; C118-S120 VanDerWaalsContact C-N 3.31Å; C118-S120 PolarHBondContact O-N 2.95Å; C118-I121 PolarHBondContact O-N 3.41Å; C118-S122 PolarHBondContact O-N 3.33Å; C118-S122 PolarHBondContact O-OG 3.36Å; C118-W147 WeakPolarHBondContact O-CZ2 3.19Å; C118-W147 PolarHBondContact O-NE1 2.97Å; C118-I151 HydrophobicContact CB-CD1 3.8Å; C118-V164 HydrophobicContact CB-CG2 4.41Å |
| 119 | S | 77.6 | Confident | 72.9 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 16% | 0.161 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | S115 F116 I117 S122 H123 | S115-S119 PolarHBondContact O-N 3.46Å; F116-S119 PolarHBondContact O-N 3.36Å; I117-S119 PolarHBondContact O-N 3.42Å; S119-S122 VanDerWaalsContact CA-OG 3.26Å; S119-S122 WeakPolarHBondContact CA-OG 3.29Å; S119-S122 PolarHBondContact O-N 3.35Å; S119-S122 PolarHBondContact O-OG 2.92Å; S119-H123 PolarHBondContact O-N 2.88Å; S119-H123 PolarHBondContact O-ND1 2.96Å |
| 120 | S | 81.8 | Confident | 73.3 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 21% | 0.21 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69 | -42.5 | -179.9 | -52.1 | 0 | 0 | 0 | 0 | 111.4 | F116 I117 C118 S122 H123 F124 | F116-S120 PolarHBondContact O-N 2.83Å; F116-S120 PolarHBondContact O-OG 3.16Å; I117-S120 PolarHBondContact O-N 3.24Å; C118-S120 VanDerWaalsContact C-N 3.31Å; C118-S120 PolarHBondContact O-N 2.95Å; S120-S122 VanDerWaalsContact C-N 3.3Å; S120-S122 PolarHBondContact O-N 3.47Å; S120-H123 PolarHBondContact O-N 2.87Å; S120-F124 PolarHBondContact O-N 3.45Å |
| 121 | I | 84.1 | Confident | 73.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 174.4 | -64.1 | 173.6 | 0 | 0 | 0 | 111.3 | T64 L98 V101 I102 I117 C118 F124 L125 W147 | T64-I121 HydrophobicContact CG2-CG1 4.29Å; L98-I121 HydrophobicContact CD2-CD1 4.1Å; L98-I121 HydrophobicContact CD2-CG1 3.77Å; V101-I121 HydrophobicContact CG1-CD1 4.44Å; I102-I121 HydrophobicContact CD1-CD1 4.46Å; I102-I121 HydrophobicContact CG1-CD1 4.05Å; I117-I121 HydrophobicContact CG2-CD1 3.88Å; I117-I121 WeakPolarHBondContact O-CG1 3.37Å; I117-I121 PolarHBondContact O-N 3.39Å; C118-I121 PolarHBondContact O-N 3.41Å; I121-F124 WeakPolarHBondContact O-CB 3.41Å; I121-F124 PolarHBondContact O-N 3.06Å; I121-L125 HydrophobicContact CG2-CD1 4.25Å; I121-L125 PolarHBondContact O-N 3Å; I121-W147 HydrophobicContact CG2-CG 4.06Å |
| 122 | S | 82.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.7 | 38.4 | 0 | 0 | 0 | 0 | 114.1 | C118 S119 S120 F124 L125 L126 C167 | C118-S122 PolarHBondContact O-N 3.33Å; C118-S122 PolarHBondContact O-OG 3.36Å; S119-S122 VanDerWaalsContact CA-OG 3.26Å; S119-S122 WeakPolarHBondContact CA-OG 3.29Å; S119-S122 PolarHBondContact O-N 3.35Å; S119-S122 PolarHBondContact O-OG 2.92Å; S120-S122 VanDerWaalsContact C-N 3.3Å; S120-S122 PolarHBondContact O-N 3.47Å; S122-F124 VanDerWaalsContact C-N 3.27Å; S122-F124 PolarHBondContact O-N 3.35Å; S122-L125 PolarHBondContact O-N 3.18Å; S122-L126 WeakPolarHBondContact O-CG 3.28Å; S122-L126 PolarHBondContact O-N 3.35Å; S122-C167 VanDerWaalsContact CB-CB 3.46Å; S122-C167 WeakPolarHBondContact OG-CB 3.4Å; S122-C167 PolarHBondContact OG-SG 3.34Å; S122-C167 VanDerWaalsContact OG-SG 3.35Å |
| 123 | H | 82.3 | Confident | 74.6 | Confident | 113 Ų | 113 | 48.2 Ų | 48.2 | 52% | 0.523 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.4 | -78.7 | 80.9 | 0 | 0 | 0 | 111 | S119 S120 L126 D127 | S119-H123 PolarHBondContact O-N 2.88Å; S119-H123 PolarHBondContact O-ND1 2.96Å; S120-H123 PolarHBondContact O-N 2.87Å; H123-L126 PolarHBondContact O-N 3.43Å; H123-D127 PolarHBondContact O-N 3.2Å |
| 124 | F | 84.6 | Confident | 75 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 174.3 | 177.2 | -94 | 0 | 0 | 0 | 112.9 | L68 Q94 I95 L98 S120 I121 S122 L126 D127 R128 L143 | L68-F124 HydrophobicContact CD2-CB 3.54Å; L68-F124 HydrophobicContact CD2-CD2 3.89Å; L68-F124 HydrophobicContact CD2-CG 3.75Å; Q94-F124 HydrophobicContact CB-CE2 4.32Å; Q94-F124 HydrophobicContact CB-CZ 3.92Å; I95-F124 HydrophobicContact CG1-CE1 3.95Å; I95-F124 HydrophobicContact CG1-CZ 4.26Å; L98-F124 HydrophobicContact CD1-CD1 3.52Å; L98-F124 HydrophobicContact CD1-CE1 3.72Å; L98-F124 HydrophobicContact CD1-CG 4.03Å; L98-F124 HydrophobicContact CD1-CZ 4.38Å; S120-F124 PolarHBondContact O-N 3.45Å; I121-F124 WeakPolarHBondContact O-CB 3.41Å; I121-F124 PolarHBondContact O-N 3.06Å; S122-F124 VanDerWaalsContact C-N 3.27Å; S122-F124 PolarHBondContact O-N 3.35Å; F124-L126 VanDerWaalsContact C-N 3.28Å; F124-L126 PolarHBondContact O-N 3.18Å; F124-D127 PolarHBondContact O-N 3.01Å; F124-R128 HydrophobicContact CD1-CG 4.43Å; F124-R128 HydrophobicContact CE1-CG 4.04Å; F124-R128 HydrophobicContact CE2-CG 4.47Å; F124-R128 HydrophobicContact CZ-CG 4.06Å; F124-R128 WeakPolarHBondContact O-CG 3.33Å; F124-R128 PolarHBondContact O-N 3.14Å; F124-L143 HydrophobicContact CE1-CD2 4.46Å |
| 125 | L | 82 | Confident | 75.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 177.4 | -77.1 | 172 | 0 | 0 | 0 | 112.4 | I121 S122 D127 R128 L129 L143 A144 W147 I171 | I121-L125 HydrophobicContact CG2-CD1 4.25Å; I121-L125 PolarHBondContact O-N 3Å; S122-L125 PolarHBondContact O-N 3.18Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 3.06Å; L125-R128 PolarHBondContact O-N 3.28Å; L125-L129 WeakPolarHBondContact O-CD1 3.34Å; L125-L129 VanDerWaalsContact O-CG 3.3Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 3.34Å; L125-L143 HydrophobicContact CD2-CB 4.11Å; L125-L143 HydrophobicContact CD2-CD2 3.8Å; L125-L143 HydrophobicContact CD2-CG 3.92Å; L125-L143 HydrophobicContact CG-CD2 4.48Å; L125-A144 HydrophobicContact CD1-CB 4.15Å; L125-A144 HydrophobicContact CD2-CB 4.06Å; L125-W147 HydrophobicContact CD1-CB 3.96Å; L125-W147 HydrophobicContact CD1-CD2 4.13Å; L125-W147 HydrophobicContact CD1-CE3 4.27Å; L125-W147 HydrophobicContact CD1-CG 4Å; L125-I171 HydrophobicContact CB-CD1 3.89Å; L125-I171 HydrophobicContact CB-CG1 4.23Å; L125-I171 HydrophobicContact CD1-CD1 3.91Å |
| 126 | L | 79.7 | Confident | 75.5 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 179 | -75.5 | 174.6 | 0 | 0 | 0 | 113.2 | S122 H123 F124 K130 V170 I171 | S122-L126 WeakPolarHBondContact O-CG 3.28Å; S122-L126 PolarHBondContact O-N 3.35Å; H123-L126 PolarHBondContact O-N 3.43Å; F124-L126 VanDerWaalsContact C-N 3.28Å; F124-L126 PolarHBondContact O-N 3.18Å; L126-K130 WeakPolarHBondContact O-CG 3.22Å; L126-V170 HydrophobicContact CD1-CB 4.16Å; L126-V170 HydrophobicContact CD1-CG1 4.03Å; L126-V170 HydrophobicContact CD2-CB 3.72Å; L126-V170 HydrophobicContact CD2-CG1 3.31Å; L126-V170 HydrophobicContact CG-CG1 4.32Å; L126-I171 HydrophobicContact CD2-CB 4.34Å; L126-I171 HydrophobicContact CD2-CG1 3.62Å; L126-I171 HydrophobicContact CG-CG1 3.78Å |
| 127 | D | 78.6 | Confident | 75.8 | Confident | 91 Ų | 91 | 42.7 Ų | 42.7 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66 | -45 | 177.3 | -163.2 | 43.4 | 0 | 0 | 0 | 110.8 | H123 F124 L125 L129 K130 | H123-D127 PolarHBondContact O-N 3.2Å; F124-D127 PolarHBondContact O-N 3.01Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 3.06Å; D127-L129 VanDerWaalsContact C-N 3.32Å; D127-L129 PolarHBondContact O-N 3.31Å; D127-K130 PolarHBondContact O-N 3.49Å |
| 128 | R | 72.4 | Confident | 76 | Confident | 25 Ų | 25 | 44 Ų | 44 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -23.9 | -178.5 | -58.9 | -53.1 | 176.1 | 175.8 | 0.4 | 115 | E91 F124 L125 Y132 | E91-R128 IonicContact OE1-CZ 3.73Å; E91-R128 IonicContact OE1-NH1 2.69Å; E91-R128 PolarHBondContact OE1-NH1 3.21Å; E91-R128 IonicContact OE1-NH2 2.83Å; E91-R128 IonicContact OE2-NH1 3.72Å; F124-R128 HydrophobicContact CD1-CG 4.43Å; F124-R128 HydrophobicContact CE1-CG 4.04Å; F124-R128 HydrophobicContact CE2-CG 4.47Å; F124-R128 HydrophobicContact CZ-CG 4.06Å; F124-R128 WeakPolarHBondContact O-CG 3.33Å; F124-R128 PolarHBondContact O-N 3.14Å; L125-R128 PolarHBondContact O-N 3.28Å; R128-Y132 VanDerWaalsContact NH1-CE1 3.26Å; R128-Y132 PolarHBondContact NH1-OH 2.87Å; R128-Y132 WeakPolarHBondContact O-CD2 3.13Å |
| 129 | L | 76.6 | Confident | 75.9 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.4 | 178.9 | -70 | 166 | 0 | 0 | 0 | 113.6 | L125 D127 L137 I141 I171 I175 H178 | L125-L129 WeakPolarHBondContact O-CD1 3.34Å; L125-L129 VanDerWaalsContact O-CG 3.3Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 3.34Å; D127-L129 VanDerWaalsContact C-N 3.32Å; D127-L129 PolarHBondContact O-N 3.31Å; L129-L137 HydrophobicContact CD2-CD1 4.01Å; L129-I141 HydrophobicContact CD2-CG1 4.13Å; L129-I171 HydrophobicContact CD1-CG2 3.96Å; L129-I175 HydrophobicContact CD1-CD1 4.25Å; L129-I175 HydrophobicContact CD1-CG1 3.71Å; L129-I175 HydrophobicContact CD2-CG1 3.69Å; L129-I175 HydrophobicContact CG-CG1 4.36Å; L129-H178 PolarHBondContact O-NE2 2.77Å |
| 130 | K | 69.1 | Low | 76.1 | Confident | 144 Ų | 144 | 43.3 Ų | 43.3 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -84.9 | -24.7 | -170 | -84.5 | -179.7 | 180 | 178.5 | 0 | 116.2 | L126 D127 | L126-K130 WeakPolarHBondContact O-CG 3.22Å; D127-K130 PolarHBondContact O-N 3.49Å |
| 131 | N | 59.9 | Low | 76.2 | Confident | 154 Ų | 154 | 42.1 Ų | 42.1 | 82% | 0.824 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -178.1 | 83.3 | 174.5 | -92 | -28.6 | 0 | 0 | 0 | 112.6 | ||
| 132 | Y | 62 | Low | 76 | Confident | 90 Ų | 90 | 43 Ų | 43 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | trans | -136.2 | 164.7 | 179.9 | -80.5 | -91 | 0 | 0 | 0 | 113.7 | R128 V136 | R128-Y132 VanDerWaalsContact NH1-CE1 3.26Å; R128-Y132 PolarHBondContact NH1-OH 2.87Å; R128-Y132 WeakPolarHBondContact O-CD2 3.13Å; Y132-V136 HydrophobicContact CD1-CB 4.44Å; Y132-V136 HydrophobicContact CD1-CG1 4.01Å; Y132-V136 HydrophobicContact CG-CG1 4.09Å | ||
| 133 | S | 71.5 | Confident | 76.1 | Confident | 56 Ų | 56 | 43 Ų | 43 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | trans | -56.8 | 151.5 | 173.4 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | S135 V136 L137 | S133-S135 PolarHBondContact O-N 3.01Å; S133-S135 PolarHBondContact OG-OG 3.04Å; S133-V136 PolarHBondContact O-N 3.43Å; S133-V136 VanDerWaalsContact O-N 3.12Å; S133-L137 PolarHBondContact O-N 3.04Å | ||
| 134 | T | 70.9 | Confident | 76.3 | Confident | 67 Ų | 67 | 37.6 Ų | 37.6 | 41% | 0.411 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -52.3 | -34.4 | -176.1 | -39.4 | 0 | 0 | 0 | 0 | 113.1 | L138 N183 V186 | T134-L138 HydrophobicContact CG2-CD1 4.32Å; T134-L138 WeakPolarHBondContact O-CD1 3.38Å; T134-L138 WeakPolarHBondContact O-CG 3.48Å; T134-L138 PolarHBondContact O-N 3.3Å; T134-L138 VanDerWaalsContact O-N 3.11Å; T134-N183 WeakPolarHBondContact CG2-ND2 3.32Å; T134-V186 HydrophobicContact CG2-CG2 3.61Å |
| 135 | S | 69.6 | Low | 76.4 | Confident | 39 Ų | 39 | 39.1 Ų | 39.1 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.1 | -44.5 | -179.7 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | S133 Q139 | S133-S135 PolarHBondContact O-N 3.01Å; S133-S135 PolarHBondContact OG-OG 3.04Å; S135-Q139 PolarHBondContact O-N 3.32Å |
| 136 | V | 73.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70 | -38.7 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | L88 Y132 S133 L138 Q139 G140 | L88-V136 HydrophobicContact CD1-CG2 3.6Å; L88-V136 HydrophobicContact CG-CG2 3.92Å; Y132-V136 HydrophobicContact CD1-CB 4.44Å; Y132-V136 HydrophobicContact CD1-CG1 4.01Å; Y132-V136 HydrophobicContact CG-CG1 4.09Å; S133-V136 PolarHBondContact O-N 3.43Å; S133-V136 VanDerWaalsContact O-N 3.12Å; V136-L138 PolarHBondContact O-N 3.15Å; V136-Q139 PolarHBondContact O-N 3.39Å; V136-G140 PolarHBondContact O-N 2.74Å |
| 137 | L | 78.5 | Confident | 76.7 | Confident | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.7 | -176.2 | 65.8 | 0 | 0 | 0 | 111.8 | L129 S133 Q139 G140 I141 V186 | L129-L137 HydrophobicContact CD2-CD1 4.01Å; S133-L137 PolarHBondContact O-N 3.04Å; L137-Q139 PolarHBondContact O-N 3.21Å; L137-G140 PolarHBondContact O-N 3.21Å; L137-I141 HydrophobicContact CD1-CD1 4.37Å; L137-I141 HydrophobicContact CG-CD1 4.05Å; L137-I141 VanDerWaalsContact O-CG1 3.25Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.42Å; L137-V186 HydrophobicContact CD2-CG1 3.78Å; L137-V186 HydrophobicContact CD2-CG2 4.29Å |
| 138 | L | 79.7 | Confident | 76.9 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 17% | 0.168 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -38.4 | 178.3 | -72 | 169.2 | 0 | 0 | 0 | 112.6 | T134 V136 S142 V185 V186 S189 | T134-L138 HydrophobicContact CG2-CD1 4.32Å; T134-L138 WeakPolarHBondContact O-CD1 3.38Å; T134-L138 WeakPolarHBondContact O-CG 3.48Å; T134-L138 PolarHBondContact O-N 3.3Å; T134-L138 VanDerWaalsContact O-N 3.11Å; V136-L138 PolarHBondContact O-N 3.15Å; L138-S142 PolarHBondContact O-N 3.26Å; L138-S142 VanDerWaalsContact O-N 3.13Å; L138-S142 PolarHBondContact O-OG 3.4Å; L138-S142 VanDerWaalsContact O-OG 3.06Å; L138-V185 HydrophobicContact CD1-CG1 3.99Å; L138-V185 HydrophobicContact CD2-CG1 4.13Å; L138-V186 HydrophobicContact CD2-CG2 4.33Å; L138-S189 WeakPolarHBondContact CD2-OG 3.31Å |
| 139 | Q | 76.4 | Confident | 77.4 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.5 | -40.4 | 174.6 | -72.1 | -176.2 | -18.5 | 0 | 0 | 112.1 | P36 I95 S135 V136 L137 I141 S142 L143 | P36-Q139 HydrophobicContact CB-CG 3.41Å; P36-Q139 VanDerWaalsContact CB-CG 3.41Å; I95-Q139 HydrophobicContact CD1-CB 3.84Å; I95-Q139 HydrophobicContact CG2-CB 4.29Å; S135-Q139 PolarHBondContact O-N 3.32Å; V136-Q139 PolarHBondContact O-N 3.39Å; L137-Q139 PolarHBondContact O-N 3.21Å; Q139-I141 VanDerWaalsContact C-N 3.34Å; Q139-I141 PolarHBondContact O-N 2.79Å; Q139-S142 WeakPolarHBondContact CA-OG 3.29Å; Q139-S142 PolarHBondContact O-N 3.36Å; Q139-S142 PolarHBondContact O-OG 3.38Å; Q139-L143 PolarHBondContact O-N 3.25Å |
| 140 | G | 82 | Confident | 77.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V136 L137 S142 L143 A144 | V136-G140 PolarHBondContact O-N 2.74Å; L137-G140 PolarHBondContact O-N 3.21Å; G140-S142 PolarHBondContact O-N 2.65Å; G140-L143 PolarHBondContact O-N 3.39Å; G140-A144 WeakPolarHBondContact O-CB 3.45Å; G140-A144 PolarHBondContact O-N 2.93Å |
| 141 | I | 83.8 | Confident | 78 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.2 | -68.5 | 165.7 | 0 | 0 | 0 | 111.2 | L129 L137 Q139 A144 K145 I175 V190 F193 | L129-I141 HydrophobicContact CD2-CG1 4.13Å; L137-I141 HydrophobicContact CD1-CD1 4.37Å; L137-I141 HydrophobicContact CG-CD1 4.05Å; L137-I141 VanDerWaalsContact O-CG1 3.25Å; L137-I141 WeakPolarHBondContact O-CG1 3.45Å; L137-I141 PolarHBondContact O-N 3.42Å; Q139-I141 VanDerWaalsContact C-N 3.34Å; Q139-I141 PolarHBondContact O-N 2.79Å; I141-A144 PolarHBondContact O-N 3.41Å; I141-K145 WeakPolarHBondContact O-CB 3.45Å; I141-K145 PolarHBondContact O-N 3.18Å; I141-I175 HydrophobicContact CG1-CG1 4.46Å; I141-V190 HydrophobicContact CD1-CG2 4.03Å; I141-F193 HydrophobicContact CG2-CB 4.04Å; I141-F193 HydrophobicContact CG2-CD2 4.43Å; I141-F193 HydrophobicContact CG2-CG 4.48Å |
| 142 | S | 80.9 | Confident | 78.7 | Confident | 19 Ų | 19 | 21 Ų | 21 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -73 | -35.7 | 179.6 | 51 | 0 | 0 | 0 | 0 | 113.5 | L138 Q139 G140 K145 V146 | L138-S142 PolarHBondContact O-N 3.26Å; L138-S142 VanDerWaalsContact O-N 3.13Å; L138-S142 PolarHBondContact O-OG 3.4Å; L138-S142 VanDerWaalsContact O-OG 3.06Å; Q139-S142 WeakPolarHBondContact CA-OG 3.29Å; Q139-S142 PolarHBondContact O-N 3.36Å; Q139-S142 PolarHBondContact O-OG 3.38Å; G140-S142 PolarHBondContact O-N 2.65Å; S142-K145 WeakPolarHBondContact O-CB 3.24Å; S142-K145 PolarHBondContact O-N 3.21Å; S142-V146 VanDerWaalsContact O-CG2 3.29Å; S142-V146 WeakPolarHBondContact O-CG2 3.37Å; S142-V146 PolarHBondContact O-N 3.11Å |
| 143 | L | 84.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 169.3 | 179.1 | 66.7 | 0 | 0 | 0 | 111.7 | I95 L98 F99 I102 F124 L125 Q139 G140 K145 V146 W147 | I95-L143 HydrophobicContact CB-CD2 4.25Å; I95-L143 HydrophobicContact CG1-CD2 4.23Å; I95-L143 HydrophobicContact CG2-CB 3.79Å; I95-L143 HydrophobicContact CG2-CD2 3.9Å; I95-L143 HydrophobicContact CG2-CG 4.33Å; L98-L143 HydrophobicContact CB-CD1 4.28Å; L98-L143 HydrophobicContact CB-CD2 4.05Å; L98-L143 HydrophobicContact CD1-CD2 4.21Å; F99-L143 HydrophobicContact CB-CD1 3.85Å; I102-L143 HydrophobicContact CD1-CD1 3.91Å; F124-L143 HydrophobicContact CE1-CD2 4.46Å; L125-L143 HydrophobicContact CD2-CB 4.11Å; L125-L143 HydrophobicContact CD2-CD2 3.8Å; L125-L143 HydrophobicContact CD2-CG 3.92Å; L125-L143 HydrophobicContact CG-CD2 4.48Å; Q139-L143 PolarHBondContact O-N 3.25Å; G140-L143 PolarHBondContact O-N 3.39Å; L143-K145 PolarHBondContact O-N 3.06Å; L143-V146 PolarHBondContact O-N 3.15Å; L143-V146 VanDerWaalsContact O-N 3.13Å; L143-W147 WeakPolarHBondContact O-CB 3.49Å; L143-W147 PolarHBondContact O-N 2.93Å |
| 144 | A | 86.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L125 G140 I141 V146 C148 I171 I175 F193 | L125-A144 HydrophobicContact CD1-CB 4.15Å; L125-A144 HydrophobicContact CD2-CB 4.06Å; G140-A144 WeakPolarHBondContact O-CB 3.45Å; G140-A144 PolarHBondContact O-N 2.93Å; I141-A144 PolarHBondContact O-N 3.41Å; A144-V146 PolarHBondContact O-N 2.94Å; A144-C148 VanDerWaalsContact O-CB 3.24Å; A144-C148 WeakPolarHBondContact O-CB 3.45Å; A144-C148 PolarHBondContact O-N 3.31Å; A144-C148 PolarHBondContact O-SG 3.45Å; A144-I171 HydrophobicContact CB-CG2 3.99Å; A144-I175 HydrophobicContact CB-CD1 3.79Å; A144-F193 HydrophobicContact CB-CE2 4.05Å |
| 145 | K | 85.4 | Confident | 78.8 | Confident | 52 Ų | 52 | 17.6 Ų | 17.6 | 23% | 0.226 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -55 | -52.2 | 173.9 | -173.1 | -178.3 | 177.6 | 176.4 | 0 | 110.3 | I141 S142 L143 S149 F193 H196 | I141-K145 WeakPolarHBondContact O-CB 3.45Å; I141-K145 PolarHBondContact O-N 3.18Å; S142-K145 WeakPolarHBondContact O-CB 3.24Å; S142-K145 PolarHBondContact O-N 3.21Å; L143-K145 PolarHBondContact O-N 3.06Å; K145-S149 WeakPolarHBondContact O-CB 3.18Å; K145-S149 PolarHBondContact O-N 3.33Å; K145-S149 PolarHBondContact O-OG 3.47Å; K145-F193 HydrophobicContact CB-CD2 3.84Å; K145-F193 HydrophobicContact CB-CE2 4.3Å; K145-F193 HydrophobicContact CG-CD2 4.4Å; K145-H196 HydrophobicContact CD-CB 4.43Å; K145-H196 VanDerWaalsContact CE-CB 3.47Å; K145-H196 WeakPolarHBondContact CE-CD2 3.45Å; K145-H196 HydrophobicContact CG-CB 4.38Å; K145-H196 WeakPolarHBondContact CG-CD2 3.47Å |
| 146 | V | 81.9 | Confident | 78.2 | Confident | 34 Ų | 34 | 16 Ų | 16 | 21% | 0.206 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -69.4 | -43.4 | -175.4 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | F99 I102 S142 L143 A144 S149 F150 | F99-V146 HydrophobicContact CD2-CB 3.97Å; F99-V146 HydrophobicContact CD2-CG1 3.74Å; F99-V146 HydrophobicContact CD2-CG2 3.69Å; F99-V146 HydrophobicContact CE2-CB 3.96Å; F99-V146 HydrophobicContact CE2-CG1 3.66Å; F99-V146 HydrophobicContact CE2-CG2 3.31Å; F99-V146 HydrophobicContact CZ-CG1 4.38Å; F99-V146 HydrophobicContact CZ-CG2 4.42Å; I102-V146 HydrophobicContact CG2-CG1 4.07Å; S142-V146 VanDerWaalsContact O-CG2 3.29Å; S142-V146 WeakPolarHBondContact O-CG2 3.37Å; S142-V146 PolarHBondContact O-N 3.11Å; L143-V146 PolarHBondContact O-N 3.15Å; L143-V146 VanDerWaalsContact O-N 3.13Å; A144-V146 PolarHBondContact O-N 2.94Å; V146-S149 PolarHBondContact O-N 3.42Å; V146-F150 WeakPolarHBondContact O-CB 3.43Å; V146-F150 PolarHBondContact O-N 3.17Å |
| 147 | W | 86.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 175.9 | -178.1 | 85.8 | 0 | 0 | 0 | 110.8 | I102 C118 I121 L125 L143 S149 F150 I151 V164 C167 V168 I171 | I102-W147 HydrophobicContact CD1-CB 3.73Å; I102-W147 HydrophobicContact CD1-CG 4.21Å; C118-W147 WeakPolarHBondContact O-CZ2 3.19Å; C118-W147 PolarHBondContact O-NE1 2.97Å; I121-W147 HydrophobicContact CG2-CG 4.06Å; L125-W147 HydrophobicContact CD1-CB 3.96Å; L125-W147 HydrophobicContact CD1-CD2 4.13Å; L125-W147 HydrophobicContact CD1-CE3 4.27Å; L125-W147 HydrophobicContact CD1-CG 4Å; L143-W147 WeakPolarHBondContact O-CB 3.49Å; L143-W147 PolarHBondContact O-N 2.93Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 3.06Å; W147-F150 WeakPolarHBondContact O-CB 3.33Å; W147-F150 PolarHBondContact O-N 2.83Å; W147-F150 VanDerWaalsContact O-N 3.16Å; W147-I151 HydrophobicContact CD2-CG1 3.87Å; W147-I151 HydrophobicContact CE3-CG1 4.04Å; W147-I151 HydrophobicContact CH2-CD1 4.48Å; W147-I151 HydrophobicContact CH2-CG1 3.83Å; W147-I151 HydrophobicContact CZ2-CD1 3.9Å; W147-I151 HydrophobicContact CZ2-CG1 3.65Å; W147-I151 HydrophobicContact CZ3-CG1 4.02Å; W147-I151 WeakPolarHBondContact O-CG1 3.29Å; W147-I151 PolarHBondContact O-N 2.98Å; W147-V164 HydrophobicContact CH2-CG1 4.33Å; W147-V164 HydrophobicContact CZ2-CG1 4.35Å; W147-C167 HydrophobicContact CH2-CB 4.2Å; W147-V168 HydrophobicContact CH2-CG2 3.68Å; W147-V168 HydrophobicContact CZ3-CB 4.4Å; W147-V168 HydrophobicContact CZ3-CG2 3.55Å; W147-I171 HydrophobicContact CE3-CD1 3.9Å; W147-I171 HydrophobicContact CH2-CD1 4.09Å; W147-I171 HydrophobicContact CZ3-CD1 3.57Å |
| 148 | C | 83.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 177.3 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | A144 F150 I151 F152 I197 | A144-C148 VanDerWaalsContact O-CB 3.24Å; A144-C148 WeakPolarHBondContact O-CB 3.45Å; A144-C148 PolarHBondContact O-N 3.31Å; A144-C148 PolarHBondContact O-SG 3.45Å; C148-F150 VanDerWaalsContact C-N 3.31Å; C148-F150 PolarHBondContact O-N 2.86Å; C148-I151 PolarHBondContact O-N 2.91Å; C148-F152 HydrophobicContact CB-CD2 4.32Å; C148-F152 HydrophobicContact CB-CE2 4.23Å; C148-F152 WeakPolarHBondContact O-CD2 3.34Å; C148-F152 PolarHBondContact O-N 3.39Å; C148-I197 HydrophobicContact CB-CD1 3.36Å; C148-I197 HydrophobicContact CB-CG1 4.15Å |
| 149 | S | 81.5 | Confident | 75.5 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58 | -43.2 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | K145 V146 W147 L153 H196 I200 | K145-S149 WeakPolarHBondContact O-CB 3.18Å; K145-S149 PolarHBondContact O-N 3.33Å; K145-S149 PolarHBondContact O-OG 3.47Å; V146-S149 PolarHBondContact O-N 3.42Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 3.06Å; S149-L153 VanDerWaalsContact O-CB 3.25Å; S149-L153 WeakPolarHBondContact O-CB 3.38Å; S149-L153 VanDerWaalsContact O-CG 3.25Å; S149-L153 WeakPolarHBondContact O-CG 3.35Å; S149-L153 PolarHBondContact O-N 3.27Å; S149-H196 PolarHBondContact OG-CD2 3.42Å; S149-H196 PolarHBondContact OG-NE2 3.41Å; S149-I200 VanDerWaalsContact CB-CD1 3.4Å; S149-I200 WeakPolarHBondContact OG-CD1 3.45Å |
| 150 | F | 81 | Confident | 74.4 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 6% | 0.057 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 175.8 | 172.3 | -97.2 | 0 | 0 | 0 | 112.3 | I102 I105 L110 V146 W147 C148 F152 L153 K154 V155 | I102-F150 HydrophobicContact CG2-CB 3.48Å; I102-F150 VanDerWaalsContact CG2-CB 3.48Å; I102-F150 HydrophobicContact CG2-CD1 4.1Å; I102-F150 HydrophobicContact CG2-CD2 3.97Å; I102-F150 HydrophobicContact CG2-CG 3.58Å; I105-F150 HydrophobicContact CB-CE2 4.2Å; I105-F150 HydrophobicContact CB-CZ 3.94Å; I105-F150 HydrophobicContact CG2-CE1 4.42Å; I105-F150 HydrophobicContact CG2-CE2 3.99Å; I105-F150 HydrophobicContact CG2-CZ 3.45Å; I105-F150 VanDerWaalsContact CG2-CZ 3.45Å; L110-F150 HydrophobicContact CD2-CZ 4.09Å; V146-F150 WeakPolarHBondContact O-CB 3.43Å; V146-F150 PolarHBondContact O-N 3.17Å; W147-F150 WeakPolarHBondContact O-CB 3.33Å; W147-F150 PolarHBondContact O-N 2.83Å; W147-F150 VanDerWaalsContact O-N 3.16Å; C148-F150 VanDerWaalsContact C-N 3.31Å; C148-F150 PolarHBondContact O-N 2.86Å; F150-F152 PolarHBondContact O-N 2.99Å; F150-L153 PolarHBondContact O-N 3.37Å; F150-K154 HydrophobicContact CD2-CB 4.3Å; F150-K154 HydrophobicContact CD2-CD 4.01Å; F150-K154 HydrophobicContact CE2-CB 4.09Å; F150-K154 HydrophobicContact CE2-CD 3.56Å; F150-K154 HydrophobicContact CE2-CG 4.45Å; F150-K154 HydrophobicContact CZ-CD 4.47Å; F150-K154 WeakPolarHBondContact O-CB 3.39Å; F150-K154 PolarHBondContact O-N 3.25Å; F150-V155 HydrophobicContact CD1-CG2 4.08Å; F150-V155 HydrophobicContact CE1-CG2 3.5Å; F150-V155 HydrophobicContact CZ-CG2 4.05Å |
| 151 | I | 78.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -59.3 | -48.2 | 176.3 | -65.5 | -51.4 | 0 | 0 | 0 | 110.8 | C118 W147 C148 V155 L156 V164 V168 | C118-I151 HydrophobicContact CB-CD1 3.8Å; W147-I151 HydrophobicContact CD2-CG1 3.87Å; W147-I151 HydrophobicContact CE3-CG1 4.04Å; W147-I151 HydrophobicContact CH2-CD1 4.48Å; W147-I151 HydrophobicContact CH2-CG1 3.83Å; W147-I151 HydrophobicContact CZ2-CD1 3.9Å; W147-I151 HydrophobicContact CZ2-CG1 3.65Å; W147-I151 HydrophobicContact CZ3-CG1 4.02Å; W147-I151 WeakPolarHBondContact O-CG1 3.29Å; W147-I151 PolarHBondContact O-N 2.98Å; C148-I151 PolarHBondContact O-N 2.91Å; I151-V155 HydrophobicContact CD1-CB 4.1Å; I151-V155 HydrophobicContact CD1-CG1 4.41Å; I151-V155 HydrophobicContact CD1-CG2 3.79Å; I151-V155 PolarHBondContact O-N 2.91Å; I151-L156 HydrophobicContact CG2-CD1 3.96Å; I151-L156 HydrophobicContact CG2-CG 4.08Å; I151-L156 PolarHBondContact O-N 3.33Å; I151-V164 HydrophobicContact CD1-CG1 3.76Å; I151-V164 HydrophobicContact CG1-CG1 4.1Å; I151-V164 HydrophobicContact CG2-CG1 3.71Å; I151-V168 HydrophobicContact CB-CG2 4.47Å; I151-V168 HydrophobicContact CG2-CG2 3.86Å |
| 152 | F | 74.6 | Confident | 72.5 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -68.7 | -43.8 | -179.8 | -72.5 | -58.7 | 0 | 0 | 0 | 112.6 | C148 F150 L156 V168 I197 I200 I201 L204 F211 V214 | C148-F152 HydrophobicContact CB-CD2 4.32Å; C148-F152 HydrophobicContact CB-CE2 4.23Å; C148-F152 WeakPolarHBondContact O-CD2 3.34Å; C148-F152 PolarHBondContact O-N 3.39Å; F150-F152 PolarHBondContact O-N 2.99Å; F152-L156 HydrophobicContact CD1-CD1 3.51Å; F152-L156 HydrophobicContact CE1-CD1 3.85Å; F152-L156 HydrophobicContact CG-CD1 4.47Å; F152-V168 HydrophobicContact CE1-CG1 4.48Å; F152-V168 HydrophobicContact CE2-CG1 4.04Å; F152-V168 HydrophobicContact CZ-CG1 3.63Å; F152-I197 HydrophobicContact CD2-CG2 4.03Å; F152-I197 HydrophobicContact CE2-CG2 3.44Å; F152-I197 VanDerWaalsContact CE2-CG2 3.44Å; F152-I197 HydrophobicContact CZ-CG2 4.22Å; F152-I200 HydrophobicContact CB-CG2 3.75Å; F152-I201 HydrophobicContact CD1-CG1 4.03Å; F152-I201 HydrophobicContact CD2-CG1 4.34Å; F152-I201 HydrophobicContact CE1-CD1 3.96Å; F152-I201 HydrophobicContact CE1-CG1 3.97Å; F152-I201 HydrophobicContact CE2-CD1 4.12Å; F152-I201 HydrophobicContact CE2-CG1 4.33Å; F152-I201 HydrophobicContact CG-CG1 4.21Å; F152-I201 HydrophobicContact CZ-CD1 3.75Å; F152-I201 HydrophobicContact CZ-CG1 4.13Å; F152-L204 HydrophobicContact CB-CD1 4.1Å; F152-L204 VanDerWaalsContact O-CD1 3.23Å; F152-L204 WeakPolarHBondContact O-CD1 3.48Å; F152-F211 HydrophobicContact CB-CE1 4.08Å; F152-F211 AromaticContact CD1-CD1 3.89Å; F152-F211 HydrophobicContact CD1-CD1 3.89Å; F152-F211 AromaticContact CD1-CE1 3.48Å; F152-F211 HydrophobicContact CD1-CE1 3.48Å; F152-F211 VanDerWaalsContact CD1-CE1 3.48Å; F152-F211 HydrophobicContact CD1-CZ 4.47Å; F152-F211 HydrophobicContact CE1-CD1 4.39Å; F152-F211 HydrophobicContact CE1-CE1 4.39Å; F152-F211 HydrophobicContact CG-CE1 4.24Å; F152-F211 WeakPolarHBondContact O-CZ 3.45Å; F152-V214 HydrophobicContact CE1-CG1 4.01Å; F152-V214 HydrophobicContact CZ-CG1 4.07Å |
| 153 | L | 73.5 | Confident | 71.9 | Confident | 83 Ų | 83 | 36 Ų | 36 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -77 | -29.7 | -175 | -70.2 | 170.4 | 0 | 0 | 0 | 114 | S149 F150 I200 L204 | S149-L153 VanDerWaalsContact O-CB 3.25Å; S149-L153 WeakPolarHBondContact O-CB 3.38Å; S149-L153 VanDerWaalsContact O-CG 3.25Å; S149-L153 WeakPolarHBondContact O-CG 3.35Å; S149-L153 PolarHBondContact O-N 3.27Å; F150-L153 PolarHBondContact O-N 3.37Å; L153-I200 HydrophobicContact CD1-CD1 4.43Å; L153-I200 HydrophobicContact CD2-CG2 3.79Å; L153-I200 HydrophobicContact CG-CG2 3.83Å; L153-L204 HydrophobicContact CD2-CD1 4.28Å; L153-L204 HydrophobicContact CD2-CD2 3.95Å; L153-L204 HydrophobicContact CD2-CG 4.12Å |
| 154 | K | 69.8 | Low | 71.1 | Confident | 59 Ų | 59 | 36 Ų | 36 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -120.8 | -56.1 | -169.8 | -94.1 | -171 | 166.6 | -134 | 0 | 113.4 | I105 S106 N108 L110 F150 S157 | I105-K154 PolarHBondContact O-NZ 3.24Å; S106-K154 VanDerWaalsContact C-NZ 3.3Å; S106-K154 WeakPolarHBondContact O-CE 3.41Å; S106-K154 PolarHBondContact O-NZ 2.73Å; N108-K154 PolarHBondContact O-NZ 3.35Å; L110-K154 HydrophobicContact CD1-CB 4.14Å; F150-K154 HydrophobicContact CD2-CB 4.3Å; F150-K154 HydrophobicContact CD2-CD 4.01Å; F150-K154 HydrophobicContact CE2-CB 4.09Å; F150-K154 HydrophobicContact CE2-CD 3.56Å; F150-K154 HydrophobicContact CE2-CG 4.45Å; F150-K154 HydrophobicContact CZ-CD 4.47Å; F150-K154 WeakPolarHBondContact O-CB 3.39Å; F150-K154 PolarHBondContact O-N 3.25Å; K154-S157 PolarHBondContact O-N 3.17Å; K154-S157 PolarHBondContact O-OG 2.6Å |
| 155 | V | 62.4 | Low | 70.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -70.4 | -50.9 | -170.3 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | F150 I151 S157 E158 F160 | F150-V155 HydrophobicContact CD1-CG2 4.08Å; F150-V155 HydrophobicContact CE1-CG2 3.5Å; F150-V155 HydrophobicContact CZ-CG2 4.05Å; I151-V155 HydrophobicContact CD1-CB 4.1Å; I151-V155 HydrophobicContact CD1-CG1 4.41Å; I151-V155 HydrophobicContact CD1-CG2 3.79Å; I151-V155 PolarHBondContact O-N 2.91Å; V155-S157 PolarHBondContact O-N 3.12Å; V155-E158 PolarHBondContact O-N 3.27Å; V155-E158 VanDerWaalsContact O-N 3.17Å; V155-F160 HydrophobicContact CG1-CB 3.61Å; V155-F160 HydrophobicContact CG1-CD2 4.05Å; V155-F160 HydrophobicContact CG1-CG 3.96Å; V155-F160 WeakPolarHBondContact O-CD2 3.4Å |
| 156 | L | 57.9 | Low | 69.6 | Low | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -67.6 | -22.6 | 178.1 | -75.1 | 166.8 | 0 | 0 | 0 | 112.5 | I151 F152 E158 G159 F211 | I151-L156 HydrophobicContact CG2-CD1 3.96Å; I151-L156 HydrophobicContact CG2-CG 4.08Å; I151-L156 PolarHBondContact O-N 3.33Å; F152-L156 HydrophobicContact CD1-CD1 3.51Å; F152-L156 HydrophobicContact CE1-CD1 3.85Å; F152-L156 HydrophobicContact CG-CD1 4.47Å; L156-E158 PolarHBondContact O-N 2.88Å; L156-G159 PolarHBondContact O-N 3.3Å; L156-F211 HydrophobicContact CB-CD2 4.38Å; L156-F211 HydrophobicContact CB-CE1 4.15Å; L156-F211 HydrophobicContact CB-CE2 3.44Å; L156-F211 VanDerWaalsContact CB-CE2 3.44Å; L156-F211 HydrophobicContact CB-CZ 3.29Å; L156-F211 HydrophobicContact CD1-CD1 4.47Å; L156-F211 HydrophobicContact CD1-CE1 4.01Å; L156-F211 HydrophobicContact CD1-CE2 4.49Å; L156-F211 HydrophobicContact CD1-CZ 4Å; L156-F211 HydrophobicContact CG-CZ 4.29Å |
| 157 | S | 57.2 | Low | 69.3 | Low | 43 Ų | 43 | 39.5 Ų | 39.5 | 30% | 0.301 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -70.8 | -17.4 | 176.3 | 82.2 | 0 | 0 | 0 | 0 | 114 | K154 V155 | K154-S157 PolarHBondContact O-N 3.17Å; K154-S157 PolarHBondContact O-OG 2.6Å; V155-S157 PolarHBondContact O-N 3.12Å |
| 158 | E | 61.4 | Low | 68.8 | Low | 111 Ų | 111 | 39.5 Ų | 39.5 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -104.9 | 2.6 | 178.8 | -68.8 | -171.7 | 176.3 | 0 | 0 | 113.5 | L110 V155 L156 F160 | L110-E158 VanDerWaalsContact CB-OE2 3.29Å; L110-E158 WeakPolarHBondContact CB-OE2 3.5Å; L110-E158 VanDerWaalsContact CD1-CD 3.42Å; L110-E158 HydrophobicContact CD1-CG 4.34Å; L110-E158 VanDerWaalsContact CD1-OE2 3.23Å; L110-E158 WeakPolarHBondContact CD1-OE2 3.29Å; V155-E158 PolarHBondContact O-N 3.27Å; V155-E158 VanDerWaalsContact O-N 3.17Å; L156-E158 PolarHBondContact O-N 2.88Å; E158-F160 HydrophobicContact CB-CD2 3.94Å; E158-F160 HydrophobicContact CB-CE2 3.8Å |
| 159 | G | 56.2 | Low | 68.3 | Low | 55 Ų | 55 | 42.3 Ų | 42.3 | 57% | 0.567 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 50.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L156 | L156-G159 PolarHBondContact O-N 3.3Š|
| 160 | F | 53.2 | Low | 68.1 | Low | 34 Ų | 34 | 44.8 Ų | 44.8 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | trans | -104.3 | 141 | -173.2 | -84.3 | -85.8 | 0 | 0 | 0 | 116.1 | V155 E158 | V155-F160 HydrophobicContact CG1-CB 3.61Å; V155-F160 HydrophobicContact CG1-CD2 4.05Å; V155-F160 HydrophobicContact CG1-CG 3.96Å; V155-F160 WeakPolarHBondContact O-CD2 3.4Å; E158-F160 HydrophobicContact CB-CD2 3.94Å; E158-F160 HydrophobicContact CB-CE2 3.8Å | ||
| 161 | D | 60.4 | Low | 68 | Low | 83 Ų | 83 | 44.1 Ų | 44.1 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | trans | 24.7 | 116.3 | 154.6 | -151.5 | -16 | 0 | 0 | 0 | 121 | C163 V164 T165 | D161-C163 PolarHBondContact O-N 2.97Å; D161-C163 WeakPolarHBondContact OD1-CB 3.14Å; D161-C163 PolarHBondContact OD1-N 2.89Å; D161-V164 HydrophobicContact CB-CG2 4.46Å; D161-V164 PolarHBondContact O-N 3.37Å; D161-V164 VanDerWaalsContact O-N 3.15Å; D161-T165 PolarHBondContact O-N 3.29Å; D161-T165 PolarHBondContact O-OG1 3.34Å | ||
| 162 | D | 65 | Low | 68 | Low | 120 Ų | 120 | 44.2 Ų | 44.2 | 64% | 0.642 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -48.5 | -30.2 | 169.1 | -99.7 | -11.7 | 0 | 0 | 0 | 114 | K166 | D162-K166 WeakPolarHBondContact O-CG 3.48Å; D162-K166 PolarHBondContact O-N 3.48Å |
| 163 | C | 68 | Low | 68 | Low | 50 Ų | 50 | 49.9 Ų | 49.9 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | -178.8 | -163.3 | 0 | 0 | 0 | 0 | 112.5 | D161 T165 K166 C167 | D161-C163 PolarHBondContact O-N 2.97Å; D161-C163 WeakPolarHBondContact OD1-CB 3.14Å; D161-C163 PolarHBondContact OD1-N 2.89Å; C163-T165 VanDerWaalsContact C-N 3.33Å; C163-K166 PolarHBondContact O-N 3.08Å; C163-C167 PolarHBondContact O-N 3.37Å; C163-C167 PolarHBondContact O-SG 3.38Å |
| 164 | V | 69.2 | Low | 68.3 | Low | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 178 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | C118 W147 I151 D161 K166 C167 V168 | C118-V164 HydrophobicContact CB-CG2 4.41Å; W147-V164 HydrophobicContact CH2-CG1 4.33Å; W147-V164 HydrophobicContact CZ2-CG1 4.35Å; I151-V164 HydrophobicContact CD1-CG1 3.76Å; I151-V164 HydrophobicContact CG1-CG1 4.1Å; I151-V164 HydrophobicContact CG2-CG1 3.71Å; D161-V164 HydrophobicContact CB-CG2 4.46Å; D161-V164 PolarHBondContact O-N 3.37Å; D161-V164 VanDerWaalsContact O-N 3.15Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 3.36Å; V164-C167 WeakPolarHBondContact O-CB 3.18Å; V164-C167 PolarHBondContact O-N 3.28Å; V164-C167 VanDerWaalsContact O-N 3.09Å; V164-V168 WeakPolarHBondContact O-CG2 3.2Å; V164-V168 PolarHBondContact O-N 3.49Å |
| 165 | T | 67.9 | Low | 68.8 | Low | 15 Ų | 15 | 43.7 Ų | 43.7 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 112 | D161 C163 K169 V214 | D161-T165 PolarHBondContact O-N 3.29Å; D161-T165 PolarHBondContact O-OG1 3.34Å; C163-T165 VanDerWaalsContact C-N 3.33Å; T165-K169 WeakPolarHBondContact O-CG 3.08Å; T165-K169 PolarHBondContact O-N 3.12Å; T165-V214 HydrophobicContact CG2-CG2 3.37Å |
| 166 | K | 72.5 | Confident | 69.4 | Low | 135 Ų | 135 | 44 Ų | 44 | 59% | 0.587 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.2 | -44.1 | 172.6 | -76.1 | 172.6 | -175.5 | 170 | 0 | 111.7 | D162 C163 V164 V168 K169 V170 | D162-K166 WeakPolarHBondContact O-CG 3.48Å; D162-K166 PolarHBondContact O-N 3.48Å; C163-K166 PolarHBondContact O-N 3.08Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 3.36Å; K166-V168 PolarHBondContact O-N 3.12Å; K166-K169 WeakPolarHBondContact O-CB 3.26Å; K166-K169 PolarHBondContact O-N 2.9Å; K166-V170 WeakPolarHBondContact O-CG2 3.26Å; K166-V170 PolarHBondContact O-N 2.66Å; K166-V170 VanDerWaalsContact O-N 3.09Å |
| 167 | C | 75.5 | Confident | 70.3 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | -179.6 | -73.1 | 0 | 0 | 0 | 0 | 113.1 | S122 W147 C163 V164 K169 V170 I171 | S122-C167 VanDerWaalsContact CB-CB 3.46Å; S122-C167 WeakPolarHBondContact OG-CB 3.4Å; S122-C167 PolarHBondContact OG-SG 3.34Å; S122-C167 VanDerWaalsContact OG-SG 3.35Å; W147-C167 HydrophobicContact CH2-CB 4.2Å; C163-C167 PolarHBondContact O-N 3.37Å; C163-C167 PolarHBondContact O-SG 3.38Å; V164-C167 WeakPolarHBondContact O-CB 3.18Å; V164-C167 PolarHBondContact O-N 3.28Å; V164-C167 VanDerWaalsContact O-N 3.09Å; C167-K169 VanDerWaalsContact C-N 3.29Å; C167-K169 PolarHBondContact O-N 2.9Å; C167-V170 PolarHBondContact O-N 3.35Å; C167-I171 WeakPolarHBondContact O-CG1 3.5Å; C167-I171 PolarHBondContact O-N 3Å |
| 168 | V | 75.5 | Confident | 71.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.9 | -47 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | W147 I151 F152 V164 K166 V170 I171 C172 V214 | W147-V168 HydrophobicContact CH2-CG2 3.68Å; W147-V168 HydrophobicContact CZ3-CB 4.4Å; W147-V168 HydrophobicContact CZ3-CG2 3.55Å; I151-V168 HydrophobicContact CB-CG2 4.47Å; I151-V168 HydrophobicContact CG2-CG2 3.86Å; F152-V168 HydrophobicContact CE1-CG1 4.48Å; F152-V168 HydrophobicContact CE2-CG1 4.04Å; F152-V168 HydrophobicContact CZ-CG1 3.63Å; V164-V168 WeakPolarHBondContact O-CG2 3.2Å; V164-V168 PolarHBondContact O-N 3.49Å; K166-V168 PolarHBondContact O-N 3.12Å; V168-V170 PolarHBondContact O-N 2.96Å; V168-I171 PolarHBondContact O-N 3.34Å; V168-C172 PolarHBondContact O-N 3.24Å; V168-C172 VanDerWaalsContact O-N 3.1Å; V168-C172 PolarHBondContact O-SG 2.61Å; V168-V214 HydrophobicContact CG1-CG1 4.32Å |
| 169 | K | 72.7 | Confident | 71.8 | Confident | 59 Ų | 59 | 44.3 Ų | 44.3 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 178.4 | -68.4 | 176.2 | -175.3 | -176.1 | 0 | 111.9 | T165 K166 C167 R173 A217 | T165-K169 WeakPolarHBondContact O-CG 3.08Å; T165-K169 PolarHBondContact O-N 3.12Å; K166-K169 WeakPolarHBondContact O-CB 3.26Å; K166-K169 PolarHBondContact O-N 2.9Å; C167-K169 VanDerWaalsContact C-N 3.29Å; C167-K169 PolarHBondContact O-N 2.9Å; K169-R173 WeakPolarHBondContact O-CG 3.42Å; K169-R173 PolarHBondContact O-N 2.68Å; K169-R173 VanDerWaalsContact O-N 3.09Å; K169-A217 HydrophobicContact CD-CB 3.98Å; K169-A217 VanDerWaalsContact CE-CB 3.5Å |
| 170 | V | 77.2 | Confident | 72.3 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 38% | 0.376 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.5 | -41.7 | -178.5 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | L126 K166 C167 V168 C172 R173 S174 | L126-V170 HydrophobicContact CD1-CB 4.16Å; L126-V170 HydrophobicContact CD1-CG1 4.03Å; L126-V170 HydrophobicContact CD2-CB 3.72Å; L126-V170 HydrophobicContact CD2-CG1 3.31Å; L126-V170 HydrophobicContact CG-CG1 4.32Å; K166-V170 WeakPolarHBondContact O-CG2 3.26Å; K166-V170 PolarHBondContact O-N 2.66Å; K166-V170 VanDerWaalsContact O-N 3.09Å; C167-V170 PolarHBondContact O-N 3.35Å; V168-V170 PolarHBondContact O-N 2.96Å; V170-C172 VanDerWaalsContact C-N 3.32Å; V170-C172 PolarHBondContact O-N 3.45Å; V170-R173 PolarHBondContact O-N 3.32Å; V170-S174 PolarHBondContact O-N 3.32Å; V170-S174 PolarHBondContact O-OG 2.91Å |
| 171 | I | 80.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 178.8 | -73.5 | 168.1 | 0 | 0 | 0 | 110.5 | L125 L126 L129 A144 W147 C167 V168 R173 S174 I175 | L125-I171 HydrophobicContact CB-CD1 3.89Å; L125-I171 HydrophobicContact CB-CG1 4.23Å; L125-I171 HydrophobicContact CD1-CD1 3.91Å; L126-I171 HydrophobicContact CD2-CB 4.34Å; L126-I171 HydrophobicContact CD2-CG1 3.62Å; L126-I171 HydrophobicContact CG-CG1 3.78Å; L129-I171 HydrophobicContact CD1-CG2 3.96Å; A144-I171 HydrophobicContact CB-CG2 3.99Å; W147-I171 HydrophobicContact CE3-CD1 3.9Å; W147-I171 HydrophobicContact CH2-CD1 4.09Å; W147-I171 HydrophobicContact CZ3-CD1 3.57Å; C167-I171 WeakPolarHBondContact O-CG1 3.5Å; C167-I171 PolarHBondContact O-N 3Å; V168-I171 PolarHBondContact O-N 3.34Å; I171-R173 PolarHBondContact O-N 3.39Å; I171-S174 WeakPolarHBondContact O-CB 3.43Å; I171-S174 PolarHBondContact O-N 2.73Å; I171-S174 VanDerWaalsContact O-N 3.16Å; I171-I175 HydrophobicContact CG2-CD1 3.99Å; I171-I175 WeakPolarHBondContact O-CG1 3.16Å; I171-I175 PolarHBondContact O-N 2.99Å |
| 172 | C | 77.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.7 | -35.1 | -179.5 | -63 | 0 | 0 | 0 | 0 | 112.5 | V168 V170 S174 I175 Y176 F194 F218 | V168-C172 PolarHBondContact O-N 3.24Å; V168-C172 VanDerWaalsContact O-N 3.1Å; V168-C172 PolarHBondContact O-SG 2.61Å; V170-C172 VanDerWaalsContact C-N 3.32Å; V170-C172 PolarHBondContact O-N 3.45Å; C172-S174 VanDerWaalsContact C-N 3.34Å; C172-I175 PolarHBondContact O-N 2.96Å; C172-Y176 VanDerWaalsContact O-CB 3.27Å; C172-Y176 WeakPolarHBondContact O-CB 3.44Å; C172-Y176 PolarHBondContact O-N 3.44Å; C172-F194 HydrophobicContact CB-CE1 4.45Å; C172-F218 HydrophobicContact CB-CD2 3.97Å; C172-F218 HydrophobicContact CB-CE2 3.13Å; C172-F218 HydrophobicContact CB-CZ 3.74Å; C172-F218 WeakPolarHBondContact SG-CE2 3.26Å |
| 173 | R | 75 | Confident | 74 | Confident | 121 Ų | 121 | 41.7 Ų | 41.7 | 46% | 0.457 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 169.1 | -76.6 | 177.6 | 179.7 | -173.6 | -1.1 | 111.8 | K169 V170 I171 Y176 L177 D221 | K169-R173 WeakPolarHBondContact O-CG 3.42Å; K169-R173 PolarHBondContact O-N 2.68Å; K169-R173 VanDerWaalsContact O-N 3.09Å; V170-R173 PolarHBondContact O-N 3.32Å; I171-R173 PolarHBondContact O-N 3.39Å; R173-Y176 WeakPolarHBondContact O-CB 3.35Å; R173-Y176 PolarHBondContact O-N 3.21Å; R173-L177 PolarHBondContact O-N 3.45Å; R173-D221 IonicContact CZ-OD2 3.71Å; R173-D221 IonicContact NE-OD2 3.45Å; R173-D221 PolarHBondContact NE-OD2 3.2Å; R173-D221 IonicContact NH2-OD1 3.71Å; R173-D221 PolarHBondContact NH2-OD1 2.98Å; R173-D221 VanDerWaalsContact NH2-OD1 3.17Å; R173-D221 IonicContact NH2-OD2 3.66Å; R173-D221 PolarHBondContact NH2-OD2 3.1Å |
| 174 | S | 78.8 | Confident | 74 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | V170 I171 C172 Y176 L177 H178 | V170-S174 PolarHBondContact O-N 3.32Å; V170-S174 PolarHBondContact O-OG 2.91Å; I171-S174 WeakPolarHBondContact O-CB 3.43Å; I171-S174 PolarHBondContact O-N 2.73Å; I171-S174 VanDerWaalsContact O-N 3.16Å; C172-S174 VanDerWaalsContact C-N 3.34Å; S174-Y176 VanDerWaalsContact C-N 3.35Å; S174-L177 PolarHBondContact O-N 3.12Å; S174-H178 PolarHBondContact O-CD2 2.95Å; S174-H178 VanDerWaalsContact O-CD2 3.3Å |
| 175 | I | 79.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.1 | -67.8 | 171.4 | 0 | 0 | 0 | 111 | L129 I141 A144 I171 C172 L177 H178 V190 F193 F194 | L129-I175 HydrophobicContact CD1-CD1 4.25Å; L129-I175 HydrophobicContact CD1-CG1 3.71Å; L129-I175 HydrophobicContact CD2-CG1 3.69Å; L129-I175 HydrophobicContact CG-CG1 4.36Å; I141-I175 HydrophobicContact CG1-CG1 4.46Å; A144-I175 HydrophobicContact CB-CD1 3.79Å; I171-I175 HydrophobicContact CG2-CD1 3.99Å; I171-I175 WeakPolarHBondContact O-CG1 3.16Å; I171-I175 PolarHBondContact O-N 2.99Å; C172-I175 PolarHBondContact O-N 2.96Å; I175-L177 PolarHBondContact O-N 3.14Å; I175-H178 WeakPolarHBondContact O-CB 3.39Å; I175-H178 PolarHBondContact O-N 3.28Å; I175-V190 HydrophobicContact CG2-CB 4.44Å; I175-V190 HydrophobicContact CG2-CG1 3.99Å; I175-V190 HydrophobicContact CG2-CG2 4.09Å; I175-F193 HydrophobicContact CD1-CD1 3.97Å; I175-F193 HydrophobicContact CD1-CD2 3.85Å; I175-F193 HydrophobicContact CD1-CE1 3.66Å; I175-F193 HydrophobicContact CD1-CE2 3.52Å; I175-F193 HydrophobicContact CD1-CG 4.08Å; I175-F193 HydrophobicContact CD1-CZ 3.43Å; I175-F193 VanDerWaalsContact CD1-CZ 3.43Å; I175-F193 HydrophobicContact CG2-CD1 3.87Å; I175-F193 HydrophobicContact CG2-CE1 4.31Å; I175-F193 HydrophobicContact CG2-CG 4.28Å; I175-F194 HydrophobicContact CG2-CE2 4.04Å; I175-F194 HydrophobicContact CG2-CZ 4.27Å |
| 176 | Y | 75.4 | Confident | 75 | Confident | 8 Ų | 8 | 45 Ų | 45 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.3 | -33.3 | 177.8 | 169.1 | -105.2 | 0 | 0 | 0 | 113.4 | C172 R173 S174 H178 A179 I222 C225 N239 S240 C243 | C172-Y176 VanDerWaalsContact O-CB 3.27Å; C172-Y176 WeakPolarHBondContact O-CB 3.44Å; C172-Y176 PolarHBondContact O-N 3.44Å; R173-Y176 WeakPolarHBondContact O-CB 3.35Å; R173-Y176 PolarHBondContact O-N 3.21Å; S174-Y176 VanDerWaalsContact C-N 3.35Å; Y176-H178 PolarHBondContact O-N 3.25Å; Y176-H178 VanDerWaalsContact O-N 3.11Å; Y176-A179 VanDerWaalsContact O-CB 3.32Å; Y176-A179 WeakPolarHBondContact O-CB 3.24Å; Y176-A179 PolarHBondContact O-N 2.9Å; Y176-A179 VanDerWaalsContact O-N 3.09Å; Y176-I222 HydrophobicContact CD2-CB 4.49Å; Y176-I222 HydrophobicContact CD2-CG1 4.48Å; Y176-I222 HydrophobicContact CD2-CG2 3.55Å; Y176-I222 HydrophobicContact CE2-CG2 3.64Å; Y176-I222 HydrophobicContact CG-CG1 4.37Å; Y176-I222 HydrophobicContact CG-CG2 4.25Å; Y176-C225 HydrophobicContact CE1-CB 4.33Å; Y176-N239 HydrophobicContact CE1-CB 4.44Å; Y176-N239 HydrophobicContact CE2-CB 3.85Å; Y176-N239 PolarHBondContact O-ND2 3.35Å; Y176-S240 WeakPolarHBondContact OH-CA 3.39Å; Y176-S240 PolarHBondContact OH-N 3.45Å; Y176-S240 PolarHBondContact OH-OG 3.3Å; Y176-C243 HydrophobicContact CD2-CB 4.26Å; Y176-C243 HydrophobicContact CE2-CB 4.26Å |
| 177 | L | 76.3 | Confident | 75.1 | Confident | 119 Ų | 119 | 40.6 Ų | 40.6 | 62% | 0.623 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.9 | 175.7 | -67.1 | 171.6 | 0 | 0 | 0 | 113 | R173 S174 I175 N239 | R173-L177 PolarHBondContact O-N 3.45Å; S174-L177 PolarHBondContact O-N 3.12Å; I175-L177 PolarHBondContact O-N 3.14Å; L177-N239 PolarHBondContact O-ND2 2.91Å |
| 178 | H | 79.6 | Confident | 75.3 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.2 | 179.7 | -62.2 | -70.7 | 0 | 0 | 0 | 114.1 | L129 S174 I175 Y176 G180 S181 V186 V190 | L129-H178 PolarHBondContact O-NE2 2.77Å; S174-H178 PolarHBondContact O-CD2 2.95Å; S174-H178 VanDerWaalsContact O-CD2 3.3Å; I175-H178 WeakPolarHBondContact O-CB 3.39Å; I175-H178 PolarHBondContact O-N 3.28Å; Y176-H178 PolarHBondContact O-N 3.25Å; Y176-H178 VanDerWaalsContact O-N 3.11Å; H178-G180 PolarHBondContact O-N 3.25Å; H178-G180 VanDerWaalsContact O-N 3.17Å; H178-S181 VanDerWaalsContact O-CB 3.24Å; H178-S181 WeakPolarHBondContact O-CB 3.44Å; H178-S181 PolarHBondContact O-N 2.93Å; H178-S181 VanDerWaalsContact O-N 3.07Å; H178-V186 HydrophobicContact CB-CG1 4.07Å; H178-V190 HydrophobicContact CB-CG2 3.97Å |
| 179 | A | 71.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y176 V190 N239 C243 | Y176-A179 VanDerWaalsContact O-CB 3.32Å; Y176-A179 WeakPolarHBondContact O-CB 3.24Å; Y176-A179 PolarHBondContact O-N 2.9Å; Y176-A179 VanDerWaalsContact O-N 3.09Å; A179-V190 HydrophobicContact CB-CG1 3.83Å; A179-N239 HydrophobicContact CB-CB 4.02Å; A179-C243 WeakPolarHBondContact CB-SG 3.49Å |
| 180 | G | 66.3 | Low | 76 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 12.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H178 K238 N239 | H178-G180 PolarHBondContact O-N 3.25Å; H178-G180 VanDerWaalsContact O-N 3.17Å; G180-K238 PolarHBondContact O-NZ 3.24Å; G180-N239 WeakPolarHBondContact CA-OD1 3.33Å; G180-N239 PolarHBondContact N-OD1 2.74Å |
| 181 | S | 74 | Confident | 76 | Confident | 32 Ų | 32 | 44 Ų | 44 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | trans | -50.9 | 144.7 | -179.3 | -177.3 | 0 | 0 | 0 | 0 | 112 | H178 N183 | H178-S181 VanDerWaalsContact O-CB 3.24Å; H178-S181 WeakPolarHBondContact O-CB 3.44Å; H178-S181 PolarHBondContact O-N 2.93Å; H178-S181 VanDerWaalsContact O-N 3.07Å; S181-N183 PolarHBondContact O-N 2.9Å; S181-N183 PolarHBondContact OG-N 2.86Å | ||
| 182 | S | 64.6 | Low | 76 | Confident | 127 Ų | 127 | 48.4 Ų | 48.4 | 89% | 0.888 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.3 | -14.6 | 171.9 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 183 | N | 75.3 | Confident | 76.4 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | trans | -89.6 | 109.4 | 177.2 | -170.4 | -36.4 | 0 | 0 | 0 | 110.9 | T134 S181 V185 V186 E187 | T134-N183 WeakPolarHBondContact CG2-ND2 3.32Å; S181-N183 PolarHBondContact O-N 2.9Å; S181-N183 PolarHBondContact OG-N 2.86Å; N183-V185 PolarHBondContact O-N 2.99Å; N183-V185 VanDerWaalsContact O-N 3.09Å; N183-V185 WeakPolarHBondContact OD1-CB 3.48Å; N183-V185 PolarHBondContact OD1-N 2.84Å; N183-V186 HydrophobicContact CB-CB 4.34Å; N183-V186 HydrophobicContact CB-CG2 4.07Å; N183-V186 PolarHBondContact O-N 3.5Å; N183-E187 PolarHBondContact O-N 3.21Å | ||
| 184 | G | 69.4 | Low | 76.7 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.9 | -23.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K188 | G184-K188 VanDerWaalsContact O-CB 3.28Å; G184-K188 WeakPolarHBondContact O-CB 3.1Å; G184-K188 PolarHBondContact O-N 3.26Å |
| 185 | V | 76.2 | Confident | 76.6 | Confident | 85 Ų | 85 | 45 Ų | 45 | 52% | 0.515 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74 | -39.3 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | L138 N183 S189 | L138-V185 HydrophobicContact CD1-CG1 3.99Å; L138-V185 HydrophobicContact CD2-CG1 4.13Å; N183-V185 PolarHBondContact O-N 2.99Å; N183-V185 VanDerWaalsContact O-N 3.09Å; N183-V185 WeakPolarHBondContact OD1-CB 3.48Å; N183-V185 PolarHBondContact OD1-N 2.84Å; V185-S189 WeakPolarHBondContact O-CB 3.27Å; V185-S189 PolarHBondContact O-N 3.42Å; V185-S189 PolarHBondContact O-OG 3.42Å |
| 186 | V | 80.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -47.1 | 175.5 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | T134 L137 L138 H178 N183 K188 S189 V190 | T134-V186 HydrophobicContact CG2-CG2 3.61Å; L137-V186 HydrophobicContact CD2-CG1 3.78Å; L137-V186 HydrophobicContact CD2-CG2 4.29Å; L138-V186 HydrophobicContact CD2-CG2 4.33Å; H178-V186 HydrophobicContact CB-CG1 4.07Å; N183-V186 HydrophobicContact CB-CB 4.34Å; N183-V186 HydrophobicContact CB-CG2 4.07Å; N183-V186 PolarHBondContact O-N 3.5Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.41Å; V186-S189 PolarHBondContact O-N 3.25Å; V186-S189 VanDerWaalsContact O-N 3.15Å; V186-V190 HydrophobicContact CG1-CG2 4.35Å; V186-V190 VanDerWaalsContact O-CG2 3.3Å; V186-V190 WeakPolarHBondContact O-CG2 3.41Å; V186-V190 PolarHBondContact O-N 3.19Å |
| 187 | E | 75.7 | Confident | 76.8 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.9 | -48.1 | 177.4 | -168.8 | -167.3 | 148.9 | 0 | 0 | 111.5 | N183 S189 V190 Q191 H242 | N183-E187 PolarHBondContact O-N 3.21Å; E187-S189 PolarHBondContact O-N 3.35Å; E187-V190 PolarHBondContact O-N 3.25Å; E187-Q191 WeakPolarHBondContact O-CG 3.14Å; E187-Q191 PolarHBondContact O-N 2.81Å; E187-Q191 PolarHBondContact OE1-NE2 3.25Å; E187-H242 IonicContact OE1-CE1 3.73Å; E187-H242 PolarHBondContact OE1-CE1 3.27Å; E187-H242 IonicContact OE1-CG 2.71Å; E187-H242 IonicContact OE1-ND1 3.83Å; E187-H242 PolarHBondContact OE1-ND1 2.73Å |
| 188 | K | 78.3 | Confident | 76.7 | Confident | 126 Ų | 126 | 42.4 Ų | 42.4 | 55% | 0.548 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.6 | -171.6 | 178.6 | 178.3 | -174.9 | 0 | 112.5 | G184 V186 V190 Q191 E192 | G184-K188 VanDerWaalsContact O-CB 3.28Å; G184-K188 WeakPolarHBondContact O-CB 3.1Å; G184-K188 PolarHBondContact O-N 3.26Å; V186-K188 VanDerWaalsContact C-N 3.33Å; V186-K188 PolarHBondContact O-N 3.41Å; K188-V190 VanDerWaalsContact C-N 3.33Å; K188-V190 PolarHBondContact O-N 3.29Å; K188-Q191 PolarHBondContact O-N 3.24Å; K188-E192 VanDerWaalsContact CE-OE1 3.27Å; K188-E192 WeakPolarHBondContact CE-OE1 3.49Å; K188-E192 WeakPolarHBondContact O-CG 3.36Å; K188-E192 PolarHBondContact O-N 3.24Å |
| 189 | S | 80.4 | Confident | 76.5 | Confident | 29 Ų | 29 | 41.8 Ų | 41.8 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | L138 V185 V186 E187 F193 | L138-S189 WeakPolarHBondContact CD2-OG 3.31Å; V185-S189 WeakPolarHBondContact O-CB 3.27Å; V185-S189 PolarHBondContact O-N 3.42Å; V185-S189 PolarHBondContact O-OG 3.42Å; V186-S189 PolarHBondContact O-N 3.25Å; V186-S189 VanDerWaalsContact O-N 3.15Å; E187-S189 PolarHBondContact O-N 3.35Å; S189-F193 WeakPolarHBondContact O-CB 3.45Å; S189-F193 PolarHBondContact O-N 3.12Å |
| 190 | V | 82.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I141 I175 H178 A179 V186 E187 K188 E192 F193 F194 | I141-V190 HydrophobicContact CD1-CG2 4.03Å; I175-V190 HydrophobicContact CG2-CB 4.44Å; I175-V190 HydrophobicContact CG2-CG1 3.99Å; I175-V190 HydrophobicContact CG2-CG2 4.09Å; H178-V190 HydrophobicContact CB-CG2 3.97Å; A179-V190 HydrophobicContact CB-CG1 3.83Å; V186-V190 HydrophobicContact CG1-CG2 4.35Å; V186-V190 VanDerWaalsContact O-CG2 3.3Å; V186-V190 WeakPolarHBondContact O-CG2 3.41Å; V186-V190 PolarHBondContact O-N 3.19Å; E187-V190 PolarHBondContact O-N 3.25Å; K188-V190 VanDerWaalsContact C-N 3.33Å; K188-V190 PolarHBondContact O-N 3.29Å; V190-E192 PolarHBondContact O-N 3.08Å; V190-F193 WeakPolarHBondContact O-CB 3.4Å; V190-F193 PolarHBondContact O-N 3Å; V190-F194 HydrophobicContact CG1-CD2 3.81Å; V190-F194 HydrophobicContact CG1-CE2 3.59Å; V190-F194 WeakPolarHBondContact O-CD2 3.31Å; V190-F194 PolarHBondContact O-N 2.88Å; V190-F194 VanDerWaalsContact O-N 3.12Å |
| 191 | Q | 77 | Confident | 76.7 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.22 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.5 | -71.8 | 174.8 | 9.5 | 0 | 0 | 112.2 | E187 K188 F194 L195 S246 | E187-Q191 WeakPolarHBondContact O-CG 3.14Å; E187-Q191 PolarHBondContact O-N 2.81Å; E187-Q191 PolarHBondContact OE1-NE2 3.25Å; K188-Q191 PolarHBondContact O-N 3.24Å; Q191-F194 PolarHBondContact O-N 2.95Å; Q191-L195 WeakPolarHBondContact O-CB 3.32Å; Q191-L195 WeakPolarHBondContact O-CG 3.25Å; Q191-L195 PolarHBondContact O-N 3.16Å; Q191-S246 PolarHBondContact O-OG 3.47Å |
| 192 | E | 80.9 | Confident | 76.2 | Confident | 93 Ų | 93 | 43.6 Ų | 43.6 | 44% | 0.435 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.5 | -36.1 | 176.5 | -74.9 | 179.6 | -170.2 | 0 | 0 | 112.8 | K188 V190 H196 | K188-E192 VanDerWaalsContact CE-OE1 3.27Å; K188-E192 WeakPolarHBondContact CE-OE1 3.49Å; K188-E192 WeakPolarHBondContact O-CG 3.36Å; K188-E192 PolarHBondContact O-N 3.24Å; V190-E192 PolarHBondContact O-N 3.08Å; E192-H196 WeakPolarHBondContact O-CB 3.5Å; E192-H196 PolarHBondContact O-N 3.16Å; E192-H196 VanDerWaalsContact O-N 3.11Å |
| 193 | F | 85.9 | Confident | 76.4 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.5 | -53.7 | 172.6 | 171.2 | -89.2 | 0 | 0 | 0 | 110.8 | I141 A144 K145 I175 S189 V190 L195 H196 I197 | I141-F193 HydrophobicContact CG2-CB 4.04Å; I141-F193 HydrophobicContact CG2-CD2 4.43Å; I141-F193 HydrophobicContact CG2-CG 4.48Å; A144-F193 HydrophobicContact CB-CE2 4.05Å; K145-F193 HydrophobicContact CB-CD2 3.84Å; K145-F193 HydrophobicContact CB-CE2 4.3Å; K145-F193 HydrophobicContact CG-CD2 4.4Å; I175-F193 HydrophobicContact CD1-CD1 3.97Å; I175-F193 HydrophobicContact CD1-CD2 3.85Å; I175-F193 HydrophobicContact CD1-CE1 3.66Å; I175-F193 HydrophobicContact CD1-CE2 3.52Å; I175-F193 HydrophobicContact CD1-CG 4.08Å; I175-F193 HydrophobicContact CD1-CZ 3.43Å; I175-F193 VanDerWaalsContact CD1-CZ 3.43Å; I175-F193 HydrophobicContact CG2-CD1 3.87Å; I175-F193 HydrophobicContact CG2-CE1 4.31Å; I175-F193 HydrophobicContact CG2-CG 4.28Å; S189-F193 WeakPolarHBondContact O-CB 3.45Å; S189-F193 PolarHBondContact O-N 3.12Å; V190-F193 WeakPolarHBondContact O-CB 3.4Å; V190-F193 PolarHBondContact O-N 3Å; F193-L195 PolarHBondContact O-N 3.33Å; F193-H196 PolarHBondContact O-N 2.87Å; F193-I197 HydrophobicContact CD1-CG1 4.47Å; F193-I197 HydrophobicContact CD2-CG1 4.39Å; F193-I197 HydrophobicContact CE1-CG1 4.04Å; F193-I197 HydrophobicContact CE2-CD1 4.45Å; F193-I197 HydrophobicContact CE2-CG1 3.95Å; F193-I197 HydrophobicContact CZ-CG1 3.75Å; F193-I197 WeakPolarHBondContact O-CG1 3.41Å; F193-I197 PolarHBondContact O-N 3.21Å |
| 194 | F | 80.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | -177.7 | -75.7 | -66.8 | 0 | 0 | 0 | 112.7 | C172 I175 V190 Q191 H196 I197 L198 F218 I222 C243 | C172-F194 HydrophobicContact CB-CE1 4.45Å; I175-F194 HydrophobicContact CG2-CE2 4.04Å; I175-F194 HydrophobicContact CG2-CZ 4.27Å; V190-F194 HydrophobicContact CG1-CD2 3.81Å; V190-F194 HydrophobicContact CG1-CE2 3.59Å; V190-F194 WeakPolarHBondContact O-CD2 3.31Å; V190-F194 PolarHBondContact O-N 2.88Å; V190-F194 VanDerWaalsContact O-N 3.12Å; Q191-F194 PolarHBondContact O-N 2.95Å; F194-H196 VanDerWaalsContact C-N 3.26Å; F194-H196 PolarHBondContact O-N 3.3Å; F194-I197 PolarHBondContact O-N 2.84Å; F194-L198 VanDerWaalsContact O-CB 3.32Å; F194-L198 WeakPolarHBondContact O-CB 3.3Å; F194-L198 WeakPolarHBondContact O-CD1 3.34Å; F194-L198 WeakPolarHBondContact O-CG 3.49Å; F194-L198 PolarHBondContact O-N 3.49Å; F194-F218 AromaticContact CD1-CE1 3.45Å; F194-F218 HydrophobicContact CD1-CE1 3.45Å; F194-F218 VanDerWaalsContact CD1-CE1 3.45Å; F194-F218 AromaticContact CD1-CZ 3.4Å; F194-F218 HydrophobicContact CD1-CZ 3.4Å; F194-F218 VanDerWaalsContact CD1-CZ 3.4Å; F194-F218 AromaticContact CE1-CE1 3.47Å; F194-F218 HydrophobicContact CE1-CE1 3.47Å; F194-F218 VanDerWaalsContact CE1-CE1 3.47Å; F194-F218 HydrophobicContact CE1-CE2 4.27Å; F194-F218 AromaticContact CE1-CZ 3.21Å; F194-F218 HydrophobicContact CE1-CZ 3.21Å; F194-I222 HydrophobicContact CD1-CD1 4.36Å; F194-I222 HydrophobicContact CE1-CD1 3.49Å; F194-I222 VanDerWaalsContact CE1-CD1 3.49Å; F194-I222 HydrophobicContact CZ-CD1 3.93Å; F194-C243 VanDerWaalsContact CD2-SG 3.56Å; F194-C243 WeakPolarHBondContact CE2-SG 3.21Å |
| 195 | L | 77.7 | Confident | 75 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.3 | -42.6 | 174.1 | -81.2 | 164.6 | 0 | 0 | 0 | 111.7 | Q191 F193 G199 K249 C250 | Q191-L195 WeakPolarHBondContact O-CB 3.32Å; Q191-L195 WeakPolarHBondContact O-CG 3.25Å; Q191-L195 PolarHBondContact O-N 3.16Å; F193-L195 PolarHBondContact O-N 3.33Å; L195-G199 PolarHBondContact O-N 3.09Å; L195-K249 HydrophobicContact CD2-CB 3.87Å; L195-K249 HydrophobicContact CD2-CD 4.14Å; L195-C250 PolarHBondContact O-SG 2.93Å; L195-C250 VanDerWaalsContact O-SG 3.37Å |
| 196 | H | 81.7 | Confident | 73.8 | Confident | 72 Ų | 72 | 46.4 Ų | 46.4 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.1 | -48.4 | -179.5 | -174 | 69.9 | 0 | 0 | 0 | 112.6 | K145 S149 E192 F193 F194 G199 I200 | K145-H196 HydrophobicContact CD-CB 4.43Å; K145-H196 VanDerWaalsContact CE-CB 3.47Å; K145-H196 WeakPolarHBondContact CE-CD2 3.45Å; K145-H196 HydrophobicContact CG-CB 4.38Å; K145-H196 WeakPolarHBondContact CG-CD2 3.47Å; S149-H196 PolarHBondContact OG-CD2 3.42Å; S149-H196 PolarHBondContact OG-NE2 3.41Å; E192-H196 WeakPolarHBondContact O-CB 3.5Å; E192-H196 PolarHBondContact O-N 3.16Å; E192-H196 VanDerWaalsContact O-N 3.11Å; F193-H196 PolarHBondContact O-N 2.87Å; F194-H196 VanDerWaalsContact C-N 3.26Å; F194-H196 PolarHBondContact O-N 3.3Å; H196-G199 PolarHBondContact O-N 3.43Å; H196-I200 WeakPolarHBondContact NE2-CD1 3.37Å; H196-I200 WeakPolarHBondContact O-CG1 3.38Å; H196-I200 PolarHBondContact O-N 3.03Å |
| 197 | I | 77.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | -178.2 | -65.5 | -48.7 | 0 | 0 | 0 | 111.5 | C148 F152 F193 F194 G199 I200 I201 | C148-I197 HydrophobicContact CB-CD1 3.36Å; C148-I197 HydrophobicContact CB-CG1 4.15Å; F152-I197 HydrophobicContact CD2-CG2 4.03Å; F152-I197 HydrophobicContact CE2-CG2 3.44Å; F152-I197 VanDerWaalsContact CE2-CG2 3.44Å; F152-I197 HydrophobicContact CZ-CG2 4.22Å; F193-I197 HydrophobicContact CD1-CG1 4.47Å; F193-I197 HydrophobicContact CD2-CG1 4.39Å; F193-I197 HydrophobicContact CE1-CG1 4.04Å; F193-I197 HydrophobicContact CE2-CD1 4.45Å; F193-I197 HydrophobicContact CE2-CG1 3.95Å; F193-I197 HydrophobicContact CZ-CG1 3.75Å; F193-I197 WeakPolarHBondContact O-CG1 3.41Å; F193-I197 PolarHBondContact O-N 3.21Å; F194-I197 PolarHBondContact O-N 2.84Å; I197-G199 VanDerWaalsContact C-N 3.34Å; I197-G199 PolarHBondContact O-N 3.18Å; I197-I200 PolarHBondContact O-N 3.14Å; I197-I201 HydrophobicContact CG2-CD1 3.91Å; I197-I201 WeakPolarHBondContact O-CG1 3.48Å; I197-I201 PolarHBondContact O-N 2.97Å |
| 198 | L | 73.9 | Confident | 71.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 177.4 | -67.1 | 167.5 | 0 | 0 | 0 | 111.6 | F194 I200 I201 L202 F215 F218 V247 C250 | F194-L198 VanDerWaalsContact O-CB 3.32Å; F194-L198 WeakPolarHBondContact O-CB 3.3Å; F194-L198 WeakPolarHBondContact O-CD1 3.34Å; F194-L198 WeakPolarHBondContact O-CG 3.49Å; F194-L198 PolarHBondContact O-N 3.49Å; L198-I200 VanDerWaalsContact C-N 3.31Å; L198-I200 PolarHBondContact O-N 3.26Å; L198-I201 PolarHBondContact O-N 3.46Å; L198-L202 WeakPolarHBondContact O-CD1 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 3.2Å; L198-F215 HydrophobicContact CD2-CD2 4.45Å; L198-F215 HydrophobicContact CD2-CE2 3.54Å; L198-F215 HydrophobicContact CD2-CZ 4.15Å; L198-F218 HydrophobicContact CD2-CD1 4.5Å; L198-F218 HydrophobicContact CD2-CE1 4.4Å; L198-V247 HydrophobicContact CD1-CB 4.3Å; L198-V247 HydrophobicContact CD1-CG2 3.94Å; L198-C250 HydrophobicContact CB-CB 3.53Å; L198-C250 HydrophobicContact CD1-CB 4.24Å |
| 199 | G | 74.4 | Confident | 69.8 | Low | 31 Ų | 31 | 56.4 Ų | 56.4 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L195 H196 I197 S203 | L195-G199 PolarHBondContact O-N 3.09Å; H196-G199 PolarHBondContact O-N 3.43Å; I197-G199 VanDerWaalsContact C-N 3.34Å; I197-G199 PolarHBondContact O-N 3.18Å; G199-S203 WeakPolarHBondContact O-CB 3.13Å; G199-S203 PolarHBondContact O-N 2.84Å; G199-S203 PolarHBondContact O-OG 3.02Å; G199-S203 VanDerWaalsContact O-OG 3.09Å |
| 200 | I | 73.5 | Confident | 68.5 | Low | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 174.9 | -72.3 | 171.5 | 0 | 0 | 0 | 111 | S149 F152 L153 H196 I197 L198 L202 S203 L204 | S149-I200 VanDerWaalsContact CB-CD1 3.4Å; S149-I200 WeakPolarHBondContact OG-CD1 3.45Å; F152-I200 HydrophobicContact CB-CG2 3.75Å; L153-I200 HydrophobicContact CD1-CD1 4.43Å; L153-I200 HydrophobicContact CD2-CG2 3.79Å; L153-I200 HydrophobicContact CG-CG2 3.83Å; H196-I200 WeakPolarHBondContact NE2-CD1 3.37Å; H196-I200 WeakPolarHBondContact O-CG1 3.38Å; H196-I200 PolarHBondContact O-N 3.03Å; I197-I200 PolarHBondContact O-N 3.14Å; L198-I200 VanDerWaalsContact C-N 3.31Å; L198-I200 PolarHBondContact O-N 3.26Å; I200-L202 VanDerWaalsContact C-N 3.25Å; I200-L202 PolarHBondContact O-N 3.41Å; I200-S203 WeakPolarHBondContact CA-OG 3.08Å; I200-S203 PolarHBondContact O-N 3.32Å; I200-S203 PolarHBondContact O-OG 3.39Å; I200-L204 HydrophobicContact CG2-CD1 3.85Å; I200-L204 HydrophobicContact CG2-CG 4.48Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 3.33Å |
| 201 | I | 68.9 | Low | 67.2 | Low | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -40.7 | -178.8 | -63.9 | 164.6 | 0 | 0 | 0 | 111.1 | F152 I197 L198 F215 | F152-I201 HydrophobicContact CD1-CG1 4.03Å; F152-I201 HydrophobicContact CD2-CG1 4.34Å; F152-I201 HydrophobicContact CE1-CD1 3.96Å; F152-I201 HydrophobicContact CE1-CG1 3.97Å; F152-I201 HydrophobicContact CE2-CD1 4.12Å; F152-I201 HydrophobicContact CE2-CG1 4.33Å; F152-I201 HydrophobicContact CG-CG1 4.21Å; F152-I201 HydrophobicContact CZ-CD1 3.75Å; F152-I201 HydrophobicContact CZ-CG1 4.13Å; I197-I201 HydrophobicContact CG2-CD1 3.91Å; I197-I201 WeakPolarHBondContact O-CG1 3.48Å; I197-I201 PolarHBondContact O-N 2.97Å; L198-I201 PolarHBondContact O-N 3.46Å; I201-F215 HydrophobicContact CB-CD2 4.35Å; I201-F215 HydrophobicContact CD1-CD2 4.05Å; I201-F215 HydrophobicContact CG2-CD2 3.6Å; I201-F215 HydrophobicContact CG2-CE2 4.21Å; I201-F215 HydrophobicContact CG2-CG 4.36Å |
| 202 | L | 65.5 | Low | 66.2 | Low | 56 Ų | 56 | 61.3 Ų | 61.3 | 29% | 0.293 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.2 | -44.9 | 177.8 | -71.7 | 161.6 | 0 | 0 | 0 | 112.9 | L198 I200 L204 N205 C250 L251 | L198-L202 WeakPolarHBondContact O-CD1 3.33Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 3.2Å; I200-L202 VanDerWaalsContact C-N 3.25Å; I200-L202 PolarHBondContact O-N 3.41Å; L202-L204 PolarHBondContact O-N 2.91Å; L202-N205 PolarHBondContact O-N 3.19Å; L202-N205 VanDerWaalsContact O-N 3.13Å; L202-C250 HydrophobicContact CD1-CB 3.64Å; L202-C250 WeakPolarHBondContact CD1-O 3.41Å; L202-L251 HydrophobicContact CD2-CD2 4Å |
| 203 | S | 68.2 | Low | 65.1 | Low | 84 Ų | 84 | 59.3 Ų | 59.3 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.3 | -27 | 178.7 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | G199 I200 N205 | G199-S203 WeakPolarHBondContact O-CB 3.13Å; G199-S203 PolarHBondContact O-N 2.84Å; G199-S203 PolarHBondContact O-OG 3.02Å; G199-S203 VanDerWaalsContact O-OG 3.09Å; I200-S203 WeakPolarHBondContact CA-OG 3.08Å; I200-S203 PolarHBondContact O-N 3.32Å; I200-S203 PolarHBondContact O-OG 3.39Å; S203-N205 PolarHBondContact O-N 2.83Å |
| 204 | L | 63.8 | Low | 63.7 | Low | 35 Ų | 35 | 59.2 Ų | 59.2 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.2 | 177.2 | -81.1 | 164.4 | 0 | 0 | 0 | 112.8 | F152 L153 I200 L202 K206 F211 | F152-L204 HydrophobicContact CB-CD1 4.1Å; F152-L204 VanDerWaalsContact O-CD1 3.23Å; F152-L204 WeakPolarHBondContact O-CD1 3.48Å; L153-L204 HydrophobicContact CD2-CD1 4.28Å; L153-L204 HydrophobicContact CD2-CD2 3.95Å; L153-L204 HydrophobicContact CD2-CG 4.12Å; I200-L204 HydrophobicContact CG2-CD1 3.85Å; I200-L204 HydrophobicContact CG2-CG 4.48Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 3.33Å; L202-L204 PolarHBondContact O-N 2.91Å; L204-K206 WeakPolarHBondContact O-CG 3.27Å; L204-K206 PolarHBondContact O-N 3.48Å; L204-F211 HydrophobicContact CD1-CD1 4.44Å; L204-F211 HydrophobicContact CD1-CE1 3.54Å; L204-F211 HydrophobicContact CD1-CZ 3.89Å |
| 205 | N | 52 | Low | 62.7 | Low | 151 Ų | 151 | 59.8 Ų | 59.8 | 81% | 0.807 | 32% | 0.322 | S | S | * | . | trans | 45.7 | 10 | 168.2 | -121.7 | -2.1 | 0 | 0 | 0 | 116.9 | L202 S203 | L202-N205 PolarHBondContact O-N 3.19Å; L202-N205 VanDerWaalsContact O-N 3.13Å; S203-N205 PolarHBondContact O-N 2.83Å | ||
| 206 | K | 50.6 | Low | 61.7 | Low | 110 Ų | 110 | 63 Ų | 63 | 48% | 0.478 | 33% | 0.33 | S | S | . | . | trans | -86.1 | 121.9 | -177.9 | -79.5 | -175.4 | 179.4 | -170.9 | 0 | 107 | L204 D208 | L204-K206 WeakPolarHBondContact O-CG 3.27Å; L204-K206 PolarHBondContact O-N 3.48Å; K206-D208 HydrophobicContact CB-CB 4.39Å; K206-D208 WeakPolarHBondContact CD-OD2 3.4Å; K206-D208 PolarHBondContact O-N 3.24Å | ||
| 207 | K | 46.7 | Very low | 60.6 | Low | 210 Ų | 210 | 60.3 Ų | 60.3 | 91% | 0.913 | 32% | 0.32 | S | S | * | . | trans | -66.1 | 31.6 | 168.4 | -66.4 | -178.5 | 174.6 | 179.9 | 0 | 112.3 | S209 | K207-S209 PolarHBondContact O-N 2.91Š| ||
| 208 | D | 51.3 | Low | 59.6 | Low | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 32% | 0.322 | S | S | . | . | trans | -73.3 | 124.4 | 177.7 | -84.7 | -34.4 | 0 | 0 | 0 | 109.4 | K206 E210 F211 L212 | K206-D208 HydrophobicContact CB-CB 4.39Å; K206-D208 WeakPolarHBondContact CD-OD2 3.4Å; K206-D208 PolarHBondContact O-N 3.24Å; D208-E210 PolarHBondContact O-N 3.12Å; D208-E210 VanDerWaalsContact O-N 3.16Å; D208-F211 HydrophobicContact CB-CD2 4.16Å; D208-F211 PolarHBondContact O-N 3.24Å; D208-L212 PolarHBondContact O-N 3.43Å | ||
| 209 | S | 51 | Low | 58.8 | Low | 97 Ų | 97 | 61 Ų | 61 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.3 | -29 | -178 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | K207 S213 | K207-S209 PolarHBondContact O-N 2.91Å; S209-S213 PolarHBondContact O-N 3.14Å; S209-S213 VanDerWaalsContact O-N 3.1Å |
| 210 | E | 54.5 | Low | 57.9 | Low | 91 Ų | 91 | 62.3 Ų | 62.3 | 43% | 0.425 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.4 | -47 | -179 | -71.5 | -174.7 | 170.2 | 0 | 0 | 112.4 | D208 L212 S213 V214 | D208-E210 PolarHBondContact O-N 3.12Å; D208-E210 VanDerWaalsContact O-N 3.16Å; E210-L212 VanDerWaalsContact C-N 3.28Å; E210-L212 PolarHBondContact O-N 3.19Å; E210-S213 WeakPolarHBondContact O-CB 3.45Å; E210-S213 PolarHBondContact O-N 2.95Å; E210-S213 VanDerWaalsContact O-N 3.07Å; E210-S213 PolarHBondContact O-OG 3.18Å; E210-V214 PolarHBondContact O-N 3.27Å; E210-V214 VanDerWaalsContact O-N 3.12Å |
| 211 | F | 55.1 | Low | 57 | Low | 13 Ų | 13 | 63.7 Ų | 63.7 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 174.6 | -83.1 | -94.8 | 0 | 0 | 0 | 111.1 | F152 L156 L204 D208 S213 V214 F215 | F152-F211 HydrophobicContact CB-CE1 4.08Å; F152-F211 AromaticContact CD1-CD1 3.89Å; F152-F211 HydrophobicContact CD1-CD1 3.89Å; F152-F211 AromaticContact CD1-CE1 3.48Å; F152-F211 HydrophobicContact CD1-CE1 3.48Å; F152-F211 VanDerWaalsContact CD1-CE1 3.48Å; F152-F211 HydrophobicContact CD1-CZ 4.47Å; F152-F211 HydrophobicContact CE1-CD1 4.39Å; F152-F211 HydrophobicContact CE1-CE1 4.39Å; F152-F211 HydrophobicContact CG-CE1 4.24Å; F152-F211 WeakPolarHBondContact O-CZ 3.45Å; L156-F211 HydrophobicContact CB-CD2 4.38Å; L156-F211 HydrophobicContact CB-CE1 4.15Å; L156-F211 HydrophobicContact CB-CE2 3.44Å; L156-F211 VanDerWaalsContact CB-CE2 3.44Å; L156-F211 HydrophobicContact CB-CZ 3.29Å; L156-F211 HydrophobicContact CD1-CD1 4.47Å; L156-F211 HydrophobicContact CD1-CE1 4.01Å; L156-F211 HydrophobicContact CD1-CE2 4.49Å; L156-F211 HydrophobicContact CD1-CZ 4Å; L156-F211 HydrophobicContact CG-CZ 4.29Å; L204-F211 HydrophobicContact CD1-CD1 4.44Å; L204-F211 HydrophobicContact CD1-CE1 3.54Å; L204-F211 HydrophobicContact CD1-CZ 3.89Å; D208-F211 HydrophobicContact CB-CD2 4.16Å; D208-F211 PolarHBondContact O-N 3.24Å; F211-S213 PolarHBondContact O-N 3.45Å; F211-V214 PolarHBondContact O-N 2.8Å; F211-F215 WeakPolarHBondContact O-CB 3.48Å; F211-F215 PolarHBondContact O-N 2.95Å |
| 212 | L | 56.3 | Low | 56.1 | Low | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.2 | -34.3 | 177.1 | -141.7 | 96.7 | 0 | 0 | 0 | 111.4 | D208 E210 R216 | D208-L212 PolarHBondContact O-N 3.43Å; E210-L212 VanDerWaalsContact C-N 3.28Å; E210-L212 PolarHBondContact O-N 3.19Å; L212-R216 WeakPolarHBondContact O-CB 3.36Å; L212-R216 WeakPolarHBondContact O-CG 3.35Å; L212-R216 PolarHBondContact O-N 3.43Å |
| 213 | S | 57.5 | Low | 55.5 | Low | 51 Ų | 51 | 60.6 Ų | 60.6 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.7 | -40 | 177.8 | 84.3 | 0 | 0 | 0 | 0 | 113.2 | S209 E210 F211 A217 | S209-S213 PolarHBondContact O-N 3.14Å; S209-S213 VanDerWaalsContact O-N 3.1Å; E210-S213 WeakPolarHBondContact O-CB 3.45Å; E210-S213 PolarHBondContact O-N 2.95Å; E210-S213 VanDerWaalsContact O-N 3.07Å; E210-S213 PolarHBondContact O-OG 3.18Å; F211-S213 PolarHBondContact O-N 3.45Å; S213-A217 VanDerWaalsContact O-CB 3.29Å; S213-A217 WeakPolarHBondContact O-CB 3.18Å; S213-A217 PolarHBondContact O-N 3.35Å |
| 214 | V | 56.8 | Low | 54.5 | Low | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | F152 T165 V168 E210 F211 A217 F218 | F152-V214 HydrophobicContact CE1-CG1 4.01Å; F152-V214 HydrophobicContact CZ-CG1 4.07Å; T165-V214 HydrophobicContact CG2-CG2 3.37Å; V168-V214 HydrophobicContact CG1-CG1 4.32Å; E210-V214 PolarHBondContact O-N 3.27Å; E210-V214 VanDerWaalsContact O-N 3.12Å; F211-V214 PolarHBondContact O-N 2.8Å; V214-A217 PolarHBondContact O-N 2.9Å; V214-F218 WeakPolarHBondContact O-CB 3.49Å; V214-F218 PolarHBondContact O-N 3.31Å |
| 215 | F | 58.6 | Low | 53.4 | Low | 13 Ų | 13 | 59 Ų | 59 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -50 | 177.4 | -166.5 | -95.5 | 0 | 0 | 0 | 112.2 | L198 I201 F211 A217 F218 V219 L251 Y259 | L198-F215 HydrophobicContact CD2-CD2 4.45Å; L198-F215 HydrophobicContact CD2-CE2 3.54Å; L198-F215 HydrophobicContact CD2-CZ 4.15Å; I201-F215 HydrophobicContact CB-CD2 4.35Å; I201-F215 HydrophobicContact CD1-CD2 4.05Å; I201-F215 HydrophobicContact CG2-CD2 3.6Å; I201-F215 HydrophobicContact CG2-CE2 4.21Å; I201-F215 HydrophobicContact CG2-CG 4.36Å; F211-F215 WeakPolarHBondContact O-CB 3.48Å; F211-F215 PolarHBondContact O-N 2.95Å; F215-A217 PolarHBondContact O-N 3.43Å; F215-F218 VanDerWaalsContact O-CB 3.29Å; F215-F218 WeakPolarHBondContact O-CB 3.42Å; F215-F218 PolarHBondContact O-N 3.02Å; F215-F218 VanDerWaalsContact O-N 3.13Å; F215-V219 HydrophobicContact CD1-CG2 4.08Å; F215-V219 HydrophobicContact CE1-CG2 3.52Å; F215-V219 HydrophobicContact CZ-CG2 3.75Å; F215-V219 WeakPolarHBondContact O-CG2 3.18Å; F215-V219 PolarHBondContact O-N 2.91Å; F215-L251 HydrophobicContact CE1-CD1 3.73Å; F215-L251 HydrophobicContact CE1-CD2 3.34Å; F215-L251 HydrophobicContact CE1-CG 3.93Å; F215-L251 HydrophobicContact CE2-CD2 4.1Å; F215-L251 HydrophobicContact CE2-CG 4.35Å; F215-L251 HydrophobicContact CZ-CD1 3.41Å; F215-L251 VanDerWaalsContact CZ-CD1 3.41Å; F215-L251 HydrophobicContact CZ-CD2 3.08Å; F215-L251 HydrophobicContact CZ-CG 3.34Å; F215-Y259 HydrophobicContact CE1-CE2 4.31Å |
| 216 | R | 58.1 | Low | 52.8 | Low | 126 Ų | 126 | 58.2 Ų | 58.2 | 48% | 0.475 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 174 | -85.2 | -176.6 | -170.7 | 176.2 | 4.7 | 111.6 | L212 F218 V219 N220 Y259 | L212-R216 WeakPolarHBondContact O-CB 3.36Å; L212-R216 WeakPolarHBondContact O-CG 3.35Å; L212-R216 PolarHBondContact O-N 3.43Å; R216-F218 VanDerWaalsContact C-N 3.27Å; R216-F218 PolarHBondContact O-N 2.91Å; R216-V219 PolarHBondContact O-N 3.5Å; R216-N220 WeakPolarHBondContact O-CA 3.35Å; R216-N220 WeakPolarHBondContact O-CB 3.25Å; R216-N220 PolarHBondContact O-N 3.37Å; R216-N220 PolarHBondContact O-ND2 2.74Å; R216-Y259 HydrophobicContact CG-CE1 3.6Å |
| 217 | A | 58.2 | Low | 51.9 | Low | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K169 S213 V214 F215 N220 D221 | K169-A217 HydrophobicContact CD-CB 3.98Å; K169-A217 VanDerWaalsContact CE-CB 3.5Å; S213-A217 VanDerWaalsContact O-CB 3.29Å; S213-A217 WeakPolarHBondContact O-CB 3.18Å; S213-A217 PolarHBondContact O-N 3.35Å; V214-A217 PolarHBondContact O-N 2.9Å; F215-A217 PolarHBondContact O-N 3.43Å; A217-N220 CarbonylContact O-C 3.55Å; A217-N220 PolarHBondContact O-N 2.84Å; A217-D221 WeakPolarHBondContact O-CA 3.5Å; A217-D221 WeakPolarHBondContact O-CB 3.26Å; A217-D221 PolarHBondContact O-N 3.05Å; A217-D221 VanDerWaalsContact O-OD2 3.06Å |
| 218 | F | 56.6 | Low | 51.4 | Low | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -50.3 | 179.7 | -153.1 | -93.5 | 0 | 0 | 0 | 113.2 | C172 F194 L198 V214 F215 R216 D221 I222 | C172-F218 HydrophobicContact CB-CD2 3.97Å; C172-F218 HydrophobicContact CB-CE2 3.13Å; C172-F218 HydrophobicContact CB-CZ 3.74Å; C172-F218 WeakPolarHBondContact SG-CE2 3.26Å; F194-F218 AromaticContact CD1-CE1 3.45Å; F194-F218 HydrophobicContact CD1-CE1 3.45Å; F194-F218 VanDerWaalsContact CD1-CE1 3.45Å; F194-F218 AromaticContact CD1-CZ 3.4Å; F194-F218 HydrophobicContact CD1-CZ 3.4Å; F194-F218 VanDerWaalsContact CD1-CZ 3.4Å; F194-F218 AromaticContact CE1-CE1 3.47Å; F194-F218 HydrophobicContact CE1-CE1 3.47Å; F194-F218 VanDerWaalsContact CE1-CE1 3.47Å; F194-F218 HydrophobicContact CE1-CE2 4.27Å; F194-F218 AromaticContact CE1-CZ 3.21Å; F194-F218 HydrophobicContact CE1-CZ 3.21Å; L198-F218 HydrophobicContact CD2-CD1 4.5Å; L198-F218 HydrophobicContact CD2-CE1 4.4Å; V214-F218 WeakPolarHBondContact O-CB 3.49Å; V214-F218 PolarHBondContact O-N 3.31Å; F215-F218 VanDerWaalsContact O-CB 3.29Å; F215-F218 WeakPolarHBondContact O-CB 3.42Å; F215-F218 PolarHBondContact O-N 3.02Å; F215-F218 VanDerWaalsContact O-N 3.13Å; R216-F218 VanDerWaalsContact C-N 3.27Å; R216-F218 PolarHBondContact O-N 2.91Å; F218-D221 PolarHBondContact O-N 2.95Å; F218-I222 HydrophobicContact CD1-CD1 3.42Å; F218-I222 VanDerWaalsContact CD1-CD1 3.42Å; F218-I222 HydrophobicContact CD1-CG1 4.35Å; F218-I222 HydrophobicContact CD2-CD1 4.28Å; F218-I222 HydrophobicContact CE1-CD1 3.27Å; F218-I222 HydrophobicContact CE2-CD1 4.21Å; F218-I222 HydrophobicContact CG-CD1 3.96Å; F218-I222 HydrophobicContact CZ-CD1 3.74Å; F218-I222 WeakPolarHBondContact O-CB 3.29Å; F218-I222 WeakPolarHBondContact O-CG1 3.14Å; F218-I222 PolarHBondContact O-N 3.28Å |
| 219 | V | 57 | Low | 50.6 | Low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.8 | 176.2 | 0 | 0 | 0 | 0 | 110 | F215 R216 D221 I223 P224 L251 Y259 | F215-V219 HydrophobicContact CD1-CG2 4.08Å; F215-V219 HydrophobicContact CE1-CG2 3.52Å; F215-V219 HydrophobicContact CZ-CG2 3.75Å; F215-V219 WeakPolarHBondContact O-CG2 3.18Å; F215-V219 PolarHBondContact O-N 2.91Å; R216-V219 PolarHBondContact O-N 3.5Å; V219-D221 VanDerWaalsContact C-N 3.28Å; V219-D221 PolarHBondContact O-N 3.35Å; V219-I223 HydrophobicContact CG1-CD1 3.77Å; V219-I223 WeakPolarHBondContact O-CB 3.43Å; V219-I223 PolarHBondContact O-N 3.5Å; V219-I223 VanDerWaalsContact O-N 3.17Å; V219-P224 WeakPolarHBondContact O-CD 3.3Å; V219-L251 HydrophobicContact CG2-CD1 4.21Å; V219-Y259 HydrophobicContact CG1-CD2 4.12Å; V219-Y259 HydrophobicContact CG1-CG 4.04Å |
| 220 | N | 56.5 | Low | 50 | Low | 60 Ų | 60 | 52.5 Ų | 52.5 | 32% | 0.321 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -72.3 | -14.2 | -179.6 | -65.4 | -11.2 | 0 | 0 | 0 | 114.1 | R216 A217 P224 | R216-N220 WeakPolarHBondContact O-CA 3.35Å; R216-N220 WeakPolarHBondContact O-CB 3.25Å; R216-N220 PolarHBondContact O-N 3.37Å; R216-N220 PolarHBondContact O-ND2 2.74Å; A217-N220 CarbonylContact O-C 3.55Å; A217-N220 PolarHBondContact O-N 2.84Å; N220-P224 WeakPolarHBondContact O-CD 3.11Å; N220-P224 WeakPolarHBondContact O-CG 3.16Å |
| 221 | D | 53.4 | Low | 49.4 | Very low | 44 Ų | 44 | 52.4 Ų | 52.4 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -105.6 | -32 | 178.5 | -68.2 | -34.9 | 0 | 0 | 0 | 112.8 | R173 A217 F218 V219 P224 C225 | R173-D221 IonicContact CZ-OD2 3.71Å; R173-D221 IonicContact NE-OD2 3.45Å; R173-D221 PolarHBondContact NE-OD2 3.2Å; R173-D221 IonicContact NH2-OD1 3.71Å; R173-D221 PolarHBondContact NH2-OD1 2.98Å; R173-D221 VanDerWaalsContact NH2-OD1 3.17Å; R173-D221 IonicContact NH2-OD2 3.66Å; R173-D221 PolarHBondContact NH2-OD2 3.1Å; A217-D221 WeakPolarHBondContact O-CA 3.5Å; A217-D221 WeakPolarHBondContact O-CB 3.26Å; A217-D221 PolarHBondContact O-N 3.05Å; A217-D221 VanDerWaalsContact O-OD2 3.06Å; F218-D221 PolarHBondContact O-N 2.95Å; V219-D221 VanDerWaalsContact C-N 3.28Å; V219-D221 PolarHBondContact O-N 3.35Å; D221-P224 CarbonylContact O-C 3.58Å; D221-C225 PolarHBondContact O-N 3.5Å |
| 222 | I | 50.2 | Low | 49 | Very low | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -85.2 | -41 | -178.4 | -68.5 | -177.1 | 0 | 0 | 0 | 111.7 | Y176 F194 F218 S240 C243 | Y176-I222 HydrophobicContact CD2-CB 4.49Å; Y176-I222 HydrophobicContact CD2-CG1 4.48Å; Y176-I222 HydrophobicContact CD2-CG2 3.55Å; Y176-I222 HydrophobicContact CE2-CG2 3.64Å; Y176-I222 HydrophobicContact CG-CG1 4.37Å; Y176-I222 HydrophobicContact CG-CG2 4.25Å; F194-I222 HydrophobicContact CD1-CD1 4.36Å; F194-I222 HydrophobicContact CE1-CD1 3.49Å; F194-I222 VanDerWaalsContact CE1-CD1 3.49Å; F194-I222 HydrophobicContact CZ-CD1 3.93Å; F218-I222 HydrophobicContact CD1-CD1 3.42Å; F218-I222 VanDerWaalsContact CD1-CD1 3.42Å; F218-I222 HydrophobicContact CD1-CG1 4.35Å; F218-I222 HydrophobicContact CD2-CD1 4.28Å; F218-I222 HydrophobicContact CE1-CD1 3.27Å; F218-I222 HydrophobicContact CE2-CD1 4.21Å; F218-I222 HydrophobicContact CG-CD1 3.96Å; F218-I222 HydrophobicContact CZ-CD1 3.74Å; F218-I222 WeakPolarHBondContact O-CB 3.29Å; F218-I222 WeakPolarHBondContact O-CG1 3.14Å; F218-I222 PolarHBondContact O-N 3.28Å; I222-S240 PolarHBondContact O-OG 3.4Å; I222-C243 HydrophobicContact CG2-CB 4.28Å |
| 223 | I | 53 | Low | 48.8 | Very low | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -39.8 | 178.5 | -58.8 | 178.3 | 0 | 0 | 0 | 110 | V219 F234 L236 L244 V247 L263 | V219-I223 HydrophobicContact CG1-CD1 3.77Å; V219-I223 WeakPolarHBondContact O-CB 3.43Å; V219-I223 PolarHBondContact O-N 3.5Å; V219-I223 VanDerWaalsContact O-N 3.17Å; I223-F234 WeakPolarHBondContact O-CE2 3.46Å; I223-L236 HydrophobicContact CG2-CD2 4.04Å; I223-L236 WeakPolarHBondContact O-CD2 3.28Å; I223-L244 HydrophobicContact CD1-CD2 3.78Å; I223-L244 HydrophobicContact CG1-CD2 4.04Å; I223-L244 HydrophobicContact CG1-CG 4.33Å; I223-L244 HydrophobicContact CG2-CD2 4.43Å; I223-V247 HydrophobicContact CD1-CG1 4.38Å; I223-L263 HydrophobicContact CG2-CD1 4.15Å |
| 224 | P | 46.3 | Very low | 48.8 | Very low | 22 Ų | 22 | 52.4 Ų | 52.4 | 14% | 0.143 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 83 | 171.3 | 19.7 | 4.8 | 0 | 0 | 0 | 110.8 | V219 N220 D221 H226 F234 | V219-P224 WeakPolarHBondContact O-CD 3.3Å; N220-P224 WeakPolarHBondContact O-CD 3.11Å; N220-P224 WeakPolarHBondContact O-CG 3.16Å; D221-P224 CarbonylContact O-C 3.58Å; P224-H226 PolarHBondContact O-N 2.99Å; P224-F234 HydrophobicContact CB-CE1 4.39Å; P224-F234 HydrophobicContact CB-CE2 4.29Å; P224-F234 HydrophobicContact CB-CZ 3.88Å |
| 225 | C | 41.5 | Very low | 48.8 | Very low | 64 Ų | 64 | 56.3 Ų | 56.3 | 43% | 0.432 | 30% | 0.298 | S | S | . | . | trans | -75.2 | 79.1 | 157.5 | -129.8 | 0 | 0 | 0 | 0 | 107.8 | Y176 D221 | Y176-C225 HydrophobicContact CE1-CB 4.33Å; D221-C225 PolarHBondContact O-N 3.5Å | ||
| 226 | H | 38.8 | Very low | 48.9 | Very low | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.616 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -175.1 | 129.3 | 147.4 | -86.9 | -51.1 | 0 | 0 | 0 | 108.1 | P224 V228 | P224-H226 PolarHBondContact O-N 2.99Å; H226-V228 PolarHBondContact O-N 3.28Å |
| 227 | S | 33.2 | Very low | 49.2 | Very low | 112 Ų | 112 | 52.2 Ų | 52.2 | 78% | 0.783 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -63.7 | 34.5 | -166.9 | 47.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 228 | V | 35.4 | Very low | 49.4 | Very low | 79 Ų | 79 | 55.7 Ų | 55.7 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -129.3 | 103.4 | -176.5 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | H226 | H226-V228 PolarHBondContact O-N 3.28Š|
| 229 | N | 35.2 | Very low | 50 | Low | 125 Ų | 125 | 56.9 Ų | 56.9 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | trans | 15.9 | 113.9 | 166.9 | -83.2 | -11.9 | 0 | 0 | 0 | 117.1 | T231 | N229-T231 PolarHBondContact O-N 3.47Š| ||
| 230 | V | 36.8 | Very low | 50.5 | Low | 55 Ų | 55 | 56.8 Ų | 56.8 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -52.1 | 6.7 | 175.7 | -167.5 | 0 | 0 | 0 | 0 | 115.1 | R232 | V230-R232 PolarHBondContact O-N 3.35Š|
| 231 | T | 42.3 | Very low | 51.1 | Low | 89 Ų | 89 | 53.9 Ų | 53.9 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -90.9 | 14.4 | -175.4 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | N229 F262 | N229-T231 PolarHBondContact O-N 3.47Å; T231-F262 VanDerWaalsContact O-CE2 3.28Å; T231-F262 WeakPolarHBondContact O-CE2 3.05Å |
| 232 | R | 48.3 | Very low | 51.9 | Low | 72 Ų | 72 | 52.5 Ų | 52.5 | 27% | 0.272 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -144.7 | 154.2 | -164.3 | -60.8 | 178.6 | 175.6 | -165 | 1 | 113.6 | V230 F234 S324 | V230-R232 PolarHBondContact O-N 3.35Å; R232-F234 VanDerWaalsContact O-CD1 3.24Å; R232-F234 WeakPolarHBondContact O-CD1 3.37Å; R232-S324 WeakPolarHBondContact CD-O 3.23Å; R232-S324 WeakPolarHBondContact CD-OG 3.32Å; R232-S324 WeakPolarHBondContact CG-OG 3.48Å; R232-S324 PolarHBondContact NE-OG 3.48Å; R232-S324 PolarHBondContact NH1-O 3.17Å |
| 233 | H | 51 | Low | 52.9 | Low | 21 Ų | 21 | 52.2 Ų | 52.2 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | trans | -71.8 | 121.2 | 177.9 | -53 | -92.3 | 0 | 0 | 0 | 111.1 | F262 W265 C321 P322 | H233-F262 AromaticContact CE1-CD1 3.34Å; H233-F262 WeakPolarHBondContact CE1-CD1 3.39Å; H233-F262 AromaticContact CE1-CE1 3.66Å; H233-F262 AromaticContact ND1-CD1 3.69Å; H233-F262 AromaticContact NE2-CD1 3.57Å; H233-F262 AromaticContact NE2-CE1 3.49Å; H233-F262 WeakPolarHBondContact NE2-CE1 3.41Å; H233-W265 AromaticContact CE1-CD1 3.51Å; H233-W265 AromaticContact CE1-CD2 3.37Å; H233-W265 AromaticContact CE1-CE2 3.59Å; H233-W265 AromaticContact CE1-CE3 3.97Å; H233-W265 AromaticContact CE1-CG 3.37Å; H233-W265 AromaticContact CE1-NE1 3.58Å; H233-W265 WeakPolarHBondContact ND1-CB 3.43Å; H233-W265 AromaticContact ND1-CD1 3.57Å; H233-W265 AromaticContact ND1-CD2 3.33Å; H233-W265 VanDerWaalsContact ND1-CD2 3.33Å; H233-W265 AromaticContact ND1-CE3 3.79Å; H233-W265 AromaticContact ND1-CG 3.04Å; H233-C321 VanDerWaalsContact CB-SG 3.51Å; H233-P322 WeakPolarHBondContact CD2-CD 3.31Å; H233-P322 VanDerWaalsContact CD2-CG 3.44Å; H233-P322 WeakPolarHBondContact CD2-CG 3.32Å; H233-P322 WeakPolarHBondContact NE2-CD 3.34Å; H233-P322 WeakPolarHBondContact NE2-CG 3.1Å | ||
| 234 | F | 57 | Low | 53.8 | Low | 46 Ų | 46 | 52.1 Ų | 52.1 | 20% | 0.202 | 28% | 0.282 | C | S | . | . | trans | -133.7 | 152.5 | 178.4 | 60.4 | -88.9 | 0 | 0 | 0 | 112.5 | I223 P224 R232 L236 S266 | I223-F234 WeakPolarHBondContact O-CE2 3.46Å; P224-F234 HydrophobicContact CB-CE1 4.39Å; P224-F234 HydrophobicContact CB-CE2 4.29Å; P224-F234 HydrophobicContact CB-CZ 3.88Å; R232-F234 VanDerWaalsContact O-CD1 3.24Å; R232-F234 WeakPolarHBondContact O-CD1 3.37Å; F234-L236 HydrophobicContact CD2-CD2 4.43Å; F234-L236 HydrophobicContact CD2-CG 4.5Å; F234-L236 HydrophobicContact CE2-CD2 3.6Å; F234-L236 HydrophobicContact CE2-CG 4.04Å; F234-L236 HydrophobicContact CZ-CD2 4.34Å; F234-L236 PolarHBondContact O-N 3.32Å; F234-S266 WeakPolarHBondContact O-CA 3.49Å; F234-S266 WeakPolarHBondContact O-CB 3.49Å; F234-S266 PolarHBondContact O-OG 3.03Å | ||
| 235 | K | 57.4 | Low | 54.8 | Low | 82 Ų | 82 | 53.1 Ų | 53.1 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 119.2 | 171.6 | 178.8 | -178.6 | 176.2 | 175.6 | 0 | 108.4 | Y273 | K235-Y273 HydrophobicContact CD-CD2 3.87Å; K235-Y273 HydrophobicContact CD-CE2 3.75Å; K235-Y273 HydrophobicContact CD-CG 4.49Å; K235-Y273 VanDerWaalsContact NZ-CG 3.26Å |
| 236 | L | 60.9 | Low | 56 | Low | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 129.7 | 173.1 | -75.2 | 156.3 | 0 | 0 | 0 | 110.1 | I223 F234 I241 L244 L263 L267 | I223-L236 HydrophobicContact CG2-CD2 4.04Å; I223-L236 WeakPolarHBondContact O-CD2 3.28Å; F234-L236 HydrophobicContact CD2-CD2 4.43Å; F234-L236 HydrophobicContact CD2-CG 4.5Å; F234-L236 HydrophobicContact CE2-CD2 3.6Å; F234-L236 HydrophobicContact CE2-CG 4.04Å; F234-L236 HydrophobicContact CZ-CD2 4.34Å; F234-L236 PolarHBondContact O-N 3.32Å; L236-I241 HydrophobicContact CB-CD1 4.2Å; L236-I241 HydrophobicContact CB-CG1 3.71Å; L236-I241 HydrophobicContact CD1-CG1 4.44Å; L236-L244 HydrophobicContact CD1-CD1 3.54Å; L236-L244 HydrophobicContact CD2-CD1 3.9Å; L236-L244 HydrophobicContact CG-CD1 4.32Å; L236-L263 HydrophobicContact CD1-CD1 4.19Å; L236-L267 HydrophobicContact CD1-CD2 4.17Å; L236-L267 HydrophobicContact CD1-CG 4.3Å |
| 237 | P | 64.4 | Low | 57.3 | Low | 51 Ų | 51 | 44.1 Ų | 44.1 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 155 | 168.8 | 3.3 | -3.6 | 0 | 0 | 0 | 111 | N239 S240 I241 | P237-N239 PolarHBondContact O-N 3.48Å; P237-S240 WeakPolarHBondContact CD-OG 3.33Å; P237-S240 WeakPolarHBondContact CG-OG 3.4Å; P237-S240 WeakPolarHBondContact O-CB 3.31Å; P237-S240 PolarHBondContact O-N 2.93Å; P237-I241 PolarHBondContact O-N 2.78Å |
| 238 | K | 62.4 | Low | 58.9 | Low | 89 Ų | 89 | 38.8 Ų | 38.8 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -48.7 | -49.8 | 178.5 | -179 | -178.2 | 178.8 | -157.5 | 0 | 111 | G180 S240 I241 H242 T276 | G180-K238 PolarHBondContact O-NZ 3.24Å; K238-S240 VanDerWaalsContact C-N 3.31Å; K238-S240 PolarHBondContact O-N 3.5Å; K238-I241 PolarHBondContact O-N 3.46Å; K238-I241 VanDerWaalsContact O-N 3.11Å; K238-H242 PolarHBondContact O-CD2 3.21Å; K238-H242 VanDerWaalsContact O-CD2 3.25Å; K238-H242 PolarHBondContact O-N 3.39Å; K238-T276 HydrophobicContact CB-CG2 4.14Å; K238-T276 HydrophobicContact CG-CG2 3.76Å |
| 239 | N | 68 | Low | 60.3 | Low | 35 Ų | 35 | 41.6 Ų | 41.6 | 19% | 0.187 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.7 | -43.6 | 178.1 | -62.4 | 27 | 0 | 0 | 0 | 112.7 | Y176 L177 A179 G180 P237 I241 H242 C243 | Y176-N239 HydrophobicContact CE1-CB 4.44Å; Y176-N239 HydrophobicContact CE2-CB 3.85Å; Y176-N239 PolarHBondContact O-ND2 3.35Å; L177-N239 PolarHBondContact O-ND2 2.91Å; A179-N239 HydrophobicContact CB-CB 4.02Å; G180-N239 WeakPolarHBondContact CA-OD1 3.33Å; G180-N239 PolarHBondContact N-OD1 2.74Å; P237-N239 PolarHBondContact O-N 3.48Å; N239-I241 PolarHBondContact O-N 2.84Å; N239-H242 PolarHBondContact O-N 2.99Å; N239-C243 PolarHBondContact O-N 3.13Å |
| 240 | S | 68.6 | Low | 61.7 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | Y176 I222 P237 K238 H242 C243 L244 | Y176-S240 WeakPolarHBondContact OH-CA 3.39Å; Y176-S240 PolarHBondContact OH-N 3.45Å; Y176-S240 PolarHBondContact OH-OG 3.3Å; I222-S240 PolarHBondContact O-OG 3.4Å; P237-S240 WeakPolarHBondContact CD-OG 3.33Å; P237-S240 WeakPolarHBondContact CG-OG 3.4Å; P237-S240 WeakPolarHBondContact O-CB 3.31Å; P237-S240 PolarHBondContact O-N 2.93Å; K238-S240 VanDerWaalsContact C-N 3.31Å; K238-S240 PolarHBondContact O-N 3.5Å; S240-H242 PolarHBondContact O-N 3.24Å; S240-C243 PolarHBondContact O-N 2.98Å; S240-L244 VanDerWaalsContact O-CB 3.25Å; S240-L244 WeakPolarHBondContact O-CB 3.47Å; S240-L244 WeakPolarHBondContact O-CD1 3.4Å; S240-L244 WeakPolarHBondContact O-CG 3.27Å; S240-L244 PolarHBondContact O-N 2.84Å |
| 241 | I | 69.1 | Low | 62.8 | Low | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | -178.7 | -61.7 | 176 | 0 | 0 | 0 | 110.4 | L236 P237 K238 N239 L244 T276 V279 A280 I283 | L236-I241 HydrophobicContact CB-CD1 4.2Å; L236-I241 HydrophobicContact CB-CG1 3.71Å; L236-I241 HydrophobicContact CD1-CG1 4.44Å; P237-I241 PolarHBondContact O-N 2.78Å; K238-I241 PolarHBondContact O-N 3.46Å; K238-I241 VanDerWaalsContact O-N 3.11Å; N239-I241 PolarHBondContact O-N 2.84Å; I241-L244 PolarHBondContact O-N 3.48Å; I241-T276 HydrophobicContact CD1-CG2 4.13Å; I241-V279 HydrophobicContact CG2-CB 4.02Å; I241-V279 HydrophobicContact CG2-CG1 3.84Å; I241-A280 HydrophobicContact CG2-CB 4.21Å; I241-I283 HydrophobicContact CG2-CD1 4.05Å; I241-I283 VanDerWaalsContact O-CD1 3.27Å; I241-I283 WeakPolarHBondContact O-CD1 3.46Å |
| 242 | H | 70.1 | Confident | 63.7 | Low | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.069 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.4 | -39.3 | 178 | -74.3 | -92.4 | 0 | 0 | 0 | 112.5 | E187 K238 N239 S240 | E187-H242 IonicContact OE1-CE1 3.73Å; E187-H242 PolarHBondContact OE1-CE1 3.27Å; E187-H242 IonicContact OE1-CG 2.71Å; E187-H242 IonicContact OE1-ND1 3.83Å; E187-H242 PolarHBondContact OE1-ND1 2.73Å; K238-H242 PolarHBondContact O-CD2 3.21Å; K238-H242 VanDerWaalsContact O-CD2 3.25Å; K238-H242 PolarHBondContact O-N 3.39Å; N239-H242 PolarHBondContact O-N 2.99Å; S240-H242 PolarHBondContact O-N 3.24Å |
| 243 | C | 70.6 | Confident | 64.3 | Low | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.6 | -32.4 | 176.2 | -81.2 | 0 | 0 | 0 | 0 | 113.6 | Y176 A179 F194 I222 N239 S240 L245 S246 V247 | Y176-C243 HydrophobicContact CD2-CB 4.26Å; Y176-C243 HydrophobicContact CE2-CB 4.26Å; A179-C243 WeakPolarHBondContact CB-SG 3.49Å; F194-C243 VanDerWaalsContact CD2-SG 3.56Å; F194-C243 WeakPolarHBondContact CE2-SG 3.21Å; I222-C243 HydrophobicContact CG2-CB 4.28Å; N239-C243 PolarHBondContact O-N 3.13Å; S240-C243 PolarHBondContact O-N 2.98Å; C243-L245 PolarHBondContact O-N 3.46Å; C243-S246 WeakPolarHBondContact O-CB 3.31Å; C243-S246 PolarHBondContact O-N 3.43Å; C243-V247 PolarHBondContact O-N 3.35Å; C243-V247 VanDerWaalsContact O-N 3.15Å |
| 244 | L | 71.6 | Confident | 64.9 | Low | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.9 | -35.3 | -179.8 | -99.4 | 158.7 | 0 | 0 | 0 | 112.3 | I223 L236 S240 I241 S246 V247 V248 L263 L267 I283 | I223-L244 HydrophobicContact CD1-CD2 3.78Å; I223-L244 HydrophobicContact CG1-CD2 4.04Å; I223-L244 HydrophobicContact CG1-CG 4.33Å; I223-L244 HydrophobicContact CG2-CD2 4.43Å; L236-L244 HydrophobicContact CD1-CD1 3.54Å; L236-L244 HydrophobicContact CD2-CD1 3.9Å; L236-L244 HydrophobicContact CG-CD1 4.32Å; S240-L244 VanDerWaalsContact O-CB 3.25Å; S240-L244 WeakPolarHBondContact O-CB 3.47Å; S240-L244 WeakPolarHBondContact O-CD1 3.4Å; S240-L244 WeakPolarHBondContact O-CG 3.27Å; S240-L244 PolarHBondContact O-N 2.84Å; I241-L244 PolarHBondContact O-N 3.48Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.11Å; L244-V247 PolarHBondContact O-N 3.44Å; L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.28Å; L244-V248 PolarHBondContact O-N 3.04Å; L244-L263 HydrophobicContact CD1-CD1 3.95Å; L244-L263 HydrophobicContact CD2-CD1 3.78Å; L244-L263 HydrophobicContact CD2-CD2 4.21Å; L244-L267 HydrophobicContact CD1-CD2 4.41Å; L244-I283 HydrophobicContact CB-CD1 3.8Å |
| 245 | L | 67 | Low | 65.1 | Low | 43 Ų | 43 | 30.5 Ų | 30.5 | 23% | 0.225 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 176.4 | -169.1 | 74.9 | 0 | 0 | 0 | 111.9 | C243 K249 I283 | C243-L245 PolarHBondContact O-N 3.46Å; L245-K249 WeakPolarHBondContact O-CB 3.36Å; L245-K249 WeakPolarHBondContact O-CG 3.5Å; L245-K249 PolarHBondContact O-N 3.42Å; L245-K249 VanDerWaalsContact O-N 3.09Å; L245-I283 HydrophobicContact CB-CD1 4.41Å; L245-I283 HydrophobicContact CB-CG1 4.15Å; L245-I283 HydrophobicContact CD1-CG1 3.75Å |
| 246 | S | 67.9 | Low | 65.5 | Low | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 175.1 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | Q191 C243 L244 C250 | Q191-S246 PolarHBondContact O-OG 3.47Å; C243-S246 WeakPolarHBondContact O-CB 3.31Å; C243-S246 PolarHBondContact O-N 3.43Å; L244-S246 VanDerWaalsContact C-N 3.3Å; L244-S246 PolarHBondContact O-N 3.11Å; S246-C250 PolarHBondContact O-N 2.89Å |
| 247 | V | 66.8 | Low | 65.6 | Low | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 177 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | L198 I223 C243 L244 K249 C250 L251 | L198-V247 HydrophobicContact CD1-CB 4.3Å; L198-V247 HydrophobicContact CD1-CG2 3.94Å; I223-V247 HydrophobicContact CD1-CG1 4.38Å; C243-V247 PolarHBondContact O-N 3.35Å; C243-V247 VanDerWaalsContact O-N 3.15Å; L244-V247 PolarHBondContact O-N 3.44Å; V247-K249 PolarHBondContact O-N 3.32Å; V247-C250 PolarHBondContact O-N 3.25Å; V247-L251 HydrophobicContact CG1-CD1 3.73Å; V247-L251 PolarHBondContact O-N 3.27Å |
| 248 | V | 65 | Low | 65.6 | Low | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 179.3 | 157.2 | 0 | 0 | 0 | 0 | 112 | L244 C250 G252 L253 I283 | L244-V248 WeakPolarHBondContact O-CB 3.4Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.28Å; L244-V248 PolarHBondContact O-N 3.04Å; V248-C250 VanDerWaalsContact C-N 3.26Å; V248-C250 PolarHBondContact O-N 3.2Å; V248-G252 PolarHBondContact O-N 2.96Å; V248-L253 HydrophobicContact CB-CD1 4.07Å; V248-L253 HydrophobicContact CG1-CD1 3.42Å; V248-L253 VanDerWaalsContact CG1-CD1 3.42Å; V248-L253 HydrophobicContact CG2-CD1 3.6Å; V248-L253 HydrophobicContact CG2-CG 4.5Å; V248-I283 HydrophobicContact CG2-CG2 4.17Å |
| 249 | K | 65.6 | Low | 65.5 | Low | 137 Ų | 137 | 27 Ų | 27 | 60% | 0.596 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -62.9 | -31.4 | 178.7 | -82.2 | -179.1 | 176.2 | -177.8 | 0 | 113.4 | L195 L245 V247 | L195-K249 HydrophobicContact CD2-CB 3.87Å; L195-K249 HydrophobicContact CD2-CD 4.14Å; L245-K249 WeakPolarHBondContact O-CB 3.36Å; L245-K249 WeakPolarHBondContact O-CG 3.5Å; L245-K249 PolarHBondContact O-N 3.42Å; L245-K249 VanDerWaalsContact O-N 3.09Å; V247-K249 PolarHBondContact O-N 3.32Å |
| 250 | C | 64.2 | Low | 65.3 | Low | 30 Ų | 30 | 25.5 Ų | 25.5 | 20% | 0.203 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -88.4 | -62.7 | -177.4 | -74.1 | 0 | 0 | 0 | 0 | 112.2 | L195 L198 L202 S246 V247 V248 G252 | L195-C250 PolarHBondContact O-SG 2.93Å; L195-C250 VanDerWaalsContact O-SG 3.37Å; L198-C250 HydrophobicContact CB-CB 3.53Å; L198-C250 HydrophobicContact CD1-CB 4.24Å; L202-C250 HydrophobicContact CD1-CB 3.64Å; L202-C250 WeakPolarHBondContact CD1-O 3.41Å; S246-C250 PolarHBondContact O-N 2.89Å; V247-C250 PolarHBondContact O-N 3.25Å; V248-C250 VanDerWaalsContact C-N 3.26Å; V248-C250 PolarHBondContact O-N 3.2Å; C250-G252 PolarHBondContact O-N 3.31Å |
| 251 | L | 60.3 | Low | 65.1 | Low | 17 Ų | 17 | 27.3 Ų | 27.3 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -27.9 | -172.7 | -89.6 | 170 | 0 | 0 | 0 | 114.3 | L202 F215 V219 V247 E255 | L202-L251 HydrophobicContact CD2-CD2 4Å; F215-L251 HydrophobicContact CE1-CD1 3.73Å; F215-L251 HydrophobicContact CE1-CD2 3.34Å; F215-L251 HydrophobicContact CE1-CG 3.93Å; F215-L251 HydrophobicContact CE2-CD2 4.1Å; F215-L251 HydrophobicContact CE2-CG 4.35Å; F215-L251 HydrophobicContact CZ-CD1 3.41Å; F215-L251 VanDerWaalsContact CZ-CD1 3.41Å; F215-L251 HydrophobicContact CZ-CD2 3.08Å; F215-L251 HydrophobicContact CZ-CG 3.34Å; V219-L251 HydrophobicContact CG2-CD1 4.21Å; V247-L251 HydrophobicContact CG1-CD1 3.73Å; V247-L251 PolarHBondContact O-N 3.27Å; L251-E255 HydrophobicContact CD2-CB 4.24Å; L251-E255 WeakPolarHBondContact CD2-OE2 3.42Å |
| 252 | G | 60.4 | Low | 65.1 | Low | 21 Ų | 21 | 29.3 Ų | 29.3 | 22% | 0.216 | 15% | 0.152 | C | C | . | . | trans | 74.4 | 148.7 | -153.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V248 C250 V254 | V248-G252 PolarHBondContact O-N 2.96Å; C250-G252 PolarHBondContact O-N 3.31Å; G252-V254 VanDerWaalsContact C-N 3.35Å; G252-V254 PolarHBondContact O-N 3.35Å | ||
| 253 | L | 61.7 | Low | 65.3 | Low | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -79.6 | -21.9 | -163.7 | -153.1 | 118.4 | 0 | 0 | 0 | 113.6 | V248 E255 A256 L257 I287 Q290 I294 | V248-L253 HydrophobicContact CB-CD1 4.07Å; V248-L253 HydrophobicContact CG1-CD1 3.42Å; V248-L253 VanDerWaalsContact CG1-CD1 3.42Å; V248-L253 HydrophobicContact CG2-CD1 3.6Å; V248-L253 HydrophobicContact CG2-CG 4.5Å; L253-E255 VanDerWaalsContact C-N 3.33Å; L253-E255 PolarHBondContact O-N 3.29Å; L253-A256 PolarHBondContact O-N 3.02Å; L253-L257 HydrophobicContact CD2-CD1 3.49Å; L253-L257 VanDerWaalsContact CD2-CD1 3.49Å; L253-L257 HydrophobicContact CD2-CG 3.88Å; L253-L257 WeakPolarHBondContact O-CG 3.37Å; L253-L257 PolarHBondContact O-N 2.85Å; L253-I287 HydrophobicContact CD1-CB 4.16Å; L253-I287 HydrophobicContact CD1-CD1 4.41Å; L253-I287 HydrophobicContact CD1-CG1 3.4Å; L253-I287 VanDerWaalsContact CD1-CG1 3.4Å; L253-I287 HydrophobicContact CD2-CB 3.71Å; L253-I287 HydrophobicContact CD2-CD1 4.16Å; L253-I287 HydrophobicContact CD2-CG1 3.45Å; L253-I287 VanDerWaalsContact CD2-CG1 3.45Å; L253-I287 HydrophobicContact CD2-CG2 3.48Å; L253-I287 VanDerWaalsContact CD2-CG2 3.48Å; L253-I287 HydrophobicContact CG-CB 4.5Å; L253-I287 HydrophobicContact CG-CG1 3.93Å; L253-Q290 HydrophobicContact CB-CB 4.4Å; L253-Q290 VanDerWaalsContact CB-OE1 3.25Å; L253-I294 HydrophobicContact CB-CD1 4.39Å; L253-I294 HydrophobicContact CD2-CD1 3.57Å |
| 254 | V | 62.7 | Low | 65.7 | Low | 19 Ų | 19 | 28.6 Ų | 28.6 | 12% | 0.115 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.3 | -45.8 | 177 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | G252 N258 T293 I294 N297 | G252-V254 VanDerWaalsContact C-N 3.35Å; G252-V254 PolarHBondContact O-N 3.35Å; V254-N258 VanDerWaalsContact O-CG 3.23Å; V254-N258 PolarHBondContact O-N 3.32Å; V254-N258 PolarHBondContact O-ND2 3.23Å; V254-T293 HydrophobicContact CG2-CG2 4.15Å; V254-I294 HydrophobicContact CB-CG1 4.44Å; V254-I294 HydrophobicContact CG2-CB 4.35Å; V254-I294 HydrophobicContact CG2-CG1 3.62Å; V254-N297 HydrophobicContact CG1-CB 4.12Å |
| 255 | E | 62.8 | Low | 65.9 | Low | 89 Ų | 89 | 29 Ų | 29 | 42% | 0.416 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69.4 | -41.3 | 179.2 | -94.7 | 171.7 | 152.4 | 0 | 0 | 111.8 | L251 L253 L257 N258 Y259 | L251-E255 HydrophobicContact CD2-CB 4.24Å; L251-E255 WeakPolarHBondContact CD2-OE2 3.42Å; L253-E255 VanDerWaalsContact C-N 3.33Å; L253-E255 PolarHBondContact O-N 3.29Å; E255-L257 VanDerWaalsContact C-N 3.32Å; E255-L257 PolarHBondContact O-N 3.2Å; E255-N258 WeakPolarHBondContact O-CB 3.38Å; E255-N258 PolarHBondContact O-N 2.96Å; E255-N258 VanDerWaalsContact O-N 3.14Å; E255-Y259 WeakPolarHBondContact O-CD2 3.43Å; E255-Y259 PolarHBondContact O-N 3.37Å |
| 256 | A | 64.1 | Low | 66.3 | Low | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L253 Y259 D260 L263 | L253-A256 PolarHBondContact O-N 3.02Å; A256-Y259 PolarHBondContact O-N 2.93Å; A256-D260 PolarHBondContact O-N 3.48Å; A256-L263 HydrophobicContact CB-CD2 4.28Å |
| 257 | L | 64.8 | Low | 66.6 | Low | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.5 | -30.1 | 175.6 | -72.9 | 171.3 | 0 | 0 | 0 | 113.5 | L253 E255 Y259 D260 S261 L263 I294 V301 V306 | L253-L257 HydrophobicContact CD2-CD1 3.49Å; L253-L257 VanDerWaalsContact CD2-CD1 3.49Å; L253-L257 HydrophobicContact CD2-CG 3.88Å; L253-L257 WeakPolarHBondContact O-CG 3.37Å; L253-L257 PolarHBondContact O-N 2.85Å; E255-L257 VanDerWaalsContact C-N 3.32Å; E255-L257 PolarHBondContact O-N 3.2Å; L257-Y259 VanDerWaalsContact C-N 3.26Å; L257-D260 CarbonylContact O-C 3.58Å; L257-D260 VanDerWaalsContact O-C 3.3Å; L257-S261 PolarHBondContact O-N 3.26Å; L257-L263 HydrophobicContact CD2-CB 4.24Å; L257-I294 HydrophobicContact CD1-CD1 3.74Å; L257-I294 HydrophobicContact CD1-CG1 4.31Å; L257-I294 HydrophobicContact CD1-CG2 4.04Å; L257-V301 HydrophobicContact CB-CG1 4.01Å; L257-V306 HydrophobicContact CD1-CG2 3.42Å; L257-V306 VanDerWaalsContact CD1-CG2 3.42Å; L257-V306 HydrophobicContact CD2-CG2 4.09Å; L257-V306 HydrophobicContact CG-CG2 4.41Å |
| 258 | N | 63.7 | Low | 67.1 | Low | 93 Ų | 93 | 26.6 Ų | 26.6 | 50% | 0.497 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.4 | -28.7 | 172 | -74.3 | -17.9 | 0 | 0 | 0 | 111.7 | V254 E255 | V254-N258 VanDerWaalsContact O-CG 3.23Å; V254-N258 PolarHBondContact O-N 3.32Å; V254-N258 PolarHBondContact O-ND2 3.23Å; E255-N258 WeakPolarHBondContact O-CB 3.38Å; E255-N258 PolarHBondContact O-N 2.96Å; E255-N258 VanDerWaalsContact O-N 3.14Å |
| 259 | Y | 60.3 | Low | 67.5 | Low | 55 Ų | 55 | 26.7 Ų | 26.7 | 22% | 0.216 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -80.1 | -41.1 | 174.9 | -77.8 | -64.3 | 0 | 0 | 0 | 113 | F215 R216 V219 E255 A256 L257 | F215-Y259 HydrophobicContact CE1-CE2 4.31Å; R216-Y259 HydrophobicContact CG-CE1 3.6Å; V219-Y259 HydrophobicContact CG1-CD2 4.12Å; V219-Y259 HydrophobicContact CG1-CG 4.04Å; E255-Y259 WeakPolarHBondContact O-CD2 3.43Å; E255-Y259 PolarHBondContact O-N 3.37Å; A256-Y259 PolarHBondContact O-N 2.93Å; L257-Y259 VanDerWaalsContact C-N 3.26Å |
| 260 | D | 63.8 | Low | 67.6 | Low | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | trans | -129.9 | 96.7 | 176.8 | -175.9 | 0.5 | 0 | 0 | 0 | 110.5 | A256 L257 F262 L263 | A256-D260 PolarHBondContact O-N 3.48Å; L257-D260 CarbonylContact O-C 3.58Å; L257-D260 VanDerWaalsContact O-C 3.3Å; D260-F262 PolarHBondContact O-N 2.67Å; D260-F262 WeakPolarHBondContact OD1-CA 3.19Å; D260-F262 WeakPolarHBondContact OD1-CB 2.9Å; D260-F262 PolarHBondContact OD1-N 2.77Å; D260-L263 HydrophobicContact CB-CB 4.2Å; D260-L263 WeakPolarHBondContact O-CB 3.45Å; D260-L263 PolarHBondContact O-N 2.88Å; D260-L263 PolarHBondContact OD1-N 2.91Å | ||
| 261 | S | 64.7 | Low | 67.8 | Low | 39 Ų | 39 | 18.9 Ų | 18.9 | 27% | 0.273 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.8 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | L257 N305 | L257-S261 PolarHBondContact O-N 3.26Å; S261-N305 WeakPolarHBondContact CB-ND2 3.28Å; S261-N305 WeakPolarHBondContact O-CB 3.2Å; S261-N305 PolarHBondContact O-OD1 3.48Å |
| 262 | F | 69.9 | Low | 68 | Low | 41 Ų | 41 | 18.8 Ų | 18.8 | 18% | 0.18 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 3.8 | -178.4 | -60 | -78.6 | 0 | 0 | 0 | 113.5 | T231 H233 D260 M264 W265 S266 | T231-F262 VanDerWaalsContact O-CE2 3.28Å; T231-F262 WeakPolarHBondContact O-CE2 3.05Å; H233-F262 AromaticContact CE1-CD1 3.34Å; H233-F262 WeakPolarHBondContact CE1-CD1 3.39Å; H233-F262 AromaticContact CE1-CE1 3.66Å; H233-F262 AromaticContact ND1-CD1 3.69Å; H233-F262 AromaticContact NE2-CD1 3.57Å; H233-F262 AromaticContact NE2-CE1 3.49Å; H233-F262 WeakPolarHBondContact NE2-CE1 3.41Å; D260-F262 PolarHBondContact O-N 2.67Å; D260-F262 WeakPolarHBondContact OD1-CA 3.19Å; D260-F262 WeakPolarHBondContact OD1-CB 2.9Å; D260-F262 PolarHBondContact OD1-N 2.77Å; F262-M264 VanDerWaalsContact C-N 3.27Å; F262-M264 PolarHBondContact O-N 2.85Å; F262-M264 VanDerWaalsContact O-N 3.16Å; F262-W265 AromaticContact CD1-CD1 3.94Å; F262-W265 VanDerWaalsContact O-CB 3.28Å; F262-W265 WeakPolarHBondContact O-CB 3.46Å; F262-W265 PolarHBondContact O-N 2.9Å; F262-S266 PolarHBondContact O-N 3.24Å; F262-S266 VanDerWaalsContact O-N 3.08Å; F262-S266 PolarHBondContact O-OG 3.44Å |
| 263 | L | 73.7 | Confident | 68 | Low | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -53.9 | -40.8 | -176.3 | 179.6 | 61.8 | 0 | 0 | 0 | 113.3 | I223 L236 L244 A256 L257 D260 S266 L267 | I223-L263 HydrophobicContact CG2-CD1 4.15Å; L236-L263 HydrophobicContact CD1-CD1 4.19Å; L244-L263 HydrophobicContact CD1-CD1 3.95Å; L244-L263 HydrophobicContact CD2-CD1 3.78Å; L244-L263 HydrophobicContact CD2-CD2 4.21Å; A256-L263 HydrophobicContact CB-CD2 4.28Å; L257-L263 HydrophobicContact CD2-CB 4.24Å; D260-L263 HydrophobicContact CB-CB 4.2Å; D260-L263 WeakPolarHBondContact O-CB 3.45Å; D260-L263 PolarHBondContact O-N 2.88Å; D260-L263 PolarHBondContact OD1-N 2.91Å; L263-S266 PolarHBondContact O-N 2.77Å; L263-L267 HydrophobicContact CD1-CD1 4.41Å; L263-L267 HydrophobicContact CD1-CG 4.36Å; L263-L267 HydrophobicContact CG-CD1 4.13Å; L263-L267 WeakPolarHBondContact O-CG 2.87Å; L263-L267 PolarHBondContact O-N 3.16Å |
| 264 | M | 79.1 | Confident | 67.6 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.8 | -174.2 | 58.8 | 81 | 0 | 0 | 111.3 | F262 S266 L267 L268 I284 I287 F288 N305 V306 P309 V310 | F262-M264 VanDerWaalsContact C-N 3.27Å; F262-M264 PolarHBondContact O-N 2.85Å; F262-M264 VanDerWaalsContact O-N 3.16Å; M264-S266 VanDerWaalsContact C-N 3.27Å; M264-S266 PolarHBondContact O-N 3.38Å; M264-L267 PolarHBondContact O-N 2.92Å; M264-L268 HydrophobicContact CG-CD1 4.37Å; M264-L268 HydrophobicContact CG-CG 4.43Å; M264-L268 VanDerWaalsContact O-CG 3.3Å; M264-L268 WeakPolarHBondContact O-CG 3.49Å; M264-L268 PolarHBondContact O-N 3.39Å; M264-L268 HydrophobicContact SD-CG 4.39Å; M264-I284 HydrophobicContact SD-CG1 4.14Å; M264-I284 HydrophobicContact SD-CG2 4.46Å; M264-I287 HydrophobicContact CE-CB 4.03Å; M264-I287 HydrophobicContact CE-CD1 3.42Å; M264-I287 VanDerWaalsContact CE-CD1 3.42Å; M264-I287 HydrophobicContact CE-CG1 4.25Å; M264-I287 HydrophobicContact CE-CG2 3.51Å; M264-I287 HydrophobicContact SD-CD1 4.11Å; M264-F288 HydrophobicContact CE-CE1 4.39Å; M264-N305 WeakPolarHBondContact CB-O 3.35Å; M264-V306 HydrophobicContact CE-CG1 3.66Å; M264-P309 HydrophobicContact CB-CB 4.49Å; M264-P309 HydrophobicContact CB-CG 3.95Å; M264-P309 HydrophobicContact CG-CB 3.99Å; M264-P309 HydrophobicContact CG-CG 3.75Å; M264-V310 HydrophobicContact CE-CG2 3.99Å; M264-V310 HydrophobicContact CG-CG2 3.85Å; M264-V310 HydrophobicContact SD-CG2 3.73Å |
| 265 | W | 76 | Confident | 67.2 | Low | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.038 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.9 | -44.4 | 175.2 | -66.5 | 94.7 | 0 | 0 | 0 | 111.6 | H233 F262 L268 L269 K308 P309 V319 D320 | H233-W265 AromaticContact CE1-CD1 3.51Å; H233-W265 AromaticContact CE1-CD2 3.37Å; H233-W265 AromaticContact CE1-CE2 3.59Å; H233-W265 AromaticContact CE1-CE3 3.97Å; H233-W265 AromaticContact CE1-CG 3.37Å; H233-W265 AromaticContact CE1-NE1 3.58Å; H233-W265 WeakPolarHBondContact ND1-CB 3.43Å; H233-W265 AromaticContact ND1-CD1 3.57Å; H233-W265 AromaticContact ND1-CD2 3.33Å; H233-W265 VanDerWaalsContact ND1-CD2 3.33Å; H233-W265 AromaticContact ND1-CE3 3.79Å; H233-W265 AromaticContact ND1-CG 3.04Å; F262-W265 AromaticContact CD1-CD1 3.94Å; F262-W265 VanDerWaalsContact O-CB 3.28Å; F262-W265 WeakPolarHBondContact O-CB 3.46Å; F262-W265 PolarHBondContact O-N 2.9Å; W265-L268 PolarHBondContact O-N 3.38Å; W265-L269 WeakPolarHBondContact O-CG 3.1Å; W265-L269 PolarHBondContact O-N 3.37Å; W265-K308 HydrophobicContact CZ2-CG 4.31Å; W265-P309 HydrophobicContact CD2-CB 3.58Å; W265-P309 HydrophobicContact CD2-CG 4.09Å; W265-P309 VanDerWaalsContact CE2-CB 3.42Å; W265-P309 HydrophobicContact CE3-CB 3.94Å; W265-P309 HydrophobicContact CG-CB 4.04Å; W265-P309 HydrophobicContact CG-CG 4.26Å; W265-P309 HydrophobicContact CH2-CB 3.88Å; W265-P309 HydrophobicContact CZ2-CB 3.62Å; W265-P309 HydrophobicContact CZ2-CG 3.9Å; W265-P309 HydrophobicContact CZ3-CB 4.03Å; W265-V319 HydrophobicContact CD2-CG1 4.44Å; W265-V319 HydrophobicContact CE3-CB 4.2Å; W265-V319 HydrophobicContact CE3-CG1 3.16Å; W265-V319 HydrophobicContact CZ3-CB 3.89Å; W265-V319 HydrophobicContact CZ3-CG1 3.33Å; W265-V319 HydrophobicContact CZ3-CG2 4.29Å; W265-D320 VanDerWaalsContact CE3-O 3.28Å; W265-D320 HydrophobicContact CH2-CB 4.05Å; W265-D320 HydrophobicContact CZ3-CB 4.26Å; W265-D320 VanDerWaalsContact CZ3-N 3.29Å; W265-D320 WeakPolarHBondContact CZ3-O 3.4Å |
| 266 | S | 73.7 | Confident | 67.2 | Low | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.9 | -38.3 | -180 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | F234 F262 L263 M264 G270 | F234-S266 WeakPolarHBondContact O-CA 3.49Å; F234-S266 WeakPolarHBondContact O-CB 3.49Å; F234-S266 PolarHBondContact O-OG 3.03Å; F262-S266 PolarHBondContact O-N 3.24Å; F262-S266 VanDerWaalsContact O-N 3.08Å; F262-S266 PolarHBondContact O-OG 3.44Å; L263-S266 PolarHBondContact O-N 2.77Å; M264-S266 VanDerWaalsContact C-N 3.27Å; M264-S266 PolarHBondContact O-N 3.38Å; S266-G270 PolarHBondContact O-N 2.94Å |
| 267 | L | 75.3 | Confident | 67.4 | Low | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 174.2 | -74.8 | 169.1 | 0 | 0 | 0 | 111.9 | L236 L244 L263 M264 L269 G270 V271 I283 I284 I287 | L236-L267 HydrophobicContact CD1-CD2 4.17Å; L236-L267 HydrophobicContact CD1-CG 4.3Å; L244-L267 HydrophobicContact CD1-CD2 4.41Å; L263-L267 HydrophobicContact CD1-CD1 4.41Å; L263-L267 HydrophobicContact CD1-CG 4.36Å; L263-L267 HydrophobicContact CG-CD1 4.13Å; L263-L267 WeakPolarHBondContact O-CG 2.87Å; L263-L267 PolarHBondContact O-N 3.16Å; M264-L267 PolarHBondContact O-N 2.92Å; L267-L269 VanDerWaalsContact C-N 3.34Å; L267-G270 CarbonylContact O-C 3.55Å; L267-G270 VanDerWaalsContact O-CA 3.32Å; L267-G270 WeakPolarHBondContact O-CA 3.41Å; L267-G270 PolarHBondContact O-N 3.37Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 3.25Å; L267-I283 HydrophobicContact CD1-CB 4.42Å; L267-I283 HydrophobicContact CD1-CG2 3.64Å; L267-I283 HydrophobicContact CD2-CB 4.23Å; L267-I283 HydrophobicContact CD2-CD1 4.02Å; L267-I283 HydrophobicContact CD2-CG2 4.07Å; L267-I284 HydrophobicContact CB-CD1 4.25Å; L267-I284 HydrophobicContact CB-CG1 4.14Å; L267-I284 HydrophobicContact CD1-CG1 4.31Å; L267-I287 HydrophobicContact CD1-CD1 3.59Å |
| 268 | L | 76.5 | Confident | 67.8 | Low | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 175.6 | -68.1 | -175.6 | 0 | 0 | 0 | 111.6 | M264 W265 G270 V271 G272 I284 P309 V310 L313 V319 F347 | M264-L268 HydrophobicContact CG-CD1 4.37Å; M264-L268 HydrophobicContact CG-CG 4.43Å; M264-L268 VanDerWaalsContact O-CG 3.3Å; M264-L268 WeakPolarHBondContact O-CG 3.49Å; M264-L268 PolarHBondContact O-N 3.39Å; M264-L268 HydrophobicContact SD-CG 4.39Å; W265-L268 PolarHBondContact O-N 3.38Å; L268-G270 VanDerWaalsContact C-N 3.26Å; L268-G270 PolarHBondContact O-N 3.24Å; L268-V271 PolarHBondContact O-N 3.19Å; L268-G272 PolarHBondContact O-N 3.02Å; L268-I284 HydrophobicContact CD2-CD1 3.79Å; L268-P309 HydrophobicContact CD1-CB 3.74Å; L268-P309 WeakPolarHBondContact CD1-O 3.46Å; L268-V310 HydrophobicContact CD1-CG2 4.38Å; L268-L313 HydrophobicContact CB-CD2 4.12Å; L268-L313 HydrophobicContact CD1-CB 4.03Å; L268-L313 HydrophobicContact CD1-CD2 4.09Å; L268-L313 HydrophobicContact CD2-CD2 3.59Å; L268-L313 HydrophobicContact CG-CD2 4.12Å; L268-V319 HydrophobicContact CB-CG2 4.4Å; L268-V319 HydrophobicContact CD1-CG2 4.35Å; L268-F347 HydrophobicContact CD2-CD2 3.99Å; L268-F347 HydrophobicContact CD2-CE2 3.49Å; L268-F347 VanDerWaalsContact CD2-CE2 3.49Å; L268-F347 HydrophobicContact CD2-CZ 4.15Å |
| 269 | L | 73.7 | Confident | 68.1 | Low | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.6 | -40.6 | 169 | -75.2 | 168 | 0 | 0 | 0 | 111.3 | W265 L267 G272 Y273 V319 K337 F339 | W265-L269 WeakPolarHBondContact O-CG 3.1Å; W265-L269 PolarHBondContact O-N 3.37Å; L267-L269 VanDerWaalsContact C-N 3.34Å; L269-G272 PolarHBondContact O-N 3.07Å; L269-Y273 VanDerWaalsContact O-CD2 3.26Å; L269-Y273 WeakPolarHBondContact O-CD2 3.4Å; L269-V319 HydrophobicContact CG-CG1 4.49Å; L269-K337 HydrophobicContact CD2-CD 3.98Å; L269-F339 HydrophobicContact CD2-CZ 4.04Å |
| 270 | G | 67.6 | Low | 68.8 | Low | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S266 L267 L268 G272 Y273 T276 | S266-G270 PolarHBondContact O-N 2.94Å; L267-G270 CarbonylContact O-C 3.55Å; L267-G270 VanDerWaalsContact O-CA 3.32Å; L267-G270 WeakPolarHBondContact O-CA 3.41Å; L267-G270 PolarHBondContact O-N 3.37Å; L268-G270 VanDerWaalsContact C-N 3.26Å; L268-G270 PolarHBondContact O-N 3.24Å; G270-G272 VanDerWaalsContact C-N 3.31Å; G270-Y273 PolarHBondContact O-N 3.4Å; G270-Y273 VanDerWaalsContact O-O 3.12Å; G270-T276 PolarHBondContact O-OG1 3.19Å |
| 271 | V | 68 | Low | 69.5 | Low | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.8 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | L267 L268 Y273 A280 I284 F347 | L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 3.25Å; L268-V271 PolarHBondContact O-N 3.19Å; V271-Y273 PolarHBondContact O-N 3.19Å; V271-A280 HydrophobicContact CG2-CB 3.6Å; V271-I284 HydrophobicContact CG2-CD1 3.7Å; V271-F347 HydrophobicContact CG1-CB 3.86Å; V271-F347 HydrophobicContact CG1-CD2 4.44Å |
| 272 | G | 65.4 | Low | 70 | Confident | 16 Ų | 16 | 26 Ų | 26 | 17% | 0.165 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -21.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L268 L269 G270 | L268-G272 PolarHBondContact O-N 3.02Å; L269-G272 PolarHBondContact O-N 3.07Å; G270-G272 VanDerWaalsContact C-N 3.31Å |
| 273 | Y | 61.1 | Low | 70.4 | Confident | 67 Ų | 67 | 24.1 Ų | 24.1 | 26% | 0.263 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -103 | 107 | 175 | -71.4 | -87.3 | 0 | 0 | 0 | 108.5 | K235 L269 G270 V271 C275 T276 K337 H1795 | K235-Y273 HydrophobicContact CD-CD2 3.87Å; K235-Y273 HydrophobicContact CD-CE2 3.75Å; K235-Y273 HydrophobicContact CD-CG 4.49Å; K235-Y273 VanDerWaalsContact NZ-CG 3.26Å; L269-Y273 VanDerWaalsContact O-CD2 3.26Å; L269-Y273 WeakPolarHBondContact O-CD2 3.4Å; G270-Y273 PolarHBondContact O-N 3.4Å; G270-Y273 VanDerWaalsContact O-O 3.12Å; V271-Y273 PolarHBondContact O-N 3.19Å; Y273-C275 PolarHBondContact O-N 3.29Å; Y273-T276 PolarHBondContact O-N 3.36Å; Y273-K337 PolarHBondContact OH-NZ 3.37Å; Y273-H1795 AromaticContact CE1-NE2 3.54Å |
| 274 | N | 53.2 | Low | 70.8 | Confident | 84 Ų | 84 | 24.1 Ų | 24.1 | 45% | 0.449 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -47 | -28.3 | -168.8 | -79.3 | -19.8 | 0 | 0 | 0 | 116.6 | T276 S277 | N274-T276 PolarHBondContact O-N 3.19Å; N274-T276 VanDerWaalsContact O-N 3.1Å; N274-S277 PolarHBondContact O-OG 2.9Å |
| 275 | C | 54.2 | Low | 70.8 | Confident | 115 Ų | 115 | 27 Ų | 27 | 78% | 0.777 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -61.1 | -22.7 | -174.8 | -37.4 | 0 | 0 | 0 | 0 | 114.2 | Y273 | Y273-C275 PolarHBondContact O-N 3.29Š|
| 276 | T | 62.6 | Low | 70.8 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -129.8 | 7.4 | -172.9 | 45.7 | 0 | 0 | 0 | 0 | 113.7 | K238 I241 G270 Y273 N274 N278 V279 A280 | K238-T276 HydrophobicContact CB-CG2 4.14Å; K238-T276 HydrophobicContact CG-CG2 3.76Å; I241-T276 HydrophobicContact CD1-CG2 4.13Å; G270-T276 PolarHBondContact O-OG1 3.19Å; Y273-T276 PolarHBondContact O-N 3.36Å; N274-T276 PolarHBondContact O-N 3.19Å; N274-T276 VanDerWaalsContact O-N 3.1Å; T276-N278 VanDerWaalsContact C-N 3.33Å; T276-N278 PolarHBondContact O-N 2.84Å; T276-V279 PolarHBondContact O-N 2.98Å; T276-A280 PolarHBondContact O-N 3.22Å |
| 277 | S | 67.9 | Low | 71.1 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.1 | -44.4 | -169.4 | 63.1 | 0 | 0 | 0 | 0 | 113 | N274 C281 | N274-S277 PolarHBondContact O-OG 2.9Å; S277-C281 VanDerWaalsContact O-CB 3.31Å; S277-C281 WeakPolarHBondContact O-CB 3.07Å; S277-C281 PolarHBondContact O-N 3.02Å; S277-C281 PolarHBondContact O-SG 3.4Å |
| 278 | N | 72.8 | Confident | 71.4 | Confident | 118 Ų | 118 | 27.6 Ų | 27.6 | 63% | 0.631 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -66 | -41.8 | -177.9 | -70 | -19.7 | 0 | 0 | 0 | 113 | T276 G282 | T276-N278 VanDerWaalsContact C-N 3.33Å; T276-N278 PolarHBondContact O-N 2.84Å; N278-G282 PolarHBondContact O-N 3.31Å |
| 279 | V | 71.4 | Confident | 71.4 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.6 | -43.3 | -179.9 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | I241 T276 G282 I283 | I241-V279 HydrophobicContact CG2-CB 4.02Å; I241-V279 HydrophobicContact CG2-CG1 3.84Å; T276-V279 PolarHBondContact O-N 2.98Å; V279-G282 PolarHBondContact O-N 2.86Å; V279-G282 VanDerWaalsContact O-N 3.15Å; V279-I283 HydrophobicContact CG1-CD1 4.42Å; V279-I283 WeakPolarHBondContact O-CG1 2.85Å; V279-I283 PolarHBondContact O-N 3.35Å |
| 280 | A | 74.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | I241 V271 T276 G282 I283 I284 | I241-A280 HydrophobicContact CG2-CB 4.21Å; V271-A280 HydrophobicContact CG2-CB 3.6Å; T276-A280 PolarHBondContact O-N 3.22Å; A280-G282 VanDerWaalsContact C-N 3.29Å; A280-G282 PolarHBondContact O-N 3.12Å; A280-I283 PolarHBondContact O-N 2.62Å; A280-I283 VanDerWaalsContact O-N 3.17Å; A280-I284 WeakPolarHBondContact O-CG1 3.29Å; A280-I284 PolarHBondContact O-N 3.36Å |
| 281 | C | 78.8 | Confident | 72.1 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 173.3 | -71.2 | 0 | 0 | 0 | 0 | 112 | S277 I283 I284 K285 | S277-C281 VanDerWaalsContact O-CB 3.31Å; S277-C281 WeakPolarHBondContact O-CB 3.07Å; S277-C281 PolarHBondContact O-N 3.02Å; S277-C281 PolarHBondContact O-SG 3.4Å; C281-I283 VanDerWaalsContact C-N 3.33Å; C281-I283 PolarHBondContact O-N 3.17Å; C281-I284 PolarHBondContact O-N 3.42Å; C281-K285 VanDerWaalsContact O-CG 3.28Å; C281-K285 WeakPolarHBondContact O-CG 3.41Å; C281-K285 PolarHBondContact O-N 3.42Å |
| 282 | G | 75.9 | Confident | 72.5 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | N278 V279 A280 S286 | N278-G282 PolarHBondContact O-N 3.31Å; V279-G282 PolarHBondContact O-N 2.86Å; V279-G282 VanDerWaalsContact O-N 3.15Å; A280-G282 VanDerWaalsContact C-N 3.29Å; A280-G282 PolarHBondContact O-N 3.12Å; G282-S286 PolarHBondContact O-N 3.43Å |
| 283 | I | 77.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.6 | -48 | 175.4 | -64.4 | 162.1 | 0 | 0 | 0 | 110.3 | I241 L244 L245 V248 L267 V279 A280 C281 K285 S286 I287 | I241-I283 HydrophobicContact CG2-CD1 4.05Å; I241-I283 VanDerWaalsContact O-CD1 3.27Å; I241-I283 WeakPolarHBondContact O-CD1 3.46Å; L244-I283 HydrophobicContact CB-CD1 3.8Å; L245-I283 HydrophobicContact CB-CD1 4.41Å; L245-I283 HydrophobicContact CB-CG1 4.15Å; L245-I283 HydrophobicContact CD1-CG1 3.75Å; V248-I283 HydrophobicContact CG2-CG2 4.17Å; L267-I283 HydrophobicContact CD1-CB 4.42Å; L267-I283 HydrophobicContact CD1-CG2 3.64Å; L267-I283 HydrophobicContact CD2-CB 4.23Å; L267-I283 HydrophobicContact CD2-CD1 4.02Å; L267-I283 HydrophobicContact CD2-CG2 4.07Å; V279-I283 HydrophobicContact CG1-CD1 4.42Å; V279-I283 WeakPolarHBondContact O-CG1 2.85Å; V279-I283 PolarHBondContact O-N 3.35Å; A280-I283 PolarHBondContact O-N 2.62Å; A280-I283 VanDerWaalsContact O-N 3.17Å; C281-I283 VanDerWaalsContact C-N 3.33Å; C281-I283 PolarHBondContact O-N 3.17Å; I283-K285 VanDerWaalsContact C-N 3.27Å; I283-K285 PolarHBondContact O-N 3.03Å; I283-S286 CarbonylContact O-C 3.53Å; I283-S286 WeakPolarHBondContact O-CA 3.29Å; I283-S286 WeakPolarHBondContact O-CB 3.34Å; I283-S286 PolarHBondContact O-N 2.9Å; I283-I287 HydrophobicContact CG2-CD1 4.47Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 2.79Å |
| 284 | I | 82.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.5 | -39.5 | 179 | -66.3 | 160.6 | 0 | 0 | 0 | 111.6 | M264 L267 L268 V271 A280 C281 S286 I287 F288 F347 C351 | M264-I284 HydrophobicContact SD-CG1 4.14Å; M264-I284 HydrophobicContact SD-CG2 4.46Å; L267-I284 HydrophobicContact CB-CD1 4.25Å; L267-I284 HydrophobicContact CB-CG1 4.14Å; L267-I284 HydrophobicContact CD1-CG1 4.31Å; L268-I284 HydrophobicContact CD2-CD1 3.79Å; V271-I284 HydrophobicContact CG2-CD1 3.7Å; A280-I284 WeakPolarHBondContact O-CG1 3.29Å; A280-I284 PolarHBondContact O-N 3.36Å; C281-I284 PolarHBondContact O-N 3.42Å; I284-S286 VanDerWaalsContact C-N 3.34Å; I284-S286 PolarHBondContact O-N 2.96Å; I284-I287 WeakPolarHBondContact O-CA 3.11Å; I284-I287 VanDerWaalsContact O-CB 3.26Å; I284-I287 WeakPolarHBondContact O-CB 3.45Å; I284-I287 PolarHBondContact O-N 3.16Å; I284-I287 VanDerWaalsContact O-N 3.1Å; I284-F288 HydrophobicContact CG2-CD2 4.34Å; I284-F288 HydrophobicContact CG2-CE1 3.93Å; I284-F288 HydrophobicContact CG2-CE2 3.73Å; I284-F288 HydrophobicContact CG2-CZ 3.5Å; I284-F288 VanDerWaalsContact CG2-CZ 3.5Å; I284-F288 WeakPolarHBondContact O-CG 3.42Å; I284-F288 PolarHBondContact O-N 3.28Å; I284-F347 HydrophobicContact CD1-CD2 4.47Å; I284-F347 HydrophobicContact CD1-CE2 4.23Å; I284-F347 HydrophobicContact CG2-CE2 4.41Å; I284-C351 HydrophobicContact CG2-CB 4.4Å |
| 285 | K | 78.9 | Confident | 74.7 | Confident | 62 Ų | 62 | 38.4 Ų | 38.4 | 27% | 0.27 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 171.9 | -76.9 | 173.8 | -172.5 | -165.3 | 0 | 112.5 | C281 I283 I287 F288 E289 S350 N353 Q355 | C281-K285 VanDerWaalsContact O-CG 3.28Å; C281-K285 WeakPolarHBondContact O-CG 3.41Å; C281-K285 PolarHBondContact O-N 3.42Å; I283-K285 VanDerWaalsContact C-N 3.27Å; I283-K285 PolarHBondContact O-N 3.03Å; K285-I287 PolarHBondContact O-N 3.5Å; K285-F288 WeakPolarHBondContact O-CB 3.27Å; K285-F288 PolarHBondContact O-N 3.03Å; K285-F288 VanDerWaalsContact O-N 3.07Å; K285-E289 WeakPolarHBondContact O-CG 3.28Å; K285-E289 PolarHBondContact O-N 3.02Å; K285-S350 WeakPolarHBondContact CE-O 3.47Å; K285-S350 PolarHBondContact NZ-O 3.05Å; K285-S350 VanDerWaalsContact NZ-O 3.1Å; K285-N353 WeakPolarHBondContact CE-ND2 3.26Å; K285-Q355 VanDerWaalsContact CB-OE1 3.32Å |
| 286 | S | 75.8 | Confident | 75.8 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -30.9 | 175.9 | -163.7 | 0 | 0 | 0 | 0 | 112.3 | G282 I283 I284 Q290 | G282-S286 PolarHBondContact O-N 3.43Å; I283-S286 CarbonylContact O-C 3.53Å; I283-S286 WeakPolarHBondContact O-CA 3.29Å; I283-S286 WeakPolarHBondContact O-CB 3.34Å; I283-S286 PolarHBondContact O-N 2.9Å; I284-S286 VanDerWaalsContact C-N 3.34Å; I284-S286 PolarHBondContact O-N 2.96Å; S286-Q290 PolarHBondContact O-N 3.26Å |
| 287 | I | 79.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 170.1 | -56.5 | -178.9 | 0 | 0 | 0 | 110.8 | L253 M264 L267 I283 I284 K285 E289 Q290 S291 I294 V306 | L253-I287 HydrophobicContact CD1-CB 4.16Å; L253-I287 HydrophobicContact CD1-CD1 4.41Å; L253-I287 HydrophobicContact CD1-CG1 3.4Å; L253-I287 VanDerWaalsContact CD1-CG1 3.4Å; L253-I287 HydrophobicContact CD2-CB 3.71Å; L253-I287 HydrophobicContact CD2-CD1 4.16Å; L253-I287 HydrophobicContact CD2-CG1 3.45Å; L253-I287 VanDerWaalsContact CD2-CG1 3.45Å; L253-I287 HydrophobicContact CD2-CG2 3.48Å; L253-I287 VanDerWaalsContact CD2-CG2 3.48Å; L253-I287 HydrophobicContact CG-CB 4.5Å; L253-I287 HydrophobicContact CG-CG1 3.93Å; M264-I287 HydrophobicContact CE-CB 4.03Å; M264-I287 HydrophobicContact CE-CD1 3.42Å; M264-I287 VanDerWaalsContact CE-CD1 3.42Å; M264-I287 HydrophobicContact CE-CG1 4.25Å; M264-I287 HydrophobicContact CE-CG2 3.51Å; M264-I287 HydrophobicContact SD-CD1 4.11Å; L267-I287 HydrophobicContact CD1-CD1 3.59Å; I283-I287 HydrophobicContact CG2-CD1 4.47Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 2.79Å; I284-I287 WeakPolarHBondContact O-CA 3.11Å; I284-I287 VanDerWaalsContact O-CB 3.26Å; I284-I287 WeakPolarHBondContact O-CB 3.45Å; I284-I287 PolarHBondContact O-N 3.16Å; I284-I287 VanDerWaalsContact O-N 3.1Å; K285-I287 PolarHBondContact O-N 3.5Å; I287-E289 VanDerWaalsContact C-N 3.35Å; I287-E289 PolarHBondContact O-N 2.82Å; I287-Q290 PolarHBondContact O-N 3.41Å; I287-S291 PolarHBondContact O-N 3.42Å; I287-I294 HydrophobicContact CG2-CD1 4.36Å; I287-V306 HydrophobicContact CG2-CG1 3.84Å |
| 288 | F | 81.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 1% | 0.013 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -179.8 | -63.3 | -18.1 | 0 | 0 | 0 | 112.4 | M264 I284 K285 Q290 S291 V310 C351 F356 L359 | M264-F288 HydrophobicContact CE-CE1 4.39Å; I284-F288 HydrophobicContact CG2-CD2 4.34Å; I284-F288 HydrophobicContact CG2-CE1 3.93Å; I284-F288 HydrophobicContact CG2-CE2 3.73Å; I284-F288 HydrophobicContact CG2-CZ 3.5Å; I284-F288 VanDerWaalsContact CG2-CZ 3.5Å; I284-F288 WeakPolarHBondContact O-CG 3.42Å; I284-F288 PolarHBondContact O-N 3.28Å; K285-F288 WeakPolarHBondContact O-CB 3.27Å; K285-F288 PolarHBondContact O-N 3.03Å; K285-F288 VanDerWaalsContact O-N 3.07Å; F288-Q290 PolarHBondContact O-N 3.29Å; F288-S291 VanDerWaalsContact O-CB 3.26Å; F288-S291 WeakPolarHBondContact O-CB 3.36Å; F288-S291 PolarHBondContact O-N 3.3Å; F288-S291 PolarHBondContact O-OG 2.59Å; F288-V310 HydrophobicContact CE1-CG1 4.38Å; F288-V310 HydrophobicContact CE1-CG2 4.12Å; F288-V310 HydrophobicContact CZ-CG1 3.94Å; F288-V310 HydrophobicContact CZ-CG2 4.16Å; F288-C351 HydrophobicContact CE2-CB 4.06Å; F288-F356 HydrophobicContact CD2-CD2 4.05Å; F288-F356 AromaticContact CE2-CD2 3.63Å; F288-F356 HydrophobicContact CE2-CD2 3.63Å; F288-F356 HydrophobicContact CE2-CE2 4.2Å; F288-F356 HydrophobicContact CZ-CD2 4.04Å; F288-F356 HydrophobicContact CZ-CE2 4.16Å; F288-L359 HydrophobicContact CB-CD2 4.36Å; F288-L359 HydrophobicContact CD1-CD1 4.05Å; F288-L359 HydrophobicContact CD1-CD2 3.98Å; F288-L359 HydrophobicContact CD2-CD1 4.48Å; F288-L359 HydrophobicContact CE1-CD1 4.29Å; F288-L359 HydrophobicContact CG-CD1 4.15Å; F288-L359 HydrophobicContact CG-CD2 4.38Å |
| 289 | E | 76.5 | Confident | 76.9 | Confident | 115 Ų | 115 | 46 Ų | 46 | 54% | 0.537 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.2 | -32.1 | 175.2 | -72.1 | 173.3 | 171.6 | 0 | 0 | 113.2 | K285 I287 Q355 | K285-E289 WeakPolarHBondContact O-CG 3.28Å; K285-E289 PolarHBondContact O-N 3.02Å; I287-E289 VanDerWaalsContact C-N 3.35Å; I287-E289 PolarHBondContact O-N 2.82Å; E289-Q355 HydrophobicContact CG-CG 4.28Å; E289-Q355 PolarHBondContact OE1-NE2 3.18Å |
| 290 | Q | 77.3 | Confident | 77.1 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.6 | -178.6 | -61.5 | -170.7 | 11.4 | 0 | 0 | 114.2 | L253 S286 I287 F288 V292 T293 I294 | L253-Q290 HydrophobicContact CB-CB 4.4Å; L253-Q290 VanDerWaalsContact CB-OE1 3.25Å; S286-Q290 PolarHBondContact O-N 3.26Å; I287-Q290 PolarHBondContact O-N 3.41Å; F288-Q290 PolarHBondContact O-N 3.29Å; Q290-V292 VanDerWaalsContact C-N 3.33Å; Q290-V292 PolarHBondContact O-N 2.85Å; Q290-T293 WeakPolarHBondContact O-CB 3.35Å; Q290-T293 PolarHBondContact O-N 2.93Å; Q290-T293 VanDerWaalsContact O-N 3.09Å; Q290-I294 HydrophobicContact CB-CD1 4.46Å; Q290-I294 WeakPolarHBondContact O-CG1 3.48Å; Q290-I294 PolarHBondContact O-N 3.29Å; Q290-I294 VanDerWaalsContact O-N 3.13Å |
| 291 | S | 78.6 | Confident | 77.1 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.3 | -38.4 | -173.5 | 58 | 0 | 0 | 0 | 0 | 115 | I287 F288 T293 I294 K295 L359 | I287-S291 PolarHBondContact O-N 3.42Å; F288-S291 VanDerWaalsContact O-CB 3.26Å; F288-S291 WeakPolarHBondContact O-CB 3.36Å; F288-S291 PolarHBondContact O-N 3.3Å; F288-S291 PolarHBondContact O-OG 2.59Å; S291-T293 VanDerWaalsContact C-N 3.31Å; S291-T293 PolarHBondContact O-N 3.48Å; S291-I294 PolarHBondContact O-N 3.2Å; S291-K295 PolarHBondContact O-N 3.37Å; S291-L359 WeakPolarHBondContact OG-CD2 3.42Å |
| 292 | V | 76.8 | Confident | 77.2 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | Q290 R296 P360 | Q290-V292 VanDerWaalsContact C-N 3.33Å; Q290-V292 PolarHBondContact O-N 2.85Å; V292-R296 WeakPolarHBondContact O-CB 3.39Å; V292-R296 PolarHBondContact O-N 2.97Å; V292-P360 HydrophobicContact CG2-CG 4.46Å |
| 293 | T | 73.4 | Confident | 77.3 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 177.5 | -45.3 | 0 | 0 | 0 | 0 | 111.2 | V254 Q290 S291 R296 N297 | V254-T293 HydrophobicContact CG2-CG2 4.15Å; Q290-T293 WeakPolarHBondContact O-CB 3.35Å; Q290-T293 PolarHBondContact O-N 2.93Å; Q290-T293 VanDerWaalsContact O-N 3.09Å; S291-T293 VanDerWaalsContact C-N 3.31Å; S291-T293 PolarHBondContact O-N 3.48Å; T293-R296 PolarHBondContact O-N 3.29Å; T293-N297 WeakPolarHBondContact O-CB 3.47Å; T293-N297 VanDerWaalsContact O-CG 3.31Å; T293-N297 PolarHBondContact O-N 2.95Å; T293-N297 VanDerWaalsContact O-N 3.08Å |
| 294 | I | 74.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -50.2 | 176.5 | -60.1 | 161.4 | 0 | 0 | 0 | 110.1 | L253 V254 L257 I287 Q290 S291 R296 N297 S298 Y302 | L253-I294 HydrophobicContact CB-CD1 4.39Å; L253-I294 HydrophobicContact CD2-CD1 3.57Å; V254-I294 HydrophobicContact CB-CG1 4.44Å; V254-I294 HydrophobicContact CG2-CB 4.35Å; V254-I294 HydrophobicContact CG2-CG1 3.62Å; L257-I294 HydrophobicContact CD1-CD1 3.74Å; L257-I294 HydrophobicContact CD1-CG1 4.31Å; L257-I294 HydrophobicContact CD1-CG2 4.04Å; I287-I294 HydrophobicContact CG2-CD1 4.36Å; Q290-I294 HydrophobicContact CB-CD1 4.46Å; Q290-I294 WeakPolarHBondContact O-CG1 3.48Å; Q290-I294 PolarHBondContact O-N 3.29Å; Q290-I294 VanDerWaalsContact O-N 3.13Å; S291-I294 PolarHBondContact O-N 3.2Å; I294-R296 VanDerWaalsContact C-N 3.34Å; I294-R296 PolarHBondContact O-N 3.45Å; I294-N297 PolarHBondContact O-N 3.25Å; I294-S298 CarbonylContact O-C 3.59Å; I294-S298 PolarHBondContact O-N 2.84Å; I294-S298 PolarHBondContact O-OG 3.04Å; I294-Y302 HydrophobicContact CG2-CD2 4.33Å |
| 295 | K | 78 | Confident | 76.9 | Confident | 63 Ų | 63 | 57.4 Ų | 57.4 | 27% | 0.274 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 178.5 | -173.8 | -177.8 | 174 | -170.5 | 0 | 112.2 | S291 N297 P299 Y302 P360 G361 | S291-K295 PolarHBondContact O-N 3.37Å; K295-N297 VanDerWaalsContact C-N 3.34Å; K295-N297 PolarHBondContact O-N 3.31Å; K295-P299 WeakPolarHBondContact O-CD 3.49Å; K295-P299 WeakPolarHBondContact O-CG 3.46Å; K295-Y302 HydrophobicContact CB-CD1 3.71Å; K295-Y302 HydrophobicContact CB-CD2 4.29Å; K295-Y302 HydrophobicContact CB-CE1 4.18Å; K295-Y302 HydrophobicContact CB-CG 3.77Å; K295-Y302 HydrophobicContact CD-CD1 3.92Å; K295-Y302 HydrophobicContact CD-CE1 3.9Å; K295-Y302 HydrophobicContact CG-CD1 3.69Å; K295-Y302 HydrophobicContact CG-CE1 4.17Å; K295-Y302 HydrophobicContact CG-CG 4.2Å; K295-P360 HydrophobicContact CB-CG 4.03Å; K295-P360 HydrophobicContact CD-CB 3.52Å; K295-P360 HydrophobicContact CD-CG 3.46Å; K295-P360 VanDerWaalsContact CD-CG 3.46Å; K295-P360 HydrophobicContact CG-CG 4.37Å; K295-G361 VanDerWaalsContact CE-O 3.29Å; K295-G361 WeakPolarHBondContact CE-O 3.41Å; K295-G361 PolarHBondContact NZ-O 3.3Å |
| 296 | R | 78 | Confident | 76.9 | Confident | 218 Ų | 218 | 54.6 Ų | 54.6 | 82% | 0.823 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.1 | -37.7 | -179.6 | -171.5 | 176.7 | -176.9 | 171.9 | 1.6 | 112.6 | V292 T293 I294 | V292-R296 WeakPolarHBondContact O-CB 3.39Å; V292-R296 PolarHBondContact O-N 2.97Å; T293-R296 PolarHBondContact O-N 3.29Å; I294-R296 VanDerWaalsContact C-N 3.34Å; I294-R296 PolarHBondContact O-N 3.45Å |
| 297 | N | 75.1 | Confident | 77.3 | Confident | 103 Ų | 103 | 54 Ų | 54 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -85.5 | -38.7 | -176.6 | -68.8 | -9.8 | 0 | 0 | 0 | 112.6 | V254 T293 I294 K295 | V254-N297 HydrophobicContact CG1-CB 4.12Å; T293-N297 WeakPolarHBondContact O-CB 3.47Å; T293-N297 VanDerWaalsContact O-CG 3.31Å; T293-N297 PolarHBondContact O-N 2.95Å; T293-N297 VanDerWaalsContact O-N 3.08Å; I294-N297 PolarHBondContact O-N 3.25Å; K295-N297 VanDerWaalsContact C-N 3.34Å; K295-N297 PolarHBondContact O-N 3.31Å |
| 298 | S | 74.9 | Confident | 77.4 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | trans | -147.2 | 80.8 | -176.5 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | I294 Q300 V301 Y302 | I294-S298 CarbonylContact O-C 3.59Å; I294-S298 PolarHBondContact O-N 2.84Å; I294-S298 PolarHBondContact O-OG 3.04Å; S298-Q300 VanDerWaalsContact C-N 3.32Å; S298-Q300 PolarHBondContact O-N 3.48Å; S298-V301 PolarHBondContact O-N 2.72Å; S298-Y302 PolarHBondContact O-N 3.48Å; S298-Y302 VanDerWaalsContact O-N 3.08Å | ||
| 299 | P | 76.2 | Confident | 77.3 | Confident | 70 Ų | 70 | 57 Ų | 57 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.6 | -43.8 | -177.2 | -22.2 | 28.6 | 0 | 0 | 0 | 113.4 | K295 V301 Y302 D303 | K295-P299 WeakPolarHBondContact O-CD 3.49Å; K295-P299 WeakPolarHBondContact O-CG 3.46Å; P299-V301 VanDerWaalsContact C-N 3.31Å; P299-V301 PolarHBondContact O-N 2.88Å; P299-Y302 WeakPolarHBondContact O-CB 3.48Å; P299-Y302 PolarHBondContact O-N 2.67Å; P299-D303 VanDerWaalsContact O-CG 3.25Å; P299-D303 PolarHBondContact O-N 2.69Å |
| 300 | Q | 75.1 | Confident | 77.7 | Confident | 154 Ų | 154 | 51.7 Ų | 51.7 | 72% | 0.72 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.2 | -36.8 | 179 | -69 | -179 | -12.1 | 0 | 0 | 112.9 | S298 F304 | S298-Q300 VanDerWaalsContact C-N 3.32Å; S298-Q300 PolarHBondContact O-N 3.48Å; Q300-F304 WeakPolarHBondContact O-CD2 3.25Å; Q300-F304 PolarHBondContact O-N 3.02Å |
| 301 | V | 74 | Confident | 77.9 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -43.3 | 177.2 | 175 | 0 | 0 | 0 | 0 | 109.6 | L257 S298 P299 D303 N305 V306 | L257-V301 HydrophobicContact CB-CG1 4.01Å; S298-V301 PolarHBondContact O-N 2.72Å; P299-V301 VanDerWaalsContact C-N 3.31Å; P299-V301 PolarHBondContact O-N 2.88Å; V301-D303 PolarHBondContact O-N 3.42Å; V301-N305 HydrophobicContact CG1-CB 4.16Å; V301-N305 WeakPolarHBondContact O-CA 3.49Å; V301-N305 WeakPolarHBondContact O-CB 3.34Å; V301-N305 PolarHBondContact O-N 3.42Å; V301-V306 PolarHBondContact O-N 2.99Å |
| 302 | Y | 80.6 | Confident | 78 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -57.3 | -50.4 | 174.4 | -179.3 | -111.7 | 0 | 0 | 0 | 111.8 | I294 K295 S298 P299 V306 L307 L359 P360 | I294-Y302 HydrophobicContact CG2-CD2 4.33Å; K295-Y302 HydrophobicContact CB-CD1 3.71Å; K295-Y302 HydrophobicContact CB-CD2 4.29Å; K295-Y302 HydrophobicContact CB-CE1 4.18Å; K295-Y302 HydrophobicContact CB-CG 3.77Å; K295-Y302 HydrophobicContact CD-CD1 3.92Å; K295-Y302 HydrophobicContact CD-CE1 3.9Å; K295-Y302 HydrophobicContact CG-CD1 3.69Å; K295-Y302 HydrophobicContact CG-CE1 4.17Å; K295-Y302 HydrophobicContact CG-CG 4.2Å; S298-Y302 PolarHBondContact O-N 3.48Å; S298-Y302 VanDerWaalsContact O-N 3.08Å; P299-Y302 WeakPolarHBondContact O-CB 3.48Å; P299-Y302 PolarHBondContact O-N 2.67Å; Y302-V306 HydrophobicContact CD2-CB 4.4Å; Y302-V306 WeakPolarHBondContact O-CB 3.28Å; Y302-V306 PolarHBondContact O-N 3.42Å; Y302-L307 HydrophobicContact CD1-CD1 3.52Å; Y302-L307 HydrophobicContact CD1-CG 4.45Å; Y302-L307 HydrophobicContact CE1-CD1 3.11Å; Y302-L307 HydrophobicContact CE1-CG 3.98Å; Y302-L307 HydrophobicContact CE2-CD1 4.29Å; Y302-L307 HydrophobicContact CE2-CG 4.33Å; Y302-L307 HydrophobicContact CG-CD1 4.28Å; Y302-L307 WeakPolarHBondContact O-CB 3.41Å; Y302-L307 PolarHBondContact O-N 2.8Å; Y302-L359 HydrophobicContact CE2-CD2 4.28Å; Y302-P360 HydrophobicContact CE1-CG 3.91Å; Y302-P360 WeakPolarHBondContact CE1-O 3.13Å; Y302-P360 HydrophobicContact CE2-CG 4.49Å; Y302-P360 WeakPolarHBondContact OH-CD 3.45Å; Y302-P360 PolarHBondContact OH-O 2.96Å |
| 303 | D | 78.8 | Confident | 78.1 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -67.2 | -51.3 | -175 | -66.9 | -24.5 | 0 | 0 | 0 | 112.9 | P299 V301 L307 K308 S362 A364 | P299-D303 VanDerWaalsContact O-CG 3.25Å; P299-D303 PolarHBondContact O-N 2.69Å; V301-D303 PolarHBondContact O-N 3.42Å; D303-L307 WeakPolarHBondContact O-CB 3.44Å; D303-K308 PolarHBondContact O-N 3.5Å; D303-S362 VanDerWaalsContact OD1-CB 3.24Å; D303-S362 WeakPolarHBondContact OD1-CB 3.32Å; D303-S362 PolarHBondContact OD1-OG 3.48Å; D303-S362 PolarHBondContact OD2-OG 2.83Å; D303-A364 HydrophobicContact CB-CB 4.05Å |
| 304 | F | 76.8 | Confident | 78.4 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 39% | 0.386 | 20% | 0.202 | S | C | . | . | I | π-helix | trans | -90.9 | -30 | -172.6 | -68.6 | -73.3 | 0 | 0 | 0 | 114.2 | Q300 A364 | Q300-F304 WeakPolarHBondContact O-CD2 3.25Å; Q300-F304 PolarHBondContact O-N 3.02Å; F304-A364 HydrophobicContact CZ-CB 4.47Å |
| 305 | N | 75.5 | Confident | 78.5 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -103.2 | -20.2 | -171.4 | -60.3 | -18.2 | 0 | 0 | 0 | 113.4 | S261 M264 V301 P309 | S261-N305 WeakPolarHBondContact CB-ND2 3.28Å; S261-N305 WeakPolarHBondContact O-CB 3.2Å; S261-N305 PolarHBondContact O-OD1 3.48Å; M264-N305 WeakPolarHBondContact CB-O 3.35Å; V301-N305 HydrophobicContact CG1-CB 4.16Å; V301-N305 WeakPolarHBondContact O-CA 3.49Å; V301-N305 WeakPolarHBondContact O-CB 3.34Å; V301-N305 PolarHBondContact O-N 3.42Å; N305-P309 WeakPolarHBondContact O-CG 3.28Å |
| 306 | V | 78.8 | Confident | 78.3 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -111.1 | -56.5 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | L257 M264 I287 V301 Y302 V310 | L257-V306 HydrophobicContact CD1-CG2 3.42Å; L257-V306 VanDerWaalsContact CD1-CG2 3.42Å; L257-V306 HydrophobicContact CD2-CG2 4.09Å; L257-V306 HydrophobicContact CG-CG2 4.41Å; M264-V306 HydrophobicContact CE-CG1 3.66Å; I287-V306 HydrophobicContact CG2-CG1 3.84Å; V301-V306 PolarHBondContact O-N 2.99Å; Y302-V306 HydrophobicContact CD2-CB 4.4Å; Y302-V306 WeakPolarHBondContact O-CB 3.28Å; Y302-V306 PolarHBondContact O-N 3.42Å; V306-V310 VanDerWaalsContact O-CG2 3.3Å; V306-V310 WeakPolarHBondContact O-CG2 3.18Å |
| 307 | L | 83.5 | Confident | 78 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -68.5 | -57 | -174.1 | -92.8 | 163 | 0 | 0 | 0 | 113.1 | Y302 D303 V310 I311 L385 | Y302-L307 HydrophobicContact CD1-CD1 3.52Å; Y302-L307 HydrophobicContact CD1-CG 4.45Å; Y302-L307 HydrophobicContact CE1-CD1 3.11Å; Y302-L307 HydrophobicContact CE1-CG 3.98Å; Y302-L307 HydrophobicContact CE2-CD1 4.29Å; Y302-L307 HydrophobicContact CE2-CG 4.33Å; Y302-L307 HydrophobicContact CG-CD1 4.28Å; Y302-L307 WeakPolarHBondContact O-CB 3.41Å; Y302-L307 PolarHBondContact O-N 2.8Å; D303-L307 WeakPolarHBondContact O-CB 3.44Å; L307-V310 PolarHBondContact O-N 2.81Å; L307-V310 VanDerWaalsContact O-N 3.09Å; L307-I311 HydrophobicContact CB-CD1 4.38Å; L307-I311 HydrophobicContact CD2-CD1 3.8Å; L307-I311 HydrophobicContact CD2-CG1 4.38Å; L307-I311 WeakPolarHBondContact O-CG1 3.42Å; L307-I311 PolarHBondContact O-N 3.01Å; L307-L385 HydrophobicContact CD2-CD1 3.35Å; L307-L385 HydrophobicContact CD2-CD2 3.27Å; L307-L385 HydrophobicContact CD2-CG 3.86Å |
| 308 | K | 82.3 | Confident | 77.9 | Confident | 68 Ų | 68 | 28 Ų | 28 | 30% | 0.296 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -47.8 | -53.6 | -178 | 179.3 | 173.6 | -177.3 | 175 | 0 | 113.6 | W265 D303 V310 I311 Q312 V368 | W265-K308 HydrophobicContact CZ2-CG 4.31Å; D303-K308 PolarHBondContact O-N 3.5Å; K308-V310 PolarHBondContact O-N 2.72Å; K308-I311 PolarHBondContact O-N 3.41Å; K308-Q312 WeakPolarHBondContact O-CB 3.32Å; K308-Q312 PolarHBondContact O-N 3.02Å; K308-V368 HydrophobicContact CB-CG1 4.06Å; K308-V368 HydrophobicContact CB-CG2 3.97Å; K308-V368 HydrophobicContact CG-CG1 4.08Å; K308-V368 HydrophobicContact CG-CG2 4.3Å |
| 309 | P | 79.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 177 | 4.3 | -15.5 | 0 | 0 | 0 | 114.4 | M264 W265 L268 N305 Q312 L313 | M264-P309 HydrophobicContact CB-CB 4.49Å; M264-P309 HydrophobicContact CB-CG 3.95Å; M264-P309 HydrophobicContact CG-CB 3.99Å; M264-P309 HydrophobicContact CG-CG 3.75Å; W265-P309 HydrophobicContact CD2-CB 3.58Å; W265-P309 HydrophobicContact CD2-CG 4.09Å; W265-P309 VanDerWaalsContact CE2-CB 3.42Å; W265-P309 HydrophobicContact CE3-CB 3.94Å; W265-P309 HydrophobicContact CG-CB 4.04Å; W265-P309 HydrophobicContact CG-CG 4.26Å; W265-P309 HydrophobicContact CH2-CB 3.88Å; W265-P309 HydrophobicContact CZ2-CB 3.62Å; W265-P309 HydrophobicContact CZ2-CG 3.9Å; W265-P309 HydrophobicContact CZ3-CB 4.03Å; L268-P309 HydrophobicContact CD1-CB 3.74Å; L268-P309 WeakPolarHBondContact CD1-O 3.46Å; N305-P309 WeakPolarHBondContact O-CG 3.28Å; P309-Q312 PolarHBondContact O-N 3.36Å; P309-L313 PolarHBondContact O-N 2.97Å |
| 310 | V | 83.5 | Confident | 76.8 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -48.3 | -177.6 | 167.2 | 0 | 0 | 0 | 0 | 110.3 | M264 L268 F288 V306 L307 K308 Q312 L313 M314 F347 F356 | M264-V310 HydrophobicContact CE-CG2 3.99Å; M264-V310 HydrophobicContact CG-CG2 3.85Å; M264-V310 HydrophobicContact SD-CG2 3.73Å; L268-V310 HydrophobicContact CD1-CG2 4.38Å; F288-V310 HydrophobicContact CE1-CG1 4.38Å; F288-V310 HydrophobicContact CE1-CG2 4.12Å; F288-V310 HydrophobicContact CZ-CG1 3.94Å; F288-V310 HydrophobicContact CZ-CG2 4.16Å; V306-V310 VanDerWaalsContact O-CG2 3.3Å; V306-V310 WeakPolarHBondContact O-CG2 3.18Å; L307-V310 PolarHBondContact O-N 2.81Å; L307-V310 VanDerWaalsContact O-N 3.09Å; K308-V310 PolarHBondContact O-N 2.72Å; V310-Q312 VanDerWaalsContact C-N 3.33Å; V310-Q312 PolarHBondContact O-N 2.97Å; V310-L313 PolarHBondContact O-N 3.24Å; V310-M314 HydrophobicContact CG1-CG 4.44Å; V310-M314 HydrophobicContact CG1-SD 3.69Å; V310-M314 WeakPolarHBondContact O-CB 3.31Å; V310-M314 WeakPolarHBondContact O-CG 3.47Å; V310-M314 PolarHBondContact O-N 3.05Å; V310-F347 HydrophobicContact CG1-CZ 4.26Å; V310-F356 HydrophobicContact CG1-CE2 4.17Å |
| 311 | I | 82.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 177.7 | -67.7 | 173.5 | 0 | 0 | 0 | 110.2 | L307 K308 M314 L315 L365 V368 L369 L385 L389 | L307-I311 HydrophobicContact CB-CD1 4.38Å; L307-I311 HydrophobicContact CD2-CD1 3.8Å; L307-I311 HydrophobicContact CD2-CG1 4.38Å; L307-I311 WeakPolarHBondContact O-CG1 3.42Å; L307-I311 PolarHBondContact O-N 3.01Å; K308-I311 PolarHBondContact O-N 3.41Å; I311-M314 PolarHBondContact O-N 3.38Å; I311-L315 HydrophobicContact CG2-CD1 3.59Å; I311-L315 HydrophobicContact CG2-CG 4.16Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.8Å; I311-L365 HydrophobicContact CD1-CD1 3.85Å; I311-V368 HydrophobicContact CB-CG1 4.3Å; I311-V368 HydrophobicContact CD1-CG1 4.15Å; I311-V368 HydrophobicContact CG2-CG1 4.19Å; I311-L369 HydrophobicContact CG2-CD2 3.68Å; I311-L369 HydrophobicContact CG2-CG 4.43Å; I311-L385 HydrophobicContact CD1-CD1 4.16Å; I311-L389 HydrophobicContact CD1-CD2 4.2Å; I311-L389 HydrophobicContact CG1-CD1 4.49Å; I311-L389 HydrophobicContact CG1-CD2 4.18Å; I311-L389 HydrophobicContact CG2-CD2 4.2Å |
| 312 | Q | 79.7 | Confident | 74.4 | Confident | 24 Ų | 24 | 23 Ų | 23 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 179.4 | -166.5 | -170.1 | -13.1 | 0 | 0 | 111.7 | K308 P309 V310 M314 L315 T316 T318 D320 | K308-Q312 WeakPolarHBondContact O-CB 3.32Å; K308-Q312 PolarHBondContact O-N 3.02Å; P309-Q312 PolarHBondContact O-N 3.36Å; V310-Q312 VanDerWaalsContact C-N 3.33Å; V310-Q312 PolarHBondContact O-N 2.97Å; Q312-M314 VanDerWaalsContact C-N 3.32Å; Q312-M314 PolarHBondContact O-N 3.49Å; Q312-L315 PolarHBondContact O-N 3.05Å; Q312-T316 HydrophobicContact CG-CG2 4.32Å; Q312-T316 WeakPolarHBondContact O-CB 3.14Å; Q312-T316 PolarHBondContact O-N 3.31Å; Q312-T316 PolarHBondContact O-OG1 3.24Å; Q312-T318 CarbonylContact C-O 3.58Å; Q312-T318 VanDerWaalsContact C-O 3.29Å; Q312-T318 WeakPolarHBondContact CG-O 3.47Å; Q312-D320 VanDerWaalsContact CD-CG 3.41Å; Q312-D320 VanDerWaalsContact CD-N 3.26Å; Q312-D320 PolarHBondContact NE2-OD1 3.13Å; Q312-D320 PolarHBondContact OE1-OD2 3.5Å |
| 313 | L | 79.9 | Confident | 72.2 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.8 | 179 | 68.2 | 0 | 0 | 0 | 111.5 | L268 P309 V310 G317 T318 V319 F339 W344 F347 | L268-L313 HydrophobicContact CB-CD2 4.12Å; L268-L313 HydrophobicContact CD1-CB 4.03Å; L268-L313 HydrophobicContact CD1-CD2 4.09Å; L268-L313 HydrophobicContact CD2-CD2 3.59Å; L268-L313 HydrophobicContact CG-CD2 4.12Å; P309-L313 PolarHBondContact O-N 2.97Å; V310-L313 PolarHBondContact O-N 3.24Å; L313-G317 WeakPolarHBondContact O-CA 3.35Å; L313-G317 PolarHBondContact O-N 3.32Å; L313-T318 VanDerWaalsContact CA-O 3.3Å; L313-T318 WeakPolarHBondContact CA-O 3.45Å; L313-T318 PolarHBondContact N-O 3.47Å; L313-V319 HydrophobicContact CB-CG2 3.8Å; L313-V319 HydrophobicContact CD1-CG2 3.83Å; L313-V319 HydrophobicContact CG-CG2 4.3Å; L313-F339 HydrophobicContact CD1-CD2 3.26Å; L313-F339 HydrophobicContact CD1-CE2 3.41Å; L313-F339 VanDerWaalsContact CD1-CE2 3.41Å; L313-F339 HydrophobicContact CD1-CG 4.24Å; L313-F339 HydrophobicContact CD1-CZ 4.46Å; L313-W344 PolarHBondContact O-NE1 3.02Å; L313-F347 HydrophobicContact CD2-CD1 4Å; L313-F347 HydrophobicContact CD2-CD2 4.08Å; L313-F347 HydrophobicContact CD2-CE1 4.21Å; L313-F347 HydrophobicContact CD2-CE2 4.27Å; L313-F347 HydrophobicContact CD2-CG 3.94Å; L313-F347 HydrophobicContact CD2-CZ 4.34Å |
| 314 | M | 79.5 | Confident | 70 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.5 | -53.7 | 177.2 | -75.5 | 170.5 | 62.7 | 0 | 0 | 110.9 | V310 I311 Q312 W344 F347 I348 L352 F356 L389 V415 L419 | V310-M314 HydrophobicContact CG1-CG 4.44Å; V310-M314 HydrophobicContact CG1-SD 3.69Å; V310-M314 WeakPolarHBondContact O-CB 3.31Å; V310-M314 WeakPolarHBondContact O-CG 3.47Å; V310-M314 PolarHBondContact O-N 3.05Å; I311-M314 PolarHBondContact O-N 3.38Å; Q312-M314 VanDerWaalsContact C-N 3.32Å; Q312-M314 PolarHBondContact O-N 3.49Å; M314-W344 PolarHBondContact O-NE1 3.21Å; M314-F347 HydrophobicContact CG-CE1 3.7Å; M314-F347 HydrophobicContact CG-CZ 4.44Å; M314-I348 HydrophobicContact CG-CD1 4.45Å; M314-L352 HydrophobicContact CE-CD1 3.86Å; M314-L352 HydrophobicContact CE-CD2 3.61Å; M314-L352 HydrophobicContact CE-CG 4.39Å; M314-L352 HydrophobicContact SD-CD2 3.77Å; M314-F356 HydrophobicContact CE-CE1 4.34Å; M314-F356 HydrophobicContact CE-CE2 4.41Å; M314-F356 HydrophobicContact CE-CZ 3.8Å; M314-F356 HydrophobicContact SD-CE2 3.92Å; M314-F356 HydrophobicContact SD-CZ 3.78Å; M314-L389 HydrophobicContact CE-CD1 4.2Å; M314-V415 HydrophobicContact CB-CG1 4.46Å; M314-V415 HydrophobicContact CB-CG2 4.32Å; M314-V415 HydrophobicContact CE-CG1 3.56Å; M314-V415 WeakPolarHBondContact O-CG2 3.46Å; M314-L419 HydrophobicContact CE-CD1 4.15Å; M314-L419 HydrophobicContact CE-CD2 4.3Å |
| 315 | L | 76.9 | Confident | 67.9 | Low | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.2 | -35.9 | -168.6 | -63.9 | -177.9 | 0 | 0 | 0 | 114.2 | I311 Q312 L369 L393 K412 | I311-L315 HydrophobicContact CG2-CD1 3.59Å; I311-L315 HydrophobicContact CG2-CG 4.16Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.8Å; Q312-L315 PolarHBondContact O-N 3.05Å; L315-L369 HydrophobicContact CD1-CD2 3.35Å; L315-L393 HydrophobicContact CD2-CD1 4.11Å; L315-L393 HydrophobicContact CD2-CD2 3.42Å; L315-L393 VanDerWaalsContact CD2-CD2 3.42Å; L315-L393 HydrophobicContact CD2-CG 4.01Å; L315-K412 HydrophobicContact CD2-CG 4.41Å |
| 316 | T | 74.2 | Confident | 65.6 | Low | 42 Ų | 42 | 35.5 Ų | 35.5 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -104.7 | -17.6 | -175.5 | 68.6 | 0 | 0 | 0 | 0 | 112 | Q312 T318 R411 | Q312-T316 HydrophobicContact CG-CG2 4.32Å; Q312-T316 WeakPolarHBondContact O-CB 3.14Å; Q312-T316 PolarHBondContact O-N 3.31Å; Q312-T316 PolarHBondContact O-OG1 3.24Å; T316-T318 WeakPolarHBondContact CB-OG1 3.43Å; T316-T318 PolarHBondContact O-N 2.89Å; T316-T318 WeakPolarHBondContact OG1-CA 3.44Å; T316-T318 WeakPolarHBondContact OG1-CB 3.27Å; T316-T318 PolarHBondContact OG1-N 3.18Å; T316-T318 PolarHBondContact OG1-O 3.41Å; T316-T318 VanDerWaalsContact OG1-O 3.05Å; T316-T318 PolarHBondContact OG1-OG1 2.93Å; T316-R411 PolarHBondContact O-NH1 3.04Å |
| 317 | G | 70.9 | Confident | 63.1 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 58.4 | 20.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L313 F339 R411 | L313-G317 WeakPolarHBondContact O-CA 3.35Å; L313-G317 PolarHBondContact O-N 3.32Å; G317-F339 PolarHBondContact O-N 3.19Å; G317-R411 VanDerWaalsContact CA-NH1 3.32Å |
| 318 | T | 72.6 | Confident | 60.4 | Low | 22 Ų | 22 | 38.9 Ų | 38.9 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 160.2 | 176.1 | 74.4 | 0 | 0 | 0 | 0 | 110.4 | Q312 L313 T316 K337 | Q312-T318 CarbonylContact C-O 3.58Å; Q312-T318 VanDerWaalsContact C-O 3.29Å; Q312-T318 WeakPolarHBondContact CG-O 3.47Å; L313-T318 VanDerWaalsContact CA-O 3.3Å; L313-T318 WeakPolarHBondContact CA-O 3.45Å; L313-T318 PolarHBondContact N-O 3.47Å; T316-T318 WeakPolarHBondContact CB-OG1 3.43Å; T316-T318 PolarHBondContact O-N 2.89Å; T316-T318 WeakPolarHBondContact OG1-CA 3.44Å; T316-T318 WeakPolarHBondContact OG1-CB 3.27Å; T316-T318 PolarHBondContact OG1-N 3.18Å; T316-T318 PolarHBondContact OG1-O 3.41Å; T316-T318 VanDerWaalsContact OG1-O 3.05Å; T316-T318 PolarHBondContact OG1-OG1 2.93Å; T318-K337 WeakPolarHBondContact CA-O 3.41Å; T318-K337 WeakPolarHBondContact CB-O 3.2Å |
| 319 | V | 65.7 | Low | 57.8 | Low | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 117.8 | -175.6 | 155.5 | 0 | 0 | 0 | 0 | 105.7 | W265 L268 L269 L313 C321 F339 | W265-V319 HydrophobicContact CD2-CG1 4.44Å; W265-V319 HydrophobicContact CE3-CB 4.2Å; W265-V319 HydrophobicContact CE3-CG1 3.16Å; W265-V319 HydrophobicContact CZ3-CB 3.89Å; W265-V319 HydrophobicContact CZ3-CG1 3.33Å; W265-V319 HydrophobicContact CZ3-CG2 4.29Å; L268-V319 HydrophobicContact CB-CG2 4.4Å; L268-V319 HydrophobicContact CD1-CG2 4.35Å; L269-V319 HydrophobicContact CG-CG1 4.49Å; L313-V319 HydrophobicContact CB-CG2 3.8Å; L313-V319 HydrophobicContact CD1-CG2 3.83Å; L313-V319 HydrophobicContact CG-CG2 4.3Å; V319-C321 PolarHBondContact O-N 3.14Å; V319-F339 HydrophobicContact CB-CE2 3.95Å; V319-F339 HydrophobicContact CB-CZ 4.5Å; V319-F339 HydrophobicContact CG2-CE2 3.64Å; V319-F339 HydrophobicContact CG2-CZ 4.29Å |
| 320 | D | 62.1 | Low | 55.3 | Low | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 113.3 | 174.1 | -78.6 | -15.1 | 0 | 0 | 0 | 108.6 | W265 Q312 P322 | W265-D320 VanDerWaalsContact CE3-O 3.28Å; W265-D320 HydrophobicContact CH2-CB 4.05Å; W265-D320 HydrophobicContact CZ3-CB 4.26Å; W265-D320 VanDerWaalsContact CZ3-N 3.29Å; W265-D320 WeakPolarHBondContact CZ3-O 3.4Å; Q312-D320 VanDerWaalsContact CD-CG 3.41Å; Q312-D320 VanDerWaalsContact CD-N 3.26Å; Q312-D320 PolarHBondContact NE2-OD1 3.13Å; Q312-D320 PolarHBondContact OE1-OD2 3.5Å; D320-P322 WeakPolarHBondContact O-CD 3.43Å |
| 321 | C | 52.4 | Low | 52.6 | Low | 27 Ų | 27 | 47.5 Ų | 47.5 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | trans | -113.9 | 89.7 | 173.4 | -169.8 | 0 | 0 | 0 | 0 | 106.2 | H233 V319 M323 T335 | H233-C321 VanDerWaalsContact CB-SG 3.51Å; V319-C321 PolarHBondContact O-N 3.14Å; C321-M323 PolarHBondContact O-N 3.45Å; C321-T335 PolarHBondContact N-O 3.11Å; C321-T335 VanDerWaalsContact N-O 3.15Å | ||
| 322 | P | 45.9 | Very low | 50.2 | Low | 76 Ų | 76 | 54.9 Ų | 54.9 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | trans | -50.7 | 108.7 | 171.8 | 14 | -29.3 | 0 | 0 | 0 | 109.4 | H233 D320 S324 | H233-P322 WeakPolarHBondContact CD2-CD 3.31Å; H233-P322 VanDerWaalsContact CD2-CG 3.44Å; H233-P322 WeakPolarHBondContact CD2-CG 3.32Å; H233-P322 WeakPolarHBondContact NE2-CD 3.34Å; H233-P322 WeakPolarHBondContact NE2-CG 3.1Å; D320-P322 WeakPolarHBondContact O-CD 3.43Å; P322-S324 VanDerWaalsContact C-N 3.29Å; P322-S324 PolarHBondContact O-N 3.46Å | ||
| 323 | M | 34.2 | Very low | 47.9 | Very low | 135 Ų | 135 | 62.4 Ų | 62.4 | 67% | 0.665 | 34% | 0.342 | S | S | * | . | trans | -56.4 | 89.8 | 179.6 | -93.6 | -79.8 | -80.1 | 0 | 0 | 109.3 | C321 | C321-M323 PolarHBondContact O-N 3.45Š| ||
| 324 | S | 34.4 | Very low | 45.8 | Very low | 44 Ų | 44 | 65.2 Ų | 65.2 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -130 | 89.6 | 163 | 63 | 0 | 0 | 0 | 0 | 107.3 | R232 P322 | R232-S324 WeakPolarHBondContact CD-O 3.23Å; R232-S324 WeakPolarHBondContact CD-OG 3.32Å; R232-S324 WeakPolarHBondContact CG-OG 3.48Å; R232-S324 PolarHBondContact NE-OG 3.48Å; R232-S324 PolarHBondContact NH1-O 3.17Å; P322-S324 VanDerWaalsContact C-N 3.29Å; P322-S324 PolarHBondContact O-N 3.46Å |
| 325 | K | 30.9 | Very low | 43.9 | Very low | 118 Ų | 118 | 69.1 Ų | 69.1 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | trans | 57.3 | 63.9 | 172.9 | -51.5 | -179.7 | 166.6 | -170.5 | 0 | 115.1 | S327 Q1787 | K325-S327 PolarHBondContact O-N 3.31Å; K325-S327 VanDerWaalsContact O-N 3.16Å; K325-Q1787 VanDerWaalsContact CD-OE1 3.25Å; K325-Q1787 VanDerWaalsContact NZ-NE2 3.19Å | ||
| 326 | M | 28.4 | Very low | 42.3 | Very low | 100 Ų | 100 | 70.8 Ų | 70.8 | 49% | 0.493 | 40% | 0.397 | S | S | . | . | trans | -66.6 | 100.8 | 132.9 | -109.9 | -178.3 | 174.9 | 0 | 0 | 104.9 | C328 | M326-C328 PolarHBondContact O-N 2.95Š| ||
| 327 | S | 26.8 | Very low | 41 | Very low | 50 Ų | 50 | 72.1 Ų | 72.1 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | trans | -52.5 | 116.4 | 172.3 | 43 | 0 | 0 | 0 | 0 | 108.2 | K325 Q1787 | K325-S327 PolarHBondContact O-N 3.31Å; K325-S327 VanDerWaalsContact O-N 3.16Å; S327-Q1787 WeakPolarHBondContact CB-O 3.42Å | ||
| 328 | C | 26.4 | Very low | 40 | Very low | 30 Ų | 30 | 76.5 Ų | 76.5 | 20% | 0.203 | 43% | 0.43 | C | S | . | . | S | Bend | trans | 77.4 | 117.7 | 159.5 | -85.8 | 0 | 0 | 0 | 0 | 120.5 | M326 K1782 I1785 | M326-C328 PolarHBondContact O-N 2.95Å; C328-K1782 VanDerWaalsContact CB-CE 3.49Å; C328-K1782 VanDerWaalsContact SG-CE 3.57Å; C328-K1782 PolarHBondContact SG-NZ 3.25Å; C328-I1785 PolarHBondContact SG-O 2.98Å |
| 329 | S | 28.3 | Very low | 39.1 | Very low | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | trans | 87.4 | 16.5 | 144.8 | 48.4 | 0 | 0 | 0 | 0 | 124 | K1782 | S329-K1782 WeakPolarHBondContact OG-CE 3.31Š| ||
| 330 | C | 25.6 | Very low | 38.7 | Very low | 94 Ų | 94 | 81.7 Ų | 81.7 | 64% | 0.635 | 45% | 0.452 | S | S | * | . | trans | -107.4 | 90.1 | 159.1 | -68 | 0 | 0 | 0 | 0 | 109.9 | F332 | C330-F332 PolarHBondContact O-N 3.22Š| ||
| 331 | N | 27.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 83.2 Ų | 83.2 | 64% | 0.642 | 46% | 0.46 | S | S | * | . | trans | -71.9 | 37.6 | 163.7 | -83.4 | -1.1 | 0 | 0 | 0 | 111.5 | L333 | N331-L333 PolarHBondContact O-N 2.63Š| ||
| 332 | F | 31.8 | Very low | 38.5 | Very low | 158 Ų | 158 | 85.6 Ų | 85.6 | 69% | 0.693 | 47% | 0.474 | S | S | * | . | trans | -83.9 | 106.9 | 158.9 | -82.1 | -76.8 | 0 | 0 | 0 | 105.8 | C330 S334 | C330-F332 PolarHBondContact O-N 3.22Å; F332-S334 PolarHBondContact O-N 3.19Å | ||
| 333 | L | 31.4 | Very low | 39.4 | Very low | 182 Ų | 182 | 82.1 Ų | 82.1 | 95% | 0.953 | 45% | 0.452 | S | S | * | . | trans | -55.8 | 9.3 | 171.9 | -82.8 | 145 | 0 | 0 | 0 | 113.9 | N331 | N331-L333 PolarHBondContact O-N 2.63Š| ||
| 334 | S | 35.8 | Very low | 41.4 | Very low | 63 Ų | 63 | 75.9 Ų | 75.9 | 44% | 0.441 | 42% | 0.421 | S | S | . | . | trans | -96.2 | 112.7 | 178.6 | 66.4 | 0 | 0 | 0 | 0 | 110.4 | F332 T336 | F332-S334 PolarHBondContact O-N 3.19Å; S334-T336 PolarHBondContact O-N 3.42Å; S334-T336 PolarHBondContact OG-O 3.01Å | ||
| 335 | T | 40.3 | Very low | 43.2 | Very low | 83 Ų | 83 | 76.1 Ų | 76.1 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -60.8 | -0.1 | 168.4 | 41.4 | 0 | 0 | 0 | 0 | 114.1 | C321 | C321-T335 PolarHBondContact N-O 3.11Å; C321-T335 VanDerWaalsContact N-O 3.15Å |
| 336 | T | 43.4 | Very low | 45 | Very low | 47 Ų | 47 | 73.5 Ų | 73.5 | 29% | 0.288 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.9 | -175.2 | 45.9 | 0 | 0 | 0 | 0 | 110.6 | S334 | S334-T336 PolarHBondContact O-N 3.42Å; S334-T336 PolarHBondContact OG-O 3.01Å |
| 337 | K | 46.5 | Very low | 47.5 | Very low | 69 Ų | 69 | 68.7 Ų | 68.7 | 30% | 0.3 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.5 | 166.3 | -88.9 | -172 | 175.9 | -176 | 0 | 109.9 | L269 Y273 T318 | L269-K337 HydrophobicContact CD2-CD 3.98Å; Y273-K337 PolarHBondContact OH-NZ 3.37Å; T318-K337 WeakPolarHBondContact CA-O 3.41Å; T318-K337 WeakPolarHBondContact CB-O 3.2Å |
| 338 | S | 50.1 | Low | 50 | Low | 93 Ų | 93 | 66.4 Ų | 66.4 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.3 | 166.6 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 339 | F | 53.7 | Low | 52.3 | Low | 16 Ų | 16 | 69.1 Ų | 69.1 | 7% | 0.07 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 148.7 | 173.8 | -69.3 | -79 | 0 | 0 | 0 | 111.4 | L269 L313 G317 V319 | L269-F339 HydrophobicContact CD2-CZ 4.04Å; L313-F339 HydrophobicContact CD1-CD2 3.26Å; L313-F339 HydrophobicContact CD1-CE2 3.41Å; L313-F339 VanDerWaalsContact CD1-CE2 3.41Å; L313-F339 HydrophobicContact CD1-CG 4.24Å; L313-F339 HydrophobicContact CD1-CZ 4.46Å; G317-F339 PolarHBondContact O-N 3.19Å; V319-F339 HydrophobicContact CB-CE2 3.95Å; V319-F339 HydrophobicContact CB-CZ 4.5Å; V319-F339 HydrophobicContact CG2-CE2 3.64Å; V319-F339 HydrophobicContact CG2-CZ 4.29Å |
| 340 | Q | 56.4 | Low | 54.7 | Low | 115 Ų | 115 | 68.6 Ų | 68.6 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.7 | 169.6 | -72.3 | -176.4 | -17.2 | 0 | 0 | 109.1 | T342 S343 W344 | Q340-T342 PolarHBondContact O-N 3.38Å; Q340-T342 VanDerWaalsContact O-N 3.1Å; Q340-S343 PolarHBondContact O-N 2.87Å; Q340-S343 PolarHBondContact O-OG 3.5Å; Q340-W344 PolarHBondContact O-N 3.33Å |
| 341 | N | 56.1 | Low | 57.3 | Low | 90 Ų | 90 | 64.1 Ų | 64.1 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -51.5 | -39.8 | -175.2 | -75.5 | -10.6 | 0 | 0 | 0 | 112.7 | S343 W344 D345 R411 | N341-S343 VanDerWaalsContact C-N 3.32Å; N341-S343 PolarHBondContact O-N 2.66Å; N341-W344 PolarHBondContact O-N 2.98Å; N341-D345 WeakPolarHBondContact O-CB 3.48Å; N341-D345 PolarHBondContact O-N 2.91Å; N341-R411 PolarHBondContact OD1-NH2 3.39Å |
| 342 | T | 54.5 | Low | 60 | Low | 77 Ų | 77 | 58.4 Ų | 58.4 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | Q340 N346 | Q340-T342 PolarHBondContact O-N 3.38Å; Q340-T342 VanDerWaalsContact O-N 3.1Å; T342-N346 VanDerWaalsContact O-CG 3.31Å; T342-N346 PolarHBondContact O-N 2.89Å; T342-N346 VanDerWaalsContact O-N 3.15Å; T342-N346 PolarHBondContact O-ND2 3.47Å |
| 343 | S | 66.1 | Low | 62.4 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.6 | -34.5 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | Q340 N341 F347 | Q340-S343 PolarHBondContact O-N 2.87Å; Q340-S343 PolarHBondContact O-OG 3.5Å; N341-S343 VanDerWaalsContact C-N 3.32Å; N341-S343 PolarHBondContact O-N 2.66Å; S343-F347 PolarHBondContact O-N 2.74Å |
| 344 | W | 75.7 | Confident | 64.4 | Low | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 171.4 | -179.8 | 88.7 | 0 | 0 | 0 | 110.8 | L313 M314 Q340 N341 N346 F347 I348 R411 L414 V415 | L313-W344 PolarHBondContact O-NE1 3.02Å; M314-W344 PolarHBondContact O-NE1 3.21Å; Q340-W344 PolarHBondContact O-N 3.33Å; N341-W344 PolarHBondContact O-N 2.98Å; W344-N346 VanDerWaalsContact C-N 3.28Å; W344-N346 PolarHBondContact O-N 3.06Å; W344-F347 WeakPolarHBondContact O-CB 3.18Å; W344-F347 PolarHBondContact O-N 3.28Å; W344-I348 HydrophobicContact CD2-CD1 4.48Å; W344-I348 HydrophobicContact CD2-CG1 3.72Å; W344-I348 HydrophobicContact CE3-CG1 3.88Å; W344-I348 HydrophobicContact CG-CG1 4.39Å; W344-I348 HydrophobicContact CH2-CD1 4.27Å; W344-I348 HydrophobicContact CH2-CG1 3.82Å; W344-I348 HydrophobicContact CZ2-CD1 3.77Å; W344-I348 HydrophobicContact CZ2-CG1 3.66Å; W344-I348 HydrophobicContact CZ3-CG1 3.93Å; W344-I348 WeakPolarHBondContact O-CG1 3.3Å; W344-I348 PolarHBondContact O-N 3.35Å; W344-R411 HydrophobicContact CH2-CB 4.2Å; W344-R411 HydrophobicContact CH2-CG 4.07Å; W344-R411 HydrophobicContact CZ2-CB 3.89Å; W344-R411 HydrophobicContact CZ2-CG 3.91Å; W344-L414 HydrophobicContact CH2-CB 3.75Å; W344-L414 HydrophobicContact CH2-CD1 4.05Å; W344-L414 HydrophobicContact CZ3-CB 4.32Å; W344-L414 HydrophobicContact CZ3-CD1 3.89Å; W344-V415 HydrophobicContact CH2-CG2 4.26Å; W344-V415 HydrophobicContact CZ2-CG2 3.7Å |
| 345 | D | 71.6 | Confident | 66.4 | Low | 50 Ų | 50 | 48.6 Ų | 48.6 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -39.6 | 176 | -70.1 | -31.8 | 0 | 0 | 0 | 112.1 | N341 I348 H349 | N341-D345 WeakPolarHBondContact O-CB 3.48Å; N341-D345 PolarHBondContact O-N 2.91Å; D345-I348 PolarHBondContact O-N 3.45Å; D345-H349 WeakPolarHBondContact O-CB 3.48Å; D345-H349 PolarHBondContact O-N 3.19Å; D345-H349 PolarHBondContact O-ND1 3.42Å; D345-H349 VanDerWaalsContact O-ND1 3.1Å |
| 346 | N | 68.9 | Low | 68.3 | Low | 62 Ų | 62 | 44.6 Ų | 44.6 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -41.8 | 175.2 | -80.1 | -25.8 | 0 | 0 | 0 | 112.3 | T342 W344 S350 | T342-N346 VanDerWaalsContact O-CG 3.31Å; T342-N346 PolarHBondContact O-N 2.89Å; T342-N346 VanDerWaalsContact O-N 3.15Å; T342-N346 PolarHBondContact O-ND2 3.47Å; W344-N346 VanDerWaalsContact C-N 3.28Å; W344-N346 PolarHBondContact O-N 3.06Å; N346-S350 WeakPolarHBondContact O-CB 3.33Å; N346-S350 PolarHBondContact O-N 3.49Å; N346-S350 PolarHBondContact O-OG 3.29Å |
| 347 | F | 81 | Confident | 69.9 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -51.2 | 173.5 | 174.3 | -97.1 | 0 | 0 | 0 | 110.9 | L268 V271 I284 V310 L313 M314 S343 W344 H349 S350 C351 | L268-F347 HydrophobicContact CD2-CD2 3.99Å; L268-F347 HydrophobicContact CD2-CE2 3.49Å; L268-F347 VanDerWaalsContact CD2-CE2 3.49Å; L268-F347 HydrophobicContact CD2-CZ 4.15Å; V271-F347 HydrophobicContact CG1-CB 3.86Å; V271-F347 HydrophobicContact CG1-CD2 4.44Å; I284-F347 HydrophobicContact CD1-CD2 4.47Å; I284-F347 HydrophobicContact CD1-CE2 4.23Å; I284-F347 HydrophobicContact CG2-CE2 4.41Å; V310-F347 HydrophobicContact CG1-CZ 4.26Å; L313-F347 HydrophobicContact CD2-CD1 4Å; L313-F347 HydrophobicContact CD2-CD2 4.08Å; L313-F347 HydrophobicContact CD2-CE1 4.21Å; L313-F347 HydrophobicContact CD2-CE2 4.27Å; L313-F347 HydrophobicContact CD2-CG 3.94Å; L313-F347 HydrophobicContact CD2-CZ 4.34Å; M314-F347 HydrophobicContact CG-CE1 3.7Å; M314-F347 HydrophobicContact CG-CZ 4.44Å; S343-F347 PolarHBondContact O-N 2.74Å; W344-F347 WeakPolarHBondContact O-CB 3.18Å; W344-F347 PolarHBondContact O-N 3.28Å; F347-H349 PolarHBondContact O-N 2.94Å; F347-S350 PolarHBondContact O-N 3.01Å; F347-C351 HydrophobicContact CD2-CB 4.03Å; F347-C351 HydrophobicContact CE2-CB 3.74Å; F347-C351 HydrophobicContact CZ-CB 4.04Å; F347-C351 VanDerWaalsContact O-CB 3.31Å; F347-C351 WeakPolarHBondContact O-CB 3.47Å; F347-C351 PolarHBondContact O-N 2.94Å |
| 348 | I | 79.1 | Confident | 71.4 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | -179.1 | -66.7 | -62.2 | 0 | 0 | 0 | 110.9 | M314 W344 D345 L352 V415 R418 | M314-I348 HydrophobicContact CG-CD1 4.45Å; W344-I348 HydrophobicContact CD2-CD1 4.48Å; W344-I348 HydrophobicContact CD2-CG1 3.72Å; W344-I348 HydrophobicContact CE3-CG1 3.88Å; W344-I348 HydrophobicContact CG-CG1 4.39Å; W344-I348 HydrophobicContact CH2-CD1 4.27Å; W344-I348 HydrophobicContact CH2-CG1 3.82Å; W344-I348 HydrophobicContact CZ2-CD1 3.77Å; W344-I348 HydrophobicContact CZ2-CG1 3.66Å; W344-I348 HydrophobicContact CZ3-CG1 3.93Å; W344-I348 WeakPolarHBondContact O-CG1 3.3Å; W344-I348 PolarHBondContact O-N 3.35Å; D345-I348 PolarHBondContact O-N 3.45Å; I348-L352 HydrophobicContact CD1-CD1 3.63Å; I348-L352 HydrophobicContact CD1-CG 4.34Å; I348-L352 HydrophobicContact CG2-CD1 4.19Å; I348-L352 VanDerWaalsContact O-CB 3.31Å; I348-L352 WeakPolarHBondContact O-CB 3.5Å; I348-L352 PolarHBondContact O-N 3.37Å; I348-V415 HydrophobicContact CD1-CG2 3.84Å; I348-R418 HydrophobicContact CG2-CB 4.36Å; I348-R418 HydrophobicContact CG2-CG 4.11Å |
| 349 | H | 74.9 | Confident | 73 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 40% | 0.398 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 178.2 | -88 | 88.3 | 0 | 0 | 0 | 113 | D345 F347 Y450 | D345-H349 WeakPolarHBondContact O-CB 3.48Å; D345-H349 PolarHBondContact O-N 3.19Å; D345-H349 PolarHBondContact O-ND1 3.42Å; D345-H349 VanDerWaalsContact O-ND1 3.1Å; F347-H349 PolarHBondContact O-N 2.94Å; H349-Y450 AromaticContact CE1-CE2 3.65Å; H349-Y450 AromaticContact CE1-CZ 3.33Å; H349-Y450 PolarHBondContact CE1-OH 2.92Å; H349-Y450 AromaticContact NE2-CE2 3.8Å; H349-Y450 AromaticContact NE2-CZ 3.77Å; H349-Y450 PolarHBondContact NE2-OH 3.32Å; H349-Y450 VanDerWaalsContact NE2-OH 3.11Å |
| 350 | S | 77.4 | Confident | 74.2 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -78.5 | -51 | -173.4 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | K285 N346 F347 N353 | K285-S350 WeakPolarHBondContact CE-O 3.47Å; K285-S350 PolarHBondContact NZ-O 3.05Å; K285-S350 VanDerWaalsContact NZ-O 3.1Å; N346-S350 WeakPolarHBondContact O-CB 3.33Å; N346-S350 PolarHBondContact O-N 3.49Å; N346-S350 PolarHBondContact O-OG 3.29Å; F347-S350 PolarHBondContact O-N 3.01Å; S350-N353 PolarHBondContact O-ND2 3.3Å |
| 351 | C | 81 | Confident | 75.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -89.1 | -32.4 | -167.5 | -61 | 0 | 0 | 0 | 0 | 113.6 | I284 F288 F347 N353 | I284-C351 HydrophobicContact CG2-CB 4.4Å; F288-C351 HydrophobicContact CE2-CB 4.06Å; F347-C351 HydrophobicContact CD2-CB 4.03Å; F347-C351 HydrophobicContact CE2-CB 3.74Å; F347-C351 HydrophobicContact CZ-CB 4.04Å; F347-C351 VanDerWaalsContact O-CB 3.31Å; F347-C351 WeakPolarHBondContact O-CB 3.47Å; F347-C351 PolarHBondContact O-N 2.94Å; C351-N353 VanDerWaalsContact C-N 3.31Å; C351-N353 PolarHBondContact O-N 3.23Å |
| 352 | L | 83.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -82.8 | 80 | 173.6 | -54.1 | -174.3 | 0 | 0 | 0 | 110.2 | M314 I348 F356 V415 R418 L419 L422 | M314-L352 HydrophobicContact CE-CD1 3.86Å; M314-L352 HydrophobicContact CE-CD2 3.61Å; M314-L352 HydrophobicContact CE-CG 4.39Å; M314-L352 HydrophobicContact SD-CD2 3.77Å; I348-L352 HydrophobicContact CD1-CD1 3.63Å; I348-L352 HydrophobicContact CD1-CG 4.34Å; I348-L352 HydrophobicContact CG2-CD1 4.19Å; I348-L352 VanDerWaalsContact O-CB 3.31Å; I348-L352 WeakPolarHBondContact O-CB 3.5Å; I348-L352 PolarHBondContact O-N 3.37Å; L352-F356 HydrophobicContact CD2-CD1 4.17Å; L352-F356 HydrophobicContact CD2-CD2 3.55Å; L352-F356 HydrophobicContact CD2-CE1 4.2Å; L352-F356 HydrophobicContact CD2-CE2 3.58Å; L352-F356 HydrophobicContact CD2-CG 3.86Å; L352-F356 HydrophobicContact CD2-CZ 3.92Å; L352-V415 HydrophobicContact CD1-CG1 4.41Å; L352-R418 HydrophobicContact CB-CG 3.8Å; L352-R418 HydrophobicContact CD1-CB 4.38Å; L352-R418 HydrophobicContact CD1-CG 4.05Å; L352-R418 PolarHBondContact O-NE 3.48Å; L352-R418 VanDerWaalsContact O-NE 3.11Å; L352-R418 PolarHBondContact O-NH2 3.07Å; L352-L419 HydrophobicContact CD1-CD2 4.34Å; L352-L419 HydrophobicContact CD2-CD2 4.27Å; L352-L422 HydrophobicContact CB-CD1 4.46Å |
| 353 | N | 81.9 | Confident | 76.8 | Confident | 28 Ų | 28 | 33.8 Ų | 33.8 | 15% | 0.15 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -130.1 | -173.5 | 179 | 68.4 | 45.3 | 0 | 0 | 0 | 110.3 | K285 S350 C351 Q355 F356 | K285-N353 WeakPolarHBondContact CE-ND2 3.26Å; S350-N353 PolarHBondContact O-ND2 3.3Å; C351-N353 VanDerWaalsContact C-N 3.31Å; C351-N353 PolarHBondContact O-N 3.23Å; N353-Q355 PolarHBondContact O-N 3.13Å; N353-Q355 VanDerWaalsContact OD1-CB 3.22Å; N353-Q355 WeakPolarHBondContact OD1-CB 3.46Å; N353-Q355 WeakPolarHBondContact OD1-CG 3.47Å; N353-Q355 PolarHBondContact OD1-N 3.05Å; N353-F356 VanDerWaalsContact O-CB 3.24Å; N353-F356 WeakPolarHBondContact O-CB 3.38Å; N353-F356 PolarHBondContact O-N 2.56Å |
| 354 | N | 74.8 | Confident | 76.8 | Confident | 117 Ų | 117 | 34.7 Ų | 34.7 | 63% | 0.626 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -54.2 | -28.9 | -177.9 | -67.1 | 2.7 | 0 | 0 | 0 | 114.1 | F356 T357 | N354-F356 VanDerWaalsContact C-N 3.29Å; N354-F356 PolarHBondContact O-N 3.01Å; N354-T357 WeakPolarHBondContact O-CB 3.28Å; N354-T357 PolarHBondContact O-N 3.4Å; N354-T357 PolarHBondContact O-OG1 2.92Å |
| 355 | Q | 76.6 | Confident | 76.5 | Confident | 51 Ų | 51 | 34.6 Ų | 34.6 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -66.9 | -31.1 | 176.6 | -59.6 | 174.1 | -17.1 | 0 | 0 | 112.4 | K285 E289 N353 T357 L358 | K285-Q355 VanDerWaalsContact CB-OE1 3.32Å; E289-Q355 HydrophobicContact CG-CG 4.28Å; E289-Q355 PolarHBondContact OE1-NE2 3.18Å; N353-Q355 PolarHBondContact O-N 3.13Å; N353-Q355 VanDerWaalsContact OD1-CB 3.22Å; N353-Q355 WeakPolarHBondContact OD1-CB 3.46Å; N353-Q355 WeakPolarHBondContact OD1-CG 3.47Å; N353-Q355 PolarHBondContact OD1-N 3.05Å; Q355-T357 PolarHBondContact O-N 2.74Å; Q355-L358 PolarHBondContact O-N 3.36Å |
| 356 | F | 81.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -64.4 | -29.1 | 175.8 | -166.6 | -88.3 | 0 | 0 | 0 | 111.9 | F288 V310 M314 L352 N353 N354 L358 L359 L385 L389 L419 | F288-F356 HydrophobicContact CD2-CD2 4.05Å; F288-F356 AromaticContact CE2-CD2 3.63Å; F288-F356 HydrophobicContact CE2-CD2 3.63Å; F288-F356 HydrophobicContact CE2-CE2 4.2Å; F288-F356 HydrophobicContact CZ-CD2 4.04Å; F288-F356 HydrophobicContact CZ-CE2 4.16Å; V310-F356 HydrophobicContact CG1-CE2 4.17Å; M314-F356 HydrophobicContact CE-CE1 4.34Å; M314-F356 HydrophobicContact CE-CE2 4.41Å; M314-F356 HydrophobicContact CE-CZ 3.8Å; M314-F356 HydrophobicContact SD-CE2 3.92Å; M314-F356 HydrophobicContact SD-CZ 3.78Å; L352-F356 HydrophobicContact CD2-CD1 4.17Å; L352-F356 HydrophobicContact CD2-CD2 3.55Å; L352-F356 HydrophobicContact CD2-CE1 4.2Å; L352-F356 HydrophobicContact CD2-CE2 3.58Å; L352-F356 HydrophobicContact CD2-CG 3.86Å; L352-F356 HydrophobicContact CD2-CZ 3.92Å; N353-F356 VanDerWaalsContact O-CB 3.24Å; N353-F356 WeakPolarHBondContact O-CB 3.38Å; N353-F356 PolarHBondContact O-N 2.56Å; N354-F356 VanDerWaalsContact C-N 3.29Å; N354-F356 PolarHBondContact O-N 3.01Å; F356-L358 PolarHBondContact O-N 2.87Å; F356-L359 HydrophobicContact CB-CD1 4.36Å; F356-L359 HydrophobicContact CD1-CD1 4.21Å; F356-L359 HydrophobicContact CD2-CD1 3.32Å; F356-L359 HydrophobicContact CE1-CD1 4.32Å; F356-L359 HydrophobicContact CE2-CD1 3.46Å; F356-L359 VanDerWaalsContact CE2-CD1 3.46Å; F356-L359 HydrophobicContact CG-CD1 3.72Å; F356-L359 HydrophobicContact CZ-CD1 3.98Å; F356-L359 WeakPolarHBondContact O-CB 3.36Å; F356-L359 PolarHBondContact O-N 3.41Å; F356-L385 HydrophobicContact CE1-CD2 4.25Å; F356-L385 HydrophobicContact CE2-CD2 4.48Å; F356-L385 HydrophobicContact CZ-CD2 3.84Å; F356-L389 HydrophobicContact CE1-CD1 4.07Å; F356-L389 HydrophobicContact CZ-CD1 3.94Å; F356-L419 HydrophobicContact CD1-CD2 3.63Å; F356-L419 HydrophobicContact CE1-CD2 3.49Å; F356-L419 VanDerWaalsContact CE1-CD2 3.49Å; F356-L419 HydrophobicContact CZ-CD2 4.42Å |
| 357 | T | 76.6 | Confident | 75.9 | Confident | 29 Ų | 29 | 35.9 Ų | 35.9 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -66.8 | -18.5 | 179.2 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | N354 Q355 I386 L422 | N354-T357 WeakPolarHBondContact O-CB 3.28Å; N354-T357 PolarHBondContact O-N 3.4Å; N354-T357 PolarHBondContact O-OG1 2.92Å; Q355-T357 PolarHBondContact O-N 2.74Å; T357-I386 HydrophobicContact CG2-CD1 3.92Å; T357-L422 HydrophobicContact CG2-CB 3.64Å; T357-L422 HydrophobicContact CG2-CD1 4.29Å |
| 358 | L | 77.8 | Confident | 74.9 | Confident | 112 Ų | 112 | 37.2 Ų | 37.2 | 59% | 0.586 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -89.5 | -3 | -179 | -58.7 | 173.3 | 0 | 0 | 0 | 113 | Q355 F356 | Q355-L358 PolarHBondContact O-N 3.36Å; F356-L358 PolarHBondContact O-N 2.87Å |
| 359 | L | 82.8 | Confident | 74.3 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 124.5 | -178.7 | -76.5 | 162.8 | 0 | 0 | 0 | 110.5 | F288 S291 Y302 F356 L385 | F288-L359 HydrophobicContact CB-CD2 4.36Å; F288-L359 HydrophobicContact CD1-CD1 4.05Å; F288-L359 HydrophobicContact CD1-CD2 3.98Å; F288-L359 HydrophobicContact CD2-CD1 4.48Å; F288-L359 HydrophobicContact CE1-CD1 4.29Å; F288-L359 HydrophobicContact CG-CD1 4.15Å; F288-L359 HydrophobicContact CG-CD2 4.38Å; S291-L359 WeakPolarHBondContact OG-CD2 3.42Å; Y302-L359 HydrophobicContact CE2-CD2 4.28Å; F356-L359 HydrophobicContact CB-CD1 4.36Å; F356-L359 HydrophobicContact CD1-CD1 4.21Å; F356-L359 HydrophobicContact CD2-CD1 3.32Å; F356-L359 HydrophobicContact CE1-CD1 4.32Å; F356-L359 HydrophobicContact CE2-CD1 3.46Å; F356-L359 VanDerWaalsContact CE2-CD1 3.46Å; F356-L359 HydrophobicContact CG-CD1 3.72Å; F356-L359 HydrophobicContact CZ-CD1 3.98Å; F356-L359 WeakPolarHBondContact O-CB 3.36Å; F356-L359 PolarHBondContact O-N 3.41Å; L359-L385 HydrophobicContact CB-CB 3.89Å; L359-L385 HydrophobicContact CB-CD2 3.93Å; L359-L385 HydrophobicContact CD1-CD2 3.87Å; L359-L385 HydrophobicContact CG-CD2 4.46Å; L359-L385 WeakPolarHBondContact O-CB 3.47Å; L359-L385 PolarHBondContact O-N 3.31Å |
| 360 | P | 80.2 | Confident | 73.6 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 10% | 0.104 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 143.6 | 177.9 | 28.1 | -34.6 | 0 | 0 | 0 | 111.4 | V292 K295 Y302 | V292-P360 HydrophobicContact CG2-CG 4.46Å; K295-P360 HydrophobicContact CB-CG 4.03Å; K295-P360 HydrophobicContact CD-CB 3.52Å; K295-P360 HydrophobicContact CD-CG 3.46Å; K295-P360 VanDerWaalsContact CD-CG 3.46Å; K295-P360 HydrophobicContact CG-CG 4.37Å; Y302-P360 HydrophobicContact CE1-CG 3.91Å; Y302-P360 WeakPolarHBondContact CE1-O 3.13Å; Y302-P360 HydrophobicContact CE2-CG 4.49Å; Y302-P360 WeakPolarHBondContact OH-CD 3.45Å; Y302-P360 PolarHBondContact OH-O 2.96Å |
| 361 | G | 78.5 | Confident | 73 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 162.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K295 D383 | K295-G361 VanDerWaalsContact CE-O 3.29Å; K295-G361 WeakPolarHBondContact CE-O 3.41Å; K295-G361 PolarHBondContact NZ-O 3.3Å; G361-D383 PolarHBondContact N-O 3.4Å |
| 362 | S | 74.9 | Confident | 72.2 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | trans | -118.6 | 139.1 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | D303 A364 Q388 | D303-S362 VanDerWaalsContact OD1-CB 3.24Å; D303-S362 WeakPolarHBondContact OD1-CB 3.32Å; D303-S362 PolarHBondContact OD1-OG 3.48Å; D303-S362 PolarHBondContact OD2-OG 2.83Å; S362-A364 VanDerWaalsContact C-N 3.29Å; S362-A364 PolarHBondContact OG-N 2.93Å; S362-A364 VanDerWaalsContact OG-N 3.09Å; S362-Q388 PolarHBondContact O-NE2 3.1Å | ||
| 363 | N | 68.2 | Low | 71.3 | Confident | 116 Ų | 116 | 52 Ų | 52 | 62% | 0.62 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -17.2 | 171 | -68.6 | 2.7 | 0 | 0 | 0 | 111.7 | L365 Y380 | N363-L365 VanDerWaalsContact C-N 3.34Å; N363-Y380 HydrophobicContact CB-CE1 3.97Å; N363-Y380 VanDerWaalsContact O-CE1 3.29Å; N363-Y380 WeakPolarHBondContact O-CE1 3.42Å; N363-Y380 PolarHBondContact O-OH 3.3Å |
| 364 | A | 66.2 | Low | 70.6 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 9.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D303 F304 S362 E366 S367 V368 | D303-A364 HydrophobicContact CB-CB 4.05Å; F304-A364 HydrophobicContact CZ-CB 4.47Å; S362-A364 VanDerWaalsContact C-N 3.29Å; S362-A364 PolarHBondContact OG-N 2.93Å; S362-A364 VanDerWaalsContact OG-N 3.09Å; A364-E366 PolarHBondContact O-N 3.43Å; A364-S367 WeakPolarHBondContact O-CB 3.05Å; A364-S367 PolarHBondContact O-N 3.07Å; A364-S367 PolarHBondContact O-OG 3.36Å; A364-V368 PolarHBondContact O-N 2.83Å |
| 365 | L | 68 | Low | 70.1 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.8 | -32.5 | -178.1 | -143.4 | 88.6 | 0 | 0 | 0 | 112.2 | I311 N363 S367 V368 L369 L379 L385 Q388 | I311-L365 HydrophobicContact CD1-CD1 3.85Å; N363-L365 VanDerWaalsContact C-N 3.34Å; L365-S367 PolarHBondContact O-N 2.87Å; L365-V368 CarbonylContact O-C 3.55Å; L365-V368 WeakPolarHBondContact O-CA 3.44Å; L365-V368 WeakPolarHBondContact O-CB 3.23Å; L365-V368 PolarHBondContact O-N 2.98Å; L365-L369 HydrophobicContact CD2-CD1 3.46Å; L365-L369 VanDerWaalsContact CD2-CD1 3.46Å; L365-L369 HydrophobicContact CG-CD1 3.79Å; L365-L369 HydrophobicContact CG-CG 4.45Å; L365-L369 PolarHBondContact O-N 3.36Å; L365-L379 HydrophobicContact CD2-CD1 4.42Å; L365-L379 HydrophobicContact CD2-CD2 4.41Å; L365-L385 HydrophobicContact CD1-CD1 3.63Å; L365-Q388 HydrophobicContact CD2-CB 3.72Å |
| 366 | E | 63.3 | Low | 69.3 | Low | 70 Ų | 70 | 52.1 Ų | 52.1 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -25.8 | 173.9 | -63.3 | 179.8 | 178.5 | 0 | 0 | 114 | A364 V368 L369 A376 Y380 | A364-E366 PolarHBondContact O-N 3.43Å; E366-V368 VanDerWaalsContact C-N 3.32Å; E366-L369 CarbonylContact C-O 3.58Å; E366-A376 HydrophobicContact CG-CB 3.92Å; E366-A376 VanDerWaalsContact OE1-C 3.26Å; E366-A376 WeakPolarHBondContact OE1-CA 3.37Å; E366-A376 WeakPolarHBondContact OE1-CB 3.45Å; E366-Y380 VanDerWaalsContact CD-OH 3.31Å; E366-Y380 WeakPolarHBondContact OE1-CE2 3.39Å; E366-Y380 PolarHBondContact OE1-OH 3.43Å; E366-Y380 PolarHBondContact OE2-OH 3.43Å |
| 367 | S | 64.7 | Low | 68.6 | Low | 68 Ų | 68 | 54.8 Ų | 54.8 | 48% | 0.476 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -81.9 | -17.7 | 173.6 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | A364 L365 | A364-S367 WeakPolarHBondContact O-CB 3.05Å; A364-S367 PolarHBondContact O-N 3.07Å; A364-S367 PolarHBondContact O-OG 3.36Å; L365-S367 PolarHBondContact O-N 2.87Å |
| 368 | V | 61.4 | Low | 68.1 | Low | 29 Ų | 29 | 54.9 Ų | 54.9 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -94.9 | -40.5 | -178 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | K308 I311 A364 L365 E366 | K308-V368 HydrophobicContact CB-CG1 4.06Å; K308-V368 HydrophobicContact CB-CG2 3.97Å; K308-V368 HydrophobicContact CG-CG1 4.08Å; K308-V368 HydrophobicContact CG-CG2 4.3Å; I311-V368 HydrophobicContact CB-CG1 4.3Å; I311-V368 HydrophobicContact CD1-CG1 4.15Å; I311-V368 HydrophobicContact CG2-CG1 4.19Å; A364-V368 PolarHBondContact O-N 2.83Å; L365-V368 CarbonylContact O-C 3.55Å; L365-V368 WeakPolarHBondContact O-CA 3.44Å; L365-V368 WeakPolarHBondContact O-CB 3.23Å; L365-V368 PolarHBondContact O-N 2.98Å; E366-V368 VanDerWaalsContact C-N 3.32Å |
| 369 | L | 65.1 | Low | 67.5 | Low | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -103.3 | 132.7 | 176.9 | -62.1 | 169.7 | 0 | 0 | 0 | 107.6 | I311 L315 L365 E366 V371 L389 H392 | I311-L369 HydrophobicContact CG2-CD2 3.68Å; I311-L369 HydrophobicContact CG2-CG 4.43Å; L315-L369 HydrophobicContact CD1-CD2 3.35Å; L365-L369 HydrophobicContact CD2-CD1 3.46Å; L365-L369 VanDerWaalsContact CD2-CD1 3.46Å; L365-L369 HydrophobicContact CG-CD1 3.79Å; L365-L369 HydrophobicContact CG-CG 4.45Å; L365-L369 PolarHBondContact O-N 3.36Å; E366-L369 CarbonylContact C-O 3.58Å; L369-V371 HydrophobicContact CB-CG2 3.42Å; L369-V371 VanDerWaalsContact CB-CG2 3.42Å; L369-V371 WeakPolarHBondContact O-CG2 3.43Å; L369-V371 PolarHBondContact O-N 3.25Å; L369-V371 VanDerWaalsContact O-N 3.11Å; L369-L389 HydrophobicContact CD1-CD2 4.47Å; L369-H392 HydrophobicContact CD1-CB 4.23Å |
| 370 | I | 61.5 | Low | 66.4 | Low | 177 Ų | 177 | 55 Ų | 55 | 91% | 0.908 | 29% | 0.289 | S | S | * | . | trans | -74.5 | 105.9 | 170.3 | -59.7 | 171.6 | 0 | 0 | 0 | 106.4 | ||||
| 371 | V | 64.1 | Low | 65.8 | Low | 29 Ų | 29 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | trans | -127.8 | 142 | -171.3 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | L369 E375 A376 L379 | L369-V371 HydrophobicContact CB-CG2 3.42Å; L369-V371 VanDerWaalsContact CB-CG2 3.42Å; L369-V371 WeakPolarHBondContact O-CG2 3.43Å; L369-V371 PolarHBondContact O-N 3.25Å; L369-V371 VanDerWaalsContact O-N 3.11Å; V371-E375 HydrophobicContact CG1-CB 3.11Å; V371-E375 HydrophobicContact CG1-CG 4.23Å; V371-E375 WeakPolarHBondContact CG1-OE2 3.4Å; V371-A376 HydrophobicContact CG1-CB 4.36Å; V371-A376 VanDerWaalsContact CG1-N 3.34Å; V371-L379 HydrophobicContact CG1-CD1 4.04Å; V371-L379 HydrophobicContact CG2-CD1 4.14Å | ||
| 372 | S | 64.9 | Low | 65.5 | Low | 57 Ų | 57 | 62.4 Ų | 62.4 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | trans | -72.8 | 153.7 | 173 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | W374 E375 A376 | S372-W374 PolarHBondContact O-N 3.49Å; S372-E375 PolarHBondContact N-OE2 3.49Å; S372-E375 PolarHBondContact O-N 3.02Å; S372-E375 VanDerWaalsContact OG-CD 3.25Å; S372-E375 VanDerWaalsContact OG-CG 3.24Å; S372-E375 WeakPolarHBondContact OG-CG 3.37Å; S372-E375 PolarHBondContact OG-OE2 2.99Å; S372-A376 VanDerWaalsContact O-CB 3.28Å; S372-A376 WeakPolarHBondContact O-CB 3.39Å; S372-A376 PolarHBondContact O-N 3.31Å | ||
| 373 | D | 64.2 | Low | 65.7 | Low | 154 Ų | 154 | 69.2 Ų | 69.2 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -50.5 | -32.1 | 179.8 | -69.5 | -15.9 | 0 | 0 | 0 | 113.6 | A376 S377 | D373-A376 WeakPolarHBondContact O-CB 3.48Å; D373-S377 PolarHBondContact O-N 3.45Å |
| 374 | W | 65.9 | Low | 66.5 | Low | 177 Ų | 177 | 66.4 Ų | 66.4 | 67% | 0.67 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.4 | -51.7 | 175.4 | 175.4 | -97 | 0 | 0 | 0 | 112.8 | S372 A376 S377 | S372-W374 PolarHBondContact O-N 3.49Å; W374-A376 VanDerWaalsContact C-N 3.26Å; W374-A376 PolarHBondContact O-N 2.96Å; W374-S377 PolarHBondContact O-N 3.05Å; W374-S377 PolarHBondContact O-OG 3.31Å |
| 375 | E | 64.4 | Low | 67.4 | Low | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 178.6 | -68.5 | 168.7 | 144.8 | 0 | 0 | 110.9 | V371 S372 Q378 L379 L395 N399 | V371-E375 HydrophobicContact CG1-CB 3.11Å; V371-E375 HydrophobicContact CG1-CG 4.23Å; V371-E375 WeakPolarHBondContact CG1-OE2 3.4Å; S372-E375 PolarHBondContact N-OE2 3.49Å; S372-E375 PolarHBondContact O-N 3.02Å; S372-E375 VanDerWaalsContact OG-CD 3.25Å; S372-E375 VanDerWaalsContact OG-CG 3.24Å; S372-E375 WeakPolarHBondContact OG-CG 3.37Å; S372-E375 PolarHBondContact OG-OE2 2.99Å; E375-Q378 PolarHBondContact O-N 3.4Å; E375-L379 WeakPolarHBondContact O-CG 3.46Å; E375-L379 PolarHBondContact O-N 3.37Å; E375-L395 HydrophobicContact CB-CD1 4.29Å; E375-L395 HydrophobicContact CG-CB 4.33Å; E375-L395 HydrophobicContact CG-CD1 3.97Å; E375-N399 PolarHBondContact OE1-ND2 3.46Å |
| 376 | A | 61.5 | Low | 68.4 | Low | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -50.8 | -53.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E366 V371 S372 D373 W374 Q378 L379 Y380 | E366-A376 HydrophobicContact CG-CB 3.92Å; E366-A376 VanDerWaalsContact OE1-C 3.26Å; E366-A376 WeakPolarHBondContact OE1-CA 3.37Å; E366-A376 WeakPolarHBondContact OE1-CB 3.45Å; V371-A376 HydrophobicContact CG1-CB 4.36Å; V371-A376 VanDerWaalsContact CG1-N 3.34Å; S372-A376 VanDerWaalsContact O-CB 3.28Å; S372-A376 WeakPolarHBondContact O-CB 3.39Å; S372-A376 PolarHBondContact O-N 3.31Å; D373-A376 WeakPolarHBondContact O-CB 3.48Å; W374-A376 VanDerWaalsContact C-N 3.26Å; W374-A376 PolarHBondContact O-N 2.96Å; A376-Q378 PolarHBondContact O-N 3.07Å; A376-Q378 VanDerWaalsContact O-N 3.08Å; A376-L379 PolarHBondContact O-N 2.88Å; A376-L379 VanDerWaalsContact O-N 3.17Å; A376-Y380 WeakPolarHBondContact O-CD2 3.31Å |
| 377 | S | 66.7 | Low | 69.4 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.7 | -23.5 | 179.1 | 77.8 | 0 | 0 | 0 | 0 | 114.9 | D373 W374 | D373-S377 PolarHBondContact O-N 3.45Å; W374-S377 PolarHBondContact O-N 3.05Å; W374-S377 PolarHBondContact O-OG 3.31Å |
| 378 | Q | 65.6 | Low | 70.4 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -83.8 | -39.9 | 178 | -60.9 | -66.6 | -1.7 | 0 | 0 | 111.9 | E375 A376 Y380 K381 | E375-Q378 PolarHBondContact O-N 3.4Å; A376-Q378 PolarHBondContact O-N 3.07Å; A376-Q378 VanDerWaalsContact O-N 3.08Å; Q378-Y380 PolarHBondContact O-N 3.28Å; Q378-K381 WeakPolarHBondContact O-CB 3.37Å; Q378-K381 PolarHBondContact O-N 3.28Å; Q378-K381 VanDerWaalsContact O-N 3.15Å |
| 379 | L | 65.3 | Low | 71.6 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -29 | -177.9 | -68.1 | 168.7 | 0 | 0 | 0 | 113.3 | L365 V371 E375 A376 K381 Q388 E391 H392 | L365-L379 HydrophobicContact CD2-CD1 4.42Å; L365-L379 HydrophobicContact CD2-CD2 4.41Å; V371-L379 HydrophobicContact CG1-CD1 4.04Å; V371-L379 HydrophobicContact CG2-CD1 4.14Å; E375-L379 WeakPolarHBondContact O-CG 3.46Å; E375-L379 PolarHBondContact O-N 3.37Å; A376-L379 PolarHBondContact O-N 2.88Å; A376-L379 VanDerWaalsContact O-N 3.17Å; L379-K381 PolarHBondContact O-N 3.14Å; L379-Q388 HydrophobicContact CD2-CB 3.94Å; L379-Q388 WeakPolarHBondContact CD2-O 3.31Å; L379-Q388 PolarHBondContact O-NE2 3.06Å; L379-E391 HydrophobicContact CD2-CB 4.46Å; L379-H392 HydrophobicContact CD2-CB 4.06Å |
| 380 | Y | 60.7 | Low | 72.6 | Confident | 114 Ų | 114 | 57.9 Ų | 57.9 | 45% | 0.447 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9.7 | 178.1 | -77.3 | -59.4 | 0 | 0 | 0 | 115.1 | N363 E366 A376 Q378 | N363-Y380 HydrophobicContact CB-CE1 3.97Å; N363-Y380 VanDerWaalsContact O-CE1 3.29Å; N363-Y380 WeakPolarHBondContact O-CE1 3.42Å; N363-Y380 PolarHBondContact O-OH 3.3Å; E366-Y380 VanDerWaalsContact CD-OH 3.31Å; E366-Y380 WeakPolarHBondContact OE1-CE2 3.39Å; E366-Y380 PolarHBondContact OE1-OH 3.43Å; E366-Y380 PolarHBondContact OE2-OH 3.43Å; A376-Y380 WeakPolarHBondContact O-CD2 3.31Å; Q378-Y380 PolarHBondContact O-N 3.28Å |
| 381 | K | 66.8 | Low | 73.7 | Confident | 143 Ų | 143 | 49.8 Ų | 49.8 | 62% | 0.622 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13 | -176.5 | -66.5 | 177.8 | -177.3 | 165.4 | 0 | 114.4 | Q378 L379 | Q378-K381 WeakPolarHBondContact O-CB 3.37Å; Q378-K381 PolarHBondContact O-N 3.28Å; Q378-K381 VanDerWaalsContact O-N 3.15Å; L379-K381 PolarHBondContact O-N 3.14Å |
| 382 | N | 72.5 | Confident | 74.6 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | trans | -110.5 | 130.1 | -171.3 | -60.2 | -43.2 | 0 | 0 | 0 | 112.9 | D387 Q388 E391 | N382-D387 HydrophobicContact CB-CB 3.63Å; N382-Q388 HydrophobicContact CB-CG 4.01Å; N382-E391 PolarHBondContact ND2-OE2 2.79Å | ||
| 383 | D | 78.7 | Confident | 75.5 | Confident | 145 Ų | 145 | 46.3 Ų | 46.3 | 78% | 0.775 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -76.5 | -18.6 | 179.8 | -73.3 | -29.7 | 0 | 0 | 0 | 114.2 | G361 | G361-D383 PolarHBondContact N-O 3.4Š|
| 384 | L | 85.1 | Confident | 76.2 | Confident | 58 Ų | 58 | 39 Ų | 39 | 30% | 0.304 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -111.7 | 139.7 | -175.9 | -65.5 | 171.2 | 0 | 0 | 0 | 111.3 | I386 D387 Q388 | L384-I386 VanDerWaalsContact C-N 3.3Å; L384-I386 HydrophobicContact CB-CG2 4.16Å; L384-I386 PolarHBondContact O-N 3.48Å; L384-D387 WeakPolarHBondContact O-CB 3.47Å; L384-D387 PolarHBondContact O-N 3.12Å; L384-Q388 PolarHBondContact O-N 3.4Å |
| 385 | L | 85.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -41 | -179 | 177 | 67.8 | 0 | 0 | 0 | 112.4 | L307 I311 F356 L359 L365 D387 Q388 L389 | L307-L385 HydrophobicContact CD2-CD1 3.35Å; L307-L385 HydrophobicContact CD2-CD2 3.27Å; L307-L385 HydrophobicContact CD2-CG 3.86Å; I311-L385 HydrophobicContact CD1-CD1 4.16Å; F356-L385 HydrophobicContact CE1-CD2 4.25Å; F356-L385 HydrophobicContact CE2-CD2 4.48Å; F356-L385 HydrophobicContact CZ-CD2 3.84Å; L359-L385 HydrophobicContact CB-CB 3.89Å; L359-L385 HydrophobicContact CB-CD2 3.93Å; L359-L385 HydrophobicContact CD1-CD2 3.87Å; L359-L385 HydrophobicContact CG-CD2 4.46Å; L359-L385 WeakPolarHBondContact O-CB 3.47Å; L359-L385 PolarHBondContact O-N 3.31Å; L365-L385 HydrophobicContact CD1-CD1 3.63Å; L385-D387 PolarHBondContact O-N 3.49Å; L385-Q388 PolarHBondContact O-N 3.17Å; L385-L389 HydrophobicContact CD1-CD1 4.2Å; L385-L389 HydrophobicContact CD1-CG 4.13Å; L385-L389 HydrophobicContact CD2-CD1 4.1Å; L385-L389 HydrophobicContact CG-CD1 3.83Å; L385-L389 HydrophobicContact CG-CG 4.18Å; L385-L389 WeakPolarHBondContact O-CG 3.45Å; L385-L389 PolarHBondContact O-N 2.95Å |
| 386 | I | 87.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -34.3 | -178.8 | -172.4 | 164.1 | 0 | 0 | 0 | 111.8 | T357 L384 L390 L419 L422 K423 | T357-I386 HydrophobicContact CG2-CD1 3.92Å; L384-I386 VanDerWaalsContact C-N 3.3Å; L384-I386 HydrophobicContact CB-CG2 4.16Å; L384-I386 PolarHBondContact O-N 3.48Å; I386-L390 HydrophobicContact CG1-CD1 3.99Å; I386-L390 HydrophobicContact CG1-CG 4.39Å; I386-L390 VanDerWaalsContact O-CB 3.32Å; I386-L390 WeakPolarHBondContact O-CB 3.44Å; I386-L390 VanDerWaalsContact O-CG 3.25Å; I386-L390 WeakPolarHBondContact O-CG 3.36Å; I386-L390 PolarHBondContact O-N 2.94Å; I386-L419 HydrophobicContact CD1-CB 4.32Å; I386-L419 HydrophobicContact CD1-CD2 4.14Å; I386-L419 HydrophobicContact CG1-CB 4.27Å; I386-L419 HydrophobicContact CG1-CD2 4.19Å; I386-L422 HydrophobicContact CD1-CB 4.24Å; I386-L422 HydrophobicContact CD1-CD1 4.47Å; I386-K423 HydrophobicContact CD1-CD 4.4Å; I386-K423 HydrophobicContact CD1-CG 4.15Å; I386-K423 HydrophobicContact CG2-CD 3.91Å |
| 387 | D | 86 | Confident | 77.5 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.2 | -45.1 | 178.8 | -70.5 | -29.4 | 0 | 0 | 0 | 111.4 | N382 L384 L385 L389 L390 E391 K423 P429 | N382-D387 HydrophobicContact CB-CB 3.63Å; L384-D387 WeakPolarHBondContact O-CB 3.47Å; L384-D387 PolarHBondContact O-N 3.12Å; L385-D387 PolarHBondContact O-N 3.49Å; D387-L389 VanDerWaalsContact C-N 3.34Å; D387-L389 PolarHBondContact O-N 2.95Å; D387-L390 PolarHBondContact O-N 3.38Å; D387-E391 WeakPolarHBondContact O-CB 3.31Å; D387-E391 PolarHBondContact O-N 2.89Å; D387-K423 WeakPolarHBondContact OD1-CE 3.33Å; D387-K423 IonicContact OD1-NZ 3.86Å; D387-K423 PolarHBondContact OD1-NZ 3.47Å; D387-K423 IonicContact OD2-NZ 2.78Å; D387-K423 PolarHBondContact OD2-NZ 2.77Å; D387-P429 HydrophobicContact CB-CG 3.61Å; D387-P429 WeakPolarHBondContact OD1-CD 3.48Å |
| 388 | Q | 84.6 | Confident | 77.2 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.6 | -45.2 | 173.3 | -60 | -176 | -47.6 | 0 | 0 | 111.6 | S362 L365 L379 N382 L384 L385 E391 H392 | S362-Q388 PolarHBondContact O-NE2 3.1Å; L365-Q388 HydrophobicContact CD2-CB 3.72Å; L379-Q388 HydrophobicContact CD2-CB 3.94Å; L379-Q388 WeakPolarHBondContact CD2-O 3.31Å; L379-Q388 PolarHBondContact O-NE2 3.06Å; N382-Q388 HydrophobicContact CB-CG 4.01Å; L384-Q388 PolarHBondContact O-N 3.4Å; L385-Q388 PolarHBondContact O-N 3.17Å; Q388-E391 PolarHBondContact O-N 3.37Å; Q388-H392 WeakPolarHBondContact O-CB 3.49Å; Q388-H392 PolarHBondContact O-N 2.81Å |
| 389 | L | 86.6 | Confident | 77 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.7 | -41.9 | 179.7 | -73.9 | 175.9 | 0 | 0 | 0 | 112.9 | I311 M314 F356 L369 L385 D387 E391 L393 L419 | I311-L389 HydrophobicContact CD1-CD2 4.2Å; I311-L389 HydrophobicContact CG1-CD1 4.49Å; I311-L389 HydrophobicContact CG1-CD2 4.18Å; I311-L389 HydrophobicContact CG2-CD2 4.2Å; M314-L389 HydrophobicContact CE-CD1 4.2Å; F356-L389 HydrophobicContact CE1-CD1 4.07Å; F356-L389 HydrophobicContact CZ-CD1 3.94Å; L369-L389 HydrophobicContact CD1-CD2 4.47Å; L385-L389 HydrophobicContact CD1-CD1 4.2Å; L385-L389 HydrophobicContact CD1-CG 4.13Å; L385-L389 HydrophobicContact CD2-CD1 4.1Å; L385-L389 HydrophobicContact CG-CD1 3.83Å; L385-L389 HydrophobicContact CG-CG 4.18Å; L385-L389 WeakPolarHBondContact O-CG 3.45Å; L385-L389 PolarHBondContact O-N 2.95Å; D387-L389 VanDerWaalsContact C-N 3.34Å; D387-L389 PolarHBondContact O-N 2.95Å; L389-E391 VanDerWaalsContact C-N 3.32Å; L389-L393 VanDerWaalsContact O-CB 3.23Å; L389-L393 WeakPolarHBondContact O-CB 3.36Å; L389-L393 WeakPolarHBondContact O-CG 3.25Å; L389-L393 PolarHBondContact O-N 3.27Å; L389-L419 HydrophobicContact CB-CD1 4.01Å; L389-L419 HydrophobicContact CD1-CD1 4.31Å |
| 390 | L | 86.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.8 | -79 | 169.6 | 0 | 0 | 0 | 111 | I386 D387 S394 W416 L419 L428 V432 | I386-L390 HydrophobicContact CG1-CD1 3.99Å; I386-L390 HydrophobicContact CG1-CG 4.39Å; I386-L390 VanDerWaalsContact O-CB 3.32Å; I386-L390 WeakPolarHBondContact O-CB 3.44Å; I386-L390 VanDerWaalsContact O-CG 3.25Å; I386-L390 WeakPolarHBondContact O-CG 3.36Å; I386-L390 PolarHBondContact O-N 2.94Å; D387-L390 PolarHBondContact O-N 3.38Å; L390-S394 VanDerWaalsContact O-CB 3.28Å; L390-S394 WeakPolarHBondContact O-CB 3.22Å; L390-S394 PolarHBondContact O-N 3.45Å; L390-S394 PolarHBondContact O-OG 3.4Å; L390-W416 HydrophobicContact CD2-CG 4.33Å; L390-L419 HydrophobicContact CD2-CB 3.84Å; L390-L419 HydrophobicContact CG-CB 4.17Å; L390-L428 HydrophobicContact CD1-CD2 3.61Å; L390-V432 HydrophobicContact CB-CG1 4.2Å; L390-V432 HydrophobicContact CB-CG2 3.91Å |
| 391 | E | 84.2 | Confident | 76 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 178.3 | -162.4 | 162.1 | -166.8 | 0 | 0 | 111.8 | L379 N382 D387 Q388 L389 S394 L395 L431 V432 | L379-E391 HydrophobicContact CD2-CB 4.46Å; N382-E391 PolarHBondContact ND2-OE2 2.79Å; D387-E391 WeakPolarHBondContact O-CB 3.31Å; D387-E391 PolarHBondContact O-N 2.89Å; Q388-E391 PolarHBondContact O-N 3.37Å; L389-E391 VanDerWaalsContact C-N 3.32Å; E391-S394 PolarHBondContact O-N 3.41Å; E391-L395 HydrophobicContact CG-CD1 4.31Å; E391-L395 WeakPolarHBondContact O-CG 3.46Å; E391-L395 PolarHBondContact O-N 3.28Å; E391-L431 HydrophobicContact CG-CB 4.24Å; E391-L431 HydrophobicContact CG-CD2 3.57Å; E391-L431 WeakPolarHBondContact OE1-CB 3.36Å; E391-V432 HydrophobicContact CB-CG2 3.92Å; E391-V432 HydrophobicContact CG-CG2 4.39Å |
| 392 | H | 83 | Confident | 74.8 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 175.6 | 177.2 | 72.2 | 0 | 0 | 0 | 113.2 | L369 L379 Q388 S394 L395 T396 | L369-H392 HydrophobicContact CD1-CB 4.23Å; L379-H392 HydrophobicContact CD2-CB 4.06Å; Q388-H392 WeakPolarHBondContact O-CB 3.49Å; Q388-H392 PolarHBondContact O-N 2.81Å; H392-S394 PolarHBondContact O-N 2.88Å; H392-L395 PolarHBondContact O-N 3.08Å; H392-T396 VanDerWaalsContact CE1-CG2 3.46Å; H392-T396 WeakPolarHBondContact CE1-CG2 3.3Å; H392-T396 WeakPolarHBondContact O-CG2 3.39Å; H392-T396 PolarHBondContact O-N 3.17Å; H392-T396 PolarHBondContact O-OG1 2.69Å |
| 393 | L | 84.3 | Confident | 73.3 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -33 | 178 | -79.7 | 173.1 | 0 | 0 | 0 | 111.8 | L315 L389 T396 F397 K412 V415 W416 L419 M439 | L315-L393 HydrophobicContact CD2-CD1 4.11Å; L315-L393 HydrophobicContact CD2-CD2 3.42Å; L315-L393 VanDerWaalsContact CD2-CD2 3.42Å; L315-L393 HydrophobicContact CD2-CG 4.01Å; L389-L393 VanDerWaalsContact O-CB 3.23Å; L389-L393 WeakPolarHBondContact O-CB 3.36Å; L389-L393 WeakPolarHBondContact O-CG 3.25Å; L389-L393 PolarHBondContact O-N 3.27Å; L393-T396 WeakPolarHBondContact CA-OG1 3.48Å; L393-T396 PolarHBondContact O-OG1 3.14Å; L393-F397 PolarHBondContact O-N 3.18Å; L393-K412 HydrophobicContact CD2-CB 3.81Å; L393-K412 HydrophobicContact CD2-CD 4.34Å; L393-K412 HydrophobicContact CD2-CG 3.93Å; L393-V415 HydrophobicContact CD1-CB 4.41Å; L393-V415 HydrophobicContact CD1-CG1 3.89Å; L393-W416 HydrophobicContact CB-CB 4.38Å; L393-W416 HydrophobicContact CB-CG 4.43Å; L393-W416 HydrophobicContact CD1-CB 4.12Å; L393-L419 HydrophobicContact CD1-CD1 4.29Å; L393-M439 WeakPolarHBondContact O-CE 3.49Å |
| 394 | S | 79.4 | Confident | 71.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.3 | -43.8 | 175.8 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | L390 E391 H392 W416 | L390-S394 VanDerWaalsContact O-CB 3.28Å; L390-S394 WeakPolarHBondContact O-CB 3.22Å; L390-S394 PolarHBondContact O-N 3.45Å; L390-S394 PolarHBondContact O-OG 3.4Å; E391-S394 PolarHBondContact O-N 3.41Å; H392-S394 PolarHBondContact O-N 2.88Å; S394-W416 PolarHBondContact OG-NE1 2.95Å |
| 395 | L | 76 | Confident | 69.6 | Low | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 178.7 | -73.9 | 161.8 | 0 | 0 | 0 | 112.6 | E375 E391 H392 F397 L398 N399 L431 | E375-L395 HydrophobicContact CB-CD1 4.29Å; E375-L395 HydrophobicContact CG-CB 4.33Å; E375-L395 HydrophobicContact CG-CD1 3.97Å; E391-L395 HydrophobicContact CG-CD1 4.31Å; E391-L395 WeakPolarHBondContact O-CG 3.46Å; E391-L395 PolarHBondContact O-N 3.28Å; H392-L395 PolarHBondContact O-N 3.08Å; L395-F397 VanDerWaalsContact C-N 3.26Å; L395-F397 PolarHBondContact O-N 3.15Å; L395-L398 PolarHBondContact O-N 3.21Å; L395-L398 VanDerWaalsContact O-N 3.12Å; L395-N399 PolarHBondContact O-N 3.16Å; L395-L431 HydrophobicContact CD1-CD2 3.74Å; L395-L431 HydrophobicContact CD2-CD2 3.74Å; L395-L431 HydrophobicContact CG-CD2 3.61Å |
| 396 | T | 73.3 | Confident | 68.2 | Low | 27 Ų | 27 | 56.2 Ų | 56.2 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -34.5 | -179.9 | 44.3 | 0 | 0 | 0 | 0 | 112.9 | H392 L393 N399 S400 | H392-T396 VanDerWaalsContact CE1-CG2 3.46Å; H392-T396 WeakPolarHBondContact CE1-CG2 3.3Å; H392-T396 WeakPolarHBondContact O-CG2 3.39Å; H392-T396 PolarHBondContact O-N 3.17Å; H392-T396 PolarHBondContact O-OG1 2.69Å; L393-T396 WeakPolarHBondContact CA-OG1 3.48Å; L393-T396 PolarHBondContact O-OG1 3.14Å; T396-N399 PolarHBondContact O-N 3.01Å; T396-S400 PolarHBondContact O-N 3.09Å; T396-S400 VanDerWaalsContact O-N 3.14Å |
| 397 | F | 68.5 | Low | 67.1 | Low | 28 Ų | 28 | 60.6 Ų | 60.6 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.2 | -31.8 | 176.8 | -167.7 | -90.4 | 0 | 0 | 0 | 113.4 | L393 L395 S400 L413 M439 Y442 | L393-F397 PolarHBondContact O-N 3.18Å; L395-F397 VanDerWaalsContact C-N 3.26Å; L395-F397 PolarHBondContact O-N 3.15Å; F397-S400 PolarHBondContact O-OG 2.79Å; F397-L413 HydrophobicContact CD2-CD1 4.43Å; F397-L413 HydrophobicContact CE2-CD1 4.07Å; F397-M439 HydrophobicContact CB-CE 3.2Å; F397-M439 HydrophobicContact CB-SD 3.87Å; F397-M439 HydrophobicContact CD1-CE 4.04Å; F397-M439 HydrophobicContact CD1-SD 3.5Å; F397-M439 VanDerWaalsContact CD1-SD 3.5Å; F397-M439 HydrophobicContact CD2-CE 4.06Å; F397-M439 HydrophobicContact CD2-SD 3.89Å; F397-M439 HydrophobicContact CE1-SD 4.04Å; F397-M439 HydrophobicContact CE2-SD 4.39Å; F397-M439 HydrophobicContact CG-CE 3.5Å; F397-M439 VanDerWaalsContact CG-CE 3.5Å; F397-M439 HydrophobicContact CG-SD 3.45Å; F397-M439 WeakPolarHBondContact CG-SD 3.36Å; F397-M439 HydrophobicContact CZ-SD 4.47Å; F397-Y442 HydrophobicContact CE1-CD1 4.32Å; F397-Y442 HydrophobicContact CE1-CD2 4.36Å; F397-Y442 HydrophobicContact CE1-CG 4.06Å; F397-Y442 AromaticContact CE2-CD1 3.86Å; F397-Y442 HydrophobicContact CE2-CD1 3.86Å; F397-Y442 AromaticContact CE2-CE1 3.86Å; F397-Y442 HydrophobicContact CE2-CE1 3.86Å; F397-Y442 HydrophobicContact CE2-CG 4.4Å; F397-Y442 AromaticContact CZ-CD1 3.31Å; F397-Y442 HydrophobicContact CZ-CD1 3.31Å; F397-Y442 AromaticContact CZ-CD2 3.81Å; F397-Y442 HydrophobicContact CZ-CD2 3.81Å; F397-Y442 AromaticContact CZ-CE1 3.58Å; F397-Y442 HydrophobicContact CZ-CE1 3.58Å; F397-Y442 HydrophobicContact CZ-CE2 4.05Å; F397-Y442 AromaticContact CZ-CG 3.41Å; F397-Y442 HydrophobicContact CZ-CG 3.41Å; F397-Y442 VanDerWaalsContact CZ-CG 3.41Å; F397-Y442 AromaticContact CZ-CZ 3.93Å |
| 398 | L | 61.5 | Low | 66.3 | Low | 50 Ų | 50 | 62.8 Ų | 62.8 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.3 | -33.6 | 174.1 | -67.9 | 171.3 | 0 | 0 | 0 | 112.4 | L395 L435 | L395-L398 PolarHBondContact O-N 3.21Å; L395-L398 VanDerWaalsContact O-N 3.12Å; L398-L435 HydrophobicContact CD1-CD1 3.72Å; L398-L435 HydrophobicContact CD1-CD2 3.55Å; L398-L435 HydrophobicContact CD1-CG 4.27Å; L398-L435 HydrophobicContact CD2-CD2 4.12Å; L398-L435 HydrophobicContact CG-CD2 4.2Å |
| 399 | N | 61.8 | Low | 65.6 | Low | 110 Ų | 110 | 64.3 Ų | 64.3 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -86 | -17.5 | -174.7 | -73.3 | -21.4 | 0 | 0 | 0 | 113.4 | E375 L395 T396 K401 | E375-N399 PolarHBondContact OE1-ND2 3.46Å; L395-N399 PolarHBondContact O-N 3.16Å; T396-N399 PolarHBondContact O-N 3.01Å; N399-K401 VanDerWaalsContact C-N 3.31Å; N399-K401 PolarHBondContact O-N 2.59Å |
| 400 | S | 55.4 | Low | 65 | Low | 46 Ų | 46 | 65.4 Ų | 65.4 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | trans | -74 | 79.8 | 179.8 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | T396 F397 | T396-S400 PolarHBondContact O-N 3.09Å; T396-S400 VanDerWaalsContact O-N 3.14Å; F397-S400 PolarHBondContact O-OG 2.79Å | ||
| 401 | K | 48.5 | Very low | 64.5 | Low | 188 Ų | 188 | 66.7 Ų | 66.7 | 82% | 0.817 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -84.6 | -17.7 | 168 | -78.5 | -170.7 | 174.7 | -177.3 | 0 | 113.7 | N399 | N399-K401 VanDerWaalsContact C-N 3.31Å; N399-K401 PolarHBondContact O-N 2.59Å |
| 402 | D | 42.1 | Very low | 64.4 | Low | 136 Ų | 136 | 68.8 Ų | 68.8 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | trans | -135 | 16.4 | -166.9 | -72.2 | -42.3 | 0 | 0 | 0 | 116.1 | H404 | D402-H404 PolarHBondContact O-N 3.01Š| ||
| 403 | D | 41.1 | Very low | 64.4 | Low | 105 Ų | 105 | 68.4 Ų | 68.4 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | trans | -78.3 | 95.1 | -177.3 | -80 | -14.1 | 0 | 0 | 0 | 112 | Y405 | D403-Y405 PolarHBondContact O-N 3.48Š| ||
| 404 | H | 42.8 | Very low | 64.2 | Low | 179 Ų | 179 | 68.8 Ų | 68.8 | 83% | 0.829 | 35% | 0.348 | S | S | * | . | trans | -58.2 | 10.8 | 171.4 | -75.2 | -67.1 | 0 | 0 | 0 | 115.9 | D402 | D402-H404 PolarHBondContact O-N 3.01Š| ||
| 405 | Y | 44 | Very low | 64.5 | Low | 169 Ų | 169 | 68.7 Ų | 68.7 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | trans | -122.1 | 87 | -179.5 | -71.7 | -79.9 | 0 | 0 | 0 | 111.1 | D403 D407 I408 | D403-Y405 PolarHBondContact O-N 3.48Å; Y405-D407 PolarHBondContact O-N 3.47Å; Y405-D407 VanDerWaalsContact O-N 3.16Å; Y405-I408 PolarHBondContact O-N 2.93Å | ||
| 406 | S | 56.5 | Low | 65.1 | Low | 85 Ų | 85 | 67.9 Ų | 67.9 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -49.3 | -41.5 | 180 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | I408 S409 E410 | S406-I408 PolarHBondContact O-N 2.77Å; S406-S409 PolarHBondContact O-N 3.36Å; S406-S409 PolarHBondContact O-OG 3.46Å; S406-E410 PolarHBondContact O-N 3.38Å; S406-E410 VanDerWaalsContact O-N 3.08Å |
| 407 | D | 63.5 | Low | 65.7 | Low | 91 Ų | 91 | 66.7 Ų | 66.7 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -35.9 | -174.1 | -76.6 | 9.2 | 0 | 0 | 0 | 114.1 | Y405 R411 | Y405-D407 PolarHBondContact O-N 3.47Å; Y405-D407 VanDerWaalsContact O-N 3.16Å; D407-R411 WeakPolarHBondContact O-CB 3.2Å; D407-R411 WeakPolarHBondContact O-CG 3.47Å; D407-R411 PolarHBondContact O-N 3.1Å |
| 408 | I | 68.1 | Low | 66.4 | Low | 62 Ų | 62 | 67.8 Ų | 67.8 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -42 | -178.5 | -63.4 | 173.9 | 0 | 0 | 0 | 109.7 | Y405 S406 E410 R411 K412 | Y405-I408 PolarHBondContact O-N 2.93Å; S406-I408 PolarHBondContact O-N 2.77Å; I408-E410 VanDerWaalsContact C-N 3.34Å; I408-E410 PolarHBondContact O-N 2.94Å; I408-R411 PolarHBondContact O-N 3.06Å; I408-K412 HydrophobicContact CG2-CD 4.34Å; I408-K412 WeakPolarHBondContact O-CG 3.48Å; I408-K412 PolarHBondContact O-N 3.38Å |
| 409 | S | 70.3 | Confident | 67.7 | Low | 34 Ų | 34 | 65.4 Ų | 65.4 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.1 | 71 | 0 | 0 | 0 | 0 | 111.4 | S406 K412 L413 | S406-S409 PolarHBondContact O-N 3.36Å; S406-S409 PolarHBondContact O-OG 3.46Å; S409-K412 PolarHBondContact O-N 3.3Å; S409-L413 WeakPolarHBondContact O-CB 3.11Å; S409-L413 PolarHBondContact O-N 3.44Å |
| 410 | E | 73.4 | Confident | 68.8 | Low | 25 Ų | 25 | 60.4 Ų | 60.4 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 177.1 | -173.5 | 174.4 | 178.9 | 0 | 0 | 112.1 | S406 I408 L413 L414 H446 H447 N448 V451 | S406-E410 PolarHBondContact O-N 3.38Å; S406-E410 VanDerWaalsContact O-N 3.08Å; I408-E410 VanDerWaalsContact C-N 3.34Å; I408-E410 PolarHBondContact O-N 2.94Å; E410-L413 WeakPolarHBondContact O-CB 3.22Å; E410-L413 PolarHBondContact O-N 3.25Å; E410-L414 HydrophobicContact CG-CD1 4.36Å; E410-L414 WeakPolarHBondContact O-CB 3.35Å; E410-L414 WeakPolarHBondContact O-CG 3.33Å; E410-L414 PolarHBondContact O-N 3.43Å; E410-H446 IonicContact OE1-CE1 2.63Å; E410-H446 PolarHBondContact OE1-CE1 3.13Å; E410-H446 IonicContact OE1-ND1 3.7Å; E410-H446 IonicContact OE2-CE1 3.57Å; E410-H447 IonicContact OE2-CE1 2.66Å; E410-H447 IonicContact OE2-NE2 3.48Å; E410-N448 WeakPolarHBondContact OE1-CB 3.46Å; E410-N448 PolarHBondContact OE1-ND2 3.43Å; E410-V451 HydrophobicContact CG-CG2 4.36Å |
| 411 | R | 77.5 | Confident | 70 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 175 | -77.8 | 176.5 | -179.2 | 176.5 | -1 | 112.4 | T316 G317 N341 W344 D407 I408 L413 L414 V415 | T316-R411 PolarHBondContact O-NH1 3.04Å; G317-R411 VanDerWaalsContact CA-NH1 3.32Å; N341-R411 PolarHBondContact OD1-NH2 3.39Å; W344-R411 HydrophobicContact CH2-CB 4.2Å; W344-R411 HydrophobicContact CH2-CG 4.07Å; W344-R411 HydrophobicContact CZ2-CB 3.89Å; W344-R411 HydrophobicContact CZ2-CG 3.91Å; D407-R411 WeakPolarHBondContact O-CB 3.2Å; D407-R411 WeakPolarHBondContact O-CG 3.47Å; D407-R411 PolarHBondContact O-N 3.1Å; I408-R411 PolarHBondContact O-N 3.06Å; R411-L413 VanDerWaalsContact C-N 3.26Å; R411-L413 PolarHBondContact O-N 3.21Å; R411-L414 PolarHBondContact O-N 2.72Å; R411-V415 VanDerWaalsContact O-CG2 3.31Å; R411-V415 WeakPolarHBondContact O-CG2 3.42Å; R411-V415 PolarHBondContact O-N 3.2Å |
| 412 | K | 82 | Confident | 71.6 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.1 | -41.9 | 175.8 | -75.6 | -179.7 | -179 | 178.7 | 0 | 110.9 | L315 L393 I408 S409 V415 W416 | L315-K412 HydrophobicContact CD2-CG 4.41Å; L393-K412 HydrophobicContact CD2-CB 3.81Å; L393-K412 HydrophobicContact CD2-CD 4.34Å; L393-K412 HydrophobicContact CD2-CG 3.93Å; I408-K412 HydrophobicContact CG2-CD 4.34Å; I408-K412 WeakPolarHBondContact O-CG 3.48Å; I408-K412 PolarHBondContact O-N 3.38Å; S409-K412 PolarHBondContact O-N 3.3Å; K412-V415 PolarHBondContact O-N 2.89Å; K412-W416 WeakPolarHBondContact O-CB 3.45Å; K412-W416 PolarHBondContact O-N 3.03Å |
| 413 | L | 81.6 | Confident | 73.4 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 176.3 | -167.9 | 67 | 0 | 0 | 0 | 112.2 | F397 S409 E410 R411 V415 W416 L417 M439 Y442 S443 V451 | F397-L413 HydrophobicContact CD2-CD1 4.43Å; F397-L413 HydrophobicContact CE2-CD1 4.07Å; S409-L413 WeakPolarHBondContact O-CB 3.11Å; S409-L413 PolarHBondContact O-N 3.44Å; E410-L413 WeakPolarHBondContact O-CB 3.22Å; E410-L413 PolarHBondContact O-N 3.25Å; R411-L413 VanDerWaalsContact C-N 3.26Å; R411-L413 PolarHBondContact O-N 3.21Å; L413-V415 PolarHBondContact O-N 3.06Å; L413-W416 PolarHBondContact O-N 3.25Å; L413-L417 HydrophobicContact CG-CD1 4.35Å; L413-L417 WeakPolarHBondContact O-CB 3.09Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.44Å; L413-M439 HydrophobicContact CD1-SD 4.03Å; L413-Y442 HydrophobicContact CD1-CD1 4.46Å; L413-Y442 HydrophobicContact CD2-CD1 3.85Å; L413-Y442 HydrophobicContact CD2-CE1 4.04Å; L413-S443 WeakPolarHBondContact CD1-OG 3.48Å; L413-S443 WeakPolarHBondContact CG-OG 3.28Å; L413-V451 HydrophobicContact CD2-CG1 3.88Å |
| 414 | L | 81.1 | Confident | 75 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 176.9 | -80.6 | 172.5 | 0 | 0 | 0 | 112.6 | W344 E410 R411 R418 Y450 V451 L454 | W344-L414 HydrophobicContact CH2-CB 3.75Å; W344-L414 HydrophobicContact CH2-CD1 4.05Å; W344-L414 HydrophobicContact CZ3-CB 4.32Å; W344-L414 HydrophobicContact CZ3-CD1 3.89Å; E410-L414 HydrophobicContact CG-CD1 4.36Å; E410-L414 WeakPolarHBondContact O-CB 3.35Å; E410-L414 WeakPolarHBondContact O-CG 3.33Å; E410-L414 PolarHBondContact O-N 3.43Å; R411-L414 PolarHBondContact O-N 2.72Å; L414-R418 WeakPolarHBondContact O-CB 3.47Å; L414-R418 PolarHBondContact O-N 2.98Å; L414-Y450 HydrophobicContact CD2-CD1 3.5Å; L414-Y450 VanDerWaalsContact CD2-CD1 3.5Å; L414-Y450 HydrophobicContact CD2-CE1 3.66Å; L414-V451 HydrophobicContact CD1-CG2 4.31Å; L414-V451 HydrophobicContact CD2-CB 4.27Å; L414-V451 HydrophobicContact CD2-CG2 3.43Å; L414-V451 VanDerWaalsContact CD2-CG2 3.43Å; L414-V451 HydrophobicContact CG-CG2 3.79Å; L414-L454 HydrophobicContact CD2-CD1 4.07Å |
| 415 | V | 85.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 173.9 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | M314 W344 I348 L352 L393 R411 K412 L413 L417 R418 L419 | M314-V415 HydrophobicContact CB-CG1 4.46Å; M314-V415 HydrophobicContact CB-CG2 4.32Å; M314-V415 HydrophobicContact CE-CG1 3.56Å; M314-V415 WeakPolarHBondContact O-CG2 3.46Å; W344-V415 HydrophobicContact CH2-CG2 4.26Å; W344-V415 HydrophobicContact CZ2-CG2 3.7Å; I348-V415 HydrophobicContact CD1-CG2 3.84Å; L352-V415 HydrophobicContact CD1-CG1 4.41Å; L393-V415 HydrophobicContact CD1-CB 4.41Å; L393-V415 HydrophobicContact CD1-CG1 3.89Å; R411-V415 VanDerWaalsContact O-CG2 3.31Å; R411-V415 WeakPolarHBondContact O-CG2 3.42Å; R411-V415 PolarHBondContact O-N 3.2Å; K412-V415 PolarHBondContact O-N 2.89Å; L413-V415 PolarHBondContact O-N 3.06Å; V415-L417 PolarHBondContact O-N 3.36Å; V415-R418 PolarHBondContact O-N 3.06Å; V415-L419 HydrophobicContact CG1-CD1 3.86Å; V415-L419 HydrophobicContact CG1-CG 4.18Å; V415-L419 WeakPolarHBondContact O-CG 3.45Å; V415-L419 PolarHBondContact O-N 2.66Å |
| 416 | W | 88.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 178 | -175.8 | 94.1 | 0 | 0 | 0 | 111.1 | L390 L393 S394 K412 L413 R418 L419 Y420 V436 M439 L440 | L390-W416 HydrophobicContact CD2-CG 4.33Å; L393-W416 HydrophobicContact CB-CB 4.38Å; L393-W416 HydrophobicContact CB-CG 4.43Å; L393-W416 HydrophobicContact CD1-CB 4.12Å; S394-W416 PolarHBondContact OG-NE1 2.95Å; K412-W416 WeakPolarHBondContact O-CB 3.45Å; K412-W416 PolarHBondContact O-N 3.03Å; L413-W416 PolarHBondContact O-N 3.25Å; W416-R418 VanDerWaalsContact C-N 3.28Å; W416-R418 PolarHBondContact O-N 3.39Å; W416-L419 PolarHBondContact O-N 3.18Å; W416-Y420 HydrophobicContact CH2-CD2 4.24Å; W416-Y420 HydrophobicContact CH2-CG 4.24Å; W416-Y420 HydrophobicContact CZ2-CD2 4.5Å; W416-Y420 HydrophobicContact CZ3-CG 4.36Å; W416-Y420 VanDerWaalsContact O-CB 3.23Å; W416-Y420 WeakPolarHBondContact O-CB 3.33Å; W416-Y420 PolarHBondContact O-N 2.92Å; W416-V436 HydrophobicContact CH2-CB 4.35Å; W416-V436 HydrophobicContact CH2-CG1 4.47Å; W416-V436 HydrophobicContact CH2-CG2 4.01Å; W416-V436 HydrophobicContact CZ2-CB 4.44Å; W416-V436 HydrophobicContact CZ2-CG2 3.8Å; W416-M439 HydrophobicContact CD2-CB 4.27Å; W416-M439 HydrophobicContact CD2-CE 4.41Å; W416-M439 HydrophobicContact CD2-CG 4.29Å; W416-M439 HydrophobicContact CE3-CB 4.03Å; W416-M439 HydrophobicContact CG-CE 4.2Å; W416-M439 HydrophobicContact CH2-CB 3.42Å; W416-M439 VanDerWaalsContact CH2-CB 3.42Å; W416-M439 HydrophobicContact CH2-CG 4.18Å; W416-M439 HydrophobicContact CZ2-CB 3.63Å; W416-M439 HydrophobicContact CZ2-CG 3.87Å; W416-M439 HydrophobicContact CZ3-CB 3.62Å; W416-M439 HydrophobicContact CZ3-CG 4.48Å; W416-L440 HydrophobicContact CH2-CD2 4.36Å; W416-L440 HydrophobicContact CH2-CG 4.13Å; W416-L440 HydrophobicContact CZ3-CD2 3.9Å; W416-L440 HydrophobicContact CZ3-CG 4.12Å |
| 417 | L | 85.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.8 | -40.2 | 177.1 | -73.7 | 169.8 | 0 | 0 | 0 | 112 | L413 V415 S421 L440 V451 L454 A455 | L413-L417 HydrophobicContact CG-CD1 4.35Å; L413-L417 WeakPolarHBondContact O-CB 3.09Å; L413-L417 VanDerWaalsContact O-CG 3.31Å; L413-L417 WeakPolarHBondContact O-CG 3.34Å; L413-L417 PolarHBondContact O-N 3.44Å; V415-L417 PolarHBondContact O-N 3.36Å; L417-S421 WeakPolarHBondContact O-CB 3.48Å; L417-S421 PolarHBondContact O-N 2.8Å; L417-L440 HydrophobicContact CD2-CD2 3.82Å; L417-V451 HydrophobicContact CD1-CG1 3.72Å; L417-L454 HydrophobicContact CB-CB 4.07Å; L417-L454 HydrophobicContact CB-CD1 4.25Å; L417-L454 HydrophobicContact CD1-CB 4.11Å; L417-A455 HydrophobicContact CD2-CB 4.17Å |
| 418 | R | 84.4 | Confident | 79.3 | Confident | 52 Ų | 52 | 27.8 Ų | 27.8 | 20% | 0.196 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.8 | -47.1 | 178.3 | -173.8 | 59.1 | 177.5 | 176 | -4.2 | 111.8 | I348 L352 L414 V415 W416 S421 L422 | I348-R418 HydrophobicContact CG2-CB 4.36Å; I348-R418 HydrophobicContact CG2-CG 4.11Å; L352-R418 HydrophobicContact CB-CG 3.8Å; L352-R418 HydrophobicContact CD1-CB 4.38Å; L352-R418 HydrophobicContact CD1-CG 4.05Å; L352-R418 PolarHBondContact O-NE 3.48Å; L352-R418 VanDerWaalsContact O-NE 3.11Å; L352-R418 PolarHBondContact O-NH2 3.07Å; L414-R418 WeakPolarHBondContact O-CB 3.47Å; L414-R418 PolarHBondContact O-N 2.98Å; V415-R418 PolarHBondContact O-N 3.06Å; W416-R418 VanDerWaalsContact C-N 3.28Å; W416-R418 PolarHBondContact O-N 3.39Å; R418-S421 WeakPolarHBondContact O-CB 3.32Å; R418-S421 PolarHBondContact O-N 3.15Å; R418-S421 PolarHBondContact O-OG 2.96Å; R418-L422 WeakPolarHBondContact O-CG 3.41Å; R418-L422 PolarHBondContact O-N 3.35Å |
| 419 | L | 87.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 177.4 | -68.9 | 178.4 | 0 | 0 | 0 | 111.4 | M314 L352 F356 I386 L389 L390 L393 V415 W416 S421 L422 | M314-L419 HydrophobicContact CE-CD1 4.15Å; M314-L419 HydrophobicContact CE-CD2 4.3Å; L352-L419 HydrophobicContact CD1-CD2 4.34Å; L352-L419 HydrophobicContact CD2-CD2 4.27Å; F356-L419 HydrophobicContact CD1-CD2 3.63Å; F356-L419 HydrophobicContact CE1-CD2 3.49Å; F356-L419 VanDerWaalsContact CE1-CD2 3.49Å; F356-L419 HydrophobicContact CZ-CD2 4.42Å; I386-L419 HydrophobicContact CD1-CB 4.32Å; I386-L419 HydrophobicContact CD1-CD2 4.14Å; I386-L419 HydrophobicContact CG1-CB 4.27Å; I386-L419 HydrophobicContact CG1-CD2 4.19Å; L389-L419 HydrophobicContact CB-CD1 4.01Å; L389-L419 HydrophobicContact CD1-CD1 4.31Å; L390-L419 HydrophobicContact CD2-CB 3.84Å; L390-L419 HydrophobicContact CG-CB 4.17Å; L393-L419 HydrophobicContact CD1-CD1 4.29Å; V415-L419 HydrophobicContact CG1-CD1 3.86Å; V415-L419 HydrophobicContact CG1-CG 4.18Å; V415-L419 WeakPolarHBondContact O-CG 3.45Å; V415-L419 PolarHBondContact O-N 2.66Å; W416-L419 PolarHBondContact O-N 3.18Å; L419-S421 PolarHBondContact O-N 3.47Å; L419-L422 HydrophobicContact CD2-CD1 4.41Å; L419-L422 WeakPolarHBondContact O-CB 3.31Å; L419-L422 PolarHBondContact O-N 3.26Å |
| 420 | Y | 85.5 | Confident | 79.7 | Confident | 5 Ų | 5 | 28.9 Ų | 28.9 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -55.6 | -40.2 | 174.2 | 174.5 | -98.6 | 0 | 0 | 0 | 111.2 | W416 L422 K423 L428 V436 L440 G458 F462 | W416-Y420 HydrophobicContact CH2-CD2 4.24Å; W416-Y420 HydrophobicContact CH2-CG 4.24Å; W416-Y420 HydrophobicContact CZ2-CD2 4.5Å; W416-Y420 HydrophobicContact CZ3-CG 4.36Å; W416-Y420 VanDerWaalsContact O-CB 3.23Å; W416-Y420 WeakPolarHBondContact O-CB 3.33Å; W416-Y420 PolarHBondContact O-N 2.92Å; Y420-L422 PolarHBondContact O-N 3.12Å; Y420-K423 PolarHBondContact O-N 3.28Å; Y420-L428 HydrophobicContact CD2-CD1 3.9Å; Y420-L428 HydrophobicContact CE2-CD1 3.59Å; Y420-V436 HydrophobicContact CD2-CG2 4.05Å; Y420-V436 HydrophobicContact CE2-CG1 3.89Å; Y420-V436 HydrophobicContact CE2-CG2 3.74Å; Y420-L440 HydrophobicContact CE1-CD1 4.34Å; Y420-L440 HydrophobicContact CE1-CD2 4.46Å; Y420-G458 VanDerWaalsContact CE1-CA 3.46Å; Y420-G458 PolarHBondContact OH-O 3.34Å; Y420-F462 WeakPolarHBondContact OH-CB 3.48Å |
| 421 | S | 80.1 | Confident | 79.6 | Confident | 18 Ų | 18 | 29.5 Ų | 29.5 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.3 | -18.9 | 179.3 | 81.2 | 0 | 0 | 0 | 0 | 114.9 | L417 R418 L419 K461 | L417-S421 WeakPolarHBondContact O-CB 3.48Å; L417-S421 PolarHBondContact O-N 2.8Å; R418-S421 WeakPolarHBondContact O-CB 3.32Å; R418-S421 PolarHBondContact O-N 3.15Å; R418-S421 PolarHBondContact O-OG 2.96Å; L419-S421 PolarHBondContact O-N 3.47Å; S421-K461 PolarHBondContact O-NZ 3.3Å |
| 422 | L | 82.8 | Confident | 79.7 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 16% | 0.157 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -88.5 | -19.9 | 179.9 | -60.6 | 173.7 | 0 | 0 | 0 | 113.3 | L352 T357 I386 R418 L419 Y420 | L352-L422 HydrophobicContact CB-CD1 4.46Å; T357-L422 HydrophobicContact CG2-CB 3.64Å; T357-L422 HydrophobicContact CG2-CD1 4.29Å; I386-L422 HydrophobicContact CD1-CB 4.24Å; I386-L422 HydrophobicContact CD1-CD1 4.47Å; R418-L422 WeakPolarHBondContact O-CG 3.41Å; R418-L422 PolarHBondContact O-N 3.35Å; L419-L422 HydrophobicContact CD2-CD1 4.41Å; L419-L422 WeakPolarHBondContact O-CB 3.31Å; L419-L422 PolarHBondContact O-N 3.26Å; Y420-L422 PolarHBondContact O-N 3.12Å |
| 423 | K | 80.5 | Confident | 79.3 | Confident | 26 Ų | 26 | 27.2 Ų | 27.2 | 11% | 0.113 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -109.3 | 154.3 | 179.3 | -95 | -165.2 | 162.1 | -156.7 | 0 | 111.9 | I386 D387 Y420 D427 L428 | I386-K423 HydrophobicContact CD1-CD 4.4Å; I386-K423 HydrophobicContact CD1-CG 4.15Å; I386-K423 HydrophobicContact CG2-CD 3.91Å; D387-K423 WeakPolarHBondContact OD1-CE 3.33Å; D387-K423 IonicContact OD1-NZ 3.86Å; D387-K423 PolarHBondContact OD1-NZ 3.47Å; D387-K423 IonicContact OD2-NZ 2.78Å; D387-K423 PolarHBondContact OD2-NZ 2.77Å; Y420-K423 PolarHBondContact O-N 3.28Å; K423-D427 PolarHBondContact NZ-O 2.74Å; K423-L428 HydrophobicContact CB-CD2 4.12Å; K423-L428 HydrophobicContact CD-CD2 4.49Å |
| 424 | D | 73.2 | Confident | 78.7 | Confident | 83 Ų | 83 | 31.2 Ų | 31.2 | 44% | 0.444 | 16% | 0.159 | S | C | . | . | trans | -93.5 | 138.1 | 179.3 | -120 | 23.2 | 0 | 0 | 0 | 108.4 | S426 D427 K465 | D424-S426 PolarHBondContact O-N 2.9Å; D424-D427 PolarHBondContact O-N 2.82Å; D424-K465 IonicContact OD1-NZ 2.73Å; D424-K465 IonicContact OD2-NZ 2.66Å; D424-K465 PolarHBondContact OD2-NZ 3.05Å | ||
| 425 | Y | 71.9 | Confident | 78.4 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -54.8 | -35.2 | -168.8 | -179 | -95.1 | 0 | 0 | 0 | 114.5 | D427 L428 K433 V436 F462 | Y425-D427 PolarHBondContact O-N 3.45Å; Y425-L428 HydrophobicContact CD2-CD1 3.64Å; Y425-L428 HydrophobicContact CE2-CD1 4.28Å; Y425-L428 HydrophobicContact CG-CD1 4.28Å; Y425-L428 WeakPolarHBondContact O-CB 3.47Å; Y425-L428 PolarHBondContact O-N 3.44Å; Y425-K433 HydrophobicContact CE1-CD 4.26Å; Y425-K433 HydrophobicContact CE1-CG 4.1Å; Y425-K433 HydrophobicContact CE2-CB 4.14Å; Y425-K433 HydrophobicContact CE2-CG 3.87Å; Y425-K433 WeakPolarHBondContact O-CE 3.44Å; Y425-K433 WeakPolarHBondContact OH-CB 3.23Å; Y425-K433 PolarHBondContact OH-O 2.91Å; Y425-V436 HydrophobicContact CE2-CB 4.47Å; Y425-V436 HydrophobicContact CE2-CG1 4.41Å; Y425-F462 HydrophobicContact CD1-CD2 4.39Å; Y425-F462 HydrophobicContact CD1-CE2 4.15Å; Y425-F462 AromaticContact CD2-CD2 3.45Å; Y425-F462 HydrophobicContact CD2-CD2 3.45Å; Y425-F462 VanDerWaalsContact CD2-CD2 3.45Å; Y425-F462 AromaticContact CD2-CE2 3.65Å; Y425-F462 HydrophobicContact CD2-CE2 3.65Å; Y425-F462 AromaticContact CE1-CE2 3.85Å; Y425-F462 HydrophobicContact CE1-CE2 3.85Å; Y425-F462 AromaticContact CE2-CD2 3.6Å; Y425-F462 HydrophobicContact CE2-CD2 3.6Å; Y425-F462 AromaticContact CE2-CE2 3.31Å; Y425-F462 HydrophobicContact CE2-CE2 3.31Å; Y425-F462 HydrophobicContact CE2-CZ 4.49Å; Y425-F462 AromaticContact CG-CD2 3.89Å; Y425-F462 HydrophobicContact CG-CD2 3.89Å; Y425-F462 HydrophobicContact CG-CE2 4.06Å; Y425-F462 AromaticContact CZ-CE2 3.43Å; Y425-F462 VanDerWaalsContact CZ-CE2 3.43Å |
| 426 | S | 69.3 | Low | 77.9 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -57.1 | -29.9 | 175.7 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | D424 K433 K465 | D424-S426 PolarHBondContact O-N 2.9Å; S426-K433 PolarHBondContact O-NZ 3.5Å; S426-K465 WeakPolarHBondContact OG-CE 3.41Å; S426-K465 PolarHBondContact OG-NZ 3.3Å |
| 427 | D | 76.6 | Confident | 76.9 | Confident | 88 Ų | 88 | 32 Ų | 32 | 47% | 0.471 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -100.3 | 7.9 | -169.5 | -45.9 | -20 | 0 | 0 | 0 | 111.4 | K423 D424 Y425 | K423-D427 PolarHBondContact NZ-O 2.74Å; D424-D427 PolarHBondContact O-N 2.82Å; Y425-D427 PolarHBondContact O-N 3.45Å |
| 428 | L | 79.4 | Confident | 76.2 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -82.1 | 146.6 | 174.3 | -66.8 | 172.2 | 0 | 0 | 0 | 111.4 | L390 Y420 K423 Y425 V432 K433 V436 | L390-L428 HydrophobicContact CD1-CD2 3.61Å; Y420-L428 HydrophobicContact CD2-CD1 3.9Å; Y420-L428 HydrophobicContact CE2-CD1 3.59Å; K423-L428 HydrophobicContact CB-CD2 4.12Å; K423-L428 HydrophobicContact CD-CD2 4.49Å; Y425-L428 HydrophobicContact CD2-CD1 3.64Å; Y425-L428 HydrophobicContact CE2-CD1 4.28Å; Y425-L428 HydrophobicContact CG-CD1 4.28Å; Y425-L428 WeakPolarHBondContact O-CB 3.47Å; Y425-L428 PolarHBondContact O-N 3.44Å; L428-V432 HydrophobicContact CD1-CG1 4.49Å; L428-V432 HydrophobicContact CD2-CG1 4.24Å; L428-K433 HydrophobicContact CB-CG 3.8Å; L428-K433 WeakPolarHBondContact O-CD 3.36Å; L428-K433 WeakPolarHBondContact O-CE 3.43Å; L428-K433 PolarHBondContact O-NZ 3Å; L428-V436 HydrophobicContact CD1-CG2 4.11Å |
| 429 | P | 77 | Confident | 75.8 | Confident | 12 Ų | 12 | 30.1 Ų | 30.1 | 8% | 0.078 | 16% | 0.158 | C | C | . | . | trans | -57.1 | 149 | 171.1 | -25.3 | 35.4 | 0 | 0 | 0 | 112.3 | D387 L431 V432 K433 | D387-P429 HydrophobicContact CB-CG 3.61Å; D387-P429 WeakPolarHBondContact OD1-CD 3.48Å; P429-L431 VanDerWaalsContact C-N 3.31Å; P429-L431 PolarHBondContact O-N 2.97Å; P429-V432 HydrophobicContact CB-CB 4.38Å; P429-V432 HydrophobicContact CB-CG2 4.05Å; P429-V432 HydrophobicContact CG-CG2 4.12Å; P429-V432 PolarHBondContact O-N 3.01Å; P429-V432 VanDerWaalsContact O-N 3.16Å; P429-K433 WeakPolarHBondContact O-CG 3.33Å; P429-K433 PolarHBondContact O-N 3.49Å | ||
| 430 | L | 71.4 | Confident | 75.3 | Confident | 107 Ų | 107 | 30.1 Ų | 30.1 | 56% | 0.56 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -56.9 | -42.2 | -175.9 | -175.8 | 68.3 | 0 | 0 | 0 | 112.6 | K433 Q434 I486 | L430-K433 WeakPolarHBondContact O-CB 3.42Å; L430-K433 PolarHBondContact O-N 3.45Å; L430-Q434 WeakPolarHBondContact O-CG 3.36Å; L430-Q434 PolarHBondContact O-N 3.12Å; L430-I486 HydrophobicContact CD1-CD1 4.32Å |
| 431 | L | 71.7 | Confident | 74.5 | Confident | 37 Ų | 37 | 30.3 Ų | 30.3 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 178.1 | -167.8 | 101.1 | 0 | 0 | 0 | 111.8 | E391 L395 P429 K433 Q434 L435 | E391-L431 HydrophobicContact CG-CB 4.24Å; E391-L431 HydrophobicContact CG-CD2 3.57Å; E391-L431 WeakPolarHBondContact OE1-CB 3.36Å; L395-L431 HydrophobicContact CD1-CD2 3.74Å; L395-L431 HydrophobicContact CD2-CD2 3.74Å; L395-L431 HydrophobicContact CG-CD2 3.61Å; P429-L431 VanDerWaalsContact C-N 3.31Å; P429-L431 PolarHBondContact O-N 2.97Å; L431-K433 VanDerWaalsContact C-N 3.29Å; L431-K433 PolarHBondContact O-N 3.37Å; L431-Q434 WeakPolarHBondContact O-CB 3.36Å; L431-Q434 PolarHBondContact O-N 2.98Å; L431-L435 HydrophobicContact CD2-CD1 4.06Å; L431-L435 HydrophobicContact CG-CD1 4.19Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 3.15Å |
| 432 | V | 78.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | L390 E391 L428 P429 Q434 L435 V436 | L390-V432 HydrophobicContact CB-CG1 4.2Å; L390-V432 HydrophobicContact CB-CG2 3.91Å; E391-V432 HydrophobicContact CB-CG2 3.92Å; E391-V432 HydrophobicContact CG-CG2 4.39Å; L428-V432 HydrophobicContact CD1-CG1 4.49Å; L428-V432 HydrophobicContact CD2-CG1 4.24Å; P429-V432 HydrophobicContact CB-CB 4.38Å; P429-V432 HydrophobicContact CB-CG2 4.05Å; P429-V432 HydrophobicContact CG-CG2 4.12Å; P429-V432 PolarHBondContact O-N 3.01Å; P429-V432 VanDerWaalsContact O-N 3.16Å; V432-Q434 PolarHBondContact O-N 3.06Å; V432-L435 PolarHBondContact O-N 2.77Å; V432-V436 HydrophobicContact CG1-CG2 3.94Å; V432-V436 WeakPolarHBondContact O-CG2 3.39Å; V432-V436 PolarHBondContact O-N 2.96Å |
| 433 | K | 73.4 | Confident | 73.8 | Confident | 30 Ų | 30 | 32 Ų | 32 | 13% | 0.13 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.8 | -34.8 | 175 | -75.6 | 174.9 | 171.7 | 147.9 | 0 | 113.2 | Y425 S426 L428 P429 L430 L431 I486 | Y425-K433 HydrophobicContact CE1-CD 4.26Å; Y425-K433 HydrophobicContact CE1-CG 4.1Å; Y425-K433 HydrophobicContact CE2-CB 4.14Å; Y425-K433 HydrophobicContact CE2-CG 3.87Å; Y425-K433 WeakPolarHBondContact O-CE 3.44Å; Y425-K433 WeakPolarHBondContact OH-CB 3.23Å; Y425-K433 PolarHBondContact OH-O 2.91Å; S426-K433 PolarHBondContact O-NZ 3.5Å; L428-K433 HydrophobicContact CB-CG 3.8Å; L428-K433 WeakPolarHBondContact O-CD 3.36Å; L428-K433 WeakPolarHBondContact O-CE 3.43Å; L428-K433 PolarHBondContact O-NZ 3Å; P429-K433 WeakPolarHBondContact O-CG 3.33Å; P429-K433 PolarHBondContact O-N 3.49Å; L430-K433 WeakPolarHBondContact O-CB 3.42Å; L430-K433 PolarHBondContact O-N 3.45Å; L431-K433 VanDerWaalsContact C-N 3.29Å; L431-K433 PolarHBondContact O-N 3.37Å; K433-I486 HydrophobicContact CB-CD1 4.22Å |
| 434 | Q | 70.1 | Confident | 73.3 | Confident | 86 Ų | 86 | 31.1 Ų | 31.1 | 40% | 0.402 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -72 | -30.1 | 176 | -67.7 | 172.5 | -16.5 | 0 | 0 | 112.7 | L430 L431 V432 P437 I486 | L430-Q434 WeakPolarHBondContact O-CG 3.36Å; L430-Q434 PolarHBondContact O-N 3.12Å; L431-Q434 WeakPolarHBondContact O-CB 3.36Å; L431-Q434 PolarHBondContact O-N 2.98Å; V432-Q434 PolarHBondContact O-N 3.06Å; Q434-P437 WeakPolarHBondContact O-CD 3.5Å; Q434-I486 HydrophobicContact CB-CD1 4.23Å; Q434-I486 HydrophobicContact CG-CD1 3.2Å; Q434-I486 HydrophobicContact CG-CG1 3.83Å |
| 435 | L | 74.5 | Confident | 73.1 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 13% | 0.126 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -102.4 | -17.9 | -171.7 | -63.4 | 175.6 | 0 | 0 | 0 | 115.1 | L398 L431 V432 P437 T438 M439 | L398-L435 HydrophobicContact CD1-CD1 3.72Å; L398-L435 HydrophobicContact CD1-CD2 3.55Å; L398-L435 HydrophobicContact CD1-CG 4.27Å; L398-L435 HydrophobicContact CD2-CD2 4.12Å; L398-L435 HydrophobicContact CG-CD2 4.2Å; L431-L435 HydrophobicContact CD2-CD1 4.06Å; L431-L435 HydrophobicContact CG-CD1 4.19Å; L431-L435 WeakPolarHBondContact O-CG 3.46Å; L431-L435 PolarHBondContact O-N 3.15Å; V432-L435 PolarHBondContact O-N 2.77Å; L435-P437 VanDerWaalsContact C-N 3.25Å; L435-T438 PolarHBondContact O-N 3.12Å; L435-T438 VanDerWaalsContact O-N 3.12Å; L435-M439 PolarHBondContact O-N 2.85Å; L435-M439 VanDerWaalsContact O-N 3.09Å |
| 436 | V | 76.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -45.5 | -43.4 | 172.3 | 162.4 | 0 | 0 | 0 | 0 | 112.9 | W416 Y420 Y425 L428 V432 M439 L440 F496 | W416-V436 HydrophobicContact CH2-CB 4.35Å; W416-V436 HydrophobicContact CH2-CG1 4.47Å; W416-V436 HydrophobicContact CH2-CG2 4.01Å; W416-V436 HydrophobicContact CZ2-CB 4.44Å; W416-V436 HydrophobicContact CZ2-CG2 3.8Å; Y420-V436 HydrophobicContact CD2-CG2 4.05Å; Y420-V436 HydrophobicContact CE2-CG1 3.89Å; Y420-V436 HydrophobicContact CE2-CG2 3.74Å; Y425-V436 HydrophobicContact CE2-CB 4.47Å; Y425-V436 HydrophobicContact CE2-CG1 4.41Å; L428-V436 HydrophobicContact CD1-CG2 4.11Å; V432-V436 HydrophobicContact CG1-CG2 3.94Å; V432-V436 WeakPolarHBondContact O-CG2 3.39Å; V432-V436 PolarHBondContact O-N 2.96Å; V436-M439 PolarHBondContact O-N 3.37Å; V436-L440 HydrophobicContact CG1-CD1 3.6Å; V436-L440 HydrophobicContact CG1-CG 4.28Å; V436-L440 WeakPolarHBondContact O-CB 3.41Å; V436-L440 WeakPolarHBondContact O-CG 3.4Å; V436-L440 PolarHBondContact O-N 3.12Å; V436-F496 HydrophobicContact CG1-CZ 4.46Å |
| 437 | P | 67.5 | Low | 73.4 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -54.1 | 176.4 | -18.4 | 29 | 0 | 0 | 0 | 113.1 | Q434 L435 M439 L440 T441 T492 F496 L573 | Q434-P437 WeakPolarHBondContact O-CD 3.5Å; L435-P437 VanDerWaalsContact C-N 3.25Å; P437-M439 VanDerWaalsContact C-N 3.29Å; P437-M439 PolarHBondContact O-N 3.4Å; P437-L440 PolarHBondContact O-N 3.38Å; P437-T441 PolarHBondContact O-N 2.62Å; P437-T441 PolarHBondContact O-OG1 2.73Å; P437-T492 HydrophobicContact CB-CG2 4.34Å; P437-T492 HydrophobicContact CG-CG2 4.15Å; P437-F496 HydrophobicContact CB-CD2 4.35Å; P437-F496 HydrophobicContact CB-CE1 4.19Å; P437-F496 HydrophobicContact CB-CE2 3.41Å; P437-F496 VanDerWaalsContact CB-CE2 3.41Å; P437-F496 HydrophobicContact CB-CZ 3.34Å; P437-F496 HydrophobicContact CG-CE2 3.47Å; P437-F496 VanDerWaalsContact CG-CE2 3.47Å; P437-F496 HydrophobicContact CG-CZ 3.52Å; P437-L573 HydrophobicContact CB-CD2 4.49Å |
| 438 | T | 69 | Low | 73.3 | Confident | 11 Ų | 11 | 32.2 Ų | 32.2 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.7 | -46.1 | -179.7 | -36.5 | 0 | 0 | 0 | 0 | 111.3 | L435 T441 Y442 F570 L573 | L435-T438 PolarHBondContact O-N 3.12Å; L435-T438 VanDerWaalsContact O-N 3.12Å; T438-T441 WeakPolarHBondContact O-CB 3.24Å; T438-T441 PolarHBondContact O-N 3.35Å; T438-Y442 PolarHBondContact O-N 2.78Å; T438-Y442 VanDerWaalsContact O-N 3.14Å; T438-F570 HydrophobicContact CG2-CE2 4.13Å; T438-F570 HydrophobicContact CG2-CZ 4.11Å; T438-L573 HydrophobicContact CG2-CD1 4.15Å; T438-L573 WeakPolarHBondContact OG1-CD1 3.43Å |
| 439 | M | 77.2 | Confident | 73 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.6 | -46.2 | -177.3 | -80.3 | -69.7 | -146.7 | 0 | 0 | 113.8 | L393 F397 L413 W416 L435 V436 P437 T441 Y442 S443 | L393-M439 WeakPolarHBondContact O-CE 3.49Å; F397-M439 HydrophobicContact CB-CE 3.2Å; F397-M439 HydrophobicContact CB-SD 3.87Å; F397-M439 HydrophobicContact CD1-CE 4.04Å; F397-M439 HydrophobicContact CD1-SD 3.5Å; F397-M439 VanDerWaalsContact CD1-SD 3.5Å; F397-M439 HydrophobicContact CD2-CE 4.06Å; F397-M439 HydrophobicContact CD2-SD 3.89Å; F397-M439 HydrophobicContact CE1-SD 4.04Å; F397-M439 HydrophobicContact CE2-SD 4.39Å; F397-M439 HydrophobicContact CG-CE 3.5Å; F397-M439 VanDerWaalsContact CG-CE 3.5Å; F397-M439 HydrophobicContact CG-SD 3.45Å; F397-M439 WeakPolarHBondContact CG-SD 3.36Å; F397-M439 HydrophobicContact CZ-SD 4.47Å; L413-M439 HydrophobicContact CD1-SD 4.03Å; W416-M439 HydrophobicContact CD2-CB 4.27Å; W416-M439 HydrophobicContact CD2-CE 4.41Å; W416-M439 HydrophobicContact CD2-CG 4.29Å; W416-M439 HydrophobicContact CE3-CB 4.03Å; W416-M439 HydrophobicContact CG-CE 4.2Å; W416-M439 HydrophobicContact CH2-CB 3.42Å; W416-M439 VanDerWaalsContact CH2-CB 3.42Å; W416-M439 HydrophobicContact CH2-CG 4.18Å; W416-M439 HydrophobicContact CZ2-CB 3.63Å; W416-M439 HydrophobicContact CZ2-CG 3.87Å; W416-M439 HydrophobicContact CZ3-CB 3.62Å; W416-M439 HydrophobicContact CZ3-CG 4.48Å; L435-M439 PolarHBondContact O-N 2.85Å; L435-M439 VanDerWaalsContact O-N 3.09Å; V436-M439 PolarHBondContact O-N 3.37Å; P437-M439 VanDerWaalsContact C-N 3.29Å; P437-M439 PolarHBondContact O-N 3.4Å; M439-T441 VanDerWaalsContact C-N 3.29Å; M439-T441 PolarHBondContact O-N 3.29Å; M439-Y442 PolarHBondContact O-N 3.12Å; M439-S443 WeakPolarHBondContact O-CB 3.44Å; M439-S443 PolarHBondContact O-N 3.13Å; M439-S443 PolarHBondContact O-OG 3.33Å |
| 440 | L | 75.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 178 | -71.9 | 174.9 | 0 | 0 | 0 | 111.3 | W416 L417 Y420 V436 P437 S443 A444 I459 F496 | W416-L440 HydrophobicContact CH2-CD2 4.36Å; W416-L440 HydrophobicContact CH2-CG 4.13Å; W416-L440 HydrophobicContact CZ3-CD2 3.9Å; W416-L440 HydrophobicContact CZ3-CG 4.12Å; L417-L440 HydrophobicContact CD2-CD2 3.82Å; Y420-L440 HydrophobicContact CE1-CD1 4.34Å; Y420-L440 HydrophobicContact CE1-CD2 4.46Å; V436-L440 HydrophobicContact CG1-CD1 3.6Å; V436-L440 HydrophobicContact CG1-CG 4.28Å; V436-L440 WeakPolarHBondContact O-CB 3.41Å; V436-L440 WeakPolarHBondContact O-CG 3.4Å; V436-L440 PolarHBondContact O-N 3.12Å; P437-L440 PolarHBondContact O-N 3.38Å; L440-S443 PolarHBondContact O-N 3.1Å; L440-A444 WeakPolarHBondContact O-CB 3.39Å; L440-A444 PolarHBondContact O-N 3Å; L440-I459 HydrophobicContact CB-CD1 4.27Å; L440-I459 HydrophobicContact CB-CG1 3.73Å; L440-I459 HydrophobicContact CD1-CG1 3.93Å; L440-I459 HydrophobicContact CD2-CG1 4.34Å; L440-I459 HydrophobicContact CG-CG1 4.21Å; L440-F496 HydrophobicContact CB-CE1 4.37Å; L440-F496 HydrophobicContact CD1-CE1 3.99Å |
| 441 | T | 68.7 | Low | 73.3 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -51.6 | 174.7 | -46.4 | 0 | 0 | 0 | 0 | 111.8 | P437 T438 M439 S443 A444 S445 I499 V569 | P437-T441 PolarHBondContact O-N 2.62Å; P437-T441 PolarHBondContact O-OG1 2.73Å; T438-T441 WeakPolarHBondContact O-CB 3.24Å; T438-T441 PolarHBondContact O-N 3.35Å; M439-T441 VanDerWaalsContact C-N 3.29Å; M439-T441 PolarHBondContact O-N 3.29Å; T441-S443 VanDerWaalsContact C-N 3.34Å; T441-S443 PolarHBondContact O-N 3.04Å; T441-A444 VanDerWaalsContact O-CB 3.32Å; T441-A444 WeakPolarHBondContact O-CB 2.77Å; T441-A444 PolarHBondContact O-N 3.24Å; T441-S445 PolarHBondContact O-N 3.04Å; T441-S445 PolarHBondContact O-OG 2.94Å; T441-I499 HydrophobicContact CG2-CD1 3.48Å; T441-I499 VanDerWaalsContact CG2-CD1 3.48Å; T441-I499 HydrophobicContact CG2-CG1 3.6Å; T441-I499 WeakPolarHBondContact OG1-CD1 3.44Å; T441-V569 HydrophobicContact CG2-CB 4.23Å; T441-V569 HydrophobicContact CG2-CG1 3.84Å; T441-V569 HydrophobicContact CG2-CG2 4.15Å |
| 442 | Y | 72 | Confident | 73.6 | Confident | 85 Ų | 85 | 29 Ų | 29 | 33% | 0.333 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.1 | -40.6 | -178.7 | -176.7 | -88.9 | 0 | 0 | 0 | 111.9 | F397 L413 T438 M439 A444 S445 H446 | F397-Y442 HydrophobicContact CE1-CD1 4.32Å; F397-Y442 HydrophobicContact CE1-CD2 4.36Å; F397-Y442 HydrophobicContact CE1-CG 4.06Å; F397-Y442 AromaticContact CE2-CD1 3.86Å; F397-Y442 HydrophobicContact CE2-CD1 3.86Å; F397-Y442 AromaticContact CE2-CE1 3.86Å; F397-Y442 HydrophobicContact CE2-CE1 3.86Å; F397-Y442 HydrophobicContact CE2-CG 4.4Å; F397-Y442 AromaticContact CZ-CD1 3.31Å; F397-Y442 HydrophobicContact CZ-CD1 3.31Å; F397-Y442 AromaticContact CZ-CD2 3.81Å; F397-Y442 HydrophobicContact CZ-CD2 3.81Å; F397-Y442 AromaticContact CZ-CE1 3.58Å; F397-Y442 HydrophobicContact CZ-CE1 3.58Å; F397-Y442 HydrophobicContact CZ-CE2 4.05Å; F397-Y442 AromaticContact CZ-CG 3.41Å; F397-Y442 HydrophobicContact CZ-CG 3.41Å; F397-Y442 VanDerWaalsContact CZ-CG 3.41Å; F397-Y442 AromaticContact CZ-CZ 3.93Å; L413-Y442 HydrophobicContact CD1-CD1 4.46Å; L413-Y442 HydrophobicContact CD2-CD1 3.85Å; L413-Y442 HydrophobicContact CD2-CE1 4.04Å; T438-Y442 PolarHBondContact O-N 2.78Å; T438-Y442 VanDerWaalsContact O-N 3.14Å; M439-Y442 PolarHBondContact O-N 3.12Å; Y442-A444 VanDerWaalsContact C-N 3.3Å; Y442-A444 PolarHBondContact O-N 2.84Å; Y442-S445 PolarHBondContact O-N 3.41Å; Y442-S445 PolarHBondContact O-OG 2.94Å; Y442-H446 PolarHBondContact O-N 3.29Å |
| 443 | S | 77.4 | Confident | 73.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -33.8 | 178 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | L413 M439 L440 T441 S445 H446 A455 | L413-S443 WeakPolarHBondContact CD1-OG 3.48Å; L413-S443 WeakPolarHBondContact CG-OG 3.28Å; M439-S443 WeakPolarHBondContact O-CB 3.44Å; M439-S443 PolarHBondContact O-N 3.13Å; M439-S443 PolarHBondContact O-OG 3.33Å; L440-S443 PolarHBondContact O-N 3.1Å; T441-S443 VanDerWaalsContact C-N 3.34Å; T441-S443 PolarHBondContact O-N 3.04Å; S443-S445 VanDerWaalsContact C-N 3.33Å; S443-H446 VanDerWaalsContact O-CB 3.23Å; S443-H446 WeakPolarHBondContact O-CB 2.83Å; S443-H446 PolarHBondContact O-N 3.08Å; S443-A455 VanDerWaalsContact CB-CB 3.44Å |
| 444 | A | 69.6 | Low | 73.9 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 5% | 0.05 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L440 T441 Y442 H446 I459 I499 C503 | L440-A444 WeakPolarHBondContact O-CB 3.39Å; L440-A444 PolarHBondContact O-N 3Å; T441-A444 VanDerWaalsContact O-CB 3.32Å; T441-A444 WeakPolarHBondContact O-CB 2.77Å; T441-A444 PolarHBondContact O-N 3.24Å; Y442-A444 VanDerWaalsContact C-N 3.3Å; Y442-A444 PolarHBondContact O-N 2.84Å; A444-H446 VanDerWaalsContact C-N 3.33Å; A444-I459 HydrophobicContact CB-CD1 4.14Å; A444-I499 HydrophobicContact CB-CG2 3.4Å; A444-I499 VanDerWaalsContact CB-CG2 3.4Å; A444-C503 VanDerWaalsContact CA-SG 3.53Å; A444-C503 WeakPolarHBondContact CB-SG 3.35Å |
| 445 | S | 68.1 | Low | 74.4 | Confident | 41 Ų | 41 | 24.4 Ų | 24.4 | 29% | 0.287 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8.1 | 176.5 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | T441 Y442 S443 | T441-S445 PolarHBondContact O-N 3.04Å; T441-S445 PolarHBondContact O-OG 2.94Å; Y442-S445 PolarHBondContact O-N 3.41Å; Y442-S445 PolarHBondContact O-OG 2.94Å; S443-S445 VanDerWaalsContact C-N 3.33Å |
| 446 | H | 75.4 | Confident | 74.6 | Confident | 19 Ų | 19 | 23.3 Ų | 23.3 | 9% | 0.088 | 11% | 0.113 | C | C | . | . | trans | -72.1 | 149.9 | -175.5 | -158.6 | -91.3 | 0 | 0 | 0 | 112.6 | E410 Y442 S443 A444 N448 V451 R452 | E410-H446 IonicContact OE1-CE1 2.63Å; E410-H446 PolarHBondContact OE1-CE1 3.13Å; E410-H446 IonicContact OE1-ND1 3.7Å; E410-H446 IonicContact OE2-CE1 3.57Å; Y442-H446 PolarHBondContact O-N 3.29Å; S443-H446 VanDerWaalsContact O-CB 3.23Å; S443-H446 WeakPolarHBondContact O-CB 2.83Å; S443-H446 PolarHBondContact O-N 3.08Å; A444-H446 VanDerWaalsContact C-N 3.33Å; H446-N448 VanDerWaalsContact C-N 3.26Å; H446-N448 WeakPolarHBondContact ND1-CB 3.46Å; H446-N448 PolarHBondContact ND1-N 3.29Å; H446-N448 PolarHBondContact O-N 2.96Å; H446-V451 HydrophobicContact CB-CB 4.02Å; H446-V451 HydrophobicContact CB-CG1 3.64Å; H446-R452 HydrophobicContact CB-CG 4.47Å; H446-R452 WeakPolarHBondContact O-CD 3.32Å; H446-R452 WeakPolarHBondContact O-CG 3.11Å; H446-R452 PolarHBondContact O-NE 3.42Å | ||
| 447 | H | 72.4 | Confident | 74.8 | Confident | 146 Ų | 146 | 25.6 Ų | 25.6 | 68% | 0.676 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -71.1 | -19.2 | -179.1 | 67.5 | -82.8 | 0 | 0 | 0 | 113.7 | E410 | E410-H447 IonicContact OE2-CE1 2.66Å; E410-H447 IonicContact OE2-NE2 3.48Å |
| 448 | N | 74.7 | Confident | 75.2 | Confident | 52 Ų | 52 | 25.6 Ų | 25.6 | 28% | 0.278 | 13% | 0.126 | S | C | . | . | trans | -91.3 | 119.2 | -177.4 | -173.2 | -21 | 0 | 0 | 0 | 112.2 | E410 H446 Y450 V451 R452 | E410-N448 WeakPolarHBondContact OE1-CB 3.46Å; E410-N448 PolarHBondContact OE1-ND2 3.43Å; H446-N448 VanDerWaalsContact C-N 3.26Å; H446-N448 WeakPolarHBondContact ND1-CB 3.46Å; H446-N448 PolarHBondContact ND1-N 3.29Å; H446-N448 PolarHBondContact O-N 2.96Å; N448-Y450 PolarHBondContact O-N 3.18Å; N448-Y450 VanDerWaalsContact O-N 3.16Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.18Å; N448-Y450 PolarHBondContact OD1-N 3.23Å; N448-V451 HydrophobicContact CB-CB 4.28Å; N448-V451 HydrophobicContact CB-CG2 3.83Å; N448-V451 PolarHBondContact O-N 3.12Å; N448-V451 VanDerWaalsContact O-N 3.13Å; N448-R452 PolarHBondContact O-N 3.38Å; N448-R452 VanDerWaalsContact O-N 3.09Å | ||
| 449 | D | 73.2 | Confident | 75.6 | Confident | 32 Ų | 32 | 25 Ų | 25 | 17% | 0.171 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53 | -35 | 178.3 | -78.5 | -16.8 | 0 | 0 | 0 | 113.6 | R452 I453 F507 Y515 | D449-R452 PolarHBondContact O-N 3.12Å; D449-R452 IonicContact OD1-CZ 2.63Å; D449-R452 IonicContact OD1-NE 2.72Å; D449-R452 IonicContact OD1-NH2 3.93Å; D449-R452 PolarHBondContact OD1-NH2 2.85Å; D449-I453 PolarHBondContact O-N 2.7Å; D449-F507 WeakPolarHBondContact O-CZ 3.48Å; D449-Y515 HydrophobicContact CB-CD2 4.02Å; D449-Y515 HydrophobicContact CB-CE2 4.3Å |
| 450 | Y | 75.4 | Confident | 75.5 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.9 | -41 | -179.6 | -178.4 | -114.5 | 0 | 0 | 0 | 112.3 | H349 L414 N448 R452 I453 L454 Y515 | H349-Y450 AromaticContact CE1-CE2 3.65Å; H349-Y450 AromaticContact CE1-CZ 3.33Å; H349-Y450 PolarHBondContact CE1-OH 2.92Å; H349-Y450 AromaticContact NE2-CE2 3.8Å; H349-Y450 AromaticContact NE2-CZ 3.77Å; H349-Y450 PolarHBondContact NE2-OH 3.32Å; H349-Y450 VanDerWaalsContact NE2-OH 3.11Å; L414-Y450 HydrophobicContact CD2-CD1 3.5Å; L414-Y450 VanDerWaalsContact CD2-CD1 3.5Å; L414-Y450 HydrophobicContact CD2-CE1 3.66Å; N448-Y450 PolarHBondContact O-N 3.18Å; N448-Y450 VanDerWaalsContact O-N 3.16Å; N448-Y450 WeakPolarHBondContact OD1-CB 3.18Å; N448-Y450 PolarHBondContact OD1-N 3.23Å; Y450-R452 VanDerWaalsContact C-N 3.35Å; Y450-I453 HydrophobicContact CD2-CG2 4.4Å; Y450-I453 WeakPolarHBondContact O-CG2 3.45Å; Y450-I453 PolarHBondContact O-N 3.18Å; Y450-L454 HydrophobicContact CD1-CD1 4.22Å; Y450-L454 HydrophobicContact CE1-CD1 3.62Å; Y450-L454 HydrophobicContact CE2-CD1 4.18Å; Y450-L454 HydrophobicContact CE2-CG 4.29Å; Y450-L454 WeakPolarHBondContact O-CG 3.05Å; Y450-L454 PolarHBondContact O-N 2.81Å; Y450-Y515 AromaticContact CD2-CE1 3.93Å; Y450-Y515 HydrophobicContact CD2-CE1 3.93Å; Y450-Y515 AromaticContact CD2-CZ 3.84Å; Y450-Y515 WeakPolarHBondContact CD2-OH 3.19Å |
| 451 | V | 79.7 | Confident | 75.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | E410 L413 L414 L417 H446 N448 I453 L454 A455 | E410-V451 HydrophobicContact CG-CG2 4.36Å; L413-V451 HydrophobicContact CD2-CG1 3.88Å; L414-V451 HydrophobicContact CD1-CG2 4.31Å; L414-V451 HydrophobicContact CD2-CB 4.27Å; L414-V451 HydrophobicContact CD2-CG2 3.43Å; L414-V451 VanDerWaalsContact CD2-CG2 3.43Å; L414-V451 HydrophobicContact CG-CG2 3.79Å; L417-V451 HydrophobicContact CD1-CG1 3.72Å; H446-V451 HydrophobicContact CB-CB 4.02Å; H446-V451 HydrophobicContact CB-CG1 3.64Å; N448-V451 HydrophobicContact CB-CB 4.28Å; N448-V451 HydrophobicContact CB-CG2 3.83Å; N448-V451 PolarHBondContact O-N 3.12Å; N448-V451 VanDerWaalsContact O-N 3.13Å; V451-I453 VanDerWaalsContact C-N 3.35Å; V451-I453 PolarHBondContact O-N 3.19Å; V451-L454 PolarHBondContact O-N 3.35Å; V451-A455 WeakPolarHBondContact O-CB 3.23Å; V451-A455 PolarHBondContact O-N 3.34Å |
| 452 | R | 77.8 | Confident | 75.6 | Confident | 41 Ų | 41 | 29.7 Ų | 29.7 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | -179 | -66.9 | -166.1 | -75.9 | -154.5 | 0.8 | 112.8 | H446 N448 D449 Y450 A455 L456 F507 | H446-R452 HydrophobicContact CB-CG 4.47Å; H446-R452 WeakPolarHBondContact O-CD 3.32Å; H446-R452 WeakPolarHBondContact O-CG 3.11Å; H446-R452 PolarHBondContact O-NE 3.42Å; N448-R452 PolarHBondContact O-N 3.38Å; N448-R452 VanDerWaalsContact O-N 3.09Å; D449-R452 PolarHBondContact O-N 3.12Å; D449-R452 IonicContact OD1-CZ 2.63Å; D449-R452 IonicContact OD1-NE 2.72Å; D449-R452 IonicContact OD1-NH2 3.93Å; D449-R452 PolarHBondContact OD1-NH2 2.85Å; Y450-R452 VanDerWaalsContact C-N 3.35Å; R452-A455 PolarHBondContact O-N 2.83Å; R452-L456 WeakPolarHBondContact O-CB 3.36Å; R452-L456 PolarHBondContact O-N 3.22Å; R452-F507 HydrophobicContact CB-CD2 4.48Å; R452-F507 HydrophobicContact CB-CE2 3.44Å; R452-F507 VanDerWaalsContact CB-CE2 3.44Å; R452-F507 HydrophobicContact CB-CZ 3.65Å |
| 453 | I | 79.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.7 | -36.1 | -177.3 | -163.2 | 63.7 | 0 | 0 | 0 | 111.3 | D449 Y450 V451 L456 N457 F507 Y515 Q518 F519 I522 | D449-I453 PolarHBondContact O-N 2.7Å; Y450-I453 HydrophobicContact CD2-CG2 4.4Å; Y450-I453 WeakPolarHBondContact O-CG2 3.45Å; Y450-I453 PolarHBondContact O-N 3.18Å; V451-I453 VanDerWaalsContact C-N 3.35Å; V451-I453 PolarHBondContact O-N 3.19Å; I453-L456 HydrophobicContact CD1-CD2 4.29Å; I453-N457 WeakPolarHBondContact O-CB 3.4Å; I453-N457 PolarHBondContact O-N 2.95Å; I453-F507 HydrophobicContact CB-CE1 4.14Å; I453-F507 HydrophobicContact CB-CE2 4.27Å; I453-F507 HydrophobicContact CB-CZ 3.52Å; I453-F507 HydrophobicContact CD1-CE1 4.02Å; I453-F507 HydrophobicContact CD1-CE2 4.15Å; I453-F507 HydrophobicContact CD1-CZ 3.82Å; I453-F507 HydrophobicContact CG1-CZ 4.23Å; I453-F507 VanDerWaalsContact N-CZ 3.31Å; I453-Y515 HydrophobicContact CG2-CD1 4Å; I453-Y515 HydrophobicContact CG2-CE1 4.44Å; I453-Y515 HydrophobicContact CG2-CG 4.34Å; I453-Q518 HydrophobicContact CD1-CB 4.1Å; I453-Q518 HydrophobicContact CG1-CB 3.97Å; I453-F519 HydrophobicContact CD1-CB 3.94Å; I453-I522 HydrophobicContact CD1-CD1 4.22Å |
| 454 | L | 78.7 | Confident | 74.9 | Confident | 18 Ų | 18 | 27.1 Ų | 27.1 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 173.3 | -72.3 | 177.4 | 0 | 0 | 0 | 111.3 | L414 L417 Y450 V451 N457 G458 | L414-L454 HydrophobicContact CD2-CD1 4.07Å; L417-L454 HydrophobicContact CB-CB 4.07Å; L417-L454 HydrophobicContact CB-CD1 4.25Å; L417-L454 HydrophobicContact CD1-CB 4.11Å; Y450-L454 HydrophobicContact CD1-CD1 4.22Å; Y450-L454 HydrophobicContact CE1-CD1 3.62Å; Y450-L454 HydrophobicContact CE2-CD1 4.18Å; Y450-L454 HydrophobicContact CE2-CG 4.29Å; Y450-L454 WeakPolarHBondContact O-CG 3.05Å; Y450-L454 PolarHBondContact O-N 2.81Å; V451-L454 PolarHBondContact O-N 3.35Å; L454-N457 PolarHBondContact O-N 3.21Å; L454-G458 PolarHBondContact O-N 3.07Å |
| 455 | A | 79.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L417 S443 V451 R452 N457 G458 I459 | L417-A455 HydrophobicContact CD2-CB 4.17Å; S443-A455 VanDerWaalsContact CB-CB 3.44Å; V451-A455 WeakPolarHBondContact O-CB 3.23Å; V451-A455 PolarHBondContact O-N 3.34Å; R452-A455 PolarHBondContact O-N 2.83Å; A455-N457 VanDerWaalsContact C-N 3.34Å; A455-N457 PolarHBondContact O-N 3.08Å; A455-G458 CarbonylContact O-C 3.6Å; A455-G458 WeakPolarHBondContact O-CA 3.42Å; A455-G458 PolarHBondContact O-N 3.3Å; A455-I459 VanDerWaalsContact O-CG1 3.29Å; A455-I459 WeakPolarHBondContact O-CG1 3.43Å; A455-I459 PolarHBondContact O-N 3.3Å |
| 456 | L | 78.9 | Confident | 74.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 178.3 | -176.4 | 70.4 | 0 | 0 | 0 | 112.1 | R452 I453 G458 I459 H460 Y500 C503 F507 F519 I522 | R452-L456 WeakPolarHBondContact O-CB 3.36Å; R452-L456 PolarHBondContact O-N 3.22Å; I453-L456 HydrophobicContact CD1-CD2 4.29Å; L456-G458 VanDerWaalsContact C-N 3.27Å; L456-G458 PolarHBondContact O-N 3.47Å; L456-I459 PolarHBondContact O-N 3.08Å; L456-H460 VanDerWaalsContact O-CB 3.29Å; L456-H460 WeakPolarHBondContact O-CB 3.23Å; L456-H460 PolarHBondContact O-N 3.44Å; L456-Y500 HydrophobicContact CD1-CD2 3.54Å; L456-Y500 HydrophobicContact CD1-CE2 3.6Å; L456-Y500 HydrophobicContact CD1-CG 4.47Å; L456-C503 HydrophobicContact CD1-CB 3.66Å; L456-F507 HydrophobicContact CD2-CD2 4.37Å; L456-F519 HydrophobicContact CD2-CD2 3.33Å; L456-F519 HydrophobicContact CD2-CE2 3.78Å; L456-F519 HydrophobicContact CD2-CG 4.43Å; L456-I522 HydrophobicContact CD2-CD1 4.39Å; L456-I522 HydrophobicContact CD2-CG2 4.14Å; L456-I522 HydrophobicContact CG-CD1 4.49Å; L456-I522 HydrophobicContact CG-CG2 3.92Å |
| 457 | N | 79.9 | Confident | 73.6 | Confident | 49 Ų | 49 | 26.8 Ų | 26.8 | 26% | 0.262 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 174.9 | -167.4 | 14 | 0 | 0 | 0 | 111.3 | I453 L454 A455 H460 K461 I522 | I453-N457 WeakPolarHBondContact O-CB 3.4Å; I453-N457 PolarHBondContact O-N 2.95Å; L454-N457 PolarHBondContact O-N 3.21Å; A455-N457 VanDerWaalsContact C-N 3.34Å; A455-N457 PolarHBondContact O-N 3.08Å; N457-H460 PolarHBondContact O-N 2.98Å; N457-K461 WeakPolarHBondContact O-CG 3.2Å; N457-K461 PolarHBondContact O-N 3.11Å; N457-I522 HydrophobicContact CB-CD1 3.75Å |
| 458 | G | 77.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y420 L454 A455 L456 H460 K461 F462 | Y420-G458 VanDerWaalsContact CE1-CA 3.46Å; Y420-G458 PolarHBondContact OH-O 3.34Å; L454-G458 PolarHBondContact O-N 3.07Å; A455-G458 CarbonylContact O-C 3.6Å; A455-G458 WeakPolarHBondContact O-CA 3.42Å; A455-G458 PolarHBondContact O-N 3.3Å; L456-G458 VanDerWaalsContact C-N 3.27Å; L456-G458 PolarHBondContact O-N 3.47Å; G458-H460 VanDerWaalsContact C-N 3.34Å; G458-K461 PolarHBondContact O-N 2.98Å; G458-F462 WeakPolarHBondContact O-CB 3.32Å; G458-F462 PolarHBondContact O-N 3.05Å |
| 459 | I | 76.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 173.7 | -65.8 | 163.2 | 0 | 0 | 0 | 110 | L440 A444 A455 L456 F462 L463 F496 I499 Y500 | L440-I459 HydrophobicContact CB-CD1 4.27Å; L440-I459 HydrophobicContact CB-CG1 3.73Å; L440-I459 HydrophobicContact CD1-CG1 3.93Å; L440-I459 HydrophobicContact CD2-CG1 4.34Å; L440-I459 HydrophobicContact CG-CG1 4.21Å; A444-I459 HydrophobicContact CB-CD1 4.14Å; A455-I459 VanDerWaalsContact O-CG1 3.29Å; A455-I459 WeakPolarHBondContact O-CG1 3.43Å; A455-I459 PolarHBondContact O-N 3.3Å; L456-I459 PolarHBondContact O-N 3.08Å; I459-F462 WeakPolarHBondContact O-CB 3.25Å; I459-F462 PolarHBondContact O-N 2.85Å; I459-L463 HydrophobicContact CG2-CD1 3.7Å; I459-L463 HydrophobicContact CG2-CG 4.38Å; I459-L463 WeakPolarHBondContact O-CB 3.31Å; I459-L463 WeakPolarHBondContact O-CG 3.47Å; I459-L463 PolarHBondContact O-N 2.94Å; I459-F496 HydrophobicContact CG2-CD1 4.33Å; I459-I499 HydrophobicContact CD1-CG2 3.6Å; I459-Y500 HydrophobicContact CG2-CD2 4.03Å; I459-Y500 HydrophobicContact CG2-CG 4.46Å |
| 460 | H | 76.5 | Confident | 70.6 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -51.3 | 176.4 | 171.1 | 65.7 | 0 | 0 | 0 | 112.4 | L456 N457 G458 F462 L463 C464 I522 N525 S526 | L456-H460 VanDerWaalsContact O-CB 3.29Å; L456-H460 WeakPolarHBondContact O-CB 3.23Å; L456-H460 PolarHBondContact O-N 3.44Å; N457-H460 PolarHBondContact O-N 2.98Å; G458-H460 VanDerWaalsContact C-N 3.34Å; H460-F462 VanDerWaalsContact C-N 3.28Å; H460-F462 PolarHBondContact O-N 3.48Å; H460-L463 PolarHBondContact O-N 3.31Å; H460-C464 PolarHBondContact CE1-SG 3.29Å; H460-C464 PolarHBondContact ND1-SG 3.42Å; H460-C464 WeakPolarHBondContact O-CB 3.09Å; H460-C464 PolarHBondContact O-N 3.47Å; H460-C464 PolarHBondContact O-SG 3.39Å; H460-I522 HydrophobicContact CB-CG2 3.49Å; H460-I522 VanDerWaalsContact CB-CG2 3.49Å; H460-N525 WeakPolarHBondContact CE1-CB 3.35Å; H460-N525 WeakPolarHBondContact NE2-CB 3.2Å; H460-S526 PolarHBondContact CE1-N 3.04Å; H460-S526 PolarHBondContact CE1-OG 3.05Å; H460-S526 PolarHBondContact ND1-OG 3.03Å |
| 461 | K | 74.2 | Confident | 69.2 | Low | 80 Ų | 80 | 31.1 Ų | 31.1 | 35% | 0.348 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 176.4 | -78.6 | -172.1 | 177.5 | -165.6 | 0 | 111.7 | S421 N457 G458 K465 | S421-K461 PolarHBondContact O-NZ 3.3Å; N457-K461 WeakPolarHBondContact O-CG 3.2Å; N457-K461 PolarHBondContact O-N 3.11Å; G458-K461 PolarHBondContact O-N 2.98Å; K461-K465 VanDerWaalsContact O-CB 3.31Å; K461-K465 WeakPolarHBondContact O-CB 3.36Å; K461-K465 PolarHBondContact O-N 3Å; K461-K465 VanDerWaalsContact O-N 3.08Å |
| 462 | F | 71.8 | Confident | 67.4 | Low | 12 Ų | 12 | 39 Ų | 39 | 5% | 0.053 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -53 | 177 | 179.2 | -104.3 | 0 | 0 | 0 | 111.4 | Y420 Y425 G458 I459 H460 K465 Y466 F496 | Y420-F462 WeakPolarHBondContact OH-CB 3.48Å; Y425-F462 HydrophobicContact CD1-CD2 4.39Å; Y425-F462 HydrophobicContact CD1-CE2 4.15Å; Y425-F462 AromaticContact CD2-CD2 3.45Å; Y425-F462 HydrophobicContact CD2-CD2 3.45Å; Y425-F462 VanDerWaalsContact CD2-CD2 3.45Å; Y425-F462 AromaticContact CD2-CE2 3.65Å; Y425-F462 HydrophobicContact CD2-CE2 3.65Å; Y425-F462 AromaticContact CE1-CE2 3.85Å; Y425-F462 HydrophobicContact CE1-CE2 3.85Å; Y425-F462 AromaticContact CE2-CD2 3.6Å; Y425-F462 HydrophobicContact CE2-CD2 3.6Å; Y425-F462 AromaticContact CE2-CE2 3.31Å; Y425-F462 HydrophobicContact CE2-CE2 3.31Å; Y425-F462 HydrophobicContact CE2-CZ 4.49Å; Y425-F462 AromaticContact CG-CD2 3.89Å; Y425-F462 HydrophobicContact CG-CD2 3.89Å; Y425-F462 HydrophobicContact CG-CE2 4.06Å; Y425-F462 AromaticContact CZ-CE2 3.43Å; Y425-F462 VanDerWaalsContact CZ-CE2 3.43Å; G458-F462 WeakPolarHBondContact O-CB 3.32Å; G458-F462 PolarHBondContact O-N 3.05Å; I459-F462 WeakPolarHBondContact O-CB 3.25Å; I459-F462 PolarHBondContact O-N 2.85Å; H460-F462 VanDerWaalsContact C-N 3.28Å; H460-F462 PolarHBondContact O-N 3.48Å; F462-K465 PolarHBondContact O-N 3.41Å; F462-Y466 HydrophobicContact CE1-CD2 4.47Å; F462-Y466 HydrophobicContact CZ-CD2 4.15Å; F462-Y466 VanDerWaalsContact O-CB 3.27Å; F462-Y466 WeakPolarHBondContact O-CB 3.43Å; F462-Y466 PolarHBondContact O-N 2.99Å; F462-F496 HydrophobicContact CD1-CD1 4.18Å; F462-F496 HydrophobicContact CD1-CD2 4.08Å; F462-F496 AromaticContact CD1-CE1 3.91Å; F462-F496 HydrophobicContact CD1-CE1 3.91Å; F462-F496 AromaticContact CD1-CE2 3.79Å; F462-F496 HydrophobicContact CD1-CE2 3.79Å; F462-F496 HydrophobicContact CD1-CG 4.23Å; F462-F496 AromaticContact CD1-CZ 3.65Å; F462-F496 HydrophobicContact CD1-CZ 3.65Å; F462-F496 HydrophobicContact CE1-CD1 4.48Å; F462-F496 AromaticContact CE1-CD2 3.56Å; F462-F496 HydrophobicContact CE1-CD2 3.56Å; F462-F496 HydrophobicContact CE1-CE1 4.22Å; F462-F496 AromaticContact CE1-CE2 3.23Å; F462-F496 HydrophobicContact CE1-CE2 3.23Å; F462-F496 HydrophobicContact CE1-CG 4.15Å; F462-F496 AromaticContact CE1-CZ 3.56Å; F462-F496 HydrophobicContact CE1-CZ 3.56Å; F462-F496 HydrophobicContact CG-CZ 4.31Å; F462-F496 HydrophobicContact CZ-CD2 4.47Å; F462-F496 AromaticContact CZ-CE2 3.82Å; F462-F496 HydrophobicContact CZ-CE2 3.82Å; F462-F496 HydrophobicContact CZ-CZ 4.15Å |
| 463 | L | 68.6 | Low | 65.9 | Low | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.2 | -57.5 | 176.8 | -80.5 | 162.2 | 0 | 0 | 0 | 110.4 | I459 H460 K465 Y466 L467 M497 Y500 Y594 | I459-L463 HydrophobicContact CG2-CD1 3.7Å; I459-L463 HydrophobicContact CG2-CG 4.38Å; I459-L463 WeakPolarHBondContact O-CB 3.31Å; I459-L463 WeakPolarHBondContact O-CG 3.47Å; I459-L463 PolarHBondContact O-N 2.94Å; H460-L463 PolarHBondContact O-N 3.31Å; L463-K465 PolarHBondContact O-N 3.44Å; L463-K465 VanDerWaalsContact O-N 3.12Å; L463-Y466 PolarHBondContact O-N 3.37Å; L463-L467 HydrophobicContact CB-CD1 4.38Å; L463-L467 VanDerWaalsContact O-CB 3.23Å; L463-L467 WeakPolarHBondContact O-CB 3.5Å; L463-L467 VanDerWaalsContact O-CD1 3.26Å; L463-L467 WeakPolarHBondContact O-CD1 3.28Å; L463-L467 WeakPolarHBondContact O-CG 3.45Å; L463-L467 PolarHBondContact O-N 3.4Å; L463-M497 HydrophobicContact CD1-SD 4.06Å; L463-M497 HydrophobicContact CD2-CG 4.45Å; L463-M497 HydrophobicContact CD2-SD 3.9Å; L463-Y500 HydrophobicContact CD1-CD2 4.15Å; L463-Y500 HydrophobicContact CD1-CG 4.24Å; L463-Y594 HydrophobicContact CD2-CE1 3.89Å |
| 464 | C | 66.5 | Low | 64.1 | Low | 21 Ų | 21 | 46.3 Ų | 46.3 | 14% | 0.142 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.1 | -37 | -178.7 | -66.2 | 0 | 0 | 0 | 0 | 113.2 | H460 H468 C529 | H460-C464 PolarHBondContact CE1-SG 3.29Å; H460-C464 PolarHBondContact ND1-SG 3.42Å; H460-C464 WeakPolarHBondContact O-CB 3.09Å; H460-C464 PolarHBondContact O-N 3.47Å; H460-C464 PolarHBondContact O-SG 3.39Å; C464-H468 WeakPolarHBondContact O-CB 3.47Å; C464-H468 PolarHBondContact O-N 2.91Å; C464-C529 PolarHBondContact SG-SG 2.99Å |
| 465 | K | 65.8 | Low | 62.4 | Low | 38 Ų | 38 | 52 Ų | 52 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.6 | -40.2 | -179.2 | -163.8 | 161.8 | 177.1 | 171.4 | 0 | 113.2 | D424 S426 K461 F462 L463 L467 H468 M469 | D424-K465 IonicContact OD1-NZ 2.73Å; D424-K465 IonicContact OD2-NZ 2.66Å; D424-K465 PolarHBondContact OD2-NZ 3.05Å; S426-K465 WeakPolarHBondContact OG-CE 3.41Å; S426-K465 PolarHBondContact OG-NZ 3.3Å; K461-K465 VanDerWaalsContact O-CB 3.31Å; K461-K465 WeakPolarHBondContact O-CB 3.36Å; K461-K465 PolarHBondContact O-N 3Å; K461-K465 VanDerWaalsContact O-N 3.08Å; F462-K465 PolarHBondContact O-N 3.41Å; L463-K465 PolarHBondContact O-N 3.44Å; L463-K465 VanDerWaalsContact O-N 3.12Å; K465-L467 PolarHBondContact O-N 3.32Å; K465-H468 PolarHBondContact O-N 2.94Å; K465-M469 PolarHBondContact O-N 3.25Å |
| 466 | Y | 61.9 | Low | 60.5 | Low | 14 Ų | 14 | 58.1 Ų | 58.1 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.8 | -44.8 | 169.3 | 178.5 | -88.3 | 0 | 0 | 0 | 110.1 | F462 L463 K470 L487 T493 Y594 | F462-Y466 HydrophobicContact CE1-CD2 4.47Å; F462-Y466 HydrophobicContact CZ-CD2 4.15Å; F462-Y466 VanDerWaalsContact O-CB 3.27Å; F462-Y466 WeakPolarHBondContact O-CB 3.43Å; F462-Y466 PolarHBondContact O-N 2.99Å; L463-Y466 PolarHBondContact O-N 3.37Å; Y466-K470 HydrophobicContact CD1-CD 4.48Å; Y466-K470 HydrophobicContact CE1-CD 3.87Å; Y466-K470 PolarHBondContact O-N 2.69Å; Y466-K470 WeakPolarHBondContact OH-CE 3.32Å; Y466-K470 PolarHBondContact OH-NZ 3.14Å; Y466-L487 HydrophobicContact CD2-CD2 3.22Å; Y466-L487 HydrophobicContact CE2-CB 4.09Å; Y466-L487 HydrophobicContact CE2-CD2 3.3Å; Y466-L487 HydrophobicContact CE2-CG 4.28Å; Y466-L487 HydrophobicContact CG-CD2 4.46Å; Y466-L487 PolarHBondContact OH-O 2.86Å; Y466-T493 HydrophobicContact CE1-CG2 3.93Å; Y466-T493 PolarHBondContact OH-OG1 2.99Å; Y466-Y594 WeakPolarHBondContact CD1-OH 3.46Å; Y466-Y594 VanDerWaalsContact CE1-OH 3.24Å; Y466-Y594 WeakPolarHBondContact CE1-OH 3.44Å |
| 467 | L | 56.7 | Low | 58.8 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 179.1 | -67.9 | 168.8 | 0 | 0 | 0 | 112.3 | L463 K465 C529 L533 Y594 | L463-L467 HydrophobicContact CB-CD1 4.38Å; L463-L467 VanDerWaalsContact O-CB 3.23Å; L463-L467 WeakPolarHBondContact O-CB 3.5Å; L463-L467 VanDerWaalsContact O-CD1 3.26Å; L463-L467 WeakPolarHBondContact O-CD1 3.28Å; L463-L467 WeakPolarHBondContact O-CG 3.45Å; L463-L467 PolarHBondContact O-N 3.4Å; K465-L467 PolarHBondContact O-N 3.32Å; L467-C529 HydrophobicContact CD1-CB 4.46Å; L467-L533 HydrophobicContact CB-CD1 3.7Å; L467-L533 HydrophobicContact CB-CD2 3.98Å; L467-L533 HydrophobicContact CB-CG 4.29Å; L467-L533 HydrophobicContact CD1-CD1 3.59Å; L467-L533 HydrophobicContact CD2-CD1 3.12Å; L467-L533 HydrophobicContact CD2-CD2 4.1Å; L467-L533 HydrophobicContact CD2-CG 4.19Å; L467-L533 HydrophobicContact CG-CD1 3.54Å; L467-Y594 HydrophobicContact CD2-CD2 4.42Å; L467-Y594 HydrophobicContact CD2-CE2 3.85Å |
| 468 | H | 55.6 | Low | 57 | Low | 131 Ų | 131 | 69.1 Ų | 69.1 | 61% | 0.606 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.6 | -37.8 | 177.2 | -101.5 | -55.3 | 0 | 0 | 0 | 114.4 | C464 K465 K470 S471 | C464-H468 WeakPolarHBondContact O-CB 3.47Å; C464-H468 PolarHBondContact O-N 2.91Å; K465-H468 PolarHBondContact O-N 2.94Å; H468-K470 VanDerWaalsContact C-N 3.32Å; H468-S471 PolarHBondContact O-N 2.7Å; H468-S471 PolarHBondContact O-OG 3.21Å |
| 469 | M | 54.5 | Low | 55.1 | Low | 86 Ų | 86 | 76.8 Ų | 76.8 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -33.4 | 178.2 | -79.3 | -150.5 | 163.9 | 0 | 0 | 112.2 | K465 S471 K472 A473 | K465-M469 PolarHBondContact O-N 3.25Å; M469-S471 VanDerWaalsContact C-N 3.35Å; M469-S471 PolarHBondContact O-N 3.32Å; M469-K472 PolarHBondContact O-N 3.1Å; M469-A473 PolarHBondContact O-N 3.07Å |
| 470 | K | 48.3 | Very low | 53.1 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 174 | -89.2 | -174.6 | 169.9 | -178.5 | 0 | 113.1 | Y466 H468 K472 A473 | Y466-K470 HydrophobicContact CD1-CD 4.48Å; Y466-K470 HydrophobicContact CE1-CD 3.87Å; Y466-K470 PolarHBondContact O-N 2.69Å; Y466-K470 WeakPolarHBondContact OH-CE 3.32Å; Y466-K470 PolarHBondContact OH-NZ 3.14Å; H468-K470 VanDerWaalsContact C-N 3.32Å; K470-K472 VanDerWaalsContact C-N 3.31Å; K470-K472 PolarHBondContact O-N 2.94Å; K470-A473 PolarHBondContact O-N 3.47Å |
| 471 | S | 44.2 | Very low | 51.2 | Low | 70 Ų | 70 | 91.5 Ų | 91.5 | 49% | 0.49 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.5 | -29.8 | 179.3 | 94.8 | 0 | 0 | 0 | 0 | 113.1 | H468 M469 | H468-S471 PolarHBondContact O-N 2.7Å; H468-S471 PolarHBondContact O-OG 3.21Å; M469-S471 VanDerWaalsContact C-N 3.35Å; M469-S471 PolarHBondContact O-N 3.32Å |
| 472 | K | 43.6 | Very low | 49.6 | Very low | 166 Ų | 166 | 92.6 Ų | 92.6 | 72% | 0.722 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -81.1 | -28.1 | 178.3 | -82.8 | -174.2 | 175.1 | -178.5 | 0 | 113.8 | M469 K470 N474 D475 | M469-K472 PolarHBondContact O-N 3.1Å; K470-K472 VanDerWaalsContact C-N 3.31Å; K470-K472 PolarHBondContact O-N 2.94Å; K472-N474 PolarHBondContact O-N 3.45Å; K472-D475 PolarHBondContact O-N 2.98Å; K472-D475 VanDerWaalsContact O-N 3.14Å |
| 473 | A | 46.6 | Very low | 47.9 | Very low | 69 Ų | 69 | 95.1 Ų | 95.1 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -18.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M469 K470 D475 | M469-A473 PolarHBondContact O-N 3.07Å; K470-A473 PolarHBondContact O-N 3.47Å; A473-D475 VanDerWaalsContact C-N 3.3Å; A473-D475 PolarHBondContact O-N 2.98Å |
| 474 | N | 41.2 | Very low | 46.4 | Very low | 125 Ų | 125 | 99.5 Ų | 99.5 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -26.7 | 173.4 | -109.5 | 6.8 | 0 | 0 | 0 | 113.8 | K472 | K472-N474 PolarHBondContact O-N 3.45Š|
| 475 | D | 43 | Very low | 45.3 | Very low | 137 Ų | 137 | 106.4 Ų | 106.4 | 73% | 0.733 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -20.9 | -169.2 | -74.6 | -20.9 | 0 | 0 | 0 | 114.1 | K472 A473 | K472-D475 PolarHBondContact O-N 2.98Å; K472-D475 VanDerWaalsContact O-N 3.14Å; A473-D475 VanDerWaalsContact C-N 3.3Å; A473-D475 PolarHBondContact O-N 2.98Å |
| 476 | N | 39.2 | Very low | 44.2 | Very low | 130 Ų | 130 | 106.3 Ų | 106.3 | 70% | 0.695 | 56% | 0.555 | S | S | * | * | trans | -131.3 | 101.2 | -174.2 | -80.8 | -18.6 | 0 | 0 | 0 | 112.7 | N478 | N476-N478 PolarHBondContact O-N 3.29Å; N476-N478 VanDerWaalsContact O-N 3.13Å | ||
| 477 | N | 42.6 | Very low | 43.3 | Very low | 139 Ų | 139 | 107.4 Ų | 107.4 | 74% | 0.743 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 8.3 | -177.5 | -96.3 | -29.7 | 0 | 0 | 0 | 116.3 | ||
| 478 | N | 41.6 | Very low | 42.7 | Very low | 141 Ų | 141 | 110.9 Ų | 110.9 | 75% | 0.754 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -0.4 | -164.9 | -82 | -9.6 | 0 | 0 | 0 | 118.5 | N476 | N476-N478 PolarHBondContact O-N 3.29Å; N476-N478 VanDerWaalsContact O-N 3.13Å |
| 479 | D | 37.9 | Very low | 42.2 | Very low | 163 Ų | 163 | 107.1 Ų | 107.1 | 87% | 0.872 | 57% | 0.571 | S | S | * | * | trans | -108.3 | 83.5 | 171.6 | -73.7 | -27.7 | 0 | 0 | 0 | 110.7 | ||||
| 480 | K | 33.8 | Very low | 41.9 | Very low | 160 Ų | 160 | 104.8 Ų | 104.8 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | trans | -94.5 | 136.8 | -175.2 | -64.9 | 176.4 | 175.3 | 174.6 | 0 | 111.2 | ||||
| 481 | E | 38.5 | Very low | 42.1 | Very low | 166 Ų | 166 | 104 Ų | 104 | 78% | 0.776 | 56% | 0.562 | S | S | * | * | S | Bend | trans | 127.2 | -38.6 | 140.7 | -69.7 | -174 | 158.4 | 0 | 0 | 118.7 | ||
| 482 | S | 38.8 | Very low | 42.4 | Very low | 102 Ų | 102 | 101.3 Ų | 101.3 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -86.9 | -27 | -168.3 | 63.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 483 | T | 37.3 | Very low | 42.9 | Very low | 66 Ų | 66 | 94 Ų | 94 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -93.7 | -16.2 | 179.3 | 41.5 | 0 | 0 | 0 | 0 | 114 | F485 L487 | T483-F485 PolarHBondContact O-N 3.04Å; T483-L487 VanDerWaalsContact O-CD1 3.29Å; T483-L487 WeakPolarHBondContact O-CD1 3.49Å; T483-L487 VanDerWaalsContact O-CG 3.31Å; T483-L487 WeakPolarHBondContact O-CG 3.42Å |
| 484 | N | 37 | Very low | 43.4 | Very low | 102 Ų | 102 | 93.7 Ų | 93.7 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74 | -22.3 | -173.7 | -83.3 | -10.1 | 0 | 0 | 0 | 114.7 | I486 S488 | N484-I486 PolarHBondContact O-N 3.37Å; N484-S488 WeakPolarHBondContact O-CB 3.41Å; N484-S488 PolarHBondContact O-N 3.1Å; N484-S488 VanDerWaalsContact O-N 3.11Å; N484-S488 PolarHBondContact O-OG 2.9Å |
| 485 | F | 42.6 | Very low | 44.3 | Very low | 166 Ų | 166 | 88.5 Ų | 88.5 | 73% | 0.728 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71 | -31 | -169.7 | -155.6 | -91.7 | 0 | 0 | 0 | 114.2 | T483 S488 | T483-F485 PolarHBondContact O-N 3.04Å; F485-S488 PolarHBondContact O-OG 3.16Å |
| 486 | I | 43.7 | Very low | 45.2 | Very low | 36 Ų | 36 | 82.1 Ų | 82.1 | 19% | 0.185 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -95.7 | -35 | 177.8 | -55.4 | 158.1 | 0 | 0 | 0 | 110.6 | L430 K433 Q434 N484 S488 N489 | L430-I486 HydrophobicContact CD1-CD1 4.32Å; K433-I486 HydrophobicContact CB-CD1 4.22Å; Q434-I486 HydrophobicContact CB-CD1 4.23Å; Q434-I486 HydrophobicContact CG-CD1 3.2Å; Q434-I486 HydrophobicContact CG-CG1 3.83Å; N484-I486 PolarHBondContact O-N 3.37Å; I486-S488 PolarHBondContact O-N 3.5Å; I486-N489 PolarHBondContact O-N 3.46Å |
| 487 | L | 42.6 | Very low | 46.4 | Very low | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.8 | -17.2 | -177.7 | -61.1 | 173.9 | 0 | 0 | 0 | 113.3 | Y466 T483 | Y466-L487 HydrophobicContact CD2-CD2 3.22Å; Y466-L487 HydrophobicContact CE2-CB 4.09Å; Y466-L487 HydrophobicContact CE2-CD2 3.3Å; Y466-L487 HydrophobicContact CE2-CG 4.28Å; Y466-L487 HydrophobicContact CG-CD2 4.46Å; Y466-L487 PolarHBondContact OH-O 2.86Å; T483-L487 VanDerWaalsContact O-CD1 3.29Å; T483-L487 WeakPolarHBondContact O-CD1 3.49Å; T483-L487 VanDerWaalsContact O-CG 3.31Å; T483-L487 WeakPolarHBondContact O-CG 3.42Å |
| 488 | S | 43.5 | Very low | 47.5 | Very low | 79 Ų | 79 | 72.9 Ų | 72.9 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -14 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | N484 F485 I486 I490 | N484-S488 WeakPolarHBondContact O-CB 3.41Å; N484-S488 PolarHBondContact O-N 3.1Å; N484-S488 VanDerWaalsContact O-N 3.11Å; N484-S488 PolarHBondContact O-OG 2.9Å; F485-S488 PolarHBondContact O-OG 3.16Å; I486-S488 PolarHBondContact O-N 3.5Å; S488-I490 PolarHBondContact O-N 2.95Å |
| 489 | N | 46.6 | Very low | 48.6 | Very low | 52 Ų | 52 | 66.5 Ų | 66.5 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | trans | -87.4 | 109.4 | -178.7 | -101.3 | -36.4 | 0 | 0 | 0 | 112.4 | I486 S491 T492 T493 L576 | I486-N489 PolarHBondContact O-N 3.46Å; N489-S491 PolarHBondContact O-N 2.8Å; N489-T492 PolarHBondContact O-N 3.49Å; N489-T492 PolarHBondContact O-OG1 2.86Å; N489-T493 PolarHBondContact O-OG1 2.86Å; N489-L576 HydrophobicContact CB-CD2 3.7Å; N489-L576 WeakPolarHBondContact ND2-CD2 3.4Å | ||
| 490 | I | 46.6 | Very low | 50 | Low | 37 Ų | 37 | 58.8 Ų | 58.8 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.8 | -39.7 | 178.9 | -67.3 | 159.3 | 0 | 0 | 0 | 111.3 | S488 T492 T493 E494 L585 | S488-I490 PolarHBondContact O-N 2.95Å; I490-T492 PolarHBondContact O-N 2.69Å; I490-T493 WeakPolarHBondContact O-CB 3.28Å; I490-T493 PolarHBondContact O-N 3.25Å; I490-T493 VanDerWaalsContact O-N 3.14Å; I490-E494 PolarHBondContact O-N 2.9Å; I490-E494 VanDerWaalsContact O-N 3.16Å; I490-L585 HydrophobicContact CD1-CB 3.88Å; I490-L585 HydrophobicContact CD1-CG 4.4Å; I490-L585 HydrophobicContact CG2-CD1 4.27Å |
| 491 | S | 52.3 | Low | 51.6 | Low | 42 Ų | 42 | 51.7 Ų | 51.7 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | -177 | 56 | 0 | 0 | 0 | 0 | 113.6 | N489 T493 E494 I495 | N489-S491 PolarHBondContact O-N 2.8Å; S491-T493 PolarHBondContact O-N 3.48Å; S491-E494 PolarHBondContact O-N 3.39Å; S491-I495 WeakPolarHBondContact O-CD1 3.15Å; S491-I495 WeakPolarHBondContact O-CG1 3.14Å; S491-I495 PolarHBondContact O-N 2.96Å; S491-I495 VanDerWaalsContact O-N 3.15Å |
| 492 | T | 51.6 | Low | 52.8 | Low | 12 Ų | 12 | 46.7 Ų | 46.7 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57 | -36.8 | 177.1 | 6.7 | 0 | 0 | 0 | 0 | 112.2 | P437 N489 I490 F496 L573 L576 | P437-T492 HydrophobicContact CB-CG2 4.34Å; P437-T492 HydrophobicContact CG-CG2 4.15Å; N489-T492 PolarHBondContact O-N 3.49Å; N489-T492 PolarHBondContact O-OG1 2.86Å; I490-T492 PolarHBondContact O-N 2.69Å; T492-F496 WeakPolarHBondContact O-CD2 3.5Å; T492-F496 PolarHBondContact O-N 2.93Å; T492-L573 HydrophobicContact CG2-CD2 3.96Å; T492-L576 HydrophobicContact CG2-CD1 4.07Å |
| 493 | T | 54.1 | Low | 54.1 | Low | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.7 | -41.9 | -173.3 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | Y466 N489 I490 S491 I495 F496 M497 Y594 | Y466-T493 HydrophobicContact CE1-CG2 3.93Å; Y466-T493 PolarHBondContact OH-OG1 2.99Å; N489-T493 PolarHBondContact O-OG1 2.86Å; I490-T493 WeakPolarHBondContact O-CB 3.28Å; I490-T493 PolarHBondContact O-N 3.25Å; I490-T493 VanDerWaalsContact O-N 3.14Å; S491-T493 PolarHBondContact O-N 3.48Å; T493-I495 VanDerWaalsContact C-N 3.34Å; T493-F496 PolarHBondContact O-N 3.14Å; T493-M497 PolarHBondContact O-N 2.99Å; T493-Y594 HydrophobicContact CG2-CE1 4.09Å; T493-Y594 HydrophobicContact CG2-CE2 4.39Å; T493-Y594 WeakPolarHBondContact CG2-OH 3.47Å |
| 494 | E | 57.4 | Low | 55.4 | Low | 63 Ų | 63 | 38.9 Ų | 38.9 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 172.6 | -77.1 | -169.2 | 178.8 | 0 | 0 | 111.9 | I490 S491 F496 M497 D498 L593 K597 | I490-E494 PolarHBondContact O-N 2.9Å; I490-E494 VanDerWaalsContact O-N 3.16Å; S491-E494 PolarHBondContact O-N 3.39Å; E494-F496 PolarHBondContact O-N 3.38Å; E494-M497 PolarHBondContact O-N 3.12Å; E494-D498 PolarHBondContact O-N 3.42Å; E494-D498 VanDerWaalsContact O-N 3.14Å; E494-L593 HydrophobicContact CG-CD2 3.51Å; E494-L593 WeakPolarHBondContact OE1-CD2 3.42Å; E494-K597 PolarHBondContact O-NZ 3.11Å |
| 495 | I | 58.8 | Low | 56.7 | Low | 16 Ų | 16 | 36.3 Ų | 36.3 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 178.7 | -72 | 165.6 | 0 | 0 | 0 | 110.6 | S491 T493 M497 D498 I499 V569 N572 | S491-I495 WeakPolarHBondContact O-CD1 3.15Å; S491-I495 WeakPolarHBondContact O-CG1 3.14Å; S491-I495 PolarHBondContact O-N 2.96Å; S491-I495 VanDerWaalsContact O-N 3.15Å; T493-I495 VanDerWaalsContact C-N 3.34Å; I495-M497 VanDerWaalsContact C-N 3.31Å; I495-M497 PolarHBondContact O-N 3.18Å; I495-D498 PolarHBondContact O-N 3.24Å; I495-D498 VanDerWaalsContact O-N 3.12Å; I495-I499 HydrophobicContact CG2-CD1 3.47Å; I495-I499 VanDerWaalsContact CG2-CD1 3.47Å; I495-I499 HydrophobicContact CG2-CG1 4.29Å; I495-I499 VanDerWaalsContact O-CD1 3.26Å; I495-I499 WeakPolarHBondContact O-CD1 3.36Å; I495-I499 WeakPolarHBondContact O-CG1 3.37Å; I495-I499 PolarHBondContact O-N 3.33Å; I495-V569 HydrophobicContact CG2-CB 4.47Å; I495-V569 HydrophobicContact CG2-CG1 3.81Å; I495-V569 HydrophobicContact CG2-CG2 3.83Å; I495-N572 HydrophobicContact CD1-CB 4.15Å |
| 496 | F | 62.3 | Low | 57.7 | Low | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.5 | -38 | 179.3 | -89.8 | -68.7 | 0 | 0 | 0 | 114.5 | V436 P437 L440 I459 F462 T492 T493 E494 Y500 | V436-F496 HydrophobicContact CG1-CZ 4.46Å; P437-F496 HydrophobicContact CB-CD2 4.35Å; P437-F496 HydrophobicContact CB-CE1 4.19Å; P437-F496 HydrophobicContact CB-CE2 3.41Å; P437-F496 VanDerWaalsContact CB-CE2 3.41Å; P437-F496 HydrophobicContact CB-CZ 3.34Å; P437-F496 HydrophobicContact CG-CE2 3.47Å; P437-F496 VanDerWaalsContact CG-CE2 3.47Å; P437-F496 HydrophobicContact CG-CZ 3.52Å; L440-F496 HydrophobicContact CB-CE1 4.37Å; L440-F496 HydrophobicContact CD1-CE1 3.99Å; I459-F496 HydrophobicContact CG2-CD1 4.33Å; F462-F496 HydrophobicContact CD1-CD1 4.18Å; F462-F496 HydrophobicContact CD1-CD2 4.08Å; F462-F496 AromaticContact CD1-CE1 3.91Å; F462-F496 HydrophobicContact CD1-CE1 3.91Å; F462-F496 AromaticContact CD1-CE2 3.79Å; F462-F496 HydrophobicContact CD1-CE2 3.79Å; F462-F496 HydrophobicContact CD1-CG 4.23Å; F462-F496 AromaticContact CD1-CZ 3.65Å; F462-F496 HydrophobicContact CD1-CZ 3.65Å; F462-F496 HydrophobicContact CE1-CD1 4.48Å; F462-F496 AromaticContact CE1-CD2 3.56Å; F462-F496 HydrophobicContact CE1-CD2 3.56Å; F462-F496 HydrophobicContact CE1-CE1 4.22Å; F462-F496 AromaticContact CE1-CE2 3.23Å; F462-F496 HydrophobicContact CE1-CE2 3.23Å; F462-F496 HydrophobicContact CE1-CG 4.15Å; F462-F496 AromaticContact CE1-CZ 3.56Å; F462-F496 HydrophobicContact CE1-CZ 3.56Å; F462-F496 HydrophobicContact CG-CZ 4.31Å; F462-F496 HydrophobicContact CZ-CD2 4.47Å; F462-F496 AromaticContact CZ-CE2 3.82Å; F462-F496 HydrophobicContact CZ-CE2 3.82Å; F462-F496 HydrophobicContact CZ-CZ 4.15Å; T492-F496 WeakPolarHBondContact O-CD2 3.5Å; T492-F496 PolarHBondContact O-N 2.93Å; T493-F496 PolarHBondContact O-N 3.14Å; E494-F496 PolarHBondContact O-N 3.38Å; F496-Y500 WeakPolarHBondContact O-CB 3.48Å; F496-Y500 PolarHBondContact O-N 3.23Å |
| 497 | M | 64.8 | Low | 58.7 | Low | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.3 | -41.3 | 175.9 | -78.2 | -60.7 | -69.1 | 0 | 0 | 111.9 | L463 T493 E494 I495 I499 Y500 L501 I530 Y594 K597 | L463-M497 HydrophobicContact CD1-SD 4.06Å; L463-M497 HydrophobicContact CD2-CG 4.45Å; L463-M497 HydrophobicContact CD2-SD 3.9Å; T493-M497 PolarHBondContact O-N 2.99Å; E494-M497 PolarHBondContact O-N 3.12Å; I495-M497 VanDerWaalsContact C-N 3.31Å; I495-M497 PolarHBondContact O-N 3.18Å; M497-I499 PolarHBondContact O-N 3.35Å; M497-Y500 PolarHBondContact O-N 3.28Å; M497-L501 HydrophobicContact CE-CD1 4.47Å; M497-L501 WeakPolarHBondContact O-CB 3.45Å; M497-L501 WeakPolarHBondContact O-CG 3.19Å; M497-L501 PolarHBondContact O-N 3.17Å; M497-I530 HydrophobicContact CE-CD1 3.92Å; M497-Y594 HydrophobicContact CE-CD1 4.07Å; M497-Y594 HydrophobicContact CG-CD1 3.27Å; M497-Y594 HydrophobicContact CG-CE1 3.42Å; M497-Y594 VanDerWaalsContact CG-CE1 3.42Å; M497-Y594 HydrophobicContact SD-CD1 3.55Å; M497-Y594 VanDerWaalsContact SD-CD1 3.55Å; M497-Y594 HydrophobicContact SD-CE1 3.92Å; M497-K597 HydrophobicContact CB-CD 3.67Å |
| 498 | D | 66.2 | Low | 59.4 | Low | 73 Ų | 73 | 27.6 Ų | 27.6 | 39% | 0.39 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 177.2 | -65.7 | -25.8 | 0 | 0 | 0 | 110.9 | E494 I495 N502 K597 | E494-D498 PolarHBondContact O-N 3.42Å; E494-D498 VanDerWaalsContact O-N 3.14Å; I495-D498 PolarHBondContact O-N 3.24Å; I495-D498 VanDerWaalsContact O-N 3.12Å; D498-N502 WeakPolarHBondContact O-CB 3.47Å; D498-N502 PolarHBondContact O-N 3.18Å; D498-K597 WeakPolarHBondContact OD1-CD 3.45Å; D498-K597 WeakPolarHBondContact OD1-CE 3.22Å; D498-K597 IonicContact OD1-NZ 2.63Å; D498-K597 PolarHBondContact OD1-NZ 3.38Å; D498-K597 IonicContact OD2-NZ 3.43Å; D498-K597 PolarHBondContact OD2-NZ 2.87Å |
| 499 | I | 63.9 | Low | 60.1 | Low | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -49.8 | 174 | -62.2 | 156 | 0 | 0 | 0 | 111.2 | T441 A444 I459 I495 M497 L501 N502 C503 | T441-I499 HydrophobicContact CG2-CD1 3.48Å; T441-I499 VanDerWaalsContact CG2-CD1 3.48Å; T441-I499 HydrophobicContact CG2-CG1 3.6Å; T441-I499 WeakPolarHBondContact OG1-CD1 3.44Å; A444-I499 HydrophobicContact CB-CG2 3.4Å; A444-I499 VanDerWaalsContact CB-CG2 3.4Å; I459-I499 HydrophobicContact CD1-CG2 3.6Å; I495-I499 HydrophobicContact CG2-CD1 3.47Å; I495-I499 VanDerWaalsContact CG2-CD1 3.47Å; I495-I499 HydrophobicContact CG2-CG1 4.29Å; I495-I499 VanDerWaalsContact O-CD1 3.26Å; I495-I499 WeakPolarHBondContact O-CD1 3.36Å; I495-I499 WeakPolarHBondContact O-CG1 3.37Å; I495-I499 PolarHBondContact O-N 3.33Å; M497-I499 PolarHBondContact O-N 3.35Å; I499-L501 VanDerWaalsContact C-N 3.28Å; I499-L501 PolarHBondContact O-N 2.93Å; I499-N502 PolarHBondContact O-N 3.28Å; I499-N502 VanDerWaalsContact O-N 3.17Å; I499-C503 PolarHBondContact O-N 3.29Å |
| 500 | Y | 68.6 | Low | 61 | Low | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.5 | -47.3 | 178.6 | 175.3 | -95 | 0 | 0 | 0 | 111.1 | L456 I459 L463 F496 M497 C503 C504 I522 F523 S526 | L456-Y500 HydrophobicContact CD1-CD2 3.54Å; L456-Y500 HydrophobicContact CD1-CE2 3.6Å; L456-Y500 HydrophobicContact CD1-CG 4.47Å; I459-Y500 HydrophobicContact CG2-CD2 4.03Å; I459-Y500 HydrophobicContact CG2-CG 4.46Å; L463-Y500 HydrophobicContact CD1-CD2 4.15Å; L463-Y500 HydrophobicContact CD1-CG 4.24Å; F496-Y500 WeakPolarHBondContact O-CB 3.48Å; F496-Y500 PolarHBondContact O-N 3.23Å; M497-Y500 PolarHBondContact O-N 3.28Å; Y500-C503 WeakPolarHBondContact O-CB 3.33Å; Y500-C503 PolarHBondContact O-N 2.99Å; Y500-C504 PolarHBondContact O-N 3.27Å; Y500-C504 PolarHBondContact O-SG 3.39Å; Y500-I522 HydrophobicContact CE2-CG2 4.4Å; Y500-F523 WeakPolarHBondContact OH-CA 3.49Å; Y500-S526 WeakPolarHBondContact OH-CB 3.42Å; Y500-S526 PolarHBondContact OH-OG 3.31Å |
| 501 | L | 66.7 | Low | 61.6 | Low | 12 Ų | 12 | 29.5 Ų | 29.5 | 6% | 0.063 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69 | -34.8 | -179.2 | -60.7 | 171.3 | 0 | 0 | 0 | 111.6 | M497 I499 C504 N505 K597 L598 F601 | M497-L501 HydrophobicContact CE-CD1 4.47Å; M497-L501 WeakPolarHBondContact O-CB 3.45Å; M497-L501 WeakPolarHBondContact O-CG 3.19Å; M497-L501 PolarHBondContact O-N 3.17Å; I499-L501 VanDerWaalsContact C-N 3.28Å; I499-L501 PolarHBondContact O-N 2.93Å; L501-C504 PolarHBondContact O-N 3.48Å; L501-N505 PolarHBondContact O-N 3.02Å; L501-K597 HydrophobicContact CD1-CB 3.71Å; L501-K597 VanDerWaalsContact CD1-O 3.29Å; L501-K597 WeakPolarHBondContact CD1-O 3.47Å; L501-L598 HydrophobicContact CD2-CD1 4.29Å; L501-F601 HydrophobicContact CB-CB 4.06Å; L501-F601 HydrophobicContact CB-CD2 3.78Å; L501-F601 HydrophobicContact CB-CG 4.05Å; L501-F601 HydrophobicContact CD1-CB 3.91Å; L501-F601 HydrophobicContact CD2-CB 3.52Å; L501-F601 HydrophobicContact CD2-CD1 3.87Å; L501-F601 HydrophobicContact CD2-CD2 4.14Å; L501-F601 HydrophobicContact CD2-CG 3.57Å; L501-F601 HydrophobicContact CG-CB 3.98Å; L501-F601 HydrophobicContact CG-CD2 4.47Å; L501-F601 HydrophobicContact CG-CG 4.24Å; L501-F601 WeakPolarHBondContact O-CD2 3.01Å; L501-F601 WeakPolarHBondContact O-CE2 3.48Å |
| 502 | N | 64.3 | Low | 62.4 | Low | 61 Ų | 61 | 30 Ų | 30 | 33% | 0.326 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.2 | -37.2 | 171.7 | -86.3 | -18.4 | 0 | 0 | 0 | 113.6 | D498 I499 C504 N505 T506 I565 | D498-N502 WeakPolarHBondContact O-CB 3.47Å; D498-N502 PolarHBondContact O-N 3.18Å; I499-N502 PolarHBondContact O-N 3.28Å; I499-N502 VanDerWaalsContact O-N 3.17Å; N502-C504 VanDerWaalsContact C-N 3.29Å; N502-C504 PolarHBondContact O-N 2.99Å; N502-N505 WeakPolarHBondContact O-CB 3.04Å; N502-N505 PolarHBondContact O-N 2.96Å; N502-N505 PolarHBondContact OD1-ND2 3.42Å; N502-T506 PolarHBondContact O-N 3.26Å; N502-T506 VanDerWaalsContact O-N 3.1Å; N502-T506 PolarHBondContact O-OG1 3.47Å; N502-I565 WeakPolarHBondContact ND2-CD1 3.45Å |
| 503 | C | 64.8 | Low | 62.8 | Low | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 169.2 | -75.7 | 0 | 0 | 0 | 0 | 111.7 | A444 L456 I499 Y500 N505 T506 F507 | A444-C503 VanDerWaalsContact CA-SG 3.53Å; A444-C503 WeakPolarHBondContact CB-SG 3.35Å; L456-C503 HydrophobicContact CD1-CB 3.66Å; I499-C503 PolarHBondContact O-N 3.29Å; Y500-C503 WeakPolarHBondContact O-CB 3.33Å; Y500-C503 PolarHBondContact O-N 2.99Å; C503-N505 VanDerWaalsContact C-N 3.29Å; C503-N505 PolarHBondContact O-N 3.33Å; C503-T506 PolarHBondContact O-N 2.89Å; C503-T506 PolarHBondContact O-OG1 3.07Å; C503-F507 PolarHBondContact O-N 2.98Å |
| 504 | C | 66 | Low | 63.4 | Low | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -36.6 | 177.1 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | Y500 L501 N502 F519 F601 | Y500-C504 PolarHBondContact O-N 3.27Å; Y500-C504 PolarHBondContact O-SG 3.39Å; L501-C504 PolarHBondContact O-N 3.48Å; N502-C504 VanDerWaalsContact C-N 3.29Å; N502-C504 PolarHBondContact O-N 2.99Å; C504-F519 HydrophobicContact CB-CE2 3.95Å; C504-F519 HydrophobicContact CB-CZ 3.92Å; C504-F601 HydrophobicContact CB-CE1 3.9Å; C504-F601 HydrophobicContact CB-CE2 3.53Å; C504-F601 HydrophobicContact CB-CZ 3.17Å |
| 505 | N | 63.6 | Low | 64.2 | Low | 47 Ų | 47 | 34.8 Ų | 34.8 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.7 | -76.9 | -31.6 | 0 | 0 | 0 | 112 | L501 N502 C503 N508 F601 M605 | L501-N505 PolarHBondContact O-N 3.02Å; N502-N505 WeakPolarHBondContact O-CB 3.04Å; N502-N505 PolarHBondContact O-N 2.96Å; N502-N505 PolarHBondContact OD1-ND2 3.42Å; C503-N505 VanDerWaalsContact C-N 3.29Å; C503-N505 PolarHBondContact O-N 3.33Å; N505-N508 WeakPolarHBondContact O-CB 3.43Å; N505-F601 HydrophobicContact CB-CE2 4.45Å; N505-F601 WeakPolarHBondContact OD1-CE2 3.4Å; N505-M605 HydrophobicContact CB-CE 4.43Å; N505-M605 WeakPolarHBondContact OD1-CE 3.46Å |
| 506 | T | 62.8 | Low | 64.6 | Low | 37 Ų | 37 | 35.4 Ų | 35.4 | 23% | 0.227 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.4 | -36.5 | -176.2 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | N502 C503 N508 N509 | N502-T506 PolarHBondContact O-N 3.26Å; N502-T506 VanDerWaalsContact O-N 3.1Å; N502-T506 PolarHBondContact O-OG1 3.47Å; C503-T506 PolarHBondContact O-N 2.89Å; C503-T506 PolarHBondContact O-OG1 3.07Å; T506-N508 PolarHBondContact O-N 3.36Å; T506-N509 PolarHBondContact O-N 3.25Å |
| 507 | F | 65.5 | Low | 64.9 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.9 | -16.3 | 177.5 | -96.8 | -73.1 | 0 | 0 | 0 | 114.8 | D449 R452 I453 L456 C503 N509 C510 F519 | D449-F507 WeakPolarHBondContact O-CZ 3.48Å; R452-F507 HydrophobicContact CB-CD2 4.48Å; R452-F507 HydrophobicContact CB-CE2 3.44Å; R452-F507 VanDerWaalsContact CB-CE2 3.44Å; R452-F507 HydrophobicContact CB-CZ 3.65Å; I453-F507 HydrophobicContact CB-CE1 4.14Å; I453-F507 HydrophobicContact CB-CE2 4.27Å; I453-F507 HydrophobicContact CB-CZ 3.52Å; I453-F507 HydrophobicContact CD1-CE1 4.02Å; I453-F507 HydrophobicContact CD1-CE2 4.15Å; I453-F507 HydrophobicContact CD1-CZ 3.82Å; I453-F507 HydrophobicContact CG1-CZ 4.23Å; I453-F507 VanDerWaalsContact N-CZ 3.31Å; L456-F507 HydrophobicContact CD2-CD2 4.37Å; C503-F507 PolarHBondContact O-N 2.98Å; F507-N509 PolarHBondContact O-N 3.33Å; F507-N509 VanDerWaalsContact O-N 3.07Å; F507-C510 HydrophobicContact CD1-CB 3.71Å; F507-C510 HydrophobicContact CE1-CB 4.23Å; F507-C510 VanDerWaalsContact O-CB 3.28Å; F507-C510 WeakPolarHBondContact O-CB 3.26Å; F507-C510 PolarHBondContact O-N 3.42Å; F507-F519 HydrophobicContact CB-CD2 3.68Å; F507-F519 HydrophobicContact CB-CE2 3.92Å; F507-F519 HydrophobicContact CB-CG 4.11Å; F507-F519 HydrophobicContact CB-CZ 4.48Å; F507-F519 HydrophobicContact CD1-CB 4.5Å; F507-F519 HydrophobicContact CD2-CD2 4.12Å; F507-F519 AromaticContact CG-CD2 3.87Å; F507-F519 HydrophobicContact CG-CD2 3.87Å; F507-F519 HydrophobicContact CG-CE2 4.48Å; F507-F519 HydrophobicContact CG-CG 4.33Å |
| 508 | N | 57.7 | Low | 65.3 | Low | 20 Ų | 20 | 44.2 Ų | 44.2 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -21.3 | 176.9 | -155.3 | 2.1 | 0 | 0 | 0 | 112.5 | N505 T506 M605 | N505-N508 WeakPolarHBondContact O-CB 3.43Å; T506-N508 PolarHBondContact O-N 3.36Å; N508-M605 PolarHBondContact ND2-SD 3.11Å |
| 509 | N | 57.5 | Low | 65.9 | Low | 112 Ų | 112 | 40.9 Ų | 40.9 | 60% | 0.599 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 8.1 | 177 | -65.8 | -29.5 | 0 | 0 | 0 | 114.3 | T506 F507 S511 R641 | T506-N509 PolarHBondContact O-N 3.25Å; F507-N509 PolarHBondContact O-N 3.33Å; F507-N509 VanDerWaalsContact O-N 3.07Å; N509-S511 PolarHBondContact O-N 3.18Å; N509-R641 PolarHBondContact OD1-NH1 3.42Å |
| 510 | C | 65.4 | Low | 66.2 | Low | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | trans | -62.6 | 125.3 | -177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | F507 N512 R516 | F507-C510 HydrophobicContact CD1-CB 3.71Å; F507-C510 HydrophobicContact CE1-CB 4.23Å; F507-C510 VanDerWaalsContact O-CB 3.28Å; F507-C510 WeakPolarHBondContact O-CB 3.26Å; F507-C510 PolarHBondContact O-N 3.42Å; C510-N512 PolarHBondContact SG-O 3.45Å; C510-R516 HydrophobicContact CB-CG 4.07Å; C510-R516 WeakPolarHBondContact O-CD 3.46Å; C510-R516 PolarHBondContact O-NH1 2.92Å | ||
| 511 | S | 60.3 | Low | 66.4 | Low | 92 Ų | 92 | 50 Ų | 50 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | trans | -79.2 | -27.6 | 179.7 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | N509 R516 | N509-S511 PolarHBondContact O-N 3.18Å; S511-R516 PolarHBondContact O-NH1 2.89Å; S511-R516 PolarHBondContact O-NH2 3.26Å | ||
| 512 | N | 68.1 | Low | 66.8 | Low | 52 Ų | 52 | 50 Ų | 50 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | trans | -81.9 | 121.5 | -174.7 | -168.9 | -37.4 | 0 | 0 | 0 | 112.8 | C510 S514 Y515 R516 | C510-N512 PolarHBondContact SG-O 3.45Å; N512-S514 VanDerWaalsContact C-N 3.34Å; N512-S514 PolarHBondContact O-N 3.33Å; N512-S514 WeakPolarHBondContact OD1-CB 3.26Å; N512-S514 PolarHBondContact OD1-N 2.98Å; N512-S514 PolarHBondContact OD1-OG 3.48Å; N512-Y515 HydrophobicContact CB-CD2 3.58Å; N512-Y515 HydrophobicContact CB-CE2 4.05Å; N512-Y515 HydrophobicContact CB-CG 4.25Å; N512-Y515 WeakPolarHBondContact ND2-CE2 3.37Å; N512-R516 PolarHBondContact O-N 3.19Å | ||
| 513 | P | 60.1 | Low | 67.3 | Low | 79 Ų | 79 | 47.2 Ų | 47.2 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -28.7 | -179.2 | 23.5 | -30.9 | 0 | 0 | 0 | 114.5 | N517 | P513-N517 PolarHBondContact O-N 3.3Å |
| 514 | S | 66.8 | Low | 67.6 | Low | 56 Ų | 56 | 50 Ų | 50 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | -179.7 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | N512 N517 Q518 | N512-S514 VanDerWaalsContact C-N 3.34Å; N512-S514 PolarHBondContact O-N 3.33Å; N512-S514 WeakPolarHBondContact OD1-CB 3.26Å; N512-S514 PolarHBondContact OD1-N 2.98Å; N512-S514 PolarHBondContact OD1-OG 3.48Å; S514-N517 PolarHBondContact O-N 2.83Å; S514-Q518 PolarHBondContact O-N 2.92Å; S514-Q518 VanDerWaalsContact O-N 3.17Å |
| 515 | Y | 74 | Confident | 67.8 | Low | 52 Ų | 52 | 53.4 Ų | 53.4 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.2 | -35 | 178.4 | -54.6 | -31.5 | 0 | 0 | 0 | 111.7 | D449 Y450 I453 N512 N517 Q518 F519 | D449-Y515 HydrophobicContact CB-CD2 4.02Å; D449-Y515 HydrophobicContact CB-CE2 4.3Å; Y450-Y515 AromaticContact CD2-CE1 3.93Å; Y450-Y515 HydrophobicContact CD2-CE1 3.93Å; Y450-Y515 AromaticContact CD2-CZ 3.84Å; Y450-Y515 WeakPolarHBondContact CD2-OH 3.19Å; I453-Y515 HydrophobicContact CG2-CD1 4Å; I453-Y515 HydrophobicContact CG2-CE1 4.44Å; I453-Y515 HydrophobicContact CG2-CG 4.34Å; N512-Y515 HydrophobicContact CB-CD2 3.58Å; N512-Y515 HydrophobicContact CB-CE2 4.05Å; N512-Y515 HydrophobicContact CB-CG 4.25Å; N512-Y515 WeakPolarHBondContact ND2-CE2 3.37Å; Y515-N517 PolarHBondContact O-N 3.43Å; Y515-Q518 PolarHBondContact O-N 3.37Å; Y515-F519 WeakPolarHBondContact O-CB 3.27Å; Y515-F519 PolarHBondContact O-N 3.04Å |
| 516 | R | 67 | Low | 68.2 | Low | 30 Ų | 30 | 51.4 Ų | 51.4 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 171.5 | -74.3 | -172.5 | -62.9 | -128.8 | 3.1 | 112.8 | C510 S511 N512 Q518 F519 Q520 Q640 | C510-R516 HydrophobicContact CB-CG 4.07Å; C510-R516 WeakPolarHBondContact O-CD 3.46Å; C510-R516 PolarHBondContact O-NH1 2.92Å; S511-R516 PolarHBondContact O-NH1 2.89Å; S511-R516 PolarHBondContact O-NH2 3.26Å; N512-R516 PolarHBondContact O-N 3.19Å; R516-Q518 VanDerWaalsContact C-N 3.32Å; R516-Q518 PolarHBondContact O-N 2.87Å; R516-F519 WeakPolarHBondContact O-CB 3.03Å; R516-F519 PolarHBondContact O-N 3.46Å; R516-Q520 WeakPolarHBondContact O-CG 3.45Å; R516-Q520 PolarHBondContact O-N 3.49Å; R516-Q640 VanDerWaalsContact NH2-CD 3.28Å; R516-Q640 VanDerWaalsContact NH2-OE1 3.09Å |
| 517 | N | 68.5 | Low | 68.5 | Low | 97 Ų | 97 | 49.7 Ų | 49.7 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 176.7 | -75.8 | -15.1 | 0 | 0 | 0 | 112.2 | P513 S514 Y515 K521 | P513-N517 PolarHBondContact O-N 3.3Å; S514-N517 PolarHBondContact O-N 2.83Å; Y515-N517 PolarHBondContact O-N 3.43Å; N517-K521 WeakPolarHBondContact O-CG 3.26Å; N517-K521 PolarHBondContact O-N 2.63Å |
| 518 | Q | 74.7 | Confident | 68.6 | Low | 93 Ų | 93 | 51.8 Ų | 51.8 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 173.2 | -72.7 | -176.2 | -1.2 | 0 | 0 | 111.4 | I453 S514 Y515 R516 Q520 K521 I522 | I453-Q518 HydrophobicContact CD1-CB 4.1Å; I453-Q518 HydrophobicContact CG1-CB 3.97Å; S514-Q518 PolarHBondContact O-N 2.92Å; S514-Q518 VanDerWaalsContact O-N 3.17Å; Y515-Q518 PolarHBondContact O-N 3.37Å; R516-Q518 VanDerWaalsContact C-N 3.32Å; R516-Q518 PolarHBondContact O-N 2.87Å; Q518-Q520 PolarHBondContact O-N 3.09Å; Q518-K521 PolarHBondContact O-N 2.99Å; Q518-I522 VanDerWaalsContact O-CG1 3.31Å; Q518-I522 WeakPolarHBondContact O-CG1 3.49Å; Q518-I522 PolarHBondContact O-N 2.75Å |
| 519 | F | 77.9 | Confident | 69.1 | Low | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.1 | -49.8 | 175.5 | 171.1 | -95.3 | 0 | 0 | 0 | 111.4 | I453 L456 C504 F507 Y515 R516 K521 I522 F523 L644 I648 | I453-F519 HydrophobicContact CD1-CB 3.94Å; L456-F519 HydrophobicContact CD2-CD2 3.33Å; L456-F519 HydrophobicContact CD2-CE2 3.78Å; L456-F519 HydrophobicContact CD2-CG 4.43Å; C504-F519 HydrophobicContact CB-CE2 3.95Å; C504-F519 HydrophobicContact CB-CZ 3.92Å; F507-F519 HydrophobicContact CB-CD2 3.68Å; F507-F519 HydrophobicContact CB-CE2 3.92Å; F507-F519 HydrophobicContact CB-CG 4.11Å; F507-F519 HydrophobicContact CB-CZ 4.48Å; F507-F519 HydrophobicContact CD1-CB 4.5Å; F507-F519 HydrophobicContact CD2-CD2 4.12Å; F507-F519 AromaticContact CG-CD2 3.87Å; F507-F519 HydrophobicContact CG-CD2 3.87Å; F507-F519 HydrophobicContact CG-CE2 4.48Å; F507-F519 HydrophobicContact CG-CG 4.33Å; Y515-F519 WeakPolarHBondContact O-CB 3.27Å; Y515-F519 PolarHBondContact O-N 3.04Å; R516-F519 WeakPolarHBondContact O-CB 3.03Å; R516-F519 PolarHBondContact O-N 3.46Å; F519-K521 VanDerWaalsContact C-N 3.31Å; F519-K521 PolarHBondContact O-N 3.3Å; F519-I522 PolarHBondContact O-N 2.89Å; F519-I522 VanDerWaalsContact O-N 3.15Å; F519-F523 HydrophobicContact CE1-CB 4.43Å; F519-F523 HydrophobicContact CZ-CB 4.39Å; F519-F523 HydrophobicContact CZ-CD2 4.45Å; F519-F523 WeakPolarHBondContact O-CB 3.38Å; F519-F523 PolarHBondContact O-N 3.03Å; F519-L644 HydrophobicContact CD1-CD1 3.96Å; F519-L644 HydrophobicContact CE1-CD1 4.07Å; F519-I648 HydrophobicContact CE1-CD1 4.26Å |
| 520 | Q | 69.8 | Low | 69.6 | Low | 51 Ų | 51 | 47.3 Ų | 47.3 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -42.6 | 178.8 | -76.4 | -178.2 | -24.2 | 0 | 0 | 112.3 | R516 Q518 F524 L644 D647 | R516-Q520 WeakPolarHBondContact O-CG 3.45Å; R516-Q520 PolarHBondContact O-N 3.49Å; Q518-Q520 PolarHBondContact O-N 3.09Å; Q520-F524 VanDerWaalsContact O-CB 3.28Å; Q520-F524 WeakPolarHBondContact O-CB 3.5Å; Q520-F524 PolarHBondContact O-N 3.49Å; Q520-L644 HydrophobicContact CG-CD1 3.56Å; Q520-D647 PolarHBondContact NE2-OD2 3.33Å |
| 521 | K | 73.9 | Confident | 69.5 | Low | 150 Ų | 150 | 47.4 Ų | 47.4 | 65% | 0.652 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -64.3 | -43.2 | 175.8 | -74.1 | 177.9 | 179.6 | -177.4 | 0 | 112.2 | N517 Q518 F519 N525 | N517-K521 WeakPolarHBondContact O-CG 3.26Å; N517-K521 PolarHBondContact O-N 2.63Å; Q518-K521 PolarHBondContact O-N 2.99Å; F519-K521 VanDerWaalsContact C-N 3.31Å; F519-K521 PolarHBondContact O-N 3.3Å; K521-N525 WeakPolarHBondContact O-CB 3.48Å; K521-N525 PolarHBondContact O-N 3.27Å; K521-N525 PolarHBondContact O-ND2 3.35Å; K521-N525 PolarHBondContact O-OD1 3.07Å |
| 522 | I | 74.9 | Confident | 69.7 | Low | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 178.4 | -68.9 | 162.2 | 0 | 0 | 0 | 110.8 | I453 L456 N457 H460 Y500 Q518 F519 N525 S526 | I453-I522 HydrophobicContact CD1-CD1 4.22Å; L456-I522 HydrophobicContact CD2-CD1 4.39Å; L456-I522 HydrophobicContact CD2-CG2 4.14Å; L456-I522 HydrophobicContact CG-CD1 4.49Å; L456-I522 HydrophobicContact CG-CG2 3.92Å; N457-I522 HydrophobicContact CB-CD1 3.75Å; H460-I522 HydrophobicContact CB-CG2 3.49Å; H460-I522 VanDerWaalsContact CB-CG2 3.49Å; Y500-I522 HydrophobicContact CE2-CG2 4.4Å; Q518-I522 VanDerWaalsContact O-CG1 3.31Å; Q518-I522 WeakPolarHBondContact O-CG1 3.49Å; Q518-I522 PolarHBondContact O-N 2.75Å; F519-I522 PolarHBondContact O-N 2.89Å; F519-I522 VanDerWaalsContact O-N 3.15Å; I522-N525 PolarHBondContact O-N 2.63Å; I522-S526 WeakPolarHBondContact O-CB 3.32Å; I522-S526 PolarHBondContact O-N 3.47Å; I522-S526 PolarHBondContact O-OG 2.61Å |
| 523 | F | 75 | Confident | 69.4 | Low | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -50.7 | 177.6 | -174.5 | -100.2 | 0 | 0 | 0 | 111.4 | Y500 F519 N525 S526 T527 L598 F601 I648 T651 | Y500-F523 WeakPolarHBondContact OH-CA 3.49Å; F519-F523 HydrophobicContact CE1-CB 4.43Å; F519-F523 HydrophobicContact CZ-CB 4.39Å; F519-F523 HydrophobicContact CZ-CD2 4.45Å; F519-F523 WeakPolarHBondContact O-CB 3.38Å; F519-F523 PolarHBondContact O-N 3.03Å; F523-N525 PolarHBondContact O-N 3.19Å; F523-S526 PolarHBondContact O-N 2.77Å; F523-T527 HydrophobicContact CD1-CG2 4.31Å; F523-T527 HydrophobicContact CE1-CG2 3.93Å; F523-T527 HydrophobicContact CE2-CG2 4.24Å; F523-T527 HydrophobicContact CZ-CG2 3.89Å; F523-T527 WeakPolarHBondContact O-CG2 3.49Å; F523-T527 PolarHBondContact O-N 3.23Å; F523-T527 PolarHBondContact O-OG1 3.17Å; F523-L598 HydrophobicContact CE2-CD1 4.45Å; F523-F601 HydrophobicContact CE2-CE1 4.01Å; F523-F601 HydrophobicContact CZ-CE1 4.5Å; F523-I648 HydrophobicContact CD1-CG1 4.4Å; F523-I648 HydrophobicContact CE1-CB 4.42Å; F523-I648 HydrophobicContact CE1-CG1 4.27Å; F523-I648 HydrophobicContact CE1-CG2 3.95Å; F523-I648 HydrophobicContact CZ-CG2 4.01Å; F523-T651 HydrophobicContact CD1-CG2 4.33Å; F523-T651 HydrophobicContact CE1-CG2 4.17Å |
| 524 | F | 69.9 | Low | 69.7 | Low | 61 Ų | 61 | 41.4 Ų | 41.4 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.9 | -48.8 | 175.6 | 176.5 | -86.2 | 0 | 0 | 0 | 112.7 | Q520 S526 T527 E528 T651 W671 | Q520-F524 VanDerWaalsContact O-CB 3.28Å; Q520-F524 WeakPolarHBondContact O-CB 3.5Å; Q520-F524 PolarHBondContact O-N 3.49Å; F524-S526 VanDerWaalsContact C-N 3.32Å; F524-S526 PolarHBondContact O-N 3.37Å; F524-T527 PolarHBondContact O-OG1 3.48Å; F524-E528 WeakPolarHBondContact CE1-OE2 3.43Å; F524-E528 PolarHBondContact O-N 3.36Å; F524-T651 HydrophobicContact CD2-CG2 4.38Å; F524-W671 AromaticContact CD2-CH2 3.43Å; F524-W671 HydrophobicContact CD2-CH2 3.43Å; F524-W671 VanDerWaalsContact CD2-CH2 3.43Å; F524-W671 AromaticContact CD2-CZ2 3.83Å; F524-W671 HydrophobicContact CD2-CZ2 3.83Å; F524-W671 HydrophobicContact CD2-CZ3 4.42Å; F524-W671 AromaticContact CE2-CH2 3.08Å; F524-W671 HydrophobicContact CE2-CH2 3.08Å; F524-W671 AromaticContact CE2-CZ2 3.3Å; F524-W671 HydrophobicContact CE2-CZ2 3.3Å; F524-W671 AromaticContact CE2-CZ3 3.88Å; F524-W671 HydrophobicContact CE2-CZ3 3.88Å; F524-W671 HydrophobicContact CG-CH2 4.36Å; F524-W671 AromaticContact CZ-CH2 3.76Å; F524-W671 HydrophobicContact CZ-CH2 3.76Å; F524-W671 HydrophobicContact CZ-CZ2 4.19Å; F524-W671 HydrophobicContact CZ-CZ3 4.11Å |
| 525 | N | 70.4 | Confident | 69.4 | Low | 72 Ų | 72 | 42.1 Ų | 42.1 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.3 | -35.2 | -179.6 | -70 | -9.1 | 0 | 0 | 0 | 112.2 | H460 K521 I522 F523 C529 | H460-N525 WeakPolarHBondContact CE1-CB 3.35Å; H460-N525 WeakPolarHBondContact NE2-CB 3.2Å; K521-N525 WeakPolarHBondContact O-CB 3.48Å; K521-N525 PolarHBondContact O-N 3.27Å; K521-N525 PolarHBondContact O-ND2 3.35Å; K521-N525 PolarHBondContact O-OD1 3.07Å; I522-N525 PolarHBondContact O-N 2.63Å; F523-N525 PolarHBondContact O-N 3.19Å; N525-C529 PolarHBondContact O-N 3.3Å; N525-C529 VanDerWaalsContact O-N 3.09Å; N525-C529 PolarHBondContact O-SG 3.29Å |
| 526 | S | 71.1 | Confident | 68.8 | Low | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | -179.1 | -54 | 0 | 0 | 0 | 0 | 111.4 | H460 Y500 I522 F523 F524 E528 C529 I530 | H460-S526 PolarHBondContact CE1-N 3.04Å; H460-S526 PolarHBondContact CE1-OG 3.05Å; H460-S526 PolarHBondContact ND1-OG 3.03Å; Y500-S526 WeakPolarHBondContact OH-CB 3.42Å; Y500-S526 PolarHBondContact OH-OG 3.31Å; I522-S526 WeakPolarHBondContact O-CB 3.32Å; I522-S526 PolarHBondContact O-N 3.47Å; I522-S526 PolarHBondContact O-OG 2.61Å; F523-S526 PolarHBondContact O-N 2.77Å; F524-S526 VanDerWaalsContact C-N 3.32Å; F524-S526 PolarHBondContact O-N 3.37Å; S526-E528 VanDerWaalsContact C-N 3.27Å; S526-E528 PolarHBondContact O-N 3.19Å; S526-C529 PolarHBondContact O-N 2.94Å; S526-I530 WeakPolarHBondContact O-CG1 3.33Å; S526-I530 PolarHBondContact O-N 3.39Å |
| 527 | T | 70.1 | Confident | 68.5 | Low | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -37 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | F523 F524 R531 L598 | F523-T527 HydrophobicContact CD1-CG2 4.31Å; F523-T527 HydrophobicContact CE1-CG2 3.93Å; F523-T527 HydrophobicContact CE2-CG2 4.24Å; F523-T527 HydrophobicContact CZ-CG2 3.89Å; F523-T527 WeakPolarHBondContact O-CG2 3.49Å; F523-T527 PolarHBondContact O-N 3.23Å; F523-T527 PolarHBondContact O-OG1 3.17Å; F524-T527 PolarHBondContact O-OG1 3.48Å; T527-R531 WeakPolarHBondContact O-CB 3.14Å; T527-R531 PolarHBondContact O-N 2.89Å; T527-L598 HydrophobicContact CG2-CD1 4.11Å; T527-L598 HydrophobicContact CG2-CD2 4.06Å |
| 528 | E | 67.8 | Low | 68.1 | Low | 44 Ų | 44 | 43.6 Ų | 43.6 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 174.2 | -170.8 | 152.9 | -148.4 | 0 | 0 | 112.7 | F524 S526 R531 I532 W671 | F524-E528 WeakPolarHBondContact CE1-OE2 3.43Å; F524-E528 PolarHBondContact O-N 3.36Å; S526-E528 VanDerWaalsContact C-N 3.27Å; S526-E528 PolarHBondContact O-N 3.19Å; E528-R531 WeakPolarHBondContact O-CB 3.49Å; E528-R531 PolarHBondContact O-N 3.39Å; E528-R531 IonicContact OE1-NH2 2.83Å; E528-I532 HydrophobicContact CG-CD1 4.22Å; E528-I532 WeakPolarHBondContact O-CG1 3.32Å; E528-I532 PolarHBondContact O-N 3.34Å; E528-W671 HydrophobicContact CB-CZ3 4.25Å |
| 529 | C | 68.5 | Low | 67.1 | Low | 29 Ų | 29 | 42 Ų | 42 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -46.6 | 177 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | C464 L467 N525 S526 R531 I532 L533 | C464-C529 PolarHBondContact SG-SG 2.99Å; L467-C529 HydrophobicContact CD1-CB 4.46Å; N525-C529 PolarHBondContact O-N 3.3Å; N525-C529 VanDerWaalsContact O-N 3.09Å; N525-C529 PolarHBondContact O-SG 3.29Å; S526-C529 PolarHBondContact O-N 2.94Å; C529-R531 PolarHBondContact O-N 3.21Å; C529-I532 PolarHBondContact O-N 3.09Å; C529-L533 WeakPolarHBondContact O-CD1 3.48Å; C529-L533 PolarHBondContact O-N 3.31Å |
| 530 | I | 66.9 | Low | 66 | Low | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.8 | -41.1 | 176.9 | -68.9 | 167.4 | 0 | 0 | 0 | 110.5 | M497 S526 C534 L598 | M497-I530 HydrophobicContact CE-CD1 3.92Å; S526-I530 WeakPolarHBondContact O-CG1 3.33Å; S526-I530 PolarHBondContact O-N 3.39Å; I530-C534 PolarHBondContact O-N 3.3Å; I530-C534 PolarHBondContact O-SG 2.84Å; I530-C534 VanDerWaalsContact O-SG 3.38Å; I530-L598 HydrophobicContact CD1-CD2 4.11Å; I530-L598 HydrophobicContact CG2-CD2 4.42Å |
| 531 | R | 63.8 | Low | 65.2 | Low | 6 Ų | 6 | 49.5 Ų | 49.5 | 2% | 0.023 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 179.2 | -172.1 | -175 | 66.5 | 142.1 | 2.1 | 113.3 | T527 E528 C529 L533 C534 V655 W671 F675 L683 | T527-R531 WeakPolarHBondContact O-CB 3.14Å; T527-R531 PolarHBondContact O-N 2.89Å; E528-R531 WeakPolarHBondContact O-CB 3.49Å; E528-R531 PolarHBondContact O-N 3.39Å; E528-R531 IonicContact OE1-NH2 2.83Å; C529-R531 PolarHBondContact O-N 3.21Å; R531-L533 PolarHBondContact O-N 3.05Å; R531-C534 PolarHBondContact O-N 2.84Å; R531-V655 HydrophobicContact CB-CG1 4.5Å; R531-W671 PolarHBondContact NH1-O 2.94Å; R531-W671 PolarHBondContact NH2-O 3.46Å; R531-F675 HydrophobicContact CG-CZ 4.45Å; R531-L683 HydrophobicContact CG-CD1 4.46Å; R531-L683 WeakPolarHBondContact O-CD1 3.4Å |
| 532 | I | 64.3 | Low | 64.2 | Low | 72 Ų | 72 | 42.4 Ų | 42.4 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.1 | -34.9 | 179.3 | -71.5 | 165.7 | 0 | 0 | 0 | 111.4 | E528 C529 K535 F675 | E528-I532 HydrophobicContact CG-CD1 4.22Å; E528-I532 WeakPolarHBondContact O-CG1 3.32Å; E528-I532 PolarHBondContact O-N 3.34Å; C529-I532 PolarHBondContact O-N 3.09Å; I532-K535 WeakPolarHBondContact O-CB 3.31Å; I532-F675 HydrophobicContact CB-CZ 4.5Å; I532-F675 HydrophobicContact CG1-CZ 3.84Å |
| 533 | L | 62.6 | Low | 63.1 | Low | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.12 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.1 | -42.7 | -179.5 | -65.4 | 146.2 | 0 | 0 | 0 | 113.4 | L467 C529 R531 K535 S536 | L467-L533 HydrophobicContact CB-CD1 3.7Å; L467-L533 HydrophobicContact CB-CD2 3.98Å; L467-L533 HydrophobicContact CB-CG 4.29Å; L467-L533 HydrophobicContact CD1-CD1 3.59Å; L467-L533 HydrophobicContact CD2-CD1 3.12Å; L467-L533 HydrophobicContact CD2-CD2 4.1Å; L467-L533 HydrophobicContact CD2-CG 4.19Å; L467-L533 HydrophobicContact CG-CD1 3.54Å; C529-L533 WeakPolarHBondContact O-CD1 3.48Å; C529-L533 PolarHBondContact O-N 3.31Å; R531-L533 PolarHBondContact O-N 3.05Å; L533-K535 PolarHBondContact O-N 3.49Å; L533-S536 PolarHBondContact O-N 2.96Å; L533-S536 PolarHBondContact O-OG 3.1Å |
| 534 | C | 65 | Low | 62 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -63.5 | -5.8 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 113 | I530 R531 S536 I537 D591 L683 | I530-C534 PolarHBondContact O-N 3.3Å; I530-C534 PolarHBondContact O-SG 2.84Å; I530-C534 VanDerWaalsContact O-SG 3.38Å; R531-C534 PolarHBondContact O-N 2.84Å; C534-S536 PolarHBondContact O-N 3.34Å; C534-I537 HydrophobicContact CB-CD1 3.93Å; C534-D591 PolarHBondContact SG-O 3.25Å; C534-L683 HydrophobicContact CB-CD1 3.73Å; C534-L683 HydrophobicContact CB-CD2 3.69Å; C534-L683 HydrophobicContact CB-CG 3.57Å |
| 535 | K | 61.5 | Low | 61.2 | Low | 71 Ų | 71 | 48.8 Ų | 48.8 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -60.3 | -34.5 | 175.1 | -174.6 | -177.8 | -174.6 | -179.6 | 0 | 114.5 | I532 L533 E674 F675 S679 | I532-K535 WeakPolarHBondContact O-CB 3.31Å; L533-K535 PolarHBondContact O-N 3.49Å; K535-E674 PolarHBondContact NZ-O 3.23Å; K535-F675 HydrophobicContact CB-CD1 4.06Å; K535-F675 HydrophobicContact CB-CE1 3.94Å; K535-F675 HydrophobicContact CD-CD1 3.51Å; K535-F675 HydrophobicContact CD-CE1 3.79Å; K535-F675 HydrophobicContact CG-CD1 3.69Å; K535-F675 HydrophobicContact CG-CE1 4.05Å; K535-S679 WeakPolarHBondContact O-CB 3.47Å; K535-S679 PolarHBondContact O-OG 2.91Å; K535-S679 VanDerWaalsContact O-OG 3.07Å |
| 536 | S | 61.2 | Low | 60.2 | Low | 77 Ų | 77 | 46.3 Ų | 46.3 | 54% | 0.538 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -93.6 | -1.5 | -173.4 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | L533 C534 | L533-S536 PolarHBondContact O-N 2.96Å; L533-S536 PolarHBondContact O-OG 3.1Å; C534-S536 PolarHBondContact O-N 3.34Å |
| 537 | I | 61 | Low | 59.3 | Low | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | trans | -74.6 | 128.8 | -174.6 | -57.7 | 173.6 | 0 | 0 | 0 | 110.6 | C534 D591 V592 L686 | C534-I537 HydrophobicContact CB-CD1 3.93Å; I537-D591 HydrophobicContact CD1-CB 3.62Å; I537-D591 HydrophobicContact CG1-CB 4.14Å; I537-V592 HydrophobicContact CD1-CG2 3.8Å; I537-V592 HydrophobicContact CG2-CG2 4.11Å; I537-L686 HydrophobicContact CD1-CD2 4.1Å | ||
| 538 | H | 59.3 | Low | 58.2 | Low | 127 Ų | 127 | 55.1 Ų | 55.1 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | trans | -85.1 | 130.2 | 170.8 | -79.1 | -72.3 | 0 | 0 | 0 | 111.1 | N540 N541 | H538-N540 PolarHBondContact O-N 3.37Å; H538-N541 PolarHBondContact O-N 3.47Å | ||
| 539 | F | 54 | Low | 57.2 | Low | 58 Ų | 58 | 54.8 Ų | 54.8 | 25% | 0.254 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | -168 | -172.2 | -103 | 0 | 0 | 0 | 115.6 | N541 S542 I543 T685 | F539-N541 VanDerWaalsContact C-N 3.29Å; F539-N541 PolarHBondContact O-N 3.22Å; F539-S542 PolarHBondContact O-N 3.43Å; F539-S542 PolarHBondContact O-OG 2.78Å; F539-I543 HydrophobicContact CD1-CD1 4.23Å; F539-I543 HydrophobicContact CE1-CD1 3.44Å; F539-I543 VanDerWaalsContact CE1-CD1 3.44Å; F539-I543 HydrophobicContact CE1-CG1 4.32Å; F539-I543 HydrophobicContact CE2-CD1 4.5Å; F539-I543 HydrophobicContact CZ-CD1 3.61Å; F539-I543 HydrophobicContact CZ-CG1 4.21Å; F539-T685 HydrophobicContact CD2-CG2 4.18Å; F539-T685 HydrophobicContact CE1-CG2 4.4Å; F539-T685 HydrophobicContact CE2-CG2 3.18Å; F539-T685 HydrophobicContact CZ-CG2 3.29Å |
| 540 | N | 55.4 | Low | 55.9 | Low | 136 Ų | 136 | 55.1 Ų | 55.1 | 73% | 0.727 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.3 | -31.6 | -175 | -74.9 | -6 | 0 | 0 | 0 | 112.9 | H538 | H538-N540 PolarHBondContact O-N 3.37Å |
| 541 | N | 52.1 | Low | 54.6 | Low | 75 Ų | 75 | 63 Ų | 63 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 179.1 | -66.9 | -7.2 | 0 | 0 | 0 | 111.2 | H538 F539 I543 E544 I545 Q588 | H538-N541 PolarHBondContact O-N 3.47Å; F539-N541 VanDerWaalsContact C-N 3.29Å; F539-N541 PolarHBondContact O-N 3.22Å; N541-I543 PolarHBondContact O-N 2.9Å; N541-E544 PolarHBondContact O-N 2.85Å; N541-I545 VanDerWaalsContact O-CD1 3.24Å; N541-I545 WeakPolarHBondContact O-CD1 3.31Å; N541-I545 VanDerWaalsContact O-CG1 3.26Å; N541-I545 WeakPolarHBondContact O-CG1 3.33Å; N541-I545 PolarHBondContact O-N 3.41Å; N541-Q588 PolarHBondContact ND2-OE1 3.38Å |
| 542 | S | 52.5 | Low | 53.2 | Low | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.6 | -26.7 | -170.8 | 57.9 | 0 | 0 | 0 | 0 | 115.7 | F539 L546 | F539-S542 PolarHBondContact O-N 3.43Å; F539-S542 PolarHBondContact O-OG 2.78Å; S542-L546 PolarHBondContact O-N 2.9Å |
| 543 | I | 53.7 | Low | 51.6 | Low | 66 Ų | 66 | 67.6 Ų | 67.6 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 175.5 | -65 | 176.2 | 0 | 0 | 0 | 111.3 | F539 N541 I545 L546 N547 | F539-I543 HydrophobicContact CD1-CD1 4.23Å; F539-I543 HydrophobicContact CE1-CD1 3.44Å; F539-I543 VanDerWaalsContact CE1-CD1 3.44Å; F539-I543 HydrophobicContact CE1-CG1 4.32Å; F539-I543 HydrophobicContact CE2-CD1 4.5Å; F539-I543 HydrophobicContact CZ-CD1 3.61Å; F539-I543 HydrophobicContact CZ-CG1 4.21Å; N541-I543 PolarHBondContact O-N 2.9Å; I543-I545 VanDerWaalsContact C-N 3.28Å; I543-I545 PolarHBondContact O-N 3.26Å; I543-L546 PolarHBondContact O-N 2.94Å; I543-N547 PolarHBondContact O-N 3.12Å; I543-N547 VanDerWaalsContact O-N 3.17Å |
| 544 | E | 51.9 | Low | 50 | Low | 135 Ų | 135 | 74.2 Ų | 74.2 | 63% | 0.631 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.9 | -39.8 | 175.6 | -96.3 | -177 | 159.4 | 0 | 0 | 111.3 | N541 N547 N548 | N541-E544 PolarHBondContact O-N 2.85Å; E544-N547 PolarHBondContact O-N 3.29Å; E544-N548 PolarHBondContact O-N 2.85Å |
| 545 | I | 52.1 | Low | 48.3 | Very low | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.036 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 177.2 | -58.3 | 153.3 | 0 | 0 | 0 | 111.6 | N541 I543 N547 N548 L549 D589 V592 | N541-I545 VanDerWaalsContact O-CD1 3.24Å; N541-I545 WeakPolarHBondContact O-CD1 3.31Å; N541-I545 VanDerWaalsContact O-CG1 3.26Å; N541-I545 WeakPolarHBondContact O-CG1 3.33Å; N541-I545 PolarHBondContact O-N 3.41Å; I543-I545 VanDerWaalsContact C-N 3.28Å; I543-I545 PolarHBondContact O-N 3.26Å; I545-N547 PolarHBondContact O-N 3.06Å; I545-N548 PolarHBondContact O-N 3.08Å; I545-N548 VanDerWaalsContact O-N 3.15Å; I545-L549 HydrophobicContact CG2-CD1 3.88Å; I545-L549 PolarHBondContact O-N 3.49Å; I545-D589 HydrophobicContact CD1-CB 3.8Å; I545-D589 WeakPolarHBondContact CD1-OD1 3.35Å; I545-D589 HydrophobicContact CG1-CB 3.94Å; I545-D589 VanDerWaalsContact CG1-CG 3.46Å; I545-D589 WeakPolarHBondContact CG1-OD1 3.25Å; I545-D589 HydrophobicContact CG2-CB 4.02Å; I545-V592 HydrophobicContact CD1-CG2 4.4Å |
| 546 | L | 49.9 | Very low | 46.7 | Very low | 20 Ų | 20 | 89.5 Ų | 89.5 | 11% | 0.105 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.3 | -31.1 | 178.5 | -160.7 | 79.8 | 0 | 0 | 0 | 111.3 | S542 I543 V596 N689 I690 R693 | S542-L546 PolarHBondContact O-N 2.9Å; I543-L546 PolarHBondContact O-N 2.94Å; L546-V596 HydrophobicContact CD1-CG2 4.22Å; L546-N689 HydrophobicContact CD2-CB 4.19Å; L546-I690 HydrophobicContact CD1-CG1 4Å; L546-R693 VanDerWaalsContact O-CZ 3.32Å; L546-R693 PolarHBondContact O-NH1 3.45Å; L546-R693 VanDerWaalsContact O-NH1 3.08Å |
| 547 | N | 52.5 | Low | 45.3 | Very low | 83 Ų | 83 | 91.6 Ų | 91.6 | 44% | 0.444 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -78 | -38.5 | 174.4 | -73.2 | -18.1 | 0 | 0 | 0 | 112.6 | I543 E544 I545 S550 R693 | I543-N547 PolarHBondContact O-N 3.12Å; I543-N547 VanDerWaalsContact O-N 3.17Å; E544-N547 PolarHBondContact O-N 3.29Å; I545-N547 PolarHBondContact O-N 3.06Å; N547-S550 WeakPolarHBondContact O-CB 3.3Å; N547-S550 PolarHBondContact O-N 2.95Å; N547-S550 VanDerWaalsContact O-N 3.1Å; N547-S550 PolarHBondContact O-OG 3.16Å; N547-R693 PolarHBondContact OD1-NH1 2.7Å |
| 548 | N | 47.4 | Very low | 43.7 | Very low | 109 Ų | 109 | 96.5 Ų | 96.5 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.5 | -37.9 | 176.9 | -74.5 | -16.9 | 0 | 0 | 0 | 112.6 | E544 I545 S550 H551 | E544-N548 PolarHBondContact O-N 2.85Å; I545-N548 PolarHBondContact O-N 3.08Å; I545-N548 VanDerWaalsContact O-N 3.15Å; N548-S550 PolarHBondContact O-N 3.15Å; N548-S550 VanDerWaalsContact O-N 3.08Å; N548-H551 PolarHBondContact O-N 3.44Å |
| 549 | L | 46.1 | Very low | 42.5 | Very low | 37 Ų | 37 | 96 Ų | 96 | 19% | 0.194 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.4 | 171.2 | -78.2 | 159.7 | 0 | 0 | 0 | 113.2 | I545 S552 N553 L593 | I545-L549 HydrophobicContact CG2-CD1 3.88Å; I545-L549 PolarHBondContact O-N 3.49Å; L549-S552 PolarHBondContact O-OG 2.5Å; L549-N553 PolarHBondContact O-ND2 3.3Å; L549-L593 HydrophobicContact CD1-CD1 3.85Å; L549-L593 HydrophobicContact CD2-CD1 4.01Å |
| 550 | S | 41.9 | Very low | 41.6 | Very low | 37 Ų | 37 | 95.2 Ų | 95.2 | 26% | 0.259 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -30.5 | 175.9 | 83.6 | 0 | 0 | 0 | 0 | 113.3 | N547 N548 S552 N553 | N547-S550 WeakPolarHBondContact O-CB 3.3Å; N547-S550 PolarHBondContact O-N 2.95Å; N547-S550 VanDerWaalsContact O-N 3.1Å; N547-S550 PolarHBondContact O-OG 3.16Å; N548-S550 PolarHBondContact O-N 3.15Å; N548-S550 VanDerWaalsContact O-N 3.08Å; S550-S552 VanDerWaalsContact C-N 3.28Å; S550-S552 PolarHBondContact O-N 3.22Å; S550-N553 PolarHBondContact O-N 3Å |
| 551 | H | 39 | Very low | 40.8 | Very low | 173 Ų | 173 | 91.2 Ų | 91.2 | 80% | 0.801 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.8 | -175.6 | -73 | -28.7 | 0 | 0 | 0 | 113.8 | N548 | N548-H551 PolarHBondContact O-N 3.44Š|
| 552 | S | 33.8 | Very low | 40.2 | Very low | 88 Ų | 88 | 92.3 Ų | 92.3 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3.3 | 173.5 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | L549 S550 N554 | L549-S552 PolarHBondContact O-OG 2.5Å; S550-S552 VanDerWaalsContact C-N 3.28Å; S550-S552 PolarHBondContact O-N 3.22Å; S552-N554 PolarHBondContact O-N 3.07Å |
| 553 | N | 31.5 | Very low | 39.5 | Very low | 86 Ų | 86 | 96.7 Ų | 96.7 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 83 | -171.1 | -85.1 | -54.1 | 0 | 0 | 0 | 113.8 | L549 S550 | L549-N553 PolarHBondContact O-ND2 3.3Å; S550-N553 PolarHBondContact O-N 3Å |
| 554 | N | 29 | Very low | 39 | Very low | 163 Ų | 163 | 97.5 Ų | 97.5 | 87% | 0.872 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.8 | 0.8 | 155.6 | -109.2 | -14.2 | 0 | 0 | 0 | 114.7 | S552 R556 | S552-N554 PolarHBondContact O-N 3.07Å; N554-R556 PolarHBondContact O-N 3.17Å |
| 555 | Q | 29 | Very low | 38.6 | Very low | 166 Ų | 166 | 93 Ų | 93 | 78% | 0.776 | 49% | 0.488 | S | S | * | . | trans | -81.9 | 101.9 | 169.1 | -72.3 | -176.5 | -9.5 | 0 | 0 | 108.6 | I557 | Q555-I557 PolarHBondContact O-N 3.03Å; Q555-I557 VanDerWaalsContact O-N 3.13Å | ||
| 556 | R | 28 | Very low | 38 | Very low | 227 Ų | 227 | 93.9 Ų | 93.9 | 86% | 0.857 | 50% | 0.495 | S | S | * | . | trans | -39.8 | 123.5 | 155.8 | -72.2 | 174.7 | 176.3 | 172 | -1.5 | 106.2 | N554 I558 | N554-R556 PolarHBondContact O-N 3.17Å; R556-I558 PolarHBondContact O-N 3.34Å | ||
| 557 | I | 31.2 | Very low | 37.6 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | trans | -65.8 | 84.8 | 158.3 | -61.4 | -179.2 | 0 | 0 | 0 | 104 | Q555 C559 R600 | Q555-I557 PolarHBondContact O-N 3.03Å; Q555-I557 VanDerWaalsContact O-N 3.13Å; I557-C559 PolarHBondContact O-N 3.15Å; I557-R600 VanDerWaalsContact CD1-CZ 3.46Å | ||
| 558 | I | 28.5 | Very low | 37.2 | Very low | 111 Ų | 111 | 98.3 Ų | 98.3 | 57% | 0.569 | 52% | 0.515 | S | S | * | . | trans | -41.5 | 125.1 | 143.4 | -60.4 | 168.5 | 0 | 0 | 0 | 102.5 | R556 L560 | R556-I558 PolarHBondContact O-N 3.34Å; I558-L560 HydrophobicContact CG2-CD2 4.42Å; I558-L560 PolarHBondContact O-N 2.96Å | ||
| 559 | C | 33 | Very low | 36.9 | Very low | 115 Ų | 115 | 93.8 Ų | 93.8 | 78% | 0.777 | 49% | 0.491 | S | S | * | . | trans | -56.4 | 87 | 162 | -65.4 | 0 | 0 | 0 | 0 | 105 | I557 S561 | I557-C559 PolarHBondContact O-N 3.15Å; C559-S561 PolarHBondContact O-N 2.97Å | ||
| 560 | L | 34.6 | Very low | 36.6 | Very low | 43 Ų | 43 | 95.2 Ų | 95.2 | 23% | 0.225 | 50% | 0.496 | C | S | . | . | trans | -56.9 | 127.1 | 171.3 | -73.1 | 174.6 | 0 | 0 | 0 | 102.8 | I558 E564 I565 Q568 | I558-L560 HydrophobicContact CG2-CD2 4.42Å; I558-L560 PolarHBondContact O-N 2.96Å; L560-E564 WeakPolarHBondContact CA-OE2 3.01Å; L560-E564 HydrophobicContact CB-CB 3.74Å; L560-E564 HydrophobicContact CD2-CB 3.77Å; L560-E564 HydrophobicContact CD2-CG 4.22Å; L560-E564 HydrophobicContact CG-CB 4.19Å; L560-I565 HydrophobicContact CB-CD1 4.44Å; L560-I565 HydrophobicContact CB-CG1 3.72Å; L560-I565 HydrophobicContact CD1-CG1 4.45Å; L560-Q568 VanDerWaalsContact CD1-OE1 3.23Å | ||
| 561 | S | 39.7 | Very low | 36.7 | Very low | 51 Ų | 51 | 98 Ų | 98 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | trans | -48.6 | 147.6 | 169 | 54.4 | 0 | 0 | 0 | 0 | 108.6 | C559 T563 E564 I565 | C559-S561 PolarHBondContact O-N 2.97Å; S561-T563 VanDerWaalsContact CB-OG1 3.26Å; S561-T563 WeakPolarHBondContact CB-OG1 3.49Å; S561-T563 CarbonylContact O-C 3.3Å; S561-T563 PolarHBondContact O-N 3.38Å; S561-T563 PolarHBondContact OG-OG1 2.92Å; S561-E564 PolarHBondContact N-OE2 3.01Å; S561-E564 PolarHBondContact O-N 2.79Å; S561-E564 WeakPolarHBondContact OG-CG 3.01Å; S561-E564 PolarHBondContact OG-N 3.42Å; S561-E564 PolarHBondContact OG-OE2 3.46Å; S561-I565 PolarHBondContact O-N 3.38Å | ||
| 562 | D | 38.5 | Very low | 36.9 | Very low | 98 Ų | 98 | 93.7 Ų | 93.7 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -49.3 | -28.7 | 179 | -67.9 | -37.3 | 0 | 0 | 0 | 111.8 | C566 | D562-C566 PolarHBondContact O-N 2.97Å; D562-C566 PolarHBondContact O-SG 3.12Å; D562-C566 VanDerWaalsContact O-SG 3.37Å |
| 563 | T | 39 | Very low | 37 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.7 | -45.2 | 170.8 | 33.5 | 0 | 0 | 0 | 0 | 115.4 | S561 I565 C566 L567 | S561-T563 VanDerWaalsContact CB-OG1 3.26Å; S561-T563 WeakPolarHBondContact CB-OG1 3.49Å; S561-T563 CarbonylContact O-C 3.3Å; S561-T563 PolarHBondContact O-N 3.38Å; S561-T563 PolarHBondContact OG-OG1 2.92Å; T563-I565 VanDerWaalsContact C-N 3.34Å; T563-C566 PolarHBondContact O-N 3.46Å; T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 3.13Å |
| 564 | E | 43.4 | Very low | 37.4 | Very low | 83 Ų | 83 | 92.9 Ų | 92.9 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.6 | -30.8 | 179.5 | -80.4 | 165.1 | 138.6 | 0 | 0 | 112.3 | L560 S561 L567 Q568 | L560-E564 WeakPolarHBondContact CA-OE2 3.01Å; L560-E564 HydrophobicContact CB-CB 3.74Å; L560-E564 HydrophobicContact CD2-CB 3.77Å; L560-E564 HydrophobicContact CD2-CG 4.22Å; L560-E564 HydrophobicContact CG-CB 4.19Å; S561-E564 PolarHBondContact N-OE2 3.01Å; S561-E564 PolarHBondContact O-N 2.79Å; S561-E564 WeakPolarHBondContact OG-CG 3.01Å; S561-E564 PolarHBondContact OG-N 3.42Å; S561-E564 PolarHBondContact OG-OE2 3.46Å; E564-L567 PolarHBondContact O-N 2.92Å; E564-Q568 PolarHBondContact O-N 2.91Å |
| 565 | I | 42.6 | Very low | 38 | Very low | 39 Ų | 39 | 89.2 Ų | 89.2 | 20% | 0.2 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 172.9 | -60.8 | 168.2 | 0 | 0 | 0 | 109.8 | N502 L560 S561 T563 L567 Q568 V569 | N502-I565 WeakPolarHBondContact ND2-CD1 3.45Å; L560-I565 HydrophobicContact CB-CD1 4.44Å; L560-I565 HydrophobicContact CB-CG1 3.72Å; L560-I565 HydrophobicContact CD1-CG1 4.45Å; S561-I565 PolarHBondContact O-N 3.38Å; T563-I565 VanDerWaalsContact C-N 3.34Å; I565-L567 VanDerWaalsContact C-N 3.26Å; I565-L567 PolarHBondContact O-N 3.3Å; I565-Q568 PolarHBondContact O-N 2.91Å; I565-V569 HydrophobicContact CG2-CG2 4.28Å; I565-V569 WeakPolarHBondContact O-CB 3.46Å; I565-V569 VanDerWaalsContact O-CG2 3.28Å; I565-V569 WeakPolarHBondContact O-CG2 3.17Å; I565-V569 PolarHBondContact O-N 3.17Å |
| 566 | C | 39.3 | Very low | 38.2 | Very low | 27 Ų | 27 | 82.9 Ų | 82.9 | 18% | 0.182 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 174.4 | -73.7 | 0 | 0 | 0 | 0 | 110.9 | D562 T563 F570 | D562-C566 PolarHBondContact O-N 2.97Å; D562-C566 PolarHBondContact O-SG 3.12Å; D562-C566 VanDerWaalsContact O-SG 3.37Å; T563-C566 PolarHBondContact O-N 3.46Å; C566-F570 VanDerWaalsContact O-CB 3.27Å; C566-F570 WeakPolarHBondContact O-CB 3.4Å; C566-F570 WeakPolarHBondContact O-CD2 3.33Å; C566-F570 PolarHBondContact O-N 3.31Å |
| 567 | L | 42.7 | Very low | 38.4 | Very low | 103 Ų | 103 | 79.4 Ų | 79.4 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -50.3 | 177.9 | -77 | 164.6 | 0 | 0 | 0 | 112.6 | T563 E564 I565 V569 F570 D571 | T563-L567 WeakPolarHBondContact O-CG 3.39Å; T563-L567 PolarHBondContact O-N 3.13Å; E564-L567 PolarHBondContact O-N 2.92Å; I565-L567 VanDerWaalsContact C-N 3.26Å; I565-L567 PolarHBondContact O-N 3.3Å; L567-V569 VanDerWaalsContact C-N 3.32Å; L567-V569 PolarHBondContact O-N 2.91Å; L567-F570 CarbonylContact O-C 3.49Å; L567-F570 WeakPolarHBondContact O-CB 3.46Å; L567-F570 PolarHBondContact O-N 3.13Å; L567-F570 VanDerWaalsContact O-N 3.16Å; L567-D571 WeakPolarHBondContact O-CB 3.36Å; L567-D571 VanDerWaalsContact O-CG 3.26Å; L567-D571 PolarHBondContact O-N 2.89Å |
| 568 | Q | 43.2 | Very low | 38.5 | Very low | 93 Ų | 93 | 84.1 Ų | 84.1 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 178.3 | -81.8 | -170.6 | -15.9 | 0 | 0 | 113 | L560 E564 I565 N572 | L560-Q568 VanDerWaalsContact CD1-OE1 3.23Å; E564-Q568 PolarHBondContact O-N 2.91Å; I565-Q568 PolarHBondContact O-N 2.91Å; Q568-N572 VanDerWaalsContact O-CB 3.29Å; Q568-N572 WeakPolarHBondContact O-CB 3.4Å; Q568-N572 VanDerWaalsContact O-CG 3.29Å; Q568-N572 PolarHBondContact O-N 2.96Å; Q568-N572 PolarHBondContact O-ND2 3.11Å |
| 569 | V | 41.2 | Very low | 38.5 | Very low | 13 Ų | 13 | 84.6 Ų | 84.6 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68 | -41.3 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | T441 I495 I565 L567 L573 | T441-V569 HydrophobicContact CG2-CB 4.23Å; T441-V569 HydrophobicContact CG2-CG1 3.84Å; T441-V569 HydrophobicContact CG2-CG2 4.15Å; I495-V569 HydrophobicContact CG2-CB 4.47Å; I495-V569 HydrophobicContact CG2-CG1 3.81Å; I495-V569 HydrophobicContact CG2-CG2 3.83Å; I565-V569 HydrophobicContact CG2-CG2 4.28Å; I565-V569 WeakPolarHBondContact O-CB 3.46Å; I565-V569 VanDerWaalsContact O-CG2 3.28Å; I565-V569 WeakPolarHBondContact O-CG2 3.17Å; I565-V569 PolarHBondContact O-N 3.17Å; L567-V569 VanDerWaalsContact C-N 3.32Å; L567-V569 PolarHBondContact O-N 2.91Å; V569-L573 HydrophobicContact CG1-CD1 3.46Å; V569-L573 VanDerWaalsContact CG1-CD1 3.46Å; V569-L573 HydrophobicContact CG1-CG 4.36Å; V569-L573 WeakPolarHBondContact O-CB 3.31Å; V569-L573 WeakPolarHBondContact O-CD1 3.22Å; V569-L573 VanDerWaalsContact O-CG 3.31Å; V569-L573 WeakPolarHBondContact O-CG 3.21Å; V569-L573 PolarHBondContact O-N 3.26Å |
| 570 | F | 40.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 88.2 Ų | 88.2 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 173.8 | -106.2 | -90.2 | 0 | 0 | 0 | 111.9 | T438 C566 L567 L573 F574 | T438-F570 HydrophobicContact CG2-CE2 4.13Å; T438-F570 HydrophobicContact CG2-CZ 4.11Å; C566-F570 VanDerWaalsContact O-CB 3.27Å; C566-F570 WeakPolarHBondContact O-CB 3.4Å; C566-F570 WeakPolarHBondContact O-CD2 3.33Å; C566-F570 PolarHBondContact O-N 3.31Å; L567-F570 CarbonylContact O-C 3.49Å; L567-F570 WeakPolarHBondContact O-CB 3.46Å; L567-F570 PolarHBondContact O-N 3.13Å; L567-F570 VanDerWaalsContact O-N 3.16Å; F570-L573 PolarHBondContact O-N 3.31Å; F570-F574 HydrophobicContact CD1-CD2 4.02Å; F570-F574 AromaticContact CD1-CE2 3.83Å; F570-F574 HydrophobicContact CD1-CE2 3.83Å; F570-F574 AromaticContact CE1-CE2 3.96Å; F570-F574 HydrophobicContact CE1-CE2 3.96Å; F570-F574 WeakPolarHBondContact O-CD2 3.42Å; F570-F574 PolarHBondContact O-N 3.46Å |
| 571 | D | 43.6 | Very low | 38.3 | Very low | 96 Ų | 96 | 93.1 Ų | 93.1 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | -179.4 | -71 | -21.4 | 0 | 0 | 0 | 110.3 | L567 L573 F574 D575 | L567-D571 WeakPolarHBondContact O-CB 3.36Å; L567-D571 VanDerWaalsContact O-CG 3.26Å; L567-D571 PolarHBondContact O-N 2.89Å; D571-L573 PolarHBondContact O-N 3.02Å; D571-F574 PolarHBondContact O-N 3.2Å; D571-D575 WeakPolarHBondContact O-CB 3.47Å; D571-D575 PolarHBondContact O-N 3.31Å |
| 572 | N | 42.4 | Very low | 38.1 | Very low | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.9 | -32.8 | 177.4 | -73.6 | -28.4 | 0 | 0 | 0 | 113.4 | I495 Q568 L576 | I495-N572 HydrophobicContact CD1-CB 4.15Å; Q568-N572 VanDerWaalsContact O-CB 3.29Å; Q568-N572 WeakPolarHBondContact O-CB 3.4Å; Q568-N572 VanDerWaalsContact O-CG 3.29Å; Q568-N572 PolarHBondContact O-N 2.96Å; Q568-N572 PolarHBondContact O-ND2 3.11Å; N572-L576 WeakPolarHBondContact O-CG 3.29Å; N572-L576 PolarHBondContact O-N 3.36Å; N572-L576 VanDerWaalsContact O-N 3.12Å |
| 573 | L | 37.1 | Very low | 38.1 | Very low | 29 Ų | 29 | 101.3 Ų | 101.3 | 15% | 0.152 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -73.7 | -30.3 | 176.1 | -81.7 | 161.7 | 0 | 0 | 0 | 113 | P437 T438 T492 V569 F570 D571 L576 | P437-L573 HydrophobicContact CB-CD2 4.49Å; T438-L573 HydrophobicContact CG2-CD1 4.15Å; T438-L573 WeakPolarHBondContact OG1-CD1 3.43Å; T492-L573 HydrophobicContact CG2-CD2 3.96Å; V569-L573 HydrophobicContact CG1-CD1 3.46Å; V569-L573 VanDerWaalsContact CG1-CD1 3.46Å; V569-L573 HydrophobicContact CG1-CG 4.36Å; V569-L573 WeakPolarHBondContact O-CB 3.31Å; V569-L573 WeakPolarHBondContact O-CD1 3.22Å; V569-L573 VanDerWaalsContact O-CG 3.31Å; V569-L573 WeakPolarHBondContact O-CG 3.21Å; V569-L573 PolarHBondContact O-N 3.26Å; F570-L573 PolarHBondContact O-N 3.31Å; D571-L573 PolarHBondContact O-N 3.02Å; L573-L576 HydrophobicContact CD2-CD1 3.83Å; L573-L576 HydrophobicContact CG-CD1 4.47Å; L573-L576 WeakPolarHBondContact O-CB 3.41Å |
| 574 | F | 40.2 | Very low | 38 | Very low | 128 Ų | 128 | 103 Ų | 103 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -81.7 | -33.8 | 173.1 | -89.1 | -82 | 0 | 0 | 0 | 112.5 | F570 D571 L576 N577 | F570-F574 HydrophobicContact CD1-CD2 4.02Å; F570-F574 AromaticContact CD1-CE2 3.83Å; F570-F574 HydrophobicContact CD1-CE2 3.83Å; F570-F574 AromaticContact CE1-CE2 3.96Å; F570-F574 HydrophobicContact CE1-CE2 3.96Å; F570-F574 WeakPolarHBondContact O-CD2 3.42Å; F570-F574 PolarHBondContact O-N 3.46Å; D571-F574 PolarHBondContact O-N 3.2Å; F574-L576 PolarHBondContact O-N 3.13Å; F574-N577 PolarHBondContact O-N 3.04Å |
| 575 | D | 40 | Very low | 37.8 | Very low | 86 Ų | 86 | 101.2 Ų | 101.2 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.1 | -8.1 | 173.7 | -81.4 | -24.4 | 0 | 0 | 0 | 113.8 | D571 N577 R578 M579 | D571-D575 WeakPolarHBondContact O-CB 3.47Å; D571-D575 PolarHBondContact O-N 3.31Å; D575-N577 PolarHBondContact O-N 3.08Å; D575-N577 VanDerWaalsContact O-N 3.08Å; D575-R578 PolarHBondContact O-N 2.71Å; D575-M579 PolarHBondContact O-N 3.14Å |
| 576 | L | 33.1 | Very low | 38.2 | Very low | 32 Ų | 32 | 101.7 Ų | 101.7 | 17% | 0.168 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17 | 170.7 | -108.4 | 156.8 | 0 | 0 | 0 | 113.3 | N489 T492 N572 L573 F574 | N489-L576 HydrophobicContact CB-CD2 3.7Å; N489-L576 WeakPolarHBondContact ND2-CD2 3.4Å; T492-L576 HydrophobicContact CG2-CD1 4.07Å; N572-L576 WeakPolarHBondContact O-CG 3.29Å; N572-L576 PolarHBondContact O-N 3.36Å; N572-L576 VanDerWaalsContact O-N 3.12Å; L573-L576 HydrophobicContact CD2-CD1 3.83Å; L573-L576 HydrophobicContact CG-CD1 4.47Å; L573-L576 WeakPolarHBondContact O-CB 3.41Å; F574-L576 PolarHBondContact O-N 3.13Å |
| 577 | N | 33.6 | Very low | 38.8 | Very low | 154 Ų | 154 | 105.8 Ų | 105.8 | 82% | 0.824 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.8 | 170 | -83.2 | -27.1 | 0 | 0 | 0 | 114.6 | F574 D575 | F574-N577 PolarHBondContact O-N 3.04Å; D575-N577 PolarHBondContact O-N 3.08Å; D575-N577 VanDerWaalsContact O-N 3.08Å |
| 578 | R | 32.3 | Very low | 39.3 | Very low | 220 Ų | 220 | 102.7 Ų | 102.7 | 83% | 0.83 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -11.1 | -177.8 | -89.8 | -174.7 | 171.9 | -178.1 | -1.3 | 116.6 | D575 K580 | D575-R578 PolarHBondContact O-N 2.71Å; R578-K580 PolarHBondContact O-N 3.4Å |
| 579 | M | 27.9 | Very low | 40 | Very low | 122 Ų | 122 | 99.2 Ų | 99.2 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | trans | -80.7 | 85.9 | 176.8 | -68.4 | -84.5 | -175.6 | 0 | 0 | 110.3 | D575 | D575-M579 PolarHBondContact O-N 3.14Š| ||
| 580 | K | 31.9 | Very low | 40.7 | Very low | 191 Ų | 191 | 99.3 Ų | 99.3 | 83% | 0.83 | 49% | 0.494 | S | S | * | . | trans | -89.8 | -13.9 | 176.9 | -103.7 | -172 | 178.4 | -176.3 | 0 | 114.9 | R578 | R578-K580 PolarHBondContact O-N 3.4Š| ||
| 581 | D | 32.6 | Very low | 41.9 | Very low | 146 Ų | 146 | 96.7 Ų | 96.7 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | trans | -147.4 | 91.6 | -172.1 | -70.4 | -54.6 | 0 | 0 | 0 | 109.3 | ||||
| 582 | E | 35.3 | Very low | 43 | Very low | 163 Ų | 163 | 92.1 Ų | 92.1 | 76% | 0.762 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -155.9 | 142 | 159 | -112.1 | 169 | -140 | 0 | 0 | 111 | V584 | E582-V584 PolarHBondContact O-N 3.26Š|
| 583 | N | 38.2 | Very low | 44.1 | Very low | 157 Ų | 157 | 88.9 Ų | 88.9 | 84% | 0.84 | 44% | 0.441 | S | S | * | . | trans | -46.2 | 115.5 | -160 | -67.7 | -41.1 | 0 | 0 | 0 | 114.3 | L585 | N583-L585 PolarHBondContact O-N 3.05Š| ||
| 584 | V | 37.1 | Very low | 45.6 | Very low | 132 Ų | 132 | 88 Ų | 88 | 80% | 0.8 | 44% | 0.436 | S | S | * | . | trans | -62.1 | 101.8 | 173.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | E582 S586 | E582-V584 PolarHBondContact O-N 3.26Å; V584-S586 PolarHBondContact O-N 3.45Å | ||
| 585 | L | 40 | Very low | 47.1 | Very low | 44 Ų | 44 | 82 Ų | 82 | 23% | 0.23 | 41% | 0.41 | C | S | . | . | trans | -53.9 | 135.7 | 163.7 | -77.4 | 173.1 | 0 | 0 | 0 | 108.6 | I490 N583 D589 | I490-L585 HydrophobicContact CD1-CB 3.88Å; I490-L585 HydrophobicContact CD1-CG 4.4Å; I490-L585 HydrophobicContact CG2-CD1 4.27Å; N583-L585 PolarHBondContact O-N 3.05Å; L585-D589 WeakPolarHBondContact CA-OD2 3.37Å; L585-D589 HydrophobicContact CB-CB 3.78Å; L585-D589 HydrophobicContact CD2-CB 3.97Å; L585-D589 WeakPolarHBondContact CD2-OD2 3.33Å; L585-D589 HydrophobicContact CG-CB 4.32Å | ||
| 586 | S | 50.7 | Low | 48.5 | Very low | 50 Ų | 50 | 78.5 Ų | 78.5 | 35% | 0.35 | 39% | 0.392 | S | S | . | . | trans | -62.8 | 160.2 | -179.4 | 97.8 | 0 | 0 | 0 | 0 | 111 | V584 Q588 D589 | V584-S586 PolarHBondContact O-N 3.45Å; S586-Q588 PolarHBondContact O-N 3.41Å; S586-Q588 VanDerWaalsContact O-N 3.13Å; S586-Q588 PolarHBondContact OG-N 3.11Å; S586-D589 VanDerWaalsContact CB-OD1 3.31Å; S586-D589 WeakPolarHBondContact CB-OD1 3.4Å; S586-D589 PolarHBondContact N-OD2 3.21Å; S586-D589 VanDerWaalsContact O-CB 3.26Å; S586-D589 WeakPolarHBondContact O-CB 3.46Å; S586-D589 PolarHBondContact O-N 2.73Å; S586-D589 PolarHBondContact OG-OD1 2.98Å | ||
| 587 | I | 51.2 | Low | 50.3 | Low | 112 Ų | 112 | 78 Ų | 78 | 57% | 0.574 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -53.2 | -37.1 | 179.7 | -64.4 | 168.5 | 0 | 0 | 0 | 111.4 | D589 | I587-D589 VanDerWaalsContact C-N 3.34Å; I587-D589 PolarHBondContact O-N 3.03Å |
| 588 | Q | 54.3 | Low | 52 | Low | 38 Ų | 38 | 70.9 Ų | 70.9 | 18% | 0.178 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | -29.7 | 178.3 | -68.9 | -176.2 | -16.1 | 0 | 0 | 112.9 | N541 S586 D591 V592 | N541-Q588 PolarHBondContact ND2-OE1 3.38Å; S586-Q588 PolarHBondContact O-N 3.41Å; S586-Q588 VanDerWaalsContact O-N 3.13Å; S586-Q588 PolarHBondContact OG-N 3.11Å; Q588-D591 PolarHBondContact O-N 3.08Å; Q588-V592 WeakPolarHBondContact O-CG2 3.24Å; Q588-V592 PolarHBondContact O-N 3.5Å |
| 589 | D | 57.4 | Low | 53.8 | Low | 20 Ų | 20 | 60.4 Ų | 60.4 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | -177.8 | -51.4 | 8.9 | 0 | 0 | 0 | 111.9 | I545 L585 S586 I587 V592 L593 | I545-D589 HydrophobicContact CD1-CB 3.8Å; I545-D589 WeakPolarHBondContact CD1-OD1 3.35Å; I545-D589 HydrophobicContact CG1-CB 3.94Å; I545-D589 VanDerWaalsContact CG1-CG 3.46Å; I545-D589 WeakPolarHBondContact CG1-OD1 3.25Å; I545-D589 HydrophobicContact CG2-CB 4.02Å; L585-D589 WeakPolarHBondContact CA-OD2 3.37Å; L585-D589 HydrophobicContact CB-CB 3.78Å; L585-D589 HydrophobicContact CD2-CB 3.97Å; L585-D589 WeakPolarHBondContact CD2-OD2 3.33Å; L585-D589 HydrophobicContact CG-CB 4.32Å; S586-D589 VanDerWaalsContact CB-OD1 3.31Å; S586-D589 WeakPolarHBondContact CB-OD1 3.4Å; S586-D589 PolarHBondContact N-OD2 3.21Å; S586-D589 VanDerWaalsContact O-CB 3.26Å; S586-D589 WeakPolarHBondContact O-CB 3.46Å; S586-D589 PolarHBondContact O-N 2.73Å; S586-D589 PolarHBondContact OG-OD1 2.98Å; I587-D589 VanDerWaalsContact C-N 3.34Å; I587-D589 PolarHBondContact O-N 3.03Å; D589-V592 PolarHBondContact O-N 2.89Å; D589-L593 PolarHBondContact O-N 2.9Å |
| 590 | N | 56.6 | Low | 55.7 | Low | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.08 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177.4 | -75.8 | -48.9 | 0 | 0 | 0 | 111.9 | V592 L593 Y594 | N590-V592 VanDerWaalsContact C-N 3.35Å; N590-V592 PolarHBondContact O-N 3.39Å; N590-L593 WeakPolarHBondContact O-CB 3.47Å; N590-L593 PolarHBondContact O-N 3.45Å; N590-Y594 WeakPolarHBondContact O-CD2 3.45Å; N590-Y594 PolarHBondContact O-N 2.82Å |
| 591 | D | 64.6 | Low | 57.4 | Low | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | -179.3 | -65.4 | -19.9 | 0 | 0 | 0 | 111.4 | C534 I537 Q588 L593 | C534-D591 PolarHBondContact SG-O 3.25Å; I537-D591 HydrophobicContact CD1-CB 3.62Å; I537-D591 HydrophobicContact CG1-CB 4.14Å; Q588-D591 PolarHBondContact O-N 3.08Å; D591-L593 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 2.92Å |
| 592 | V | 66.5 | Low | 59 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 173 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | I537 I545 Q588 D589 N590 Y594 L595 V596 L686 I690 | I537-V592 HydrophobicContact CD1-CG2 3.8Å; I537-V592 HydrophobicContact CG2-CG2 4.11Å; I545-V592 HydrophobicContact CD1-CG2 4.4Å; Q588-V592 WeakPolarHBondContact O-CG2 3.24Å; Q588-V592 PolarHBondContact O-N 3.5Å; D589-V592 PolarHBondContact O-N 2.89Å; N590-V592 VanDerWaalsContact C-N 3.35Å; N590-V592 PolarHBondContact O-N 3.39Å; V592-Y594 PolarHBondContact O-N 3.24Å; V592-L595 WeakPolarHBondContact O-CB 3.45Å; V592-L595 PolarHBondContact O-N 2.85Å; V592-V596 HydrophobicContact CG1-CG2 4.27Å; V592-V596 WeakPolarHBondContact O-CG2 3.29Å; V592-V596 PolarHBondContact O-N 3.32Å; V592-L686 HydrophobicContact CB-CD2 4.46Å; V592-L686 HydrophobicContact CG1-CD1 3.81Å; V592-L686 HydrophobicContact CG1-CD2 4.34Å; V592-L686 HydrophobicContact CG1-CG 4.44Å; V592-L686 HydrophobicContact CG2-CD1 4Å; V592-L686 HydrophobicContact CG2-CD2 3.92Å; V592-I690 HydrophobicContact CG1-CD1 4.34Å |
| 593 | L | 66.1 | Low | 60.5 | Low | 14 Ų | 14 | 37.2 Ų | 37.2 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | -176.3 | -172.7 | 67 | 0 | 0 | 0 | 113.1 | E494 L549 D589 N590 D591 L595 V596 K597 | E494-L593 HydrophobicContact CG-CD2 3.51Å; E494-L593 WeakPolarHBondContact OE1-CD2 3.42Å; L549-L593 HydrophobicContact CD1-CD1 3.85Å; L549-L593 HydrophobicContact CD2-CD1 4.01Å; D589-L593 PolarHBondContact O-N 2.9Å; N590-L593 WeakPolarHBondContact O-CB 3.47Å; N590-L593 PolarHBondContact O-N 3.45Å; D591-L593 VanDerWaalsContact C-N 3.34Å; D591-L593 PolarHBondContact O-N 2.92Å; L593-L595 VanDerWaalsContact C-N 3.31Å; L593-L595 PolarHBondContact O-N 3.46Å; L593-V596 WeakPolarHBondContact O-CB 3.42Å; L593-V596 PolarHBondContact O-N 3.21Å; L593-K597 PolarHBondContact O-N 3.23Å |
| 594 | Y | 68.6 | Low | 61.7 | Low | 11 Ų | 11 | 31.6 Ų | 31.6 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 174.2 | -72.5 | -71.5 | 0 | 0 | 0 | 112.1 | L463 Y466 L467 T493 M497 N590 V592 V596 K597 L598 | L463-Y594 HydrophobicContact CD2-CE1 3.89Å; Y466-Y594 WeakPolarHBondContact CD1-OH 3.46Å; Y466-Y594 VanDerWaalsContact CE1-OH 3.24Å; Y466-Y594 WeakPolarHBondContact CE1-OH 3.44Å; L467-Y594 HydrophobicContact CD2-CD2 4.42Å; L467-Y594 HydrophobicContact CD2-CE2 3.85Å; T493-Y594 HydrophobicContact CG2-CE1 4.09Å; T493-Y594 HydrophobicContact CG2-CE2 4.39Å; T493-Y594 WeakPolarHBondContact CG2-OH 3.47Å; M497-Y594 HydrophobicContact CE-CD1 4.07Å; M497-Y594 HydrophobicContact CG-CD1 3.27Å; M497-Y594 HydrophobicContact CG-CE1 3.42Å; M497-Y594 VanDerWaalsContact CG-CE1 3.42Å; M497-Y594 HydrophobicContact SD-CD1 3.55Å; M497-Y594 VanDerWaalsContact SD-CD1 3.55Å; M497-Y594 HydrophobicContact SD-CE1 3.92Å; N590-Y594 WeakPolarHBondContact O-CD2 3.45Å; N590-Y594 PolarHBondContact O-N 2.82Å; V592-Y594 PolarHBondContact O-N 3.24Å; Y594-V596 VanDerWaalsContact C-N 3.35Å; Y594-K597 PolarHBondContact O-N 3.16Å; Y594-L598 WeakPolarHBondContact O-CB 3.31Å; Y594-L598 PolarHBondContact O-N 3.29Å |
| 595 | L | 70.8 | Confident | 62.9 | Low | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.5 | -175.1 | 66.4 | 0 | 0 | 0 | 111 | V592 L593 I599 L683 L686 I687 I690 | V592-L595 WeakPolarHBondContact O-CB 3.45Å; V592-L595 PolarHBondContact O-N 2.85Å; L593-L595 VanDerWaalsContact C-N 3.31Å; L593-L595 PolarHBondContact O-N 3.46Å; L595-I599 HydrophobicContact CD1-CD1 4.11Å; L595-I599 HydrophobicContact CG-CD1 3.92Å; L595-I599 WeakPolarHBondContact O-CB 3.39Å; L595-I599 VanDerWaalsContact O-CG1 3.28Å; L595-I599 WeakPolarHBondContact O-CG1 3.24Å; L595-I599 PolarHBondContact O-N 3.13Å; L595-L683 HydrophobicContact CD2-CD2 4.32Å; L595-L686 HydrophobicContact CD2-CD2 3.61Å; L595-L686 HydrophobicContact CD2-CG 3.95Å; L595-I687 HydrophobicContact CD1-CG1 4.19Å; L595-I687 HydrophobicContact CD2-CG1 3.76Å; L595-I687 HydrophobicContact CG-CG1 4.38Å; L595-I690 HydrophobicContact CB-CD1 4.27Å; L595-I690 HydrophobicContact CD2-CD1 3.74Å; L595-I690 HydrophobicContact CG-CD1 3.92Å |
| 596 | V | 70.4 | Confident | 63.9 | Low | 11 Ų | 11 | 25.5 Ų | 25.5 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 173.5 | 163.8 | 0 | 0 | 0 | 0 | 112 | L546 V592 L593 Y594 I599 R600 I690 F694 | L546-V596 HydrophobicContact CD1-CG2 4.22Å; V592-V596 HydrophobicContact CG1-CG2 4.27Å; V592-V596 WeakPolarHBondContact O-CG2 3.29Å; V592-V596 PolarHBondContact O-N 3.32Å; L593-V596 WeakPolarHBondContact O-CB 3.42Å; L593-V596 PolarHBondContact O-N 3.21Å; Y594-V596 VanDerWaalsContact C-N 3.35Å; V596-I599 PolarHBondContact O-N 3.25Å; V596-R600 WeakPolarHBondContact O-CB 3.04Å; V596-R600 PolarHBondContact O-N 3Å; V596-I690 HydrophobicContact CB-CG2 4.34Å; V596-I690 HydrophobicContact CG2-CB 4.46Å; V596-I690 HydrophobicContact CG2-CD1 3.6Å; V596-I690 HydrophobicContact CG2-CG1 3.69Å; V596-I690 HydrophobicContact CG2-CG2 3.9Å; V596-F694 HydrophobicContact CB-CE2 4.44Å; V596-F694 HydrophobicContact CG1-CE2 3.44Å; V596-F694 VanDerWaalsContact CG1-CE2 3.44Å; V596-F694 HydrophobicContact CG1-CZ 3.52Å |
| 597 | K | 69.4 | Low | 64.3 | Low | 22 Ų | 22 | 31.8 Ų | 31.8 | 10% | 0.096 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -43.1 | -177.9 | -69.8 | -169.6 | 176.1 | -153.2 | 0 | 112 | E494 M497 D498 L501 L593 Y594 I599 R600 F601 | E494-K597 PolarHBondContact O-NZ 3.11Å; M497-K597 HydrophobicContact CB-CD 3.67Å; D498-K597 WeakPolarHBondContact OD1-CD 3.45Å; D498-K597 WeakPolarHBondContact OD1-CE 3.22Å; D498-K597 IonicContact OD1-NZ 2.63Å; D498-K597 PolarHBondContact OD1-NZ 3.38Å; D498-K597 IonicContact OD2-NZ 3.43Å; D498-K597 PolarHBondContact OD2-NZ 2.87Å; L501-K597 HydrophobicContact CD1-CB 3.71Å; L501-K597 VanDerWaalsContact CD1-O 3.29Å; L501-K597 WeakPolarHBondContact CD1-O 3.47Å; L593-K597 PolarHBondContact O-N 3.23Å; Y594-K597 PolarHBondContact O-N 3.16Å; K597-I599 PolarHBondContact O-N 2.62Å; K597-R600 WeakPolarHBondContact O-CB 3.25Å; K597-R600 PolarHBondContact O-N 2.9Å; K597-F601 PolarHBondContact O-N 2.83Å |
| 598 | L | 70.9 | Confident | 64.4 | Low | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 175.8 | 178.8 | 66.2 | 0 | 0 | 0 | 111.5 | L501 F523 T527 I530 Y594 R600 F601 I602 | L501-L598 HydrophobicContact CD2-CD1 4.29Å; F523-L598 HydrophobicContact CE2-CD1 4.45Å; T527-L598 HydrophobicContact CG2-CD1 4.11Å; T527-L598 HydrophobicContact CG2-CD2 4.06Å; I530-L598 HydrophobicContact CD1-CD2 4.11Å; I530-L598 HydrophobicContact CG2-CD2 4.42Å; Y594-L598 WeakPolarHBondContact O-CB 3.31Å; Y594-L598 PolarHBondContact O-N 3.29Å; L598-R600 VanDerWaalsContact C-N 3.34Å; L598-R600 PolarHBondContact O-N 3.24Å; L598-F601 PolarHBondContact O-N 3.49Å; L598-I602 HydrophobicContact CD1-CD1 4.12Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.89Å; L598-I602 VanDerWaalsContact O-CG1 3.3Å; L598-I602 WeakPolarHBondContact O-CG1 3.37Å; L598-I602 PolarHBondContact O-N 3.36Å |
| 599 | I | 70.5 | Confident | 64.2 | Low | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.8 | -75.8 | 172 | 0 | 0 | 0 | 110.9 | L595 V596 K597 F601 I602 S603 L656 I687 I690 W696 | L595-I599 HydrophobicContact CD1-CD1 4.11Å; L595-I599 HydrophobicContact CG-CD1 3.92Å; L595-I599 WeakPolarHBondContact O-CB 3.39Å; L595-I599 VanDerWaalsContact O-CG1 3.28Å; L595-I599 WeakPolarHBondContact O-CG1 3.24Å; L595-I599 PolarHBondContact O-N 3.13Å; V596-I599 PolarHBondContact O-N 3.25Å; K597-I599 PolarHBondContact O-N 2.62Å; I599-F601 VanDerWaalsContact C-N 3.33Å; I599-F601 PolarHBondContact O-N 3.15Å; I599-I602 PolarHBondContact O-N 3.35Å; I599-S603 VanDerWaalsContact O-CB 3.28Å; I599-S603 WeakPolarHBondContact O-CB 3.34Å; I599-S603 PolarHBondContact O-N 3.32Å; I599-L656 HydrophobicContact CD1-CD2 4.39Å; I599-L656 HydrophobicContact CG1-CD2 4.48Å; I599-I687 HydrophobicContact CD1-CG1 4.48Å; I599-I687 HydrophobicContact CD1-CG2 4.09Å; I599-I690 HydrophobicContact CB-CG2 3.99Å; I599-I690 HydrophobicContact CD1-CB 4.02Å; I599-I690 HydrophobicContact CD1-CD1 4.41Å; I599-I690 HydrophobicContact CD1-CG2 3.66Å; I599-I690 HydrophobicContact CG1-CG2 4.41Å; I599-I690 HydrophobicContact CG2-CG2 3.81Å; I599-W696 HydrophobicContact CB-CE3 4.35Å; I599-W696 HydrophobicContact CB-CZ3 4.41Å; I599-W696 HydrophobicContact CG1-CE3 4.39Å; I599-W696 HydrophobicContact CG1-CZ3 4.07Å; I599-W696 HydrophobicContact CG2-CE3 3.6Å; I599-W696 HydrophobicContact CG2-CZ3 4.13Å |
| 600 | R | 67.5 | Low | 63.7 | Low | 98 Ų | 98 | 32.4 Ų | 32.4 | 37% | 0.37 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.2 | -40.5 | 176.4 | -173 | -176.7 | -176.5 | 173.6 | 4.8 | 112.4 | I557 V596 K597 L598 S603 S604 F694 | I557-R600 VanDerWaalsContact CD1-CZ 3.46Å; V596-R600 WeakPolarHBondContact O-CB 3.04Å; V596-R600 PolarHBondContact O-N 3Å; K597-R600 WeakPolarHBondContact O-CB 3.25Å; K597-R600 PolarHBondContact O-N 2.9Å; L598-R600 VanDerWaalsContact C-N 3.34Å; L598-R600 PolarHBondContact O-N 3.24Å; R600-S603 WeakPolarHBondContact O-CB 3.44Å; R600-S604 WeakPolarHBondContact O-CB 3.45Å; R600-S604 PolarHBondContact O-N 3.22Å; R600-F694 HydrophobicContact CB-CD1 4.05Å; R600-F694 HydrophobicContact CB-CE1 4.2Å; R600-F694 HydrophobicContact CB-CG 4.36Å; R600-F694 HydrophobicContact CG-CD1 3.8Å; R600-F694 HydrophobicContact CG-CE1 3.94Å |
| 601 | F | 66.5 | Low | 63.1 | Low | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.035 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -46.6 | 175.8 | 165.9 | -95.6 | 0 | 0 | 0 | 112.6 | L501 C504 N505 F523 K597 L598 I599 S603 S604 M605 | L501-F601 HydrophobicContact CB-CB 4.06Å; L501-F601 HydrophobicContact CB-CD2 3.78Å; L501-F601 HydrophobicContact CB-CG 4.05Å; L501-F601 HydrophobicContact CD1-CB 3.91Å; L501-F601 HydrophobicContact CD2-CB 3.52Å; L501-F601 HydrophobicContact CD2-CD1 3.87Å; L501-F601 HydrophobicContact CD2-CD2 4.14Å; L501-F601 HydrophobicContact CD2-CG 3.57Å; L501-F601 HydrophobicContact CG-CB 3.98Å; L501-F601 HydrophobicContact CG-CD2 4.47Å; L501-F601 HydrophobicContact CG-CG 4.24Å; L501-F601 WeakPolarHBondContact O-CD2 3.01Å; L501-F601 WeakPolarHBondContact O-CE2 3.48Å; C504-F601 HydrophobicContact CB-CE1 3.9Å; C504-F601 HydrophobicContact CB-CE2 3.53Å; C504-F601 HydrophobicContact CB-CZ 3.17Å; N505-F601 HydrophobicContact CB-CE2 4.45Å; N505-F601 WeakPolarHBondContact OD1-CE2 3.4Å; F523-F601 HydrophobicContact CE2-CE1 4.01Å; F523-F601 HydrophobicContact CZ-CE1 4.5Å; K597-F601 PolarHBondContact O-N 2.83Å; L598-F601 PolarHBondContact O-N 3.49Å; I599-F601 VanDerWaalsContact C-N 3.33Å; I599-F601 PolarHBondContact O-N 3.15Å; F601-S603 VanDerWaalsContact C-N 3.26Å; F601-S603 PolarHBondContact O-N 3.42Å; F601-S604 CarbonylContact O-C 3.53Å; F601-S604 WeakPolarHBondContact O-CA 3.39Å; F601-S604 WeakPolarHBondContact O-CB 3.45Å; F601-S604 PolarHBondContact O-N 3.26Å; F601-M605 HydrophobicContact CD1-CG 4.43Å; F601-M605 HydrophobicContact CD2-CG 4.3Å; F601-M605 HydrophobicContact CE1-CG 3.82Å; F601-M605 HydrophobicContact CE2-CG 3.7Å; F601-M605 HydrophobicContact CE2-SD 4.23Å; F601-M605 HydrophobicContact CZ-CG 3.38Å; F601-M605 HydrophobicContact CZ-SD 4.04Å; F601-M605 PolarHBondContact O-N 3.35Å |
| 602 | I | 66.4 | Low | 61.9 | Low | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 178 | -60.9 | 161.7 | 0 | 0 | 0 | 109.3 | L598 I599 S604 M605 C606 A652 W696 | L598-I602 HydrophobicContact CD1-CD1 4.12Å; L598-I602 HydrophobicContact CD1-CG1 4.41Å; L598-I602 HydrophobicContact CG-CD1 3.89Å; L598-I602 VanDerWaalsContact O-CG1 3.3Å; L598-I602 WeakPolarHBondContact O-CG1 3.37Å; L598-I602 PolarHBondContact O-N 3.36Å; I599-I602 PolarHBondContact O-N 3.35Å; I602-S604 VanDerWaalsContact C-N 3.29Å; I602-S604 PolarHBondContact O-N 3.04Å; I602-M605 PolarHBondContact O-N 3.42Å; I602-C606 VanDerWaalsContact O-CB 3.24Å; I602-C606 WeakPolarHBondContact O-CB 3.34Å; I602-C606 PolarHBondContact O-N 2.7Å; I602-C606 PolarHBondContact O-SG 3.21Å; I602-C606 VanDerWaalsContact O-SG 3.41Å; I602-A652 HydrophobicContact CD1-CB 3.86Å; I602-A652 HydrophobicContact CG1-CB 4.45Å; I602-A652 HydrophobicContact CG2-CB 3.93Å; I602-W696 HydrophobicContact CB-CH2 3.91Å; I602-W696 HydrophobicContact CB-CZ2 4.04Å; I602-W696 HydrophobicContact CB-CZ3 4.4Å; I602-W696 HydrophobicContact CD1-CH2 4.14Å; I602-W696 HydrophobicContact CG2-CH2 3.42Å; I602-W696 VanDerWaalsContact CG2-CH2 3.42Å; I602-W696 HydrophobicContact CG2-CZ2 3.2Å; I602-W696 HydrophobicContact CG2-CZ3 4.35Å |
| 603 | S | 66.8 | Low | 60.5 | Low | 24 Ų | 24 | 42.2 Ų | 42.2 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.7 | -42.8 | 171.2 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | I599 R600 F601 C606 R607 W696 | I599-S603 VanDerWaalsContact O-CB 3.28Å; I599-S603 WeakPolarHBondContact O-CB 3.34Å; I599-S603 PolarHBondContact O-N 3.32Å; R600-S603 WeakPolarHBondContact O-CB 3.44Å; F601-S603 VanDerWaalsContact C-N 3.26Å; F601-S603 PolarHBondContact O-N 3.42Å; S603-C606 CarbonylContact O-C 3.57Å; S603-C606 PolarHBondContact O-N 2.95Å; S603-R607 PolarHBondContact O-N 2.9Å; S603-W696 WeakPolarHBondContact OG-CB 3.35Å |
| 604 | S | 63.5 | Low | 58.8 | Low | 39 Ų | 39 | 44.8 Ų | 44.8 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69 | -37.8 | 178 | -170.6 | 0 | 0 | 0 | 0 | 113.8 | R600 F601 I602 R607 | R600-S604 WeakPolarHBondContact O-CB 3.45Å; R600-S604 PolarHBondContact O-N 3.22Å; F601-S604 CarbonylContact O-C 3.53Å; F601-S604 WeakPolarHBondContact O-CA 3.39Å; F601-S604 WeakPolarHBondContact O-CB 3.45Å; F601-S604 PolarHBondContact O-N 3.26Å; I602-S604 VanDerWaalsContact C-N 3.29Å; I602-S604 PolarHBondContact O-N 3.04Å; S604-R607 VanDerWaalsContact O-CB 3.26Å; S604-R607 WeakPolarHBondContact O-CB 3.33Å; S604-R607 WeakPolarHBondContact O-CD 3.33Å; S604-R607 WeakPolarHBondContact O-CG 3.45Å; S604-R607 PolarHBondContact O-N 3.01Å |
| 605 | M | 61.5 | Low | 57.2 | Low | 40 Ų | 40 | 50.3 Ų | 50.3 | 20% | 0.197 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 175.3 | -74.7 | -72.2 | 89 | 0 | 0 | 111.7 | N505 N508 F601 I602 R607 | N505-M605 HydrophobicContact CB-CE 4.43Å; N505-M605 WeakPolarHBondContact OD1-CE 3.46Å; N508-M605 PolarHBondContact ND2-SD 3.11Å; F601-M605 HydrophobicContact CD1-CG 4.43Å; F601-M605 HydrophobicContact CD2-CG 4.3Å; F601-M605 HydrophobicContact CE1-CG 3.82Å; F601-M605 HydrophobicContact CE2-CG 3.7Å; F601-M605 HydrophobicContact CE2-SD 4.23Å; F601-M605 HydrophobicContact CZ-CG 3.38Å; F601-M605 HydrophobicContact CZ-SD 4.04Å; F601-M605 PolarHBondContact O-N 3.35Å; I602-M605 PolarHBondContact O-N 3.42Å; M605-R607 PolarHBondContact O-N 3.47Å |
| 606 | C | 61.2 | Low | 55.1 | Low | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 33.7 | 166.6 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | I602 S603 I608 Y632 | I602-C606 VanDerWaalsContact O-CB 3.24Å; I602-C606 WeakPolarHBondContact O-CB 3.34Å; I602-C606 PolarHBondContact O-N 2.7Å; I602-C606 PolarHBondContact O-SG 3.21Å; I602-C606 VanDerWaalsContact O-SG 3.41Å; S603-C606 CarbonylContact O-C 3.57Å; S603-C606 PolarHBondContact O-N 2.95Å; C606-I608 PolarHBondContact O-N 3.02Å; C606-Y632 HydrophobicContact CB-CD1 4.26Å; C606-Y632 HydrophobicContact CB-CE1 3.58Å; C606-Y632 WeakPolarHBondContact O-CE1 3.24Å |
| 607 | R | 60.7 | Low | 53.1 | Low | 182 Ų | 182 | 62.5 Ų | 62.5 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 131.8 | 167.5 | -90.8 | 175.5 | -179.3 | -175.1 | 3.7 | 108.9 | S603 S604 M605 T609 | S603-R607 PolarHBondContact O-N 2.9Å; S604-R607 VanDerWaalsContact O-CB 3.26Å; S604-R607 WeakPolarHBondContact O-CB 3.33Å; S604-R607 WeakPolarHBondContact O-CD 3.33Å; S604-R607 WeakPolarHBondContact O-CG 3.45Å; S604-R607 PolarHBondContact O-N 3.01Å; M605-R607 PolarHBondContact O-N 3.47Å; R607-T609 PolarHBondContact O-N 2.82Å |
| 608 | I | 51.8 | Low | 51.1 | Low | 67 Ų | 67 | 70.9 Ų | 70.9 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 125.5 | -179.4 | -59 | 159.7 | 0 | 0 | 0 | 108.8 | C606 H630 Y706 | C606-I608 PolarHBondContact O-N 3.02Å; I608-H630 HydrophobicContact CG2-CB 3.24Å; I608-H630 WeakPolarHBondContact CG2-ND1 3.5Å; I608-Y706 HydrophobicContact CD1-CD2 4.32Å; I608-Y706 HydrophobicContact CD1-CE1 4.29Å; I608-Y706 HydrophobicContact CD1-CE2 3.42Å; I608-Y706 VanDerWaalsContact CD1-CE2 3.42Å; I608-Y706 VanDerWaalsContact CD1-OH 3.25Å; I608-Y706 WeakPolarHBondContact CD1-OH 3.48Å; I608-Y706 HydrophobicContact CG1-CD2 4.03Å; I608-Y706 HydrophobicContact CG1-CE2 3.63Å |
| 609 | T | 51.5 | Low | 49.1 | Very low | 48 Ų | 48 | 77 Ų | 77 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.9 | 164.5 | 41.9 | 0 | 0 | 0 | 0 | 109.8 | R607 H630 T631 W634 | R607-T609 PolarHBondContact O-N 2.82Å; T609-H630 WeakPolarHBondContact O-CA 3.47Å; T609-T631 PolarHBondContact N-O 2.94Å; T609-T631 PolarHBondContact O-N 3.45Å; T609-T631 PolarHBondContact OG1-O 2.99Å; T609-T631 PolarHBondContact OG1-OG1 2.65Å; T609-W634 HydrophobicContact CG2-CE3 4.18Å |
| 610 | T | 45.7 | Very low | 47.1 | Very low | 67 Ų | 67 | 83.6 Ų | 83.6 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 106 | 173.7 | -35.6 | 0 | 0 | 0 | 0 | 108 | ||
| 611 | I | 43.7 | Very low | 45.3 | Very low | 37 Ų | 37 | 86.9 Ų | 86.9 | 19% | 0.19 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 113.3 | 173.4 | -57.4 | 171.4 | 0 | 0 | 0 | 107.7 | T613 I629 W634 P635 Y713 | I611-T613 PolarHBondContact O-N 3.42Å; I611-I629 PolarHBondContact N-O 3.1Å; I611-I629 VanDerWaalsContact N-O 3.16Å; I611-I629 PolarHBondContact O-N 3.44Å; I611-W634 HydrophobicContact CD1-CB 4.3Å; I611-P635 HydrophobicContact CD1-CG 4.49Å; I611-Y713 HydrophobicContact CD1-CE2 4.05Å |
| 612 | H | 39.3 | Very low | 43.4 | Very low | 126 Ų | 126 | 93.2 Ų | 93.2 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | trans | -79.5 | 110.7 | 170.1 | -68.7 | -68.4 | 0 | 0 | 0 | 108.8 | G614 | H612-G614 VanDerWaalsContact C-N 3.32Å; H612-G614 PolarHBondContact O-N 3.03Å | ||
| 613 | T | 38 | Very low | 41.7 | Very low | 72 Ų | 72 | 100.3 Ų | 100.3 | 44% | 0.442 | 55% | 0.552 | S | S | . | * | trans | -74.5 | 90.1 | 166.4 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | I611 T615 | I611-T613 PolarHBondContact O-N 3.42Å; T613-T615 PolarHBondContact O-N 2.96Å | ||
| 614 | G | 31.2 | Very low | 39.7 | Very low | 67 Ų | 67 | 108.7 Ų | 108.7 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | trans | -76.5 | 113.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | H612 | H612-G614 VanDerWaalsContact C-N 3.32Å; H612-G614 PolarHBondContact O-N 3.03Å | ||
| 615 | T | 33.4 | Very low | 38 | Very low | 127 Ų | 127 | 111.9 Ų | 111.9 | 78% | 0.779 | 60% | 0.603 | S | S | * | * | trans | -98.5 | 107.1 | 153.4 | 47.7 | 0 | 0 | 0 | 0 | 106.9 | T613 C617 | T613-T615 PolarHBondContact O-N 2.96Å; T615-C617 PolarHBondContact O-N 3.41Å | ||
| 616 | D | 28.4 | Very low | 36.4 | Very low | 163 Ų | 163 | 113.4 Ų | 113.4 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | trans | -65.3 | 93.5 | 173.2 | -74.8 | -35.3 | 0 | 0 | 0 | 109.6 | ||||
| 617 | C | 27.2 | Very low | 35.3 | Very low | 108 Ų | 108 | 117.1 Ų | 117.1 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | trans | -129.1 | 101 | 165.9 | -75.1 | 0 | 0 | 0 | 0 | 107.1 | T615 N619 | T615-C617 PolarHBondContact O-N 3.41Å; C617-N619 PolarHBondContact O-N 2.87Å | ||
| 618 | Q | 27.8 | Very low | 34.3 | Very low | 197 Ų | 197 | 110.7 Ų | 110.7 | 92% | 0.921 | 62% | 0.62 | S | S | * | * | trans | -70.7 | 13.6 | -173.4 | -87.8 | -177.4 | -19.3 | 0 | 0 | 115.4 | ||||
| 619 | N | 29.2 | Very low | 34.2 | Very low | 135 Ų | 135 | 110 Ų | 110 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | trans | -124.4 | 131.7 | -173 | -75.9 | -22.9 | 0 | 0 | 0 | 112.2 | C617 | C617-N619 PolarHBondContact O-N 2.87Š| ||
| 620 | T | 28.2 | Very low | 34.5 | Very low | 138 Ų | 138 | 110.7 Ų | 110.7 | 85% | 0.847 | 62% | 0.617 | S | S | * | * | trans | 80.3 | 132.9 | 165.4 | 66.2 | 0 | 0 | 0 | 0 | 117.3 | D622 | T620-D622 PolarHBondContact O-N 2.99Š| ||
| 621 | I | 29.3 | Very low | 35.4 | Very low | 167 Ų | 167 | 107.5 Ų | 107.5 | 86% | 0.856 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -85.8 | 3.5 | -158.6 | -79.5 | 167.5 | 0 | 0 | 0 | 113.8 | ||
| 622 | D | 27.8 | Very low | 36.6 | Very low | 141 Ų | 141 | 106.3 Ų | 106.3 | 75% | 0.754 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -109.6 | 124.8 | -170.8 | -74.2 | -43.7 | 0 | 0 | 0 | 113.1 | T620 | T620-D622 PolarHBondContact O-N 2.99Š|
| 623 | I | 29.4 | Very low | 38.4 | Very low | 152 Ų | 152 | 100.3 Ų | 100.3 | 78% | 0.779 | 56% | 0.563 | S | S | * | * | trans | 76.4 | 59.2 | 167 | -41.1 | 172.3 | 0 | 0 | 0 | 114.8 | V625 | I623-V625 HydrophobicContact CG2-CG2 4.06Å; I623-V625 PolarHBondContact O-N 3.14Å | ||
| 624 | K | 24.1 | Very low | 39.8 | Very low | 200 Ų | 200 | 100.5 Ų | 100.5 | 87% | 0.87 | 56% | 0.555 | S | S | * | * | trans | -69.3 | 77.4 | 154.3 | -77.3 | -178.5 | 176.9 | 177 | 0 | 110.3 | T626 | K624-T626 VanDerWaalsContact C-N 3.26Å; K624-T626 PolarHBondContact O-N 2.87Å | ||
| 625 | V | 28.9 | Very low | 41.4 | Very low | 106 Ų | 106 | 101.1 Ų | 101.1 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | trans | -90.2 | 80.1 | 152 | -172.2 | 0 | 0 | 0 | 0 | 106 | I623 T627 | I623-V625 HydrophobicContact CG2-CG2 4.06Å; I623-V625 PolarHBondContact O-N 3.14Å; V625-T627 HydrophobicContact CG1-CG2 3.8Å; V625-T627 PolarHBondContact O-N 3.47Å | ||
| 626 | T | 27 | Very low | 42.8 | Very low | 73 Ų | 73 | 99 Ų | 99 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | trans | -61.1 | 97.3 | 153.9 | 26.3 | 0 | 0 | 0 | 0 | 104.7 | K624 S628 | K624-T626 VanDerWaalsContact C-N 3.26Å; K624-T626 PolarHBondContact O-N 2.87Å; T626-S628 PolarHBondContact O-N 2.88Å | ||
| 627 | T | 37.9 | Very low | 44.8 | Very low | 86 Ų | 86 | 92.1 Ų | 92.1 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | trans | -65.3 | 89 | 169.5 | 42.3 | 0 | 0 | 0 | 0 | 106.6 | V625 I629 | V625-T627 HydrophobicContact CG1-CG2 3.8Å; V625-T627 PolarHBondContact O-N 3.47Å; T627-I629 PolarHBondContact O-N 3.49Å | ||
| 628 | S | 41.5 | Very low | 46.8 | Very low | 47 Ų | 47 | 90 Ų | 90 | 33% | 0.329 | 50% | 0.499 | S | S | . | . | trans | -60.8 | 105.7 | 169.7 | 42.1 | 0 | 0 | 0 | 0 | 108 | T626 H630 | T626-S628 PolarHBondContact O-N 2.88Å; S628-H630 PolarHBondContact O-N 3.11Å | ||
| 629 | I | 49.8 | Very low | 49.1 | Very low | 54 Ų | 54 | 85.8 Ų | 85.8 | 28% | 0.277 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.9 | 171.3 | -58 | 170.5 | 0 | 0 | 0 | 106.2 | I611 T627 T631 N709 | I611-I629 PolarHBondContact N-O 3.1Å; I611-I629 VanDerWaalsContact N-O 3.16Å; I611-I629 PolarHBondContact O-N 3.44Å; T627-I629 PolarHBondContact O-N 3.49Å; I629-T631 HydrophobicContact CG2-CG2 3.62Å; I629-N709 HydrophobicContact CG2-CB 4Å |
| 630 | H | 56.7 | Low | 50.8 | Low | 62 Ų | 62 | 83.9 Ų | 83.9 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 117 | 175.8 | -75.4 | -50.6 | 0 | 0 | 0 | 108.9 | I608 T609 S628 Y706 N709 | I608-H630 HydrophobicContact CG2-CB 3.24Å; I608-H630 WeakPolarHBondContact CG2-ND1 3.5Å; T609-H630 WeakPolarHBondContact O-CA 3.47Å; S628-H630 PolarHBondContact O-N 3.11Å; H630-Y706 HydrophobicContact CB-CD1 3.72Å; H630-Y706 HydrophobicContact CB-CE1 3.38Å; H630-Y706 VanDerWaalsContact O-CD1 3.23Å; H630-Y706 WeakPolarHBondContact O-CD1 3.38Å; H630-N709 PolarHBondContact O-ND2 3.23Å; H630-N709 VanDerWaalsContact O-ND2 3.16Å |
| 631 | T | 63.9 | Low | 52.7 | Low | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 164.8 | -179.7 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | T609 I629 F633 N709 Y713 | T609-T631 PolarHBondContact N-O 2.94Å; T609-T631 PolarHBondContact O-N 3.45Å; T609-T631 PolarHBondContact OG1-O 2.99Å; T609-T631 PolarHBondContact OG1-OG1 2.65Å; I629-T631 HydrophobicContact CG2-CG2 3.62Å; T631-F633 WeakPolarHBondContact CB-O 3.33Å; T631-F633 PolarHBondContact OG1-O 2.99Å; T631-N709 HydrophobicContact CG2-CB 3.48Å; T631-N709 VanDerWaalsContact CG2-CB 3.48Å; T631-Y713 HydrophobicContact CG2-CD2 4.39Å; T631-Y713 HydrophobicContact CG2-CE2 3.79Å |
| 632 | Y | 69.8 | Low | 55 | Low | 11 Ų | 11 | 73.2 Ų | 73.2 | 4% | 0.043 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -88.9 | -18.1 | 165 | -63.1 | -44.3 | 0 | 0 | 0 | 114 | C606 I649 L703 Y706 L707 | C606-Y632 HydrophobicContact CB-CD1 4.26Å; C606-Y632 HydrophobicContact CB-CE1 3.58Å; C606-Y632 WeakPolarHBondContact O-CE1 3.24Å; Y632-I649 HydrophobicContact CD2-CD1 4.03Å; Y632-I649 HydrophobicContact CE2-CD1 4.38Å; Y632-L703 HydrophobicContact CE2-CD1 3.38Å; Y632-L703 WeakPolarHBondContact OH-CD1 3.49Å; Y632-Y706 HydrophobicContact CE1-CD2 4.37Å; Y632-L707 HydrophobicContact CD2-CD2 4.09Å; Y632-L707 HydrophobicContact CD2-CG 4.5Å; Y632-L707 HydrophobicContact CE2-CD2 4.37Å; Y632-L707 HydrophobicContact CE2-CG 4.41Å |
| 633 | F | 76.3 | Confident | 57.5 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -114.3 | 138.6 | -175.7 | -51 | -88.1 | 0 | 0 | 0 | 108.9 | T631 M637 A642 L645 L646 L707 Y713 V714 I722 | T631-F633 WeakPolarHBondContact CB-O 3.33Å; T631-F633 PolarHBondContact OG1-O 2.99Å; F633-M637 HydrophobicContact CB-SD 4.19Å; F633-M637 HydrophobicContact CD1-CE 4.28Å; F633-M637 HydrophobicContact CD1-SD 3.63Å; F633-M637 HydrophobicContact CG-SD 4.35Å; F633-A642 HydrophobicContact CD1-CB 4Å; F633-A642 HydrophobicContact CE1-CB 4.06Å; F633-L645 HydrophobicContact CD1-CD2 4.45Å; F633-L645 HydrophobicContact CE1-CD2 4.04Å; F633-L645 HydrophobicContact CZ-CD2 4.37Å; F633-L646 HydrophobicContact CE1-CD2 4.46Å; F633-L646 HydrophobicContact CE1-CG 4.12Å; F633-L646 HydrophobicContact CE2-CD2 4.49Å; F633-L646 HydrophobicContact CZ-CD1 4.42Å; F633-L646 HydrophobicContact CZ-CD2 3.67Å; F633-L646 HydrophobicContact CZ-CG 3.82Å; F633-L707 HydrophobicContact CE2-CD2 4.41Å; F633-Y713 HydrophobicContact CB-CD2 4.33Å; F633-Y713 WeakPolarHBondContact O-CD2 3.46Å; F633-V714 HydrophobicContact CB-CG1 4.4Å; F633-V714 HydrophobicContact CD1-CG1 3.74Å; F633-V714 HydrophobicContact CE1-CG1 4.2Å; F633-V714 HydrophobicContact CG-CG1 4.03Å; F633-I722 HydrophobicContact CE2-CD1 4.12Å; F633-I722 HydrophobicContact CZ-CD1 4.34Å | ||
| 634 | W | 67.9 | Low | 59.5 | Low | 76 Ų | 76 | 63.5 Ų | 63.5 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | trans | -121.5 | 158.1 | 177.3 | 61 | 90.8 | 0 | 0 | 0 | 111.6 | T609 I611 G636 M637 | T609-W634 HydrophobicContact CG2-CE3 4.18Å; I611-W634 HydrophobicContact CD1-CB 4.3Å; W634-G636 PolarHBondContact O-N 3.3Å; W634-M637 HydrophobicContact CD2-CB 4.32Å; W634-M637 HydrophobicContact CE3-SD 4.4Å; W634-M637 HydrophobicContact CH2-CE 4.06Å; W634-M637 HydrophobicContact CH2-CG 4.25Å; W634-M637 HydrophobicContact CH2-SD 4.17Å; W634-M637 HydrophobicContact CZ2-CB 4.3Å; W634-M637 HydrophobicContact CZ2-CG 4Å; W634-M637 HydrophobicContact CZ2-SD 4.46Å; W634-M637 HydrophobicContact CZ3-CE 4.28Å; W634-M637 HydrophobicContact CZ3-SD 4.15Å; W634-M637 VanDerWaalsContact O-CB 3.31Å; W634-M637 WeakPolarHBondContact O-CB 3.33Å; W634-M637 PolarHBondContact O-N 2.97Å; W634-M637 VanDerWaalsContact O-N 3.12Å | ||
| 635 | P | 64.8 | Low | 61.9 | Low | 81 Ų | 81 | 54.4 Ų | 54.4 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 129.5 | 174.3 | -23.6 | 30.1 | 0 | 0 | 0 | 112.2 | I611 Y713 | I611-P635 HydrophobicContact CD1-CG 4.49Å; P635-Y713 HydrophobicContact CB-CD1 4.43Å; P635-Y713 HydrophobicContact CG-CD1 3.8Å; P635-Y713 HydrophobicContact CG-CE1 3.57Å |
| 636 | G | 63.1 | Low | 64.3 | Low | 82 Ų | 82 | 49.4 Ų | 49.4 | 85% | 0.845 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 0.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W634 S638 | W634-G636 PolarHBondContact O-N 3.3Å; G636-S638 PolarHBondContact O-N 2.88Å |
| 637 | M | 71 | Confident | 66.5 | Low | 19 Ų | 19 | 47.6 Ų | 47.6 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | trans | -57.8 | 128.3 | 168.6 | -171.1 | -179.7 | -170.9 | 0 | 0 | 110 | F633 W634 R641 A642 L645 | F633-M637 HydrophobicContact CB-SD 4.19Å; F633-M637 HydrophobicContact CD1-CE 4.28Å; F633-M637 HydrophobicContact CD1-SD 3.63Å; F633-M637 HydrophobicContact CG-SD 4.35Å; W634-M637 HydrophobicContact CD2-CB 4.32Å; W634-M637 HydrophobicContact CE3-SD 4.4Å; W634-M637 HydrophobicContact CH2-CE 4.06Å; W634-M637 HydrophobicContact CH2-CG 4.25Å; W634-M637 HydrophobicContact CH2-SD 4.17Å; W634-M637 HydrophobicContact CZ2-CB 4.3Å; W634-M637 HydrophobicContact CZ2-CG 4Å; W634-M637 HydrophobicContact CZ2-SD 4.46Å; W634-M637 HydrophobicContact CZ3-CE 4.28Å; W634-M637 HydrophobicContact CZ3-SD 4.15Å; W634-M637 VanDerWaalsContact O-CB 3.31Å; W634-M637 WeakPolarHBondContact O-CB 3.33Å; W634-M637 PolarHBondContact O-N 2.97Å; W634-M637 VanDerWaalsContact O-N 3.12Å; M637-R641 HydrophobicContact CE-CB 3.89Å; M637-R641 HydrophobicContact CE-CG 3.55Å; M637-R641 HydrophobicContact CG-CB 4.19Å; M637-A642 HydrophobicContact CE-CB 4.3Å; M637-A642 HydrophobicContact CG-CB 4.46Å; M637-A642 HydrophobicContact SD-CB 4.05Å; M637-L645 HydrophobicContact CE-CB 4.4Å; M637-L645 HydrophobicContact CE-CD2 4Å | ||
| 638 | S | 69.3 | Low | 68 | Low | 62 Ų | 62 | 43.9 Ų | 43.9 | 43% | 0.434 | 24% | 0.237 | S | C | . | . | trans | -65.1 | 143.4 | 179.9 | 72 | 0 | 0 | 0 | 0 | 111 | G636 Q640 R641 A642 | G636-S638 PolarHBondContact O-N 2.88Å; S638-Q640 PolarHBondContact O-N 3.36Å; S638-R641 PolarHBondContact O-N 2.9Å; S638-R641 PolarHBondContact OG-N 2.97Å; S638-A642 PolarHBondContact O-N 3.36Å | ||
| 639 | Y | 75.7 | Confident | 69.7 | Low | 109 Ų | 109 | 41.9 Ų | 41.9 | 43% | 0.427 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -48.5 | -38.4 | 176.2 | 173 | -89.6 | 0 | 0 | 0 | 112.2 | A642 K643 S715 L718 | Y639-A642 PolarHBondContact O-N 2.9Å; Y639-K643 HydrophobicContact CE1-CD 4.11Å; Y639-K643 WeakPolarHBondContact O-CB 3.27Å; Y639-K643 PolarHBondContact O-N 3.22Å; Y639-S715 WeakPolarHBondContact CE2-OG 3.39Å; Y639-L718 HydrophobicContact CD2-CD1 3.59Å; Y639-L718 HydrophobicContact CD2-CG 4.08Å; Y639-L718 HydrophobicContact CE2-CD1 3.66Å; Y639-L718 HydrophobicContact CE2-CD2 3.98Å; Y639-L718 HydrophobicContact CE2-CG 3.62Å; Y639-L718 HydrophobicContact CG-CD1 4.37Å |
| 640 | Q | 65.5 | Low | 70.8 | Confident | 96 Ų | 96 | 42 Ų | 42 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -42 | -178.3 | -62.1 | 168.1 | 1.4 | 0 | 0 | 112.5 | R516 S638 L644 | R516-Q640 VanDerWaalsContact NH2-CD 3.28Å; R516-Q640 VanDerWaalsContact NH2-OE1 3.09Å; S638-Q640 PolarHBondContact O-N 3.36Å; Q640-L644 PolarHBondContact O-N 2.96Å; Q640-L644 VanDerWaalsContact O-N 3.12Å |
| 641 | R | 68.1 | Low | 71.2 | Confident | 78 Ų | 78 | 40 Ų | 40 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.7 | -41.2 | 177.4 | -164.7 | -178.8 | 176.1 | 171.6 | -7.3 | 110.8 | N509 M637 S638 K643 L644 L645 | N509-R641 PolarHBondContact OD1-NH1 3.42Å; M637-R641 HydrophobicContact CE-CB 3.89Å; M637-R641 HydrophobicContact CE-CG 3.55Å; M637-R641 HydrophobicContact CG-CB 4.19Å; S638-R641 PolarHBondContact O-N 2.9Å; S638-R641 PolarHBondContact OG-N 2.97Å; R641-K643 VanDerWaalsContact C-N 3.33Å; R641-K643 PolarHBondContact O-N 3.33Å; R641-L644 PolarHBondContact O-N 2.73Å; R641-L645 PolarHBondContact O-N 3.43Å |
| 642 | A | 76.7 | Confident | 71.4 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F633 M637 S638 Y639 L645 L646 V714 L718 | F633-A642 HydrophobicContact CD1-CB 4Å; F633-A642 HydrophobicContact CE1-CB 4.06Å; M637-A642 HydrophobicContact CE-CB 4.3Å; M637-A642 HydrophobicContact CG-CB 4.46Å; M637-A642 HydrophobicContact SD-CB 4.05Å; S638-A642 PolarHBondContact O-N 3.36Å; Y639-A642 PolarHBondContact O-N 2.9Å; A642-L645 PolarHBondContact O-N 3.36Å; A642-L646 WeakPolarHBondContact O-CG 3.18Å; A642-L646 PolarHBondContact O-N 2.88Å; A642-V714 HydrophobicContact CB-CG1 4.01Å; A642-L718 HydrophobicContact CB-CD1 3.88Å |
| 643 | K | 79.5 | Confident | 71.5 | Confident | 86 Ų | 86 | 39.9 Ų | 39.9 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.9 | -174.5 | 169.1 | -176.3 | 169.1 | 0 | 112.8 | Y639 R641 L645 L646 D647 L718 | Y639-K643 HydrophobicContact CE1-CD 4.11Å; Y639-K643 WeakPolarHBondContact O-CB 3.27Å; Y639-K643 PolarHBondContact O-N 3.22Å; R641-K643 VanDerWaalsContact C-N 3.33Å; R641-K643 PolarHBondContact O-N 3.33Å; K643-L645 VanDerWaalsContact C-N 3.34Å; K643-L645 PolarHBondContact O-N 3.21Å; K643-L646 PolarHBondContact O-N 3.43Å; K643-D647 VanDerWaalsContact O-CG 3.29Å; K643-D647 PolarHBondContact O-N 3.49Å; K643-L718 HydrophobicContact CB-CD2 4.13Å; K643-L718 HydrophobicContact CG-CD2 4.32Å |
| 644 | L | 71.7 | Confident | 70.9 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 177.7 | 179.5 | 63.2 | 0 | 0 | 0 | 111.9 | F519 Q520 Q640 R641 L646 D647 I648 | F519-L644 HydrophobicContact CD1-CD1 3.96Å; F519-L644 HydrophobicContact CE1-CD1 4.07Å; Q520-L644 HydrophobicContact CG-CD1 3.56Å; Q640-L644 PolarHBondContact O-N 2.96Å; Q640-L644 VanDerWaalsContact O-N 3.12Å; R641-L644 PolarHBondContact O-N 2.73Å; L644-L646 VanDerWaalsContact C-N 3.34Å; L644-L646 PolarHBondContact O-N 3.35Å; L644-D647 PolarHBondContact O-N 2.94Å; L644-I648 HydrophobicContact CD1-CD1 4.26Å; L644-I648 HydrophobicContact CG-CD1 4.03Å; L644-I648 VanDerWaalsContact O-CG1 3.29Å; L644-I648 WeakPolarHBondContact O-CG1 3.28Å; L644-I648 PolarHBondContact O-N 3.19Å |
| 645 | L | 75.8 | Confident | 70.5 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.4 | -176 | 61.4 | 0 | 0 | 0 | 111.8 | F633 M637 R641 A642 K643 I648 I649 | F633-L645 HydrophobicContact CD1-CD2 4.45Å; F633-L645 HydrophobicContact CE1-CD2 4.04Å; F633-L645 HydrophobicContact CZ-CD2 4.37Å; M637-L645 HydrophobicContact CE-CB 4.4Å; M637-L645 HydrophobicContact CE-CD2 4Å; R641-L645 PolarHBondContact O-N 3.43Å; A642-L645 PolarHBondContact O-N 3.36Å; K643-L645 VanDerWaalsContact C-N 3.34Å; K643-L645 PolarHBondContact O-N 3.21Å; L645-I648 PolarHBondContact O-N 3.34Å; L645-I649 HydrophobicContact CD1-CD1 4.27Å; L645-I649 HydrophobicContact CG-CD1 3.96Å; L645-I649 WeakPolarHBondContact O-CB 3.27Å; L645-I649 VanDerWaalsContact O-CG1 3.25Å; L645-I649 WeakPolarHBondContact O-CG1 3.5Å; L645-I649 PolarHBondContact O-N 2.81Å |
| 646 | L | 79.1 | Confident | 70.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.6 | -75.8 | 168.9 | 0 | 0 | 0 | 112.5 | F633 A642 K643 L644 I648 I649 E650 L718 I722 I725 | F633-L646 HydrophobicContact CE1-CD2 4.46Å; F633-L646 HydrophobicContact CE1-CG 4.12Å; F633-L646 HydrophobicContact CE2-CD2 4.49Å; F633-L646 HydrophobicContact CZ-CD1 4.42Å; F633-L646 HydrophobicContact CZ-CD2 3.67Å; F633-L646 HydrophobicContact CZ-CG 3.82Å; A642-L646 WeakPolarHBondContact O-CG 3.18Å; A642-L646 PolarHBondContact O-N 2.88Å; K643-L646 PolarHBondContact O-N 3.43Å; L644-L646 VanDerWaalsContact C-N 3.34Å; L644-L646 PolarHBondContact O-N 3.35Å; L646-I648 VanDerWaalsContact C-N 3.29Å; L646-I648 PolarHBondContact O-N 3.19Å; L646-I649 PolarHBondContact O-N 3.42Å; L646-E650 WeakPolarHBondContact O-CB 3.26Å; L646-E650 PolarHBondContact O-N 3.35Å; L646-L718 HydrophobicContact CD1-CB 3.96Å; L646-L718 HydrophobicContact CD1-CD2 4.02Å; L646-L718 HydrophobicContact CD1-CG 4.38Å; L646-I722 HydrophobicContact CD1-CD1 4.4Å; L646-I722 HydrophobicContact CD1-CG1 4.04Å; L646-I722 HydrophobicContact CD2-CD1 4.08Å; L646-I722 HydrophobicContact CD2-CG1 3.29Å; L646-I722 HydrophobicContact CG-CG1 4.31Å; L646-I725 HydrophobicContact CD2-CD1 4.1Å |
| 647 | D | 72.3 | Confident | 70.1 | Confident | 35 Ų | 35 | 32 Ų | 32 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 178.2 | -65.1 | -22.2 | 0 | 0 | 0 | 111.4 | Q520 K643 L644 T651 Q721 | Q520-D647 PolarHBondContact NE2-OD2 3.33Å; K643-D647 VanDerWaalsContact O-CG 3.29Å; K643-D647 PolarHBondContact O-N 3.49Å; L644-D647 PolarHBondContact O-N 2.94Å; D647-T651 WeakPolarHBondContact O-CB 3.45Å; D647-T651 PolarHBondContact O-N 3.45Å; D647-T651 PolarHBondContact O-OG1 2.91Å; D647-Q721 PolarHBondContact OD1-NE2 3.14Å |
| 648 | I | 70.4 | Confident | 69.3 | Low | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.4 | -46.9 | 173.2 | -68.6 | 166.7 | 0 | 0 | 0 | 110.9 | F519 F523 L644 L645 L646 T651 A652 | F519-I648 HydrophobicContact CE1-CD1 4.26Å; F523-I648 HydrophobicContact CD1-CG1 4.4Å; F523-I648 HydrophobicContact CE1-CB 4.42Å; F523-I648 HydrophobicContact CE1-CG1 4.27Å; F523-I648 HydrophobicContact CE1-CG2 3.95Å; F523-I648 HydrophobicContact CZ-CG2 4.01Å; L644-I648 HydrophobicContact CD1-CD1 4.26Å; L644-I648 HydrophobicContact CG-CD1 4.03Å; L644-I648 VanDerWaalsContact O-CG1 3.29Å; L644-I648 WeakPolarHBondContact O-CG1 3.28Å; L644-I648 PolarHBondContact O-N 3.19Å; L645-I648 PolarHBondContact O-N 3.34Å; L646-I648 VanDerWaalsContact C-N 3.29Å; L646-I648 PolarHBondContact O-N 3.19Å; I648-T651 PolarHBondContact O-N 3.46Å; I648-A652 VanDerWaalsContact O-CB 3.31Å; I648-A652 WeakPolarHBondContact O-CB 3.31Å; I648-A652 PolarHBondContact O-N 3.07Å |
| 649 | I | 75.7 | Confident | 68.4 | Low | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 178.1 | -70.7 | 167.9 | 0 | 0 | 0 | 110.6 | Y632 L645 L646 T651 A652 L653 L707 | Y632-I649 HydrophobicContact CD2-CD1 4.03Å; Y632-I649 HydrophobicContact CE2-CD1 4.38Å; L645-I649 HydrophobicContact CD1-CD1 4.27Å; L645-I649 HydrophobicContact CG-CD1 3.96Å; L645-I649 WeakPolarHBondContact O-CB 3.27Å; L645-I649 VanDerWaalsContact O-CG1 3.25Å; L645-I649 WeakPolarHBondContact O-CG1 3.5Å; L645-I649 PolarHBondContact O-N 2.81Å; L646-I649 PolarHBondContact O-N 3.42Å; I649-T651 VanDerWaalsContact C-N 3.35Å; I649-T651 PolarHBondContact O-N 2.8Å; I649-A652 PolarHBondContact O-N 3.04Å; I649-L653 HydrophobicContact CG2-CD1 3.73Å; I649-L653 HydrophobicContact CG2-CG 4.29Å; I649-L653 WeakPolarHBondContact O-CB 3.19Å; I649-L653 WeakPolarHBondContact O-CG 3.42Å; I649-L653 PolarHBondContact O-N 3.46Å; I649-L707 HydrophobicContact CD1-CD2 4.16Å; I649-L707 HydrophobicContact CG2-CD2 4.48Å |
| 650 | E | 74.6 | Confident | 67.1 | Low | 58 Ų | 58 | 26.6 Ų | 26.6 | 27% | 0.271 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.6 | -173.7 | 175.8 | 170.3 | 0 | 0 | 111.2 | L646 G654 Q721 I725 | L646-E650 WeakPolarHBondContact O-CB 3.26Å; L646-E650 PolarHBondContact O-N 3.35Å; E650-G654 PolarHBondContact O-N 3.47Å; E650-Q721 PolarHBondContact OE2-NE2 3.24Å; E650-I725 HydrophobicContact CB-CD1 3.86Å; E650-I725 HydrophobicContact CB-CG1 4.02Å; E650-I725 HydrophobicContact CG-CD1 4.44Å; E650-I725 HydrophobicContact CG-CG1 4.08Å |
| 651 | T | 65.2 | Low | 66.1 | Low | 19 Ų | 19 | 28.1 Ų | 28.1 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.3 | -59 | 0 | 0 | 0 | 0 | 111.4 | F523 F524 D647 I648 I649 G654 V655 W671 | F523-T651 HydrophobicContact CD1-CG2 4.33Å; F523-T651 HydrophobicContact CE1-CG2 4.17Å; F524-T651 HydrophobicContact CD2-CG2 4.38Å; D647-T651 WeakPolarHBondContact O-CB 3.45Å; D647-T651 PolarHBondContact O-N 3.45Å; D647-T651 PolarHBondContact O-OG1 2.91Å; I648-T651 PolarHBondContact O-N 3.46Å; I649-T651 VanDerWaalsContact C-N 3.35Å; I649-T651 PolarHBondContact O-N 2.8Å; T651-G654 PolarHBondContact O-N 3.49Å; T651-V655 VanDerWaalsContact O-CG2 3.29Å; T651-V655 WeakPolarHBondContact O-CG2 3.34Å; T651-V655 PolarHBondContact O-N 3.17Å; T651-W671 HydrophobicContact CG2-CH2 3.84Å; T651-W671 HydrophobicContact CG2-CZ2 4.1Å |
| 652 | A | 67.7 | Low | 64.7 | Low | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I602 I648 I649 G654 V655 L656 W696 | I602-A652 HydrophobicContact CD1-CB 3.86Å; I602-A652 HydrophobicContact CG1-CB 4.45Å; I602-A652 HydrophobicContact CG2-CB 3.93Å; I648-A652 VanDerWaalsContact O-CB 3.31Å; I648-A652 WeakPolarHBondContact O-CB 3.31Å; I648-A652 PolarHBondContact O-N 3.07Å; I649-A652 PolarHBondContact O-N 3.04Å; A652-G654 PolarHBondContact O-N 3.4Å; A652-V655 PolarHBondContact O-N 3.04Å; A652-L656 WeakPolarHBondContact O-CB 3.41Å; A652-L656 VanDerWaalsContact O-CD1 3.28Å; A652-L656 WeakPolarHBondContact O-CD1 3.46Å; A652-L656 WeakPolarHBondContact O-CG 3.2Å; A652-L656 PolarHBondContact O-N 3.32Å; A652-L656 VanDerWaalsContact O-N 3.14Å; A652-W696 HydrophobicContact CB-CH2 4.33Å |
| 653 | L | 70.8 | Confident | 63 | Low | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.9 | -71.7 | 172.2 | 0 | 0 | 0 | 111.9 | I649 V655 L656 N657 L703 I725 H729 W730 | I649-L653 HydrophobicContact CG2-CD1 3.73Å; I649-L653 HydrophobicContact CG2-CG 4.29Å; I649-L653 WeakPolarHBondContact O-CB 3.19Å; I649-L653 WeakPolarHBondContact O-CG 3.42Å; I649-L653 PolarHBondContact O-N 3.46Å; L653-V655 VanDerWaalsContact C-N 3.3Å; L653-V655 PolarHBondContact O-N 2.92Å; L653-L656 PolarHBondContact O-N 2.84Å; L653-N657 VanDerWaalsContact O-CB 3.29Å; L653-N657 WeakPolarHBondContact O-CB 3.44Å; L653-N657 PolarHBondContact O-N 3.23Å; L653-L703 HydrophobicContact CD2-CD2 3.97Å; L653-I725 HydrophobicContact CD1-CG2 3.46Å; L653-I725 VanDerWaalsContact CD1-CG2 3.46Å; L653-H729 VanDerWaalsContact CB-NE2 3.34Å; L653-H729 WeakPolarHBondContact CB-NE2 3.43Å; L653-W730 HydrophobicContact CD1-CH2 3.86Å; L653-W730 HydrophobicContact CD1-CZ3 3.92Å; L653-W730 HydrophobicContact CD2-CH2 3.96Å |
| 654 | G | 65.1 | Low | 61 | Low | 12 Ų | 12 | 36.3 Ų | 36.3 | 12% | 0.124 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -34 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E650 T651 A652 H729 | E650-G654 PolarHBondContact O-N 3.47Å; T651-G654 PolarHBondContact O-N 3.49Å; A652-G654 PolarHBondContact O-N 3.4Å; G654-H729 PolarHBondContact N-NE2 3.49Å |
| 655 | V | 59 | Low | 59.5 | Low | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.7 | -37.2 | 174.6 | 164.7 | 0 | 0 | 0 | 0 | 112.1 | R531 T651 A652 L653 W671 | R531-V655 HydrophobicContact CB-CG1 4.5Å; T651-V655 VanDerWaalsContact O-CG2 3.29Å; T651-V655 WeakPolarHBondContact O-CG2 3.34Å; T651-V655 PolarHBondContact O-N 3.17Å; A652-V655 PolarHBondContact O-N 3.04Å; L653-V655 VanDerWaalsContact C-N 3.3Å; L653-V655 PolarHBondContact O-N 2.92Å; V655-W671 HydrophobicContact CG2-CE3 4.13Å; V655-W671 HydrophobicContact CG2-CH2 4.04Å; V655-W671 HydrophobicContact CG2-CZ3 3.78Å |
| 656 | L | 60.8 | Low | 57.9 | Low | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -99.8 | -25.3 | -166.8 | -58.7 | 166.1 | 0 | 0 | 0 | 114.3 | I599 A652 L653 L658 I687 W696 Y698 | I599-L656 HydrophobicContact CD1-CD2 4.39Å; I599-L656 HydrophobicContact CG1-CD2 4.48Å; A652-L656 WeakPolarHBondContact O-CB 3.41Å; A652-L656 VanDerWaalsContact O-CD1 3.28Å; A652-L656 WeakPolarHBondContact O-CD1 3.46Å; A652-L656 WeakPolarHBondContact O-CG 3.2Å; A652-L656 PolarHBondContact O-N 3.32Å; A652-L656 VanDerWaalsContact O-N 3.14Å; L653-L656 PolarHBondContact O-N 2.84Å; L656-L658 PolarHBondContact O-N 3.32Å; L656-I687 HydrophobicContact CB-CG2 4.39Å; L656-I687 HydrophobicContact CD2-CB 4.39Å; L656-I687 HydrophobicContact CD2-CD1 3.59Å; L656-I687 HydrophobicContact CD2-CG1 3.83Å; L656-I687 HydrophobicContact CD2-CG2 3.61Å; L656-I687 HydrophobicContact CG-CG2 4.47Å; L656-W696 HydrophobicContact CD1-CE3 4.45Å; L656-W696 HydrophobicContact CD1-CH2 3.19Å; L656-W696 HydrophobicContact CD1-CZ2 4.41Å; L656-W696 HydrophobicContact CD1-CZ3 3.21Å; L656-Y698 HydrophobicContact CB-CD2 4.35Å; L656-Y698 HydrophobicContact CB-CE2 3.97Å |
| 657 | N | 57.7 | Low | 56.2 | Low | 52 Ų | 52 | 54.8 Ų | 54.8 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | trans | -84.8 | 66.2 | -178.9 | -148.5 | 11 | 0 | 0 | 0 | 111.2 | L653 T659 H729 | L653-N657 VanDerWaalsContact O-CB 3.29Å; L653-N657 WeakPolarHBondContact O-CB 3.44Å; L653-N657 PolarHBondContact O-N 3.23Å; N657-T659 PolarHBondContact O-N 2.85Å; N657-H729 WeakPolarHBondContact ND2-CA 3.24Å; N657-H729 WeakPolarHBondContact ND2-CB 3.5Å; N657-H729 PolarHBondContact ND2-O 2.67Å; N657-H729 VanDerWaalsContact ND2-O 3.07Å | ||
| 658 | L | 54.7 | Low | 54.8 | Low | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -82.3 | 87.8 | 177.9 | -57.5 | 175 | 0 | 0 | 0 | 109.7 | L656 L680 L683 R684 I687 | L656-L658 PolarHBondContact O-N 3.32Å; L658-L680 HydrophobicContact CB-CD2 4.38Å; L658-L680 HydrophobicContact CD1-CD2 3.92Å; L658-L680 HydrophobicContact CD2-CD2 3.8Å; L658-L680 HydrophobicContact CG-CD2 4.23Å; L658-L683 HydrophobicContact CD1-CB 4.06Å; L658-R684 WeakPolarHBondContact O-CD 3.49Å; L658-I687 HydrophobicContact CD1-CD1 4.43Å | ||
| 659 | T | 51.5 | Low | 53.6 | Low | 34 Ų | 34 | 58.4 Ų | 58.4 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | trans | -78.2 | 129.9 | 165.7 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | N657 N661 R672 | N657-T659 PolarHBondContact O-N 2.85Å; T659-N661 VanDerWaalsContact C-N 3.35Å; T659-R672 PolarHBondContact O-NH2 3.49Å; T659-R672 PolarHBondContact OG1-NH2 2.92Å | ||
| 660 | P | 47.6 | Very low | 52.3 | Low | 32 Ų | 32 | 65.4 Ų | 65.4 | 21% | 0.208 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -76 | -24.5 | 175.3 | -14.2 | 27.5 | 0 | 0 | 0 | 113 | K677 | P660-K677 HydrophobicContact CB-CG 4.1Š|
| 661 | N | 44 | Very low | 51.1 | Low | 127 Ų | 127 | 63.9 Ų | 63.9 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -122.7 | 2.5 | -170.8 | -64.9 | -19.7 | 0 | 0 | 0 | 113.8 | T659 K677 | T659-N661 VanDerWaalsContact C-N 3.35Å; N661-K677 WeakPolarHBondContact OD1-CE 3.48Å; N661-K677 PolarHBondContact OD1-NZ 2.86Å |
| 662 | G | 39.6 | Very low | 50.2 | Low | 7 Ų | 7 | 66.9 Ų | 66.9 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | trans | -72.2 | 146.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R672 | G662-R672 PolarHBondContact O-NH1 3.14Å; G662-R672 VanDerWaalsContact O-NH1 3.15Å; G662-R672 PolarHBondContact O-NH2 3.23Å | ||
| 663 | P | 40.8 | Very low | 49.2 | Very low | 101 Ų | 101 | 71 Ų | 71 | 66% | 0.656 | 36% | 0.361 | S | S | * | . | trans | -61.6 | 154.9 | -177.5 | -14.5 | 28.4 | 0 | 0 | 0 | 113.1 | N665 E732 | P663-N665 PolarHBondContact O-N 3.48Å; P663-E732 WeakPolarHBondContact CD-OE1 3.46Å | ||
| 664 | W | 37.1 | Very low | 48.3 | Very low | 230 Ų | 230 | 77.1 Ų | 77.1 | 87% | 0.871 | 39% | 0.39 | S | S | * | . | trans | -71.8 | 84.4 | -173.8 | -66.8 | 37.9 | 0 | 0 | 0 | 112.1 | ||||
| 665 | N | 40.4 | Very low | 47.8 | Very low | 75 Ų | 75 | 78 Ų | 78 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | trans | -79.7 | 123.2 | 167.2 | -109.6 | -10.9 | 0 | 0 | 0 | 109.9 | P663 K667 S668 S669 | P663-N665 PolarHBondContact O-N 3.48Å; N665-K667 PolarHBondContact O-N 2.92Å; N665-S668 PolarHBondContact O-N 3.45Å; N665-S668 VanDerWaalsContact O-N 3.11Å; N665-S668 PolarHBondContact O-OG 3Å; N665-S668 VanDerWaalsContact O-OG 3.06Å; N665-S669 PolarHBondContact O-N 3.36Å | ||
| 666 | K | 42.4 | Very low | 47.9 | Very low | 193 Ų | 193 | 79.5 Ų | 79.5 | 84% | 0.839 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.6 | -174.2 | -80.4 | -175.8 | 175.9 | -179.4 | 0 | 115.6 | S669 | K666-S669 WeakPolarHBondContact CA-OG 3.33Å; K666-S669 PolarHBondContact O-OG 3.33Å |
| 667 | K | 42.5 | Very low | 47.8 | Very low | 134 Ų | 134 | 84.9 Ų | 84.9 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -43.6 | 173.8 | -80.5 | -172.3 | 175.2 | -175.4 | 0 | 112.3 | N665 S669 K670 | N665-K667 PolarHBondContact O-N 2.92Å; K667-S669 PolarHBondContact O-N 3.3Å; K667-K670 WeakPolarHBondContact O-CB 3.44Å; K667-K670 PolarHBondContact O-N 2.99Å |
| 668 | S | 43 | Very low | 48.1 | Very low | 63 Ų | 63 | 88.5 Ų | 88.5 | 44% | 0.441 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.5 | 171.7 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | N665 K670 W671 R672 | N665-S668 PolarHBondContact O-N 3.45Å; N665-S668 VanDerWaalsContact O-N 3.11Å; N665-S668 PolarHBondContact O-OG 3Å; N665-S668 VanDerWaalsContact O-OG 3.06Å; S668-K670 PolarHBondContact O-N 3.48Å; S668-W671 PolarHBondContact O-N 3.27Å; S668-R672 PolarHBondContact O-N 3.39Å |
| 669 | S | 45 | Very low | 48.5 | Very low | 56 Ų | 56 | 89.4 Ų | 89.4 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -23.3 | 170.2 | 68.4 | 0 | 0 | 0 | 0 | 113.6 | N665 K666 K667 W671 R672 | N665-S669 PolarHBondContact O-N 3.36Å; K666-S669 WeakPolarHBondContact CA-OG 3.33Å; K666-S669 PolarHBondContact O-OG 3.33Å; K667-S669 PolarHBondContact O-N 3.3Å; S669-W671 PolarHBondContact O-N 3.04Å; S669-R672 PolarHBondContact O-N 3Å |
| 670 | K | 48.4 | Very low | 49.1 | Very low | 151 Ų | 151 | 88.3 Ų | 88.3 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -57.4 | -32.1 | 170.4 | -81.5 | -171.4 | 173.3 | -175.5 | 0 | 111.8 | K667 S668 | K667-K670 WeakPolarHBondContact O-CB 3.44Å; K667-K670 PolarHBondContact O-N 2.99Å; S668-K670 PolarHBondContact O-N 3.48Å |
| 671 | W | 49.2 | Very low | 49.9 | Very low | 27 Ų | 27 | 89 Ų | 89 | 10% | 0.102 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -92.7 | -24 | -175.6 | -59.3 | 111.2 | 0 | 0 | 0 | 112.4 | F524 E528 R531 T651 V655 S668 S669 | F524-W671 AromaticContact CD2-CH2 3.43Å; F524-W671 HydrophobicContact CD2-CH2 3.43Å; F524-W671 VanDerWaalsContact CD2-CH2 3.43Å; F524-W671 AromaticContact CD2-CZ2 3.83Å; F524-W671 HydrophobicContact CD2-CZ2 3.83Å; F524-W671 HydrophobicContact CD2-CZ3 4.42Å; F524-W671 AromaticContact CE2-CH2 3.08Å; F524-W671 HydrophobicContact CE2-CH2 3.08Å; F524-W671 AromaticContact CE2-CZ2 3.3Å; F524-W671 HydrophobicContact CE2-CZ2 3.3Å; F524-W671 AromaticContact CE2-CZ3 3.88Å; F524-W671 HydrophobicContact CE2-CZ3 3.88Å; F524-W671 HydrophobicContact CG-CH2 4.36Å; F524-W671 AromaticContact CZ-CH2 3.76Å; F524-W671 HydrophobicContact CZ-CH2 3.76Å; F524-W671 HydrophobicContact CZ-CZ2 4.19Å; F524-W671 HydrophobicContact CZ-CZ3 4.11Å; E528-W671 HydrophobicContact CB-CZ3 4.25Å; R531-W671 PolarHBondContact NH1-O 2.94Å; R531-W671 PolarHBondContact NH2-O 3.46Å; T651-W671 HydrophobicContact CG2-CH2 3.84Å; T651-W671 HydrophobicContact CG2-CZ2 4.1Å; V655-W671 HydrophobicContact CG2-CE3 4.13Å; V655-W671 HydrophobicContact CG2-CH2 4.04Å; V655-W671 HydrophobicContact CG2-CZ3 3.78Å; S668-W671 PolarHBondContact O-N 3.27Å; S669-W671 PolarHBondContact O-N 3.04Å |
| 672 | R | 46.3 | Very low | 51 | Low | 81 Ų | 81 | 85.5 Ų | 85.5 | 31% | 0.306 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -82 | -12.9 | -174.8 | -102.3 | -166.5 | -169.7 | 160.4 | 9.7 | 116.2 | T659 G662 S668 S669 E674 | T659-R672 PolarHBondContact O-NH2 3.49Å; T659-R672 PolarHBondContact OG1-NH2 2.92Å; G662-R672 PolarHBondContact O-NH1 3.14Å; G662-R672 VanDerWaalsContact O-NH1 3.15Å; G662-R672 PolarHBondContact O-NH2 3.23Å; S668-R672 PolarHBondContact O-N 3.39Å; S669-R672 PolarHBondContact O-N 3Å; R672-E674 PolarHBondContact O-N 3.48Å |
| 673 | S | 48.1 | Very low | 52.3 | Low | 89 Ų | 89 | 85.2 Ų | 85.2 | 62% | 0.622 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -7.7 | -151.2 | 50.8 | 0 | 0 | 0 | 0 | 118.7 | ||
| 674 | E | 50.9 | Low | 53.7 | Low | 134 Ų | 134 | 84.1 Ų | 84.1 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.1 | 12.1 | -172.5 | -60.7 | -172.1 | 172.3 | 0 | 0 | 116.6 | K535 R672 | K535-E674 PolarHBondContact NZ-O 3.23Å; R672-E674 PolarHBondContact O-N 3.48Å |
| 675 | F | 55.6 | Low | 55.3 | Low | 31 Ų | 31 | 75.7 Ų | 75.7 | 14% | 0.136 | 39% | 0.39 | C | S | . | . | trans | -109.4 | 137.2 | -171.3 | -58.4 | -88.5 | 0 | 0 | 0 | 115.1 | R531 I532 K535 L680 | R531-F675 HydrophobicContact CG-CZ 4.45Å; I532-F675 HydrophobicContact CB-CZ 4.5Å; I532-F675 HydrophobicContact CG1-CZ 3.84Å; K535-F675 HydrophobicContact CB-CD1 4.06Å; K535-F675 HydrophobicContact CB-CE1 3.94Å; K535-F675 HydrophobicContact CD-CD1 3.51Å; K535-F675 HydrophobicContact CD-CE1 3.79Å; K535-F675 HydrophobicContact CG-CD1 3.69Å; K535-F675 HydrophobicContact CG-CE1 4.05Å; F675-L680 HydrophobicContact CB-CD1 4.03Å; F675-L680 HydrophobicContact CB-CD2 3.7Å; F675-L680 HydrophobicContact CB-CG 3.65Å; F675-L680 HydrophobicContact CD2-CD2 4.41Å; F675-L680 HydrophobicContact CG-CD2 4.02Å; F675-L680 HydrophobicContact CG-CG 4.48Å | ||
| 676 | G | 59.9 | Low | 56.7 | Low | 38 Ų | 38 | 72.5 Ų | 72.5 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -73.1 | 154.4 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | D678 S679 L680 | G676-D678 PolarHBondContact O-N 2.97Å; G676-S679 PolarHBondContact O-N 3.24Å; G676-L680 PolarHBondContact O-N 3.03Å | ||
| 677 | K | 60.3 | Low | 58.2 | Low | 117 Ų | 117 | 63.4 Ų | 63.4 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | -174.7 | -163.2 | 177.8 | -173.9 | 173.3 | 0 | 113 | P660 N661 L680 C681 | P660-K677 HydrophobicContact CB-CG 4.1Å; N661-K677 WeakPolarHBondContact OD1-CE 3.48Å; N661-K677 PolarHBondContact OD1-NZ 2.86Å; K677-L680 PolarHBondContact O-N 3.12Å; K677-C681 PolarHBondContact O-N 3.17Å; K677-C681 VanDerWaalsContact O-N 3.13Å |
| 678 | D | 62.9 | Low | 59.5 | Low | 128 Ų | 128 | 58.6 Ų | 58.6 | 68% | 0.684 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.6 | -41.1 | -178 | -60.3 | -29.1 | 0 | 0 | 0 | 112.2 | G676 L680 C681 N682 | G676-D678 PolarHBondContact O-N 2.97Å; D678-L680 VanDerWaalsContact C-N 3.32Å; D678-L680 PolarHBondContact O-N 3.45Å; D678-C681 PolarHBondContact O-N 3.45Å; D678-N682 PolarHBondContact O-N 2.73Å |
| 679 | S | 63.1 | Low | 60.8 | Low | 29 Ų | 29 | 58.3 Ų | 58.3 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.1 | -60.7 | 0 | 0 | 0 | 0 | 112 | K535 G676 N682 L683 | K535-S679 WeakPolarHBondContact O-CB 3.47Å; K535-S679 PolarHBondContact O-OG 2.91Å; K535-S679 VanDerWaalsContact O-OG 3.07Å; G676-S679 PolarHBondContact O-N 3.24Å; S679-N682 PolarHBondContact O-N 2.95Å; S679-L683 WeakPolarHBondContact O-CB 3.41Å; S679-L683 PolarHBondContact O-N 3.16Å |
| 680 | L | 63.5 | Low | 62 | Low | 12 Ų | 12 | 55.6 Ų | 55.6 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.7 | -72.6 | 173.1 | 0 | 0 | 0 | 112.2 | L658 F675 G676 K677 D678 R684 | L658-L680 HydrophobicContact CB-CD2 4.38Å; L658-L680 HydrophobicContact CD1-CD2 3.92Å; L658-L680 HydrophobicContact CD2-CD2 3.8Å; L658-L680 HydrophobicContact CG-CD2 4.23Å; F675-L680 HydrophobicContact CB-CD1 4.03Å; F675-L680 HydrophobicContact CB-CD2 3.7Å; F675-L680 HydrophobicContact CB-CG 3.65Å; F675-L680 HydrophobicContact CD2-CD2 4.41Å; F675-L680 HydrophobicContact CG-CD2 4.02Å; F675-L680 HydrophobicContact CG-CG 4.48Å; G676-L680 PolarHBondContact O-N 3.03Å; K677-L680 PolarHBondContact O-N 3.12Å; D678-L680 VanDerWaalsContact C-N 3.32Å; D678-L680 PolarHBondContact O-N 3.45Å; L680-R684 VanDerWaalsContact O-CB 3.3Å; L680-R684 WeakPolarHBondContact O-CB 3.44Å; L680-R684 PolarHBondContact O-N 2.86Å |
| 681 | C | 65.3 | Low | 63 | Low | 46 Ų | 46 | 48.8 Ų | 48.8 | 31% | 0.311 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 174.6 | -75.9 | 0 | 0 | 0 | 0 | 111.3 | K677 D678 L683 R684 T685 | K677-C681 PolarHBondContact O-N 3.17Å; K677-C681 VanDerWaalsContact O-N 3.13Å; D678-C681 PolarHBondContact O-N 3.45Å; C681-L683 PolarHBondContact O-N 2.54Å; C681-R684 WeakPolarHBondContact O-CB 3.22Å; C681-R684 PolarHBondContact O-N 2.89Å; C681-T685 PolarHBondContact O-N 3.25Å; C681-T685 PolarHBondContact O-OG1 3.08Å |
| 682 | N | 65.9 | Low | 63.8 | Low | 53 Ų | 53 | 52.9 Ų | 52.9 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 179.7 | -69.6 | -10.6 | 0 | 0 | 0 | 112.2 | D678 S679 R684 T685 L686 | D678-N682 PolarHBondContact O-N 2.73Å; S679-N682 PolarHBondContact O-N 2.95Å; N682-R684 VanDerWaalsContact C-N 3.33Å; N682-R684 PolarHBondContact O-N 2.93Å; N682-T685 PolarHBondContact O-N 3.27Å; N682-L686 WeakPolarHBondContact O-CB 3.3Å; N682-L686 PolarHBondContact O-N 3.34Å |
| 683 | L | 69 | Low | 64.7 | Low | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 178 | -129.3 | 157.8 | 0 | 0 | 0 | 111.3 | R531 C534 L595 L658 S679 C681 L686 I687 | R531-L683 HydrophobicContact CG-CD1 4.46Å; R531-L683 WeakPolarHBondContact O-CD1 3.4Å; C534-L683 HydrophobicContact CB-CD1 3.73Å; C534-L683 HydrophobicContact CB-CD2 3.69Å; C534-L683 HydrophobicContact CB-CG 3.57Å; L595-L683 HydrophobicContact CD2-CD2 4.32Å; L658-L683 HydrophobicContact CD1-CB 4.06Å; S679-L683 WeakPolarHBondContact O-CB 3.41Å; S679-L683 PolarHBondContact O-N 3.16Å; C681-L683 PolarHBondContact O-N 2.54Å; L683-L686 WeakPolarHBondContact O-CB 3.42Å; L683-L686 PolarHBondContact O-N 3.39Å; L683-I687 HydrophobicContact CD2-CD1 3.81Å; L683-I687 HydrophobicContact CD2-CG1 4.25Å; L683-I687 WeakPolarHBondContact O-CD1 3.44Å; L683-I687 WeakPolarHBondContact O-CG1 3.49Å; L683-I687 PolarHBondContact O-N 3.35Å |
| 684 | R | 69.8 | Low | 65.3 | Low | 77 Ų | 77 | 52.3 Ų | 52.3 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 175.9 | -174.5 | -174.8 | -171.1 | -170 | -0.2 | 111.8 | L658 L680 C681 N682 L686 I687 D688 | L658-R684 WeakPolarHBondContact O-CD 3.49Å; L680-R684 VanDerWaalsContact O-CB 3.3Å; L680-R684 WeakPolarHBondContact O-CB 3.44Å; L680-R684 PolarHBondContact O-N 2.86Å; C681-R684 WeakPolarHBondContact O-CB 3.22Å; C681-R684 PolarHBondContact O-N 2.89Å; N682-R684 VanDerWaalsContact C-N 3.33Å; N682-R684 PolarHBondContact O-N 2.93Å; R684-L686 VanDerWaalsContact C-N 3.26Å; R684-L686 PolarHBondContact O-N 2.97Å; R684-I687 PolarHBondContact O-N 3.38Å; R684-D688 VanDerWaalsContact O-CG 3.24Å; R684-D688 PolarHBondContact O-N 3.46Å |
| 685 | T | 70.4 | Confident | 65.8 | Low | 54 Ų | 54 | 52.9 Ų | 52.9 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.4 | -33.5 | -179.4 | -42.2 | 0 | 0 | 0 | 0 | 111.5 | F539 C681 N682 N689 | F539-T685 HydrophobicContact CD2-CG2 4.18Å; F539-T685 HydrophobicContact CE1-CG2 4.4Å; F539-T685 HydrophobicContact CE2-CG2 3.18Å; F539-T685 HydrophobicContact CZ-CG2 3.29Å; C681-T685 PolarHBondContact O-N 3.25Å; C681-T685 PolarHBondContact O-OG1 3.08Å; N682-T685 PolarHBondContact O-N 3.27Å; T685-N689 PolarHBondContact O-N 2.92Å; T685-N689 VanDerWaalsContact O-N 3.15Å; T685-N689 PolarHBondContact O-ND2 3.02Å |
| 686 | L | 69.9 | Low | 66.1 | Low | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -50.8 | 172.3 | -175.1 | 67.8 | 0 | 0 | 0 | 111.8 | I537 V592 L595 N682 L683 R684 D688 N689 I690 | I537-L686 HydrophobicContact CD1-CD2 4.1Å; V592-L686 HydrophobicContact CB-CD2 4.46Å; V592-L686 HydrophobicContact CG1-CD1 3.81Å; V592-L686 HydrophobicContact CG1-CD2 4.34Å; V592-L686 HydrophobicContact CG1-CG 4.44Å; V592-L686 HydrophobicContact CG2-CD1 4Å; V592-L686 HydrophobicContact CG2-CD2 3.92Å; L595-L686 HydrophobicContact CD2-CD2 3.61Å; L595-L686 HydrophobicContact CD2-CG 3.95Å; N682-L686 WeakPolarHBondContact O-CB 3.3Å; N682-L686 PolarHBondContact O-N 3.34Å; L683-L686 WeakPolarHBondContact O-CB 3.42Å; L683-L686 PolarHBondContact O-N 3.39Å; R684-L686 VanDerWaalsContact C-N 3.26Å; R684-L686 PolarHBondContact O-N 2.97Å; L686-D688 VanDerWaalsContact C-N 3.28Å; L686-D688 PolarHBondContact O-N 3.09Å; L686-N689 PolarHBondContact O-N 3.35Å; L686-I690 HydrophobicContact CD1-CD1 4.33Å; L686-I690 HydrophobicContact CG-CD1 3.93Å; L686-I690 VanDerWaalsContact O-CG1 3.25Å; L686-I690 WeakPolarHBondContact O-CG1 3.48Å; L686-I690 PolarHBondContact O-N 3.43Å; L686-I690 VanDerWaalsContact O-N 3.1Å |
| 687 | I | 73.5 | Confident | 66.3 | Low | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | 176.4 | -69.2 | 161.3 | 0 | 0 | 0 | 110.5 | L595 I599 L656 L658 L683 R684 N689 I690 S691 Y698 | L595-I687 HydrophobicContact CD1-CG1 4.19Å; L595-I687 HydrophobicContact CD2-CG1 3.76Å; L595-I687 HydrophobicContact CG-CG1 4.38Å; I599-I687 HydrophobicContact CD1-CG1 4.48Å; I599-I687 HydrophobicContact CD1-CG2 4.09Å; L656-I687 HydrophobicContact CB-CG2 4.39Å; L656-I687 HydrophobicContact CD2-CB 4.39Å; L656-I687 HydrophobicContact CD2-CD1 3.59Å; L656-I687 HydrophobicContact CD2-CG1 3.83Å; L656-I687 HydrophobicContact CD2-CG2 3.61Å; L656-I687 HydrophobicContact CG-CG2 4.47Å; L658-I687 HydrophobicContact CD1-CD1 4.43Å; L683-I687 HydrophobicContact CD2-CD1 3.81Å; L683-I687 HydrophobicContact CD2-CG1 4.25Å; L683-I687 WeakPolarHBondContact O-CD1 3.44Å; L683-I687 WeakPolarHBondContact O-CG1 3.49Å; L683-I687 PolarHBondContact O-N 3.35Å; R684-I687 PolarHBondContact O-N 3.38Å; I687-N689 PolarHBondContact O-N 3.3Å; I687-I690 PolarHBondContact O-N 2.57Å; I687-S691 WeakPolarHBondContact O-CB 3.33Å; I687-S691 PolarHBondContact O-N 2.88Å; I687-S691 PolarHBondContact O-OG 2.65Å; I687-Y698 HydrophobicContact CG2-CE1 3.76Å; I687-Y698 VanDerWaalsContact CG2-OH 3.23Å; I687-Y698 WeakPolarHBondContact CG2-OH 3.34Å |
| 688 | D | 70.2 | Confident | 66.6 | Low | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -45.3 | -179.3 | -75.1 | -25.7 | 0 | 0 | 0 | 112.4 | R684 L686 I690 S691 V692 Y698 K699 | R684-D688 VanDerWaalsContact O-CG 3.24Å; R684-D688 PolarHBondContact O-N 3.46Å; L686-D688 VanDerWaalsContact C-N 3.28Å; L686-D688 PolarHBondContact O-N 3.09Å; D688-I690 VanDerWaalsContact C-N 3.32Å; D688-I690 PolarHBondContact O-N 3.48Å; D688-S691 PolarHBondContact O-OG 2.81Å; D688-V692 VanDerWaalsContact O-CG2 3.25Å; D688-V692 WeakPolarHBondContact O-CG2 3.38Å; D688-V692 PolarHBondContact O-N 3.41Å; D688-Y698 PolarHBondContact OD1-OH 3Å; D688-K699 WeakPolarHBondContact OD1-CE 3.41Å; D688-K699 IonicContact OD1-NZ 2.57Å; D688-K699 PolarHBondContact OD1-NZ 3.08Å; D688-K699 IonicContact OD2-NZ 2.69Å; D688-K699 PolarHBondContact OD2-NZ 3.39Å |
| 689 | N | 69.4 | Low | 66.7 | Low | 56 Ų | 56 | 47.1 Ų | 47.1 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 178.1 | -72 | -21.5 | 0 | 0 | 0 | 111.8 | L546 T685 L686 I687 | L546-N689 HydrophobicContact CD2-CB 4.19Å; T685-N689 PolarHBondContact O-N 2.92Å; T685-N689 VanDerWaalsContact O-N 3.15Å; T685-N689 PolarHBondContact O-ND2 3.02Å; L686-N689 PolarHBondContact O-N 3.35Å; I687-N689 PolarHBondContact O-N 3.3Å |
| 690 | I | 69.5 | Low | 66.9 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -47 | 178.7 | -65.2 | 166.7 | 0 | 0 | 0 | 110.7 | L546 V592 L595 V596 I599 L686 I687 D688 V692 R693 F694 | L546-I690 HydrophobicContact CD1-CG1 4Å; V592-I690 HydrophobicContact CG1-CD1 4.34Å; L595-I690 HydrophobicContact CB-CD1 4.27Å; L595-I690 HydrophobicContact CD2-CD1 3.74Å; L595-I690 HydrophobicContact CG-CD1 3.92Å; V596-I690 HydrophobicContact CB-CG2 4.34Å; V596-I690 HydrophobicContact CG2-CB 4.46Å; V596-I690 HydrophobicContact CG2-CD1 3.6Å; V596-I690 HydrophobicContact CG2-CG1 3.69Å; V596-I690 HydrophobicContact CG2-CG2 3.9Å; I599-I690 HydrophobicContact CB-CG2 3.99Å; I599-I690 HydrophobicContact CD1-CB 4.02Å; I599-I690 HydrophobicContact CD1-CD1 4.41Å; I599-I690 HydrophobicContact CD1-CG2 3.66Å; I599-I690 HydrophobicContact CG1-CG2 4.41Å; I599-I690 HydrophobicContact CG2-CG2 3.81Å; L686-I690 HydrophobicContact CD1-CD1 4.33Å; L686-I690 HydrophobicContact CG-CD1 3.93Å; L686-I690 VanDerWaalsContact O-CG1 3.25Å; L686-I690 WeakPolarHBondContact O-CG1 3.48Å; L686-I690 PolarHBondContact O-N 3.43Å; L686-I690 VanDerWaalsContact O-N 3.1Å; I687-I690 PolarHBondContact O-N 2.57Å; D688-I690 VanDerWaalsContact C-N 3.32Å; D688-I690 PolarHBondContact O-N 3.48Å; I690-V692 PolarHBondContact O-N 3.35Å; I690-R693 WeakPolarHBondContact O-CB 3.18Å; I690-R693 PolarHBondContact O-N 3.2Å; I690-F694 HydrophobicContact CG2-CD2 3.8Å; I690-F694 HydrophobicContact CG2-CE2 4Å; I690-F694 WeakPolarHBondContact O-CD2 3.39Å; I690-F694 PolarHBondContact O-N 3.45Å; I690-F694 VanDerWaalsContact O-N 3.14Å |
| 691 | S | 69.4 | Low | 67 | Low | 8 Ų | 8 | 47.5 Ų | 47.5 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | -176.1 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | I687 D688 R693 F694 N695 W696 Y698 | I687-S691 WeakPolarHBondContact O-CB 3.33Å; I687-S691 PolarHBondContact O-N 2.88Å; I687-S691 PolarHBondContact O-OG 2.65Å; D688-S691 PolarHBondContact O-OG 2.81Å; S691-R693 PolarHBondContact O-N 3.48Å; S691-F694 PolarHBondContact O-N 2.87Å; S691-N695 PolarHBondContact O-N 2.88Å; S691-W696 WeakPolarHBondContact CB-O 3.38Å; S691-W696 PolarHBondContact O-N 3.42Å; S691-Y698 VanDerWaalsContact CB-CD1 3.49Å; S691-Y698 VanDerWaalsContact CB-CE1 3.48Å; S691-Y698 VanDerWaalsContact OG-CE1 3.29Å; S691-Y698 WeakPolarHBondContact OG-CE1 3.36Å |
| 692 | V | 68 | Low | 67.2 | Low | 113 Ų | 113 | 47.8 Ų | 47.8 | 69% | 0.685 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -56.9 | -37.4 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | D688 I690 | D688-V692 VanDerWaalsContact O-CG2 3.25Å; D688-V692 WeakPolarHBondContact O-CG2 3.38Å; D688-V692 PolarHBondContact O-N 3.41Å; I690-V692 PolarHBondContact O-N 3.35Å |
| 693 | R | 64.5 | Low | 67.6 | Low | 107 Ų | 107 | 45.5 Ų | 45.5 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -76.5 | -32.7 | -176.3 | -161.9 | 164.5 | -169.8 | 132.9 | 10.3 | 114.3 | L546 N547 I690 S691 N695 | L546-R693 VanDerWaalsContact O-CZ 3.32Å; L546-R693 PolarHBondContact O-NH1 3.45Å; L546-R693 VanDerWaalsContact O-NH1 3.08Å; N547-R693 PolarHBondContact OD1-NH1 2.7Å; I690-R693 WeakPolarHBondContact O-CB 3.18Å; I690-R693 PolarHBondContact O-N 3.2Å; S691-R693 PolarHBondContact O-N 3.48Å; R693-N695 VanDerWaalsContact C-N 3.31Å |
| 694 | F | 61.1 | Low | 67.9 | Low | 50 Ų | 50 | 45.5 Ų | 45.5 | 22% | 0.219 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 15.2 | 177.2 | -70.4 | -76.7 | 0 | 0 | 0 | 113.6 | V596 R600 I690 S691 W696 | V596-F694 HydrophobicContact CB-CE2 4.44Å; V596-F694 HydrophobicContact CG1-CE2 3.44Å; V596-F694 VanDerWaalsContact CG1-CE2 3.44Å; V596-F694 HydrophobicContact CG1-CZ 3.52Å; R600-F694 HydrophobicContact CB-CD1 4.05Å; R600-F694 HydrophobicContact CB-CE1 4.2Å; R600-F694 HydrophobicContact CB-CG 4.36Å; R600-F694 HydrophobicContact CG-CD1 3.8Å; R600-F694 HydrophobicContact CG-CE1 3.94Å; I690-F694 HydrophobicContact CG2-CD2 3.8Å; I690-F694 HydrophobicContact CG2-CE2 4Å; I690-F694 WeakPolarHBondContact O-CD2 3.39Å; I690-F694 PolarHBondContact O-N 3.45Å; I690-F694 VanDerWaalsContact O-N 3.14Å; S691-F694 PolarHBondContact O-N 2.87Å; F694-W696 PolarHBondContact O-N 3.29Å |
| 695 | N | 60.5 | Low | 68.1 | Low | 146 Ų | 146 | 45.5 Ų | 45.5 | 78% | 0.781 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 27 | -174.6 | -65.1 | -20 | 0 | 0 | 0 | 113 | S691 R693 D697 | S691-N695 PolarHBondContact O-N 2.88Å; R693-N695 VanDerWaalsContact C-N 3.31Å; N695-D697 PolarHBondContact O-N 3.3Å |
| 696 | W | 61.1 | Low | 68.4 | Low | 13 Ų | 13 | 44.8 Ų | 44.8 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -91.9 | 92.5 | 177 | -172.2 | 40.9 | 0 | 0 | 0 | 108.7 | I599 I602 S603 A652 L656 S691 F694 Y698 | I599-W696 HydrophobicContact CB-CE3 4.35Å; I599-W696 HydrophobicContact CB-CZ3 4.41Å; I599-W696 HydrophobicContact CG1-CE3 4.39Å; I599-W696 HydrophobicContact CG1-CZ3 4.07Å; I599-W696 HydrophobicContact CG2-CE3 3.6Å; I599-W696 HydrophobicContact CG2-CZ3 4.13Å; I602-W696 HydrophobicContact CB-CH2 3.91Å; I602-W696 HydrophobicContact CB-CZ2 4.04Å; I602-W696 HydrophobicContact CB-CZ3 4.4Å; I602-W696 HydrophobicContact CD1-CH2 4.14Å; I602-W696 HydrophobicContact CG2-CH2 3.42Å; I602-W696 VanDerWaalsContact CG2-CH2 3.42Å; I602-W696 HydrophobicContact CG2-CZ2 3.2Å; I602-W696 HydrophobicContact CG2-CZ3 4.35Å; S603-W696 WeakPolarHBondContact OG-CB 3.35Å; A652-W696 HydrophobicContact CB-CH2 4.33Å; L656-W696 HydrophobicContact CD1-CE3 4.45Å; L656-W696 HydrophobicContact CD1-CH2 3.19Å; L656-W696 HydrophobicContact CD1-CZ2 4.41Å; L656-W696 HydrophobicContact CD1-CZ3 3.21Å; S691-W696 WeakPolarHBondContact CB-O 3.38Å; S691-W696 PolarHBondContact O-N 3.42Å; F694-W696 PolarHBondContact O-N 3.29Å; W696-Y698 HydrophobicContact CE3-CD1 4.33Å; W696-Y698 PolarHBondContact O-N 2.79Å | ||
| 697 | D | 64.8 | Low | 68.9 | Low | 87 Ų | 87 | 44.5 Ų | 44.5 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | trans | -83.9 | 57.1 | -169.6 | -155.6 | -7.2 | 0 | 0 | 0 | 111.6 | N695 K699 S700 | N695-D697 PolarHBondContact O-N 3.3Å; D697-K699 PolarHBondContact O-N 3.29Å; D697-K699 VanDerWaalsContact O-N 3.17Å; D697-S700 WeakPolarHBondContact CB-OG 3.33Å; D697-S700 WeakPolarHBondContact O-CB 3.41Å; D697-S700 PolarHBondContact O-N 3.43Å; D697-S700 PolarHBondContact O-OG 3.1Å; D697-S700 WeakPolarHBondContact OD1-CB 3.36Å; D697-S700 PolarHBondContact OD1-N 3.04Å; D697-S700 PolarHBondContact OD1-OG 3.34Å; D697-S700 WeakPolarHBondContact OD2-CB 3.32Å; D697-S700 PolarHBondContact OD2-OG 3.29Å | ||
| 698 | Y | 67.7 | Low | 69.2 | Low | 6 Ų | 6 | 44.5 Ų | 44.5 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.4 | -172.5 | 81.9 | -85 | 0 | 0 | 0 | 113.3 | L656 I687 D688 S691 W696 L703 | L656-Y698 HydrophobicContact CB-CD2 4.35Å; L656-Y698 HydrophobicContact CB-CE2 3.97Å; I687-Y698 HydrophobicContact CG2-CE1 3.76Å; I687-Y698 VanDerWaalsContact CG2-OH 3.23Å; I687-Y698 WeakPolarHBondContact CG2-OH 3.34Å; D688-Y698 PolarHBondContact OD1-OH 3Å; S691-Y698 VanDerWaalsContact CB-CD1 3.49Å; S691-Y698 VanDerWaalsContact CB-CE1 3.48Å; S691-Y698 VanDerWaalsContact OG-CE1 3.29Å; S691-Y698 WeakPolarHBondContact OG-CE1 3.36Å; W696-Y698 HydrophobicContact CE3-CD1 4.33Å; W696-Y698 PolarHBondContact O-N 2.79Å; Y698-L703 WeakPolarHBondContact O-CD2 3.31Å |
| 699 | K | 64.8 | Low | 69.6 | Low | 87 Ų | 87 | 44.5 Ų | 44.5 | 38% | 0.378 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -15.6 | 173 | -73.8 | -174.9 | 170.9 | 177.1 | 0 | 113.5 | D688 D697 | D688-K699 WeakPolarHBondContact OD1-CE 3.41Å; D688-K699 IonicContact OD1-NZ 2.57Å; D688-K699 PolarHBondContact OD1-NZ 3.08Å; D688-K699 IonicContact OD2-NZ 2.69Å; D688-K699 PolarHBondContact OD2-NZ 3.39Å; D697-K699 PolarHBondContact O-N 3.29Å; D697-K699 VanDerWaalsContact O-N 3.17Å |
| 700 | S | 66.3 | Low | 70 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -69.6 | 158.1 | -175.2 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | D697 N702 L703 | D697-S700 WeakPolarHBondContact CB-OG 3.33Å; D697-S700 WeakPolarHBondContact O-CB 3.41Å; D697-S700 PolarHBondContact O-N 3.43Å; D697-S700 PolarHBondContact O-OG 3.1Å; D697-S700 WeakPolarHBondContact OD1-CB 3.36Å; D697-S700 PolarHBondContact OD1-N 3.04Å; D697-S700 PolarHBondContact OD1-OG 3.34Å; D697-S700 WeakPolarHBondContact OD2-CB 3.32Å; D697-S700 PolarHBondContact OD2-OG 3.29Å; S700-N702 PolarHBondContact O-N 2.88Å; S700-N702 WeakPolarHBondContact OG-CB 3.38Å; S700-N702 PolarHBondContact OG-N 3.23Å; S700-N702 VanDerWaalsContact OG-N 3.11Å; S700-L703 PolarHBondContact O-N 3.42Å; S700-L703 PolarHBondContact OG-N 3.48Å |
| 701 | T | 66.2 | Low | 70.7 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 22% | 0.221 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.4 | -18.7 | 158.4 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | R705 A736 | T701-R705 VanDerWaalsContact O-CG 3.29Å; T701-R705 WeakPolarHBondContact O-CG 3.43Å; T701-R705 PolarHBondContact O-N 2.86Å; T701-A736 HydrophobicContact CG2-CB 4.02Å |
| 702 | N | 69.8 | Low | 71 | Confident | 52 Ų | 52 | 43.3 Ų | 43.3 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -73 | -44.8 | 177.1 | -64.9 | -38 | 0 | 0 | 0 | 112.5 | S700 L704 R705 Y706 | S700-N702 PolarHBondContact O-N 2.88Å; S700-N702 WeakPolarHBondContact OG-CB 3.38Å; S700-N702 PolarHBondContact OG-N 3.23Å; S700-N702 VanDerWaalsContact OG-N 3.11Å; N702-L704 PolarHBondContact O-N 3.13Å; N702-R705 CarbonylContact O-C 3.49Å; N702-R705 WeakPolarHBondContact O-CA 3.26Å; N702-R705 WeakPolarHBondContact O-CB 3.46Å; N702-R705 PolarHBondContact O-N 3.25Å; N702-Y706 HydrophobicContact CB-CE2 4Å; N702-Y706 VanDerWaalsContact O-CD2 3.27Å; N702-Y706 WeakPolarHBondContact O-CD2 3.46Å; N702-Y706 PolarHBondContact O-N 3.47Å |
| 703 | L | 72.8 | Confident | 71.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 174.8 | 174.9 | 63.4 | 0 | 0 | 0 | 110.8 | Y632 L653 Y698 S700 Y706 L707 W730 | Y632-L703 HydrophobicContact CE2-CD1 3.38Å; Y632-L703 WeakPolarHBondContact OH-CD1 3.49Å; L653-L703 HydrophobicContact CD2-CD2 3.97Å; Y698-L703 WeakPolarHBondContact O-CD2 3.31Å; S700-L703 PolarHBondContact O-N 3.42Å; S700-L703 PolarHBondContact OG-N 3.48Å; L703-Y706 PolarHBondContact O-N 2.99Å; L703-L707 HydrophobicContact CG-CD1 4.46Å; L703-L707 PolarHBondContact O-N 2.71Å; L703-W730 HydrophobicContact CB-CZ2 4.45Å; L703-W730 HydrophobicContact CD2-CH2 3.66Å; L703-W730 HydrophobicContact CD2-CZ2 3.81Å; L703-W730 HydrophobicContact CG-CH2 4.07Å; L703-W730 HydrophobicContact CG-CZ2 4.16Å |
| 704 | L | 75.2 | Confident | 72.4 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 174.5 | 177.5 | 60.7 | 0 | 0 | 0 | 111.3 | N702 Y706 L707 L708 I726 L737 A740 | N702-L704 PolarHBondContact O-N 3.13Å; L704-Y706 VanDerWaalsContact C-N 3.35Å; L704-Y706 PolarHBondContact O-N 3.07Å; L704-L707 PolarHBondContact O-N 3.21Å; L704-L708 HydrophobicContact CD1-CD1 4Å; L704-L708 HydrophobicContact CD1-CG 4.22Å; L704-L708 HydrophobicContact CG-CD1 3.96Å; L704-L708 WeakPolarHBondContact O-CB 2.77Å; L704-L708 WeakPolarHBondContact O-CG 3.13Å; L704-L708 PolarHBondContact O-N 3.18Å; L704-I726 HydrophobicContact CD1-CB 4.36Å; L704-I726 HydrophobicContact CD1-CD1 3.9Å; L704-I726 HydrophobicContact CD1-CG1 3.85Å; L704-I726 HydrophobicContact CD1-CG2 3.6Å; L704-L737 HydrophobicContact CD1-CD1 4.22Å; L704-L737 HydrophobicContact CD2-CB 4.34Å; L704-L737 HydrophobicContact CD2-CD1 3.92Å; L704-L737 HydrophobicContact CD2-CG 3.91Å; L704-A740 HydrophobicContact CD2-CB 3.42Å; L704-A740 VanDerWaalsContact CD2-CB 3.42Å; L704-A740 HydrophobicContact CG-CB 3.89Å |
| 705 | R | 75.3 | Confident | 73.4 | Confident | 77 Ų | 77 | 35.4 Ų | 35.4 | 29% | 0.291 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 174.2 | -76.2 | 172.5 | -178.8 | 158.8 | 2.4 | 112.6 | T701 N702 L708 N709 A740 | T701-R705 VanDerWaalsContact O-CG 3.29Å; T701-R705 WeakPolarHBondContact O-CG 3.43Å; T701-R705 PolarHBondContact O-N 2.86Å; N702-R705 CarbonylContact O-C 3.49Å; N702-R705 WeakPolarHBondContact O-CA 3.26Å; N702-R705 WeakPolarHBondContact O-CB 3.46Å; N702-R705 PolarHBondContact O-N 3.25Å; R705-L708 PolarHBondContact O-N 3.25Å; R705-N709 WeakPolarHBondContact O-CB 3.49Å; R705-N709 PolarHBondContact O-N 3.22Å; R705-N709 PolarHBondContact O-ND2 3.07Å; R705-A740 HydrophobicContact CG-CB 4.28Å |
| 706 | Y | 77.3 | Confident | 74.3 | Confident | 40 Ų | 40 | 30.7 Ų | 30.7 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | -179.2 | -56.7 | -30.9 | 0 | 0 | 0 | 113.2 | I608 H630 Y632 N702 L703 L704 G710 | I608-Y706 HydrophobicContact CD1-CD2 4.32Å; I608-Y706 HydrophobicContact CD1-CE1 4.29Å; I608-Y706 HydrophobicContact CD1-CE2 3.42Å; I608-Y706 VanDerWaalsContact CD1-CE2 3.42Å; I608-Y706 VanDerWaalsContact CD1-OH 3.25Å; I608-Y706 WeakPolarHBondContact CD1-OH 3.48Å; I608-Y706 HydrophobicContact CG1-CD2 4.03Å; I608-Y706 HydrophobicContact CG1-CE2 3.63Å; H630-Y706 HydrophobicContact CB-CD1 3.72Å; H630-Y706 HydrophobicContact CB-CE1 3.38Å; H630-Y706 VanDerWaalsContact O-CD1 3.23Å; H630-Y706 WeakPolarHBondContact O-CD1 3.38Å; Y632-Y706 HydrophobicContact CE1-CD2 4.37Å; N702-Y706 HydrophobicContact CB-CE2 4Å; N702-Y706 VanDerWaalsContact O-CD2 3.27Å; N702-Y706 WeakPolarHBondContact O-CD2 3.46Å; N702-Y706 PolarHBondContact O-N 3.47Å; L703-Y706 PolarHBondContact O-N 2.99Å; L704-Y706 VanDerWaalsContact C-N 3.35Å; L704-Y706 PolarHBondContact O-N 3.07Å; Y706-G710 PolarHBondContact O-N 3.1Å; Y706-G710 VanDerWaalsContact O-N 3.16Å |
| 707 | L | 79.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 173.4 | -74.6 | 172.8 | 0 | 0 | 0 | 111.3 | Y632 F633 I649 L703 L704 G710 I722 I726 W730 | Y632-L707 HydrophobicContact CD2-CD2 4.09Å; Y632-L707 HydrophobicContact CD2-CG 4.5Å; Y632-L707 HydrophobicContact CE2-CD2 4.37Å; Y632-L707 HydrophobicContact CE2-CG 4.41Å; F633-L707 HydrophobicContact CE2-CD2 4.41Å; I649-L707 HydrophobicContact CD1-CD2 4.16Å; I649-L707 HydrophobicContact CG2-CD2 4.48Å; L703-L707 HydrophobicContact CG-CD1 4.46Å; L703-L707 PolarHBondContact O-N 2.71Å; L704-L707 PolarHBondContact O-N 3.21Å; L707-G710 PolarHBondContact O-N 2.87Å; L707-G710 VanDerWaalsContact O-N 3.12Å; L707-I722 HydrophobicContact CB-CG2 4.18Å; L707-I726 HydrophobicContact CB-CD1 4.32Å; L707-I726 HydrophobicContact CD1-CG1 4.42Å; L707-W730 HydrophobicContact CD1-CH2 4.42Å; L707-W730 HydrophobicContact CD1-CZ3 4.44Å |
| 708 | L | 80.2 | Confident | 76.1 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 178.7 | -72.7 | 171.7 | 0 | 0 | 0 | 112.1 | L704 R705 G710 L711 L723 I726 I741 M745 | L704-L708 HydrophobicContact CD1-CD1 4Å; L704-L708 HydrophobicContact CD1-CG 4.22Å; L704-L708 HydrophobicContact CG-CD1 3.96Å; L704-L708 WeakPolarHBondContact O-CB 2.77Å; L704-L708 WeakPolarHBondContact O-CG 3.13Å; L704-L708 PolarHBondContact O-N 3.18Å; R705-L708 PolarHBondContact O-N 3.25Å; L708-G710 PolarHBondContact O-N 2.97Å; L708-L711 HydrophobicContact CD2-CD1 4.16Å; L708-L711 WeakPolarHBondContact O-CB 3.38Å; L708-L711 WeakPolarHBondContact O-CD1 3.46Å; L708-L711 WeakPolarHBondContact O-CG 3.28Å; L708-L711 PolarHBondContact O-N 3.42Å; L708-L723 HydrophobicContact CD2-CD2 4.41Å; L708-I726 HydrophobicContact CD2-CD1 3.69Å; L708-I726 HydrophobicContact CG-CD1 3.97Å; L708-I741 HydrophobicContact CD1-CG1 3.85Å; L708-M745 HydrophobicContact CB-SD 3.47Å; L708-M745 WeakPolarHBondContact CB-SD 3.46Å; L708-M745 HydrophobicContact CD1-SD 4.46Å; L708-M745 HydrophobicContact CG-SD 4.43Å |
| 709 | N | 77.3 | Confident | 77.2 | Confident | 33 Ų | 33 | 30.9 Ų | 30.9 | 18% | 0.176 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -27.2 | 173.9 | -69.3 | -18.9 | 0 | 0 | 0 | 112.4 | I629 H630 T631 R705 L711 | I629-N709 HydrophobicContact CG2-CB 4Å; H630-N709 PolarHBondContact O-ND2 3.23Å; H630-N709 VanDerWaalsContact O-ND2 3.16Å; T631-N709 HydrophobicContact CG2-CB 3.48Å; T631-N709 VanDerWaalsContact CG2-CB 3.48Å; R705-N709 WeakPolarHBondContact O-CB 3.49Å; R705-N709 PolarHBondContact O-N 3.22Å; R705-N709 PolarHBondContact O-ND2 3.07Å; N709-L711 VanDerWaalsContact C-N 3.3Å; N709-L711 PolarHBondContact O-N 3.11Å |
| 710 | G | 78.4 | Confident | 78 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -69.1 | -19.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y706 L707 L708 L712 Y713 | Y706-G710 PolarHBondContact O-N 3.1Å; Y706-G710 VanDerWaalsContact O-N 3.16Å; L707-G710 PolarHBondContact O-N 2.87Å; L707-G710 VanDerWaalsContact O-N 3.12Å; L708-G710 PolarHBondContact O-N 2.97Å; G710-L712 PolarHBondContact O-N 3.18Å; G710-Y713 PolarHBondContact O-N 3.28Å |
| 711 | L | 83.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -56.8 | -37 | -174.3 | -71.3 | 168 | 0 | 0 | 0 | 112.8 | L708 N709 Y713 V714 Q719 I722 L723 S763 I767 | L708-L711 HydrophobicContact CD2-CD1 4.16Å; L708-L711 WeakPolarHBondContact O-CB 3.38Å; L708-L711 WeakPolarHBondContact O-CD1 3.46Å; L708-L711 WeakPolarHBondContact O-CG 3.28Å; L708-L711 PolarHBondContact O-N 3.42Å; N709-L711 VanDerWaalsContact C-N 3.3Å; N709-L711 PolarHBondContact O-N 3.11Å; L711-Y713 PolarHBondContact O-N 3.09Å; L711-Y713 VanDerWaalsContact O-N 3.15Å; L711-V714 WeakPolarHBondContact O-CG2 3.36Å; L711-V714 PolarHBondContact O-N 3.4Å; L711-Q719 HydrophobicContact CB-CG 4.48Å; L711-Q719 HydrophobicContact CD2-CB 3.71Å; L711-Q719 HydrophobicContact CD2-CG 3.88Å; L711-Q719 PolarHBondContact O-NE2 3.49Å; L711-I722 HydrophobicContact CD2-CB 3.95Å; L711-I722 HydrophobicContact CD2-CD1 3.96Å; L711-I722 HydrophobicContact CD2-CG2 3.88Å; L711-I722 HydrophobicContact CG-CG2 4.41Å; L711-L723 HydrophobicContact CD1-CD2 4.4Å; L711-L723 HydrophobicContact CD2-CG 4.48Å; L711-S763 PolarHBondContact O-OG 3.37Å; L711-I767 HydrophobicContact CD1-CD1 3.64Å; L711-I767 HydrophobicContact CD1-CG1 3.49Å; L711-I767 VanDerWaalsContact CD1-CG1 3.49Å |
| 712 | L | 77 | Confident | 79.9 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 20% | 0.204 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -57 | -27.3 | 177.7 | -85.7 | 167.2 | 0 | 0 | 0 | 114.4 | G710 W752 V760 | G710-L712 PolarHBondContact O-N 3.18Å; L712-W752 HydrophobicContact CD1-CH2 3.54Å; L712-W752 HydrophobicContact CD1-CZ2 3.12Å; L712-W752 HydrophobicContact CD1-CZ3 4.42Å; L712-W752 HydrophobicContact CD2-CD2 3.83Å; L712-W752 HydrophobicContact CD2-CE3 4.22Å; L712-W752 HydrophobicContact CD2-CG 4.31Å; L712-W752 HydrophobicContact CD2-CH2 4.26Å; L712-W752 HydrophobicContact CD2-CZ2 3.9Å; L712-W752 HydrophobicContact CD2-CZ3 4.39Å; L712-W752 HydrophobicContact CG-CD2 4.18Å; L712-W752 HydrophobicContact CG-CE3 4.24Å; L712-W752 HydrophobicContact CG-CH2 3.52Å; L712-W752 HydrophobicContact CG-CZ2 3.46Å; L712-W752 VanDerWaalsContact CG-CZ2 3.46Å; L712-W752 HydrophobicContact CG-CZ3 3.91Å; L712-V760 HydrophobicContact CD2-CG1 4.02Å; L712-V760 HydrophobicContact CD2-CG2 4.28Å |
| 713 | Y | 78.3 | Confident | 80.7 | Confident | 54 Ų | 54 | 27.4 Ų | 27.4 | 21% | 0.212 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -103.8 | 4.9 | -168.9 | -51.8 | -57.2 | 0 | 0 | 0 | 113.1 | I611 T631 F633 P635 G710 L711 | I611-Y713 HydrophobicContact CD1-CE2 4.05Å; T631-Y713 HydrophobicContact CG2-CD2 4.39Å; T631-Y713 HydrophobicContact CG2-CE2 3.79Å; F633-Y713 HydrophobicContact CB-CD2 4.33Å; F633-Y713 WeakPolarHBondContact O-CD2 3.46Å; P635-Y713 HydrophobicContact CB-CD1 4.43Å; P635-Y713 HydrophobicContact CG-CD1 3.8Å; P635-Y713 HydrophobicContact CG-CE1 3.57Å; G710-Y713 PolarHBondContact O-N 3.28Å; L711-Y713 PolarHBondContact O-N 3.09Å; L711-Y713 VanDerWaalsContact O-N 3.15Å |
| 714 | V | 82.2 | Confident | 81.1 | Confident | 9 Ų | 9 | 29.2 Ų | 29.2 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -128.1 | 159.1 | -177.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | F633 A642 L711 L718 Q719 I722 | F633-V714 HydrophobicContact CB-CG1 4.4Å; F633-V714 HydrophobicContact CD1-CG1 3.74Å; F633-V714 HydrophobicContact CE1-CG1 4.2Å; F633-V714 HydrophobicContact CG-CG1 4.03Å; A642-V714 HydrophobicContact CB-CG1 4.01Å; L711-V714 WeakPolarHBondContact O-CG2 3.36Å; L711-V714 PolarHBondContact O-N 3.4Å; V714-L718 HydrophobicContact CB-CB 3.94Å; V714-L718 HydrophobicContact CB-CD1 4.22Å; V714-L718 HydrophobicContact CG1-CD1 4.46Å; V714-L718 HydrophobicContact CG2-CB 4.15Å; V714-Q719 HydrophobicContact CG2-CG 3.79Å; V714-Q719 PolarHBondContact O-NE2 2.98Å; V714-I722 HydrophobicContact CG2-CD1 3.77Å |
| 715 | S | 82.6 | Confident | 81.3 | Confident | 41 Ų | 41 | 29.2 Ų | 29.2 | 29% | 0.287 | 16% | 0.158 | S | C | . | . | trans | -70.9 | 160.6 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | Y639 D717 L718 Q719 | Y639-S715 WeakPolarHBondContact CE2-OG 3.39Å; S715-D717 PolarHBondContact O-N 2.64Å; S715-L718 PolarHBondContact O-N 3.35Å; S715-Q719 WeakPolarHBondContact O-CG 3.45Å; S715-Q719 PolarHBondContact O-N 3.1Å | ||
| 716 | S | 78.9 | Confident | 81.6 | Confident | 47 Ų | 47 | 25.6 Ų | 25.6 | 33% | 0.329 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -50.1 | -36 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | Q719 S720 | S716-Q719 WeakPolarHBondContact O-CB 3.2Å; S716-Q719 PolarHBondContact O-N 3.49Å; S716-S720 PolarHBondContact O-N 3.13Å; S716-S720 VanDerWaalsContact O-N 3.11Å; S716-S720 PolarHBondContact O-OG 2.96Å |
| 717 | D | 79.9 | Confident | 81.8 | Confident | 108 Ų | 108 | 28 Ų | 28 | 58% | 0.578 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -72.8 | -38.8 | -177.7 | -48.1 | -20.9 | 0 | 0 | 0 | 111 | S715 S720 Q721 | S715-D717 PolarHBondContact O-N 2.64Å; D717-S720 WeakPolarHBondContact O-CB 3.41Å; D717-S720 PolarHBondContact O-N 3.01Å; D717-Q721 PolarHBondContact O-N 3.09Å |
| 718 | L | 85.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -74.4 | -33.1 | 175 | -63.9 | -178.2 | 0 | 0 | 0 | 111.7 | Y639 A642 K643 L646 V714 S715 S720 Q721 I722 | Y639-L718 HydrophobicContact CD2-CD1 3.59Å; Y639-L718 HydrophobicContact CD2-CG 4.08Å; Y639-L718 HydrophobicContact CE2-CD1 3.66Å; Y639-L718 HydrophobicContact CE2-CD2 3.98Å; Y639-L718 HydrophobicContact CE2-CG 3.62Å; Y639-L718 HydrophobicContact CG-CD1 4.37Å; A642-L718 HydrophobicContact CB-CD1 3.88Å; K643-L718 HydrophobicContact CB-CD2 4.13Å; K643-L718 HydrophobicContact CG-CD2 4.32Å; L646-L718 HydrophobicContact CD1-CB 3.96Å; L646-L718 HydrophobicContact CD1-CD2 4.02Å; L646-L718 HydrophobicContact CD1-CG 4.38Å; V714-L718 HydrophobicContact CB-CB 3.94Å; V714-L718 HydrophobicContact CB-CD1 4.22Å; V714-L718 HydrophobicContact CG1-CD1 4.46Å; V714-L718 HydrophobicContact CG2-CB 4.15Å; S715-L718 PolarHBondContact O-N 3.35Å; L718-S720 VanDerWaalsContact C-N 3.25Å; L718-S720 PolarHBondContact O-N 2.99Å; L718-Q721 WeakPolarHBondContact O-CB 3.38Å; L718-Q721 PolarHBondContact O-N 3.41Å; L718-Q721 VanDerWaalsContact O-N 3.14Å; L718-I722 WeakPolarHBondContact O-CG1 3.37Å; L718-I722 PolarHBondContact O-N 3.25Å |
| 719 | Q | 89.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 170.7 | -66.1 | 167.9 | 14.9 | 0 | 0 | 110.7 | L711 V714 S715 S716 Q721 I722 L723 S759 T762 S763 N766 | L711-Q719 HydrophobicContact CB-CG 4.48Å; L711-Q719 HydrophobicContact CD2-CB 3.71Å; L711-Q719 HydrophobicContact CD2-CG 3.88Å; L711-Q719 PolarHBondContact O-NE2 3.49Å; V714-Q719 HydrophobicContact CG2-CG 3.79Å; V714-Q719 PolarHBondContact O-NE2 2.98Å; S715-Q719 WeakPolarHBondContact O-CG 3.45Å; S715-Q719 PolarHBondContact O-N 3.1Å; S716-Q719 WeakPolarHBondContact O-CB 3.2Å; S716-Q719 PolarHBondContact O-N 3.49Å; Q719-Q721 VanDerWaalsContact C-N 3.33Å; Q719-Q721 PolarHBondContact O-N 3.13Å; Q719-I722 PolarHBondContact O-N 2.86Å; Q719-L723 WeakPolarHBondContact O-CG 3.31Å; Q719-L723 PolarHBondContact O-N 3.44Å; Q719-S759 PolarHBondContact NE2-O 2.89Å; Q719-S759 VanDerWaalsContact NE2-O 3.12Å; Q719-T762 PolarHBondContact NE2-OG1 3.33Å; Q719-T762 PolarHBondContact OE1-O 3.27Å; Q719-T762 PolarHBondContact OE1-OG1 3.41Å; Q719-S763 PolarHBondContact NE2-OG 3.05Å; Q719-S763 VanDerWaalsContact OE1-N 3.15Å; Q719-N766 PolarHBondContact OE1-ND2 2.88Å |
| 720 | S | 82.7 | Confident | 81 | Confident | 63 Ų | 63 | 31.4 Ų | 31.4 | 44% | 0.441 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | S716 D717 L718 S724 | S716-S720 PolarHBondContact O-N 3.13Å; S716-S720 VanDerWaalsContact O-N 3.11Å; S716-S720 PolarHBondContact O-OG 2.96Å; D717-S720 WeakPolarHBondContact O-CB 3.41Å; D717-S720 PolarHBondContact O-N 3.01Å; L718-S720 VanDerWaalsContact C-N 3.25Å; L718-S720 PolarHBondContact O-N 2.99Å; S720-S724 WeakPolarHBondContact O-CB 3.45Å; S720-S724 PolarHBondContact O-N 3.01Å |
| 721 | Q | 83.9 | Confident | 80.8 | Confident | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.192 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 174.4 | -169.6 | 176.7 | 5 | 0 | 0 | 111.9 | D647 E650 D717 L718 Q719 L723 S724 I725 | D647-Q721 PolarHBondContact OD1-NE2 3.14Å; E650-Q721 PolarHBondContact OE2-NE2 3.24Å; D717-Q721 PolarHBondContact O-N 3.09Å; L718-Q721 WeakPolarHBondContact O-CB 3.38Å; L718-Q721 PolarHBondContact O-N 3.41Å; L718-Q721 VanDerWaalsContact O-N 3.14Å; Q719-Q721 VanDerWaalsContact C-N 3.33Å; Q719-Q721 PolarHBondContact O-N 3.13Å; Q721-L723 VanDerWaalsContact C-N 3.34Å; Q721-L723 PolarHBondContact O-N 3.31Å; Q721-S724 WeakPolarHBondContact O-CB 3.35Å; Q721-S724 PolarHBondContact O-N 3.36Å; Q721-I725 HydrophobicContact CG-CD1 4.42Å; Q721-I725 WeakPolarHBondContact O-CG1 3.28Å; Q721-I725 PolarHBondContact O-N 3.46Å |
| 722 | I | 88 | Confident | 80 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.7 | -49.4 | 174.8 | -72.2 | 166.7 | 0 | 0 | 0 | 110.9 | F633 L646 L707 L711 V714 L718 Q719 S724 I725 I726 | F633-I722 HydrophobicContact CE2-CD1 4.12Å; F633-I722 HydrophobicContact CZ-CD1 4.34Å; L646-I722 HydrophobicContact CD1-CD1 4.4Å; L646-I722 HydrophobicContact CD1-CG1 4.04Å; L646-I722 HydrophobicContact CD2-CD1 4.08Å; L646-I722 HydrophobicContact CD2-CG1 3.29Å; L646-I722 HydrophobicContact CG-CG1 4.31Å; L707-I722 HydrophobicContact CB-CG2 4.18Å; L711-I722 HydrophobicContact CD2-CB 3.95Å; L711-I722 HydrophobicContact CD2-CD1 3.96Å; L711-I722 HydrophobicContact CD2-CG2 3.88Å; L711-I722 HydrophobicContact CG-CG2 4.41Å; V714-I722 HydrophobicContact CG2-CD1 3.77Å; L718-I722 WeakPolarHBondContact O-CG1 3.37Å; L718-I722 PolarHBondContact O-N 3.25Å; Q719-I722 PolarHBondContact O-N 2.86Å; I722-S724 VanDerWaalsContact C-N 3.31Å; I722-S724 PolarHBondContact O-N 3.01Å; I722-I725 WeakPolarHBondContact O-CB 3.2Å; I722-I725 PolarHBondContact O-N 3.5Å; I722-I726 HydrophobicContact CG2-CD1 3.85Å; I722-I726 WeakPolarHBondContact O-CG1 3.49Å; I722-I726 PolarHBondContact O-N 2.89Å |
| 723 | L | 87 | Confident | 79.9 | Confident | 12 Ų | 12 | 41.4 Ų | 41.4 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -32.7 | -179.8 | -69.3 | 170.2 | 0 | 0 | 0 | 112.2 | L708 L711 Q719 Q721 I726 Y727 N766 F770 | L708-L723 HydrophobicContact CD2-CD2 4.41Å; L711-L723 HydrophobicContact CD1-CD2 4.4Å; L711-L723 HydrophobicContact CD2-CG 4.48Å; Q719-L723 WeakPolarHBondContact O-CG 3.31Å; Q719-L723 PolarHBondContact O-N 3.44Å; Q721-L723 VanDerWaalsContact C-N 3.34Å; Q721-L723 PolarHBondContact O-N 3.31Å; L723-I726 HydrophobicContact CD2-CD1 4.32Å; L723-I726 PolarHBondContact O-N 3.14Å; L723-Y727 WeakPolarHBondContact O-CB 3.42Å; L723-Y727 PolarHBondContact O-N 3.15Å; L723-N766 HydrophobicContact CD1-CB 3.57Å; L723-N766 WeakPolarHBondContact CD1-O 3.31Å; L723-F770 HydrophobicContact CB-CD2 3.88Å; L723-F770 HydrophobicContact CB-CE2 4.21Å; L723-F770 HydrophobicContact CD1-CB 4.3Å; L723-F770 HydrophobicContact CD2-CB 4.13Å; L723-F770 HydrophobicContact CD2-CD1 4.38Å; L723-F770 HydrophobicContact CD2-CD2 3.99Å; L723-F770 HydrophobicContact CD2-CE2 4.49Å; L723-F770 HydrophobicContact CD2-CG 3.91Å; L723-F770 HydrophobicContact CG-CD2 4.38Å; L723-F770 VanDerWaalsContact O-CE2 3.27Å; L723-F770 WeakPolarHBondContact O-CE2 3.3Å |
| 724 | S | 81.2 | Confident | 79.7 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 170.8 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | S720 Q721 I722 I726 Y727 D728 | S720-S724 WeakPolarHBondContact O-CB 3.45Å; S720-S724 PolarHBondContact O-N 3.01Å; Q721-S724 WeakPolarHBondContact O-CB 3.35Å; Q721-S724 PolarHBondContact O-N 3.36Å; I722-S724 VanDerWaalsContact C-N 3.31Å; I722-S724 PolarHBondContact O-N 3.01Å; S724-I726 VanDerWaalsContact C-N 3.3Å; S724-I726 PolarHBondContact O-N 3.48Å; S724-Y727 WeakPolarHBondContact O-CB 3.13Å; S724-Y727 PolarHBondContact O-N 3.15Å; S724-D728 WeakPolarHBondContact O-CB 3.23Å; S724-D728 PolarHBondContact O-N 3.47Å |
| 725 | I | 78.7 | Confident | 79.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175.7 | -66.3 | 165.5 | 0 | 0 | 0 | 109.8 | L646 E650 L653 Q721 I722 D728 H729 | L646-I725 HydrophobicContact CD2-CD1 4.1Å; E650-I725 HydrophobicContact CB-CD1 3.86Å; E650-I725 HydrophobicContact CB-CG1 4.02Å; E650-I725 HydrophobicContact CG-CD1 4.44Å; E650-I725 HydrophobicContact CG-CG1 4.08Å; L653-I725 HydrophobicContact CD1-CG2 3.46Å; L653-I725 VanDerWaalsContact CD1-CG2 3.46Å; Q721-I725 HydrophobicContact CG-CD1 4.42Å; Q721-I725 WeakPolarHBondContact O-CG1 3.28Å; Q721-I725 PolarHBondContact O-N 3.46Å; I722-I725 WeakPolarHBondContact O-CB 3.2Å; I722-I725 PolarHBondContact O-N 3.5Å; I725-D728 PolarHBondContact O-N 3.27Å; I725-H729 PolarHBondContact O-N 3.1Å; I725-H729 PolarHBondContact O-ND1 3.38Å |
| 726 | I | 83 | Confident | 78.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 178 | -68.9 | 169.3 | 0 | 0 | 0 | 111 | L704 L707 L708 I722 L723 S724 H729 W730 L737 F770 | L704-I726 HydrophobicContact CD1-CB 4.36Å; L704-I726 HydrophobicContact CD1-CD1 3.9Å; L704-I726 HydrophobicContact CD1-CG1 3.85Å; L704-I726 HydrophobicContact CD1-CG2 3.6Å; L707-I726 HydrophobicContact CB-CD1 4.32Å; L707-I726 HydrophobicContact CD1-CG1 4.42Å; L708-I726 HydrophobicContact CD2-CD1 3.69Å; L708-I726 HydrophobicContact CG-CD1 3.97Å; I722-I726 HydrophobicContact CG2-CD1 3.85Å; I722-I726 WeakPolarHBondContact O-CG1 3.49Å; I722-I726 PolarHBondContact O-N 2.89Å; L723-I726 HydrophobicContact CD2-CD1 4.32Å; L723-I726 PolarHBondContact O-N 3.14Å; S724-I726 VanDerWaalsContact C-N 3.3Å; S724-I726 PolarHBondContact O-N 3.48Å; I726-H729 PolarHBondContact O-N 3.29Å; I726-W730 PolarHBondContact O-N 2.97Å; I726-L737 HydrophobicContact CG2-CD1 3.68Å; I726-F770 HydrophobicContact CB-CZ 4.41Å; I726-F770 HydrophobicContact CG2-CE1 4.15Å; I726-F770 HydrophobicContact CG2-CZ 3.84Å |
| 727 | Y | 79.6 | Confident | 78.7 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.9 | -52.3 | 175.3 | -175.6 | -101.9 | 0 | 0 | 0 | 111.3 | L723 S724 H729 I731 F770 N774 | L723-Y727 WeakPolarHBondContact O-CB 3.42Å; L723-Y727 PolarHBondContact O-N 3.15Å; S724-Y727 WeakPolarHBondContact O-CB 3.13Å; S724-Y727 PolarHBondContact O-N 3.15Å; Y727-H729 PolarHBondContact O-N 2.77Å; Y727-H729 VanDerWaalsContact O-N 3.15Å; Y727-I731 HydrophobicContact CD2-CB 4.12Å; Y727-I731 HydrophobicContact CD2-CD1 4.01Å; Y727-I731 HydrophobicContact CD2-CG1 3.88Å; Y727-I731 HydrophobicContact CE2-CB 4.31Å; Y727-I731 HydrophobicContact CE2-CD1 4.09Å; Y727-I731 HydrophobicContact CE2-CG1 3.73Å; Y727-I731 HydrophobicContact CE2-CG2 4.48Å; Y727-I731 WeakPolarHBondContact O-CB 3.25Å; Y727-I731 WeakPolarHBondContact O-CG2 3.25Å; Y727-I731 PolarHBondContact O-N 3.23Å; Y727-F770 HydrophobicContact CD2-CE2 4.37Å; Y727-N774 VanDerWaalsContact CE2-OD1 3.24Å; Y727-N774 WeakPolarHBondContact CE2-OD1 3.33Å |
| 728 | D | 72.9 | Confident | 78.5 | Confident | 54 Ų | 54 | 41.2 Ų | 41.2 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.3 | -23.4 | -172.4 | -73.6 | -29.5 | 0 | 0 | 0 | 113.1 | S724 I725 | S724-D728 WeakPolarHBondContact O-CB 3.23Å; S724-D728 PolarHBondContact O-N 3.47Å; I725-D728 PolarHBondContact O-N 3.27Å |
| 729 | H | 72.7 | Confident | 78 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -114.1 | -29.2 | -171.1 | -62.4 | 85.6 | 0 | 0 | 0 | 115.5 | L653 G654 N657 I725 I726 Y727 | L653-H729 VanDerWaalsContact CB-NE2 3.34Å; L653-H729 WeakPolarHBondContact CB-NE2 3.43Å; G654-H729 PolarHBondContact N-NE2 3.49Å; N657-H729 WeakPolarHBondContact ND2-CA 3.24Å; N657-H729 WeakPolarHBondContact ND2-CB 3.5Å; N657-H729 PolarHBondContact ND2-O 2.67Å; N657-H729 VanDerWaalsContact ND2-O 3.07Å; I725-H729 PolarHBondContact O-N 3.1Å; I725-H729 PolarHBondContact O-ND1 3.38Å; I726-H729 PolarHBondContact O-N 3.29Å; Y727-H729 PolarHBondContact O-N 2.77Å; Y727-H729 VanDerWaalsContact O-N 3.15Å |
| 730 | W | 76.2 | Confident | 77.1 | Confident | 19 Ų | 19 | 46.3 Ų | 46.3 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -116.5 | -7 | -176.5 | -73.7 | -92.3 | 0 | 0 | 0 | 114.5 | L653 L703 L707 I726 E732 N733 L737 | L653-W730 HydrophobicContact CD1-CH2 3.86Å; L653-W730 HydrophobicContact CD1-CZ3 3.92Å; L653-W730 HydrophobicContact CD2-CH2 3.96Å; L703-W730 HydrophobicContact CB-CZ2 4.45Å; L703-W730 HydrophobicContact CD2-CH2 3.66Å; L703-W730 HydrophobicContact CD2-CZ2 3.81Å; L703-W730 HydrophobicContact CG-CH2 4.07Å; L703-W730 HydrophobicContact CG-CZ2 4.16Å; L707-W730 HydrophobicContact CD1-CH2 4.42Å; L707-W730 HydrophobicContact CD1-CZ3 4.44Å; I726-W730 PolarHBondContact O-N 2.97Å; W730-E732 PolarHBondContact O-N 2.93Å; W730-E732 VanDerWaalsContact O-N 3.12Å; W730-N733 CarbonylContact O-C 3.59Å; W730-N733 PolarHBondContact O-N 3.26Å; W730-L737 HydrophobicContact CB-CD1 3.34Å; W730-L737 HydrophobicContact CG-CD1 4.3Å |
| 731 | I | 74.1 | Confident | 76.7 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 17% | 0.174 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.2 | -173.6 | -164.6 | 63.8 | 0 | 0 | 0 | 114 | Y727 N733 K734 N774 | Y727-I731 HydrophobicContact CD2-CB 4.12Å; Y727-I731 HydrophobicContact CD2-CD1 4.01Å; Y727-I731 HydrophobicContact CD2-CG1 3.88Å; Y727-I731 HydrophobicContact CE2-CB 4.31Å; Y727-I731 HydrophobicContact CE2-CD1 4.09Å; Y727-I731 HydrophobicContact CE2-CG1 3.73Å; Y727-I731 HydrophobicContact CE2-CG2 4.48Å; Y727-I731 WeakPolarHBondContact O-CB 3.25Å; Y727-I731 WeakPolarHBondContact O-CG2 3.25Å; Y727-I731 PolarHBondContact O-N 3.23Å; I731-N733 VanDerWaalsContact C-N 3.29Å; I731-N733 PolarHBondContact O-N 3.24Å; I731-K734 WeakPolarHBondContact O-CG 3.24Å; I731-N774 HydrophobicContact CD1-CB 3.73Å |
| 732 | E | 67.2 | Low | 75.9 | Confident | 128 Ų | 128 | 42.7 Ų | 42.7 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.3 | 175.5 | -67.2 | -172.9 | 169 | 0 | 0 | 112.5 | P663 W730 | P663-E732 WeakPolarHBondContact CD-OE1 3.46Å; W730-E732 PolarHBondContact O-N 2.93Å; W730-E732 VanDerWaalsContact O-N 3.12Å |
| 733 | N | 74.4 | Confident | 74.5 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | trans | -104 | 67.7 | 177.5 | -167.6 | -6.6 | 0 | 0 | 0 | 110.5 | W730 I731 D735 A736 L737 | W730-N733 CarbonylContact O-C 3.59Å; W730-N733 PolarHBondContact O-N 3.26Å; I731-N733 VanDerWaalsContact C-N 3.29Å; I731-N733 PolarHBondContact O-N 3.24Å; N733-D735 PolarHBondContact O-N 3.32Å; N733-A736 HydrophobicContact CB-CB 4.38Å; N733-A736 WeakPolarHBondContact ND2-CB 3.44Å; N733-A736 PolarHBondContact O-N 2.71Å; N733-A736 PolarHBondContact OD1-N 2.87Å; N733-L737 PolarHBondContact O-N 2.91Å | ||
| 734 | K | 73.9 | Confident | 73.4 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54.4 | -37.5 | -178.7 | -71.8 | -174.4 | 176.4 | 172.6 | 0 | 112.3 | I731 L737 K738 E775 L776 | I731-K734 WeakPolarHBondContact O-CG 3.24Å; K734-L737 PolarHBondContact O-N 2.88Å; K734-K738 WeakPolarHBondContact O-CB 3.41Å; K734-K738 WeakPolarHBondContact O-CG 3.25Å; K734-K738 PolarHBondContact O-N 3.38Å; K734-E775 IonicContact NZ-OE2 2.7Å; K734-E775 PolarHBondContact NZ-OE2 3.28Å; K734-L776 HydrophobicContact CB-CD2 4.11Å; K734-L776 HydrophobicContact CG-CD2 4.07Å |
| 735 | D | 74.8 | Confident | 73 | Confident | 118 Ų | 118 | 48.2 Ų | 48.2 | 63% | 0.631 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.2 | -45.1 | -177.1 | -65.6 | -32.7 | 0 | 0 | 0 | 112.5 | N733 L737 K738 E739 | N733-D735 PolarHBondContact O-N 3.32Å; D735-L737 VanDerWaalsContact C-N 3.25Å; D735-L737 PolarHBondContact O-N 2.94Å; D735-K738 WeakPolarHBondContact O-CB 3.47Å; D735-K738 PolarHBondContact O-N 3.33Å; D735-E739 WeakPolarHBondContact O-CB 3.45Å; D735-E739 PolarHBondContact O-N 3.21Å |
| 736 | A | 71.5 | Confident | 72.7 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 12% | 0.124 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T701 N733 E739 A740 | T701-A736 HydrophobicContact CG2-CB 4.02Å; N733-A736 HydrophobicContact CB-CB 4.38Å; N733-A736 WeakPolarHBondContact ND2-CB 3.44Å; N733-A736 PolarHBondContact O-N 2.71Å; N733-A736 PolarHBondContact OD1-N 2.87Å; A736-E739 PolarHBondContact O-N 3.12Å; A736-A740 WeakPolarHBondContact O-CB 3.27Å; A736-A740 PolarHBondContact O-N 3.29Å |
| 737 | L | 76.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.1 | -40.1 | 178.8 | -155 | 122.4 | 0 | 0 | 0 | 111.8 | L704 I726 W730 N733 K734 D735 A740 I741 F770 L776 | L704-L737 HydrophobicContact CD1-CD1 4.22Å; L704-L737 HydrophobicContact CD2-CB 4.34Å; L704-L737 HydrophobicContact CD2-CD1 3.92Å; L704-L737 HydrophobicContact CD2-CG 3.91Å; I726-L737 HydrophobicContact CG2-CD1 3.68Å; W730-L737 HydrophobicContact CB-CD1 3.34Å; W730-L737 HydrophobicContact CG-CD1 4.3Å; N733-L737 PolarHBondContact O-N 2.91Å; K734-L737 PolarHBondContact O-N 2.88Å; D735-L737 VanDerWaalsContact C-N 3.25Å; D735-L737 PolarHBondContact O-N 2.94Å; L737-A740 PolarHBondContact O-N 3Å; L737-I741 HydrophobicContact CD2-CD1 3.49Å; L737-I741 VanDerWaalsContact CD2-CD1 3.49Å; L737-I741 HydrophobicContact CG-CD1 4.1Å; L737-I741 WeakPolarHBondContact O-CB 3.15Å; L737-I741 VanDerWaalsContact O-CG1 3.26Å; L737-I741 WeakPolarHBondContact O-CG1 3.34Å; L737-I741 PolarHBondContact O-N 3.47Å; L737-F770 HydrophobicContact CD2-CE1 3.91Å; L737-L776 HydrophobicContact CB-CD2 4.28Å; L737-L776 HydrophobicContact CD2-CD1 3.17Å; L737-L776 HydrophobicContact CD2-CD2 3.55Å; L737-L776 HydrophobicContact CD2-CG 3.94Å |
| 738 | K | 76 | Confident | 72.3 | Confident | 53 Ų | 53 | 50.4 Ų | 50.4 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 169.7 | -73.5 | -176.9 | 179 | 175.9 | 0 | 110.5 | K734 D735 A740 I741 Y742 L776 | K734-K738 WeakPolarHBondContact O-CB 3.41Å; K734-K738 WeakPolarHBondContact O-CG 3.25Å; K734-K738 PolarHBondContact O-N 3.38Å; D735-K738 WeakPolarHBondContact O-CB 3.47Å; D735-K738 PolarHBondContact O-N 3.33Å; K738-A740 VanDerWaalsContact C-N 3.28Å; K738-A740 PolarHBondContact O-N 2.77Å; K738-I741 PolarHBondContact O-N 3Å; K738-Y742 HydrophobicContact CB-CD2 3.67Å; K738-Y742 HydrophobicContact CB-CE2 3.7Å; K738-Y742 HydrophobicContact CD-CE2 4.19Å; K738-Y742 HydrophobicContact CG-CD2 4.2Å; K738-Y742 HydrophobicContact CG-CE2 3.68Å; K738-Y742 WeakPolarHBondContact O-CB 3.22Å; K738-Y742 WeakPolarHBondContact O-CD2 3.44Å; K738-Y742 PolarHBondContact O-N 3.3Å; K738-L776 WeakPolarHBondContact CE-O 3.43Å; K738-L776 HydrophobicContact CG-CD2 4.18Å |
| 739 | E | 74.2 | Confident | 72.7 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.3 | -30.5 | 178.4 | -162.8 | -165.7 | 157.1 | 0 | 0 | 113.2 | D735 A736 P743 | D735-E739 WeakPolarHBondContact O-CB 3.45Å; D735-E739 PolarHBondContact O-N 3.21Å; A736-E739 PolarHBondContact O-N 3.12Å; E739-P743 WeakPolarHBondContact O-CD 3.3Å; E739-P743 WeakPolarHBondContact O-CG 3.26Å |
| 740 | A | 71.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77 | -34.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L704 R705 A736 L737 K738 | L704-A740 HydrophobicContact CD2-CB 3.42Å; L704-A740 VanDerWaalsContact CD2-CB 3.42Å; L704-A740 HydrophobicContact CG-CB 3.89Å; R705-A740 HydrophobicContact CG-CB 4.28Å; A736-A740 WeakPolarHBondContact O-CB 3.27Å; A736-A740 PolarHBondContact O-N 3.29Å; L737-A740 PolarHBondContact O-N 3Å; K738-A740 VanDerWaalsContact C-N 3.28Å; K738-A740 PolarHBondContact O-N 2.77Å |
| 741 | I | 73.6 | Confident | 73.4 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -85.3 | -42.5 | -175 | -70.8 | 172.4 | 0 | 0 | 0 | 112.3 | L708 L737 K738 M745 V746 | L708-I741 HydrophobicContact CD1-CG1 3.85Å; L737-I741 HydrophobicContact CD2-CD1 3.49Å; L737-I741 VanDerWaalsContact CD2-CD1 3.49Å; L737-I741 HydrophobicContact CG-CD1 4.1Å; L737-I741 WeakPolarHBondContact O-CB 3.15Å; L737-I741 VanDerWaalsContact O-CG1 3.26Å; L737-I741 WeakPolarHBondContact O-CG1 3.34Å; L737-I741 PolarHBondContact O-N 3.47Å; K738-I741 PolarHBondContact O-N 3Å; I741-M745 WeakPolarHBondContact O-CB 3.49Å; I741-M745 PolarHBondContact O-N 3.48Å; I741-V746 HydrophobicContact CG2-CG2 3.52Å; I741-V746 PolarHBondContact O-N 3.26Å |
| 742 | Y | 66.8 | Low | 73.9 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -30.9 | -169.8 | -77.3 | -57.7 | 0 | 0 | 0 | 118.1 | K738 T744 V746 L776 W777 G778 Y781 F782 | K738-Y742 HydrophobicContact CB-CD2 3.67Å; K738-Y742 HydrophobicContact CB-CE2 3.7Å; K738-Y742 HydrophobicContact CD-CE2 4.19Å; K738-Y742 HydrophobicContact CG-CD2 4.2Å; K738-Y742 HydrophobicContact CG-CE2 3.68Å; K738-Y742 WeakPolarHBondContact O-CB 3.22Å; K738-Y742 WeakPolarHBondContact O-CD2 3.44Å; K738-Y742 PolarHBondContact O-N 3.3Å; Y742-T744 VanDerWaalsContact C-N 3.27Å; Y742-T744 PolarHBondContact O-N 3.36Å; Y742-V746 HydrophobicContact CD1-CG2 3.9Å; Y742-V746 HydrophobicContact CE1-CG2 4.03Å; Y742-L776 WeakPolarHBondContact CE2-O 3.49Å; Y742-L776 VanDerWaalsContact OH-C 3.31Å; Y742-L776 PolarHBondContact OH-O 3.49Å; Y742-W777 WeakPolarHBondContact OH-CA 3.45Å; Y742-G778 PolarHBondContact OH-N 3.06Å; Y742-Y781 HydrophobicContact CD1-CD1 4.05Å; Y742-Y781 HydrophobicContact CD1-CD2 4.26Å; Y742-Y781 AromaticContact CD1-CG 3.7Å; Y742-Y781 HydrophobicContact CD1-CG 3.7Å; Y742-Y781 HydrophobicContact CD2-CD1 4.24Å; Y742-Y781 AromaticContact CD2-CD2 3.73Å; Y742-Y781 HydrophobicContact CD2-CD2 3.73Å; Y742-Y781 HydrophobicContact CD2-CE1 4.37Å; Y742-Y781 AromaticContact CD2-CE2 3.89Å; Y742-Y781 HydrophobicContact CD2-CE2 3.89Å; Y742-Y781 AromaticContact CD2-CG 3.92Å; Y742-Y781 HydrophobicContact CD2-CG 3.92Å; Y742-Y781 HydrophobicContact CE1-CD2 4.41Å; Y742-Y781 HydrophobicContact CE1-CG 4.12Å; Y742-Y781 AromaticContact CE2-CD2 3.88Å; Y742-Y781 HydrophobicContact CE2-CD2 3.88Å; Y742-Y781 HydrophobicContact CE2-CE2 4.27Å; Y742-Y781 HydrophobicContact CE2-CG 4.3Å; Y742-Y781 AromaticContact CG-CD1 3.73Å; Y742-Y781 HydrophobicContact CG-CD1 3.73Å; Y742-Y781 AromaticContact CG-CD2 3.96Å; Y742-Y781 HydrophobicContact CG-CD2 3.96Å; Y742-Y781 HydrophobicContact CG-CE1 4.13Å; Y742-Y781 HydrophobicContact CG-CE2 4.35Å; Y742-Y781 AromaticContact CG-CG 3.63Å; Y742-Y781 HydrophobicContact CG-CG 3.63Å; Y742-F782 HydrophobicContact CE1-CD2 4.11Å; Y742-F782 AromaticContact CE1-CE2 3.41Å; Y742-F782 HydrophobicContact CE1-CE2 3.41Å; Y742-F782 VanDerWaalsContact CE1-CE2 3.41Å; Y742-F782 AromaticContact CE1-CZ 3.85Å; Y742-F782 HydrophobicContact CE1-CZ 3.85Å; Y742-F782 AromaticContact CZ-CE2 3.96Å |
| 743 | P | 59.6 | Low | 74.9 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -30.4 | -175.1 | -23.9 | 32.8 | 0 | 0 | 0 | 113.8 | E739 | E739-P743 WeakPolarHBondContact O-CD 3.3Å; E739-P743 WeakPolarHBondContact O-CG 3.26Å |
| 744 | T | 62.9 | Low | 75.4 | Confident | 88 Ų | 88 | 39.1 Ų | 39.1 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -154.7 | -36.2 | -170.6 | 43.6 | 0 | 0 | 0 | 0 | 114.9 | Y742 V746 G747 L748 | Y742-T744 VanDerWaalsContact C-N 3.27Å; Y742-T744 PolarHBondContact O-N 3.36Å; T744-V746 PolarHBondContact O-N 3.15Å; T744-G747 PolarHBondContact O-N 2.98Å; T744-L748 PolarHBondContact O-N 3.35Å; T744-L748 VanDerWaalsContact O-N 3.15Å |
| 745 | M | 72.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -34.9 | -170.7 | -88.3 | -103.7 | 52.3 | 0 | 0 | 113.8 | L708 I741 L748 A749 W752 I767 | L708-M745 HydrophobicContact CB-SD 3.47Å; L708-M745 WeakPolarHBondContact CB-SD 3.46Å; L708-M745 HydrophobicContact CD1-SD 4.46Å; L708-M745 HydrophobicContact CG-SD 4.43Å; I741-M745 WeakPolarHBondContact O-CB 3.49Å; I741-M745 PolarHBondContact O-N 3.48Å; M745-L748 HydrophobicContact CE-CB 4.45Å; M745-L748 PolarHBondContact O-N 3.33Å; M745-A749 VanDerWaalsContact O-CB 3.3Å; M745-A749 WeakPolarHBondContact O-CB 3Å; M745-A749 PolarHBondContact O-N 3.42Å; M745-W752 HydrophobicContact CE-CH2 3.39Å; M745-W752 HydrophobicContact CE-CZ2 4.29Å; M745-W752 HydrophobicContact CE-CZ3 3.59Å; M745-I767 HydrophobicContact CE-CD1 3.5Å; M745-I767 HydrophobicContact SD-CD1 4.34Å |
| 746 | V | 72.9 | Confident | 75.7 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -53.3 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | I741 Y742 T744 L748 A749 C750 F782 | I741-V746 HydrophobicContact CG2-CG2 3.52Å; I741-V746 PolarHBondContact O-N 3.26Å; Y742-V746 HydrophobicContact CD1-CG2 3.9Å; Y742-V746 HydrophobicContact CE1-CG2 4.03Å; T744-V746 PolarHBondContact O-N 3.15Å; V746-L748 PolarHBondContact O-N 2.97Å; V746-A749 PolarHBondContact O-N 3.49Å; V746-C750 PolarHBondContact O-N 3.08Å; V746-C750 PolarHBondContact O-SG 3.11Å; V746-F782 HydrophobicContact CB-CE1 4.49Å; V746-F782 HydrophobicContact CG1-CD1 4.14Å; V746-F782 HydrophobicContact CG1-CE1 3.2Å; V746-F782 HydrophobicContact CG1-CZ 3.61Å; V746-F782 HydrophobicContact CG2-CZ 4.2Å |
| 747 | G | 74.4 | Confident | 76.1 | Confident | 52 Ų | 52 | 41.8 Ų | 41.8 | 54% | 0.536 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.9 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T744 C750 A751 | T744-G747 PolarHBondContact O-N 2.98Å; G747-C750 WeakPolarHBondContact O-CB 3.34Å; G747-A751 PolarHBondContact O-N 2.82Å; G747-A751 VanDerWaalsContact O-N 3.14Å |
| 748 | L | 80 | Confident | 76.2 | Confident | 73 Ų | 73 | 45.3 Ų | 45.3 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.4 | -47 | 173.5 | -71.3 | 171.9 | 0 | 0 | 0 | 112.9 | T744 M745 V746 C750 A751 W752 | T744-L748 PolarHBondContact O-N 3.35Å; T744-L748 VanDerWaalsContact O-N 3.15Å; M745-L748 HydrophobicContact CE-CB 4.45Å; M745-L748 PolarHBondContact O-N 3.33Å; V746-L748 PolarHBondContact O-N 2.97Å; L748-C750 PolarHBondContact O-N 2.75Å; L748-A751 CarbonylContact O-C 3.15Å; L748-A751 WeakPolarHBondContact O-CB 3.46Å; L748-A751 PolarHBondContact O-N 3.12Å; L748-W752 HydrophobicContact CB-CH2 4.47Å; L748-W752 HydrophobicContact CB-CZ2 3.87Å; L748-W752 HydrophobicContact CD1-CZ2 4.3Å; L748-W752 WeakPolarHBondContact O-CB 3.3Å; L748-W752 VanDerWaalsContact O-CD1 3.31Å; L748-W752 PolarHBondContact O-N 3.48Å |
| 749 | A | 82.1 | Confident | 76 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.8 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M745 V746 W752 C753 I767 L768 | M745-A749 VanDerWaalsContact O-CB 3.3Å; M745-A749 WeakPolarHBondContact O-CB 3Å; M745-A749 PolarHBondContact O-N 3.42Å; V746-A749 PolarHBondContact O-N 3.49Å; A749-W752 PolarHBondContact O-N 2.86Å; A749-C753 PolarHBondContact O-N 3.25Å; A749-C753 PolarHBondContact O-SG 2.87Å; A749-I767 HydrophobicContact CB-CB 4.14Å; A749-I767 HydrophobicContact CB-CD1 4.19Å; A749-I767 HydrophobicContact CB-CG2 4.03Å; A749-L768 HydrophobicContact CB-CD2 4.46Å; A749-L768 HydrophobicContact CB-CG 4.36Å |
| 750 | C | 81.2 | Confident | 76.4 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 173.7 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | V746 G747 L748 W789 | V746-C750 PolarHBondContact O-N 3.08Å; V746-C750 PolarHBondContact O-SG 3.11Å; G747-C750 WeakPolarHBondContact O-CB 3.34Å; L748-C750 PolarHBondContact O-N 2.75Å; C750-W789 HydrophobicContact CB-CH2 3.8Å; C750-W789 HydrophobicContact CB-CZ2 3.65Å; C750-W789 WeakPolarHBondContact SG-CH2 3.5Å; C750-W789 WeakPolarHBondContact SG-CZ2 3.45Å |
| 751 | A | 81.2 | Confident | 77.2 | Confident | 56 Ų | 56 | 42.2 Ų | 42.2 | 46% | 0.463 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G747 L748 C753 D754 | G747-A751 PolarHBondContact O-N 2.82Å; G747-A751 VanDerWaalsContact O-N 3.14Å; L748-A751 CarbonylContact O-C 3.15Å; L748-A751 WeakPolarHBondContact O-CB 3.46Å; L748-A751 PolarHBondContact O-N 3.12Å; A751-C753 VanDerWaalsContact C-N 3.35Å; A751-C753 PolarHBondContact O-N 3.41Å; A751-D754 PolarHBondContact O-N 2.68Å |
| 752 | W | 85.9 | Confident | 77.9 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 178.5 | -64.7 | -12.1 | 0 | 0 | 0 | 112.3 | L712 M745 L748 A749 D754 T755 V760 Y761 I767 | L712-W752 HydrophobicContact CD1-CH2 3.54Å; L712-W752 HydrophobicContact CD1-CZ2 3.12Å; L712-W752 HydrophobicContact CD1-CZ3 4.42Å; L712-W752 HydrophobicContact CD2-CD2 3.83Å; L712-W752 HydrophobicContact CD2-CE3 4.22Å; L712-W752 HydrophobicContact CD2-CG 4.31Å; L712-W752 HydrophobicContact CD2-CH2 4.26Å; L712-W752 HydrophobicContact CD2-CZ2 3.9Å; L712-W752 HydrophobicContact CD2-CZ3 4.39Å; L712-W752 HydrophobicContact CG-CD2 4.18Å; L712-W752 HydrophobicContact CG-CE3 4.24Å; L712-W752 HydrophobicContact CG-CH2 3.52Å; L712-W752 HydrophobicContact CG-CZ2 3.46Å; L712-W752 VanDerWaalsContact CG-CZ2 3.46Å; L712-W752 HydrophobicContact CG-CZ3 3.91Å; M745-W752 HydrophobicContact CE-CH2 3.39Å; M745-W752 HydrophobicContact CE-CZ2 4.29Å; M745-W752 HydrophobicContact CE-CZ3 3.59Å; L748-W752 HydrophobicContact CB-CH2 4.47Å; L748-W752 HydrophobicContact CB-CZ2 3.87Å; L748-W752 HydrophobicContact CD1-CZ2 4.3Å; L748-W752 WeakPolarHBondContact O-CB 3.3Å; L748-W752 VanDerWaalsContact O-CD1 3.31Å; L748-W752 PolarHBondContact O-N 3.48Å; A749-W752 PolarHBondContact O-N 2.86Å; W752-D754 PolarHBondContact O-N 3.03Å; W752-T755 WeakPolarHBondContact O-CB 3.09Å; W752-T755 WeakPolarHBondContact O-CG2 3.43Å; W752-T755 PolarHBondContact O-N 2.9Å; W752-T755 VanDerWaalsContact O-N 3.12Å; W752-T755 PolarHBondContact O-OG1 3.1Å; W752-V760 HydrophobicContact CB-CG1 3.69Å; W752-V760 HydrophobicContact CG-CG1 3.79Å; W752-Y761 VanDerWaalsContact O-CA 3.25Å; W752-Y761 WeakPolarHBondContact O-CA 3.17Å; W752-Y761 WeakPolarHBondContact O-CB 3.3Å; W752-I767 HydrophobicContact CE3-CD1 4.32Å; W752-I767 HydrophobicContact CZ3-CD1 3.76Å |
| 753 | C | 86.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.5 | -24.7 | 176.7 | -75.6 | 0 | 0 | 0 | 0 | 114.2 | A749 A751 T755 A765 G831 F832 | A749-C753 PolarHBondContact O-N 3.25Å; A749-C753 PolarHBondContact O-SG 2.87Å; A751-C753 VanDerWaalsContact C-N 3.35Å; A751-C753 PolarHBondContact O-N 3.41Å; C753-T755 VanDerWaalsContact C-N 3.31Å; C753-A765 PolarHBondContact SG-N 2.66Å; C753-A765 VanDerWaalsContact SG-N 3.38Å; C753-G831 PolarHBondContact O-N 3.22Å; C753-G831 VanDerWaalsContact O-N 3.08Å; C753-F832 HydrophobicContact CB-CD2 3.39Å; C753-F832 HydrophobicContact CB-CE2 3.25Å; C753-F832 HydrophobicContact CB-CG 4.08Å; C753-F832 HydrophobicContact CB-CZ 3.91Å |
| 754 | D | 85.6 | Confident | 80.2 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 0.7 | 178.4 | -84.7 | -30 | 0 | 0 | 0 | 113.4 | A751 W752 K793 F826 Q827 S828 F832 | A751-D754 PolarHBondContact O-N 2.68Å; W752-D754 PolarHBondContact O-N 3.03Å; D754-K793 IonicContact OD1-NZ 2.69Å; D754-K793 IonicContact OD2-NZ 2.74Å; D754-K793 PolarHBondContact OD2-NZ 3.4Å; D754-F826 CarbonylContact O-C 3.49Å; D754-Q827 CarbonylContact O-C 3.5Å; D754-Q827 VanDerWaalsContact O-CA 3.31Å; D754-Q827 WeakPolarHBondContact O-CA 3.02Å; D754-Q827 PolarHBondContact O-N 3.05Å; D754-S828 PolarHBondContact O-N 2.79Å; D754-F832 VanDerWaalsContact OD1-CE2 3.28Å; D754-F832 WeakPolarHBondContact OD1-CE2 3.37Å |
| 755 | T | 82.6 | Confident | 81.5 | Confident | 32 Ų | 32 | 33.4 Ų | 33.4 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -88.9 | 152.5 | -179.2 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | W752 C753 W757 V760 S828 | W752-T755 WeakPolarHBondContact O-CB 3.09Å; W752-T755 WeakPolarHBondContact O-CG2 3.43Å; W752-T755 PolarHBondContact O-N 2.9Å; W752-T755 VanDerWaalsContact O-N 3.12Å; W752-T755 PolarHBondContact O-OG1 3.1Å; C753-T755 VanDerWaalsContact C-N 3.31Å; T755-W757 VanDerWaalsContact C-N 3.31Å; T755-V760 HydrophobicContact CG2-CG1 4.01Å; T755-V760 WeakPolarHBondContact OG1-CB 3.46Å; T755-V760 WeakPolarHBondContact OG1-CG1 3.37Å; T755-S828 PolarHBondContact O-OG 3.33Å |
| 756 | P | 73.4 | Confident | 82.3 | Confident | 43 Ų | 43 | 33.8 Ų | 33.8 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -81 | -8.9 | 176.1 | 31.2 | -35.7 | 0 | 0 | 0 | 113.6 | Q825 | P756-Q825 VanDerWaalsContact CD-O 3.32Å; P756-Q825 WeakPolarHBondContact CD-O 3.33Å; P756-Q825 WeakPolarHBondContact CG-O 3.3Å |
| 757 | W | 78.7 | Confident | 83 | Confident | 182 Ų | 182 | 33.3 Ų | 33.3 | 69% | 0.689 | 20% | 0.196 | S | C | * | . | trans | -85 | 121.1 | -171.4 | -49.6 | 81.5 | 0 | 0 | 0 | 111.3 | T755 S759 V760 Y761 | T755-W757 VanDerWaalsContact C-N 3.31Å; W757-S759 PolarHBondContact O-N 3.25Å; W757-V760 HydrophobicContact CB-CB 4.22Å; W757-V760 HydrophobicContact CB-CG2 4.03Å; W757-V760 PolarHBondContact O-N 3.22Å; W757-Y761 VanDerWaalsContact C-CD1 3.48Å; W757-Y761 WeakPolarHBondContact O-CD1 3.36Å; W757-Y761 PolarHBondContact O-N 3.01Å | ||
| 758 | C | 78.5 | Confident | 83.5 | Confident | 74 Ų | 74 | 30.9 Ų | 30.9 | 50% | 0.5 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -52.8 | -49.4 | -173.1 | -167.1 | 0 | 0 | 0 | 0 | 114.8 | V760 Y761 T762 | C758-V760 VanDerWaalsContact C-N 3.25Å; C758-V760 PolarHBondContact O-N 2.86Å; C758-Y761 HydrophobicContact CB-CE1 4.05Å; C758-Y761 PolarHBondContact SG-OH 2.85Å; C758-T762 VanDerWaalsContact O-CB 3.28Å; C758-T762 WeakPolarHBondContact O-CB 3.39Å; C758-T762 WeakPolarHBondContact O-CG2 3.32Å; C758-T762 PolarHBondContact O-N 3.38Å; C758-T762 VanDerWaalsContact O-N 3.1Å; C758-T762 PolarHBondContact O-OG1 3.43Å |
| 759 | S | 71.7 | Confident | 83.9 | Confident | 55 Ų | 55 | 28 Ų | 28 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.4 | -33 | 179.3 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | Q719 W757 T762 S763 | Q719-S759 PolarHBondContact NE2-O 2.89Å; Q719-S759 VanDerWaalsContact NE2-O 3.12Å; W757-S759 PolarHBondContact O-N 3.25Å; S759-T762 PolarHBondContact O-OG1 3.02Å; S759-T762 VanDerWaalsContact O-OG1 3.12Å; S759-S763 PolarHBondContact O-N 3.42Å; S759-S763 PolarHBondContact O-OG 3.28Å |
| 760 | V | 82.7 | Confident | 84.1 | Confident | 29 Ų | 29 | 28.8 Ų | 28.8 | 18% | 0.176 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -81.9 | -52.7 | -175.3 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | L712 W752 T755 W757 C758 T762 S763 G764 | L712-V760 HydrophobicContact CD2-CG1 4.02Å; L712-V760 HydrophobicContact CD2-CG2 4.28Å; W752-V760 HydrophobicContact CB-CG1 3.69Å; W752-V760 HydrophobicContact CG-CG1 3.79Å; T755-V760 HydrophobicContact CG2-CG1 4.01Å; T755-V760 WeakPolarHBondContact OG1-CB 3.46Å; T755-V760 WeakPolarHBondContact OG1-CG1 3.37Å; W757-V760 HydrophobicContact CB-CB 4.22Å; W757-V760 HydrophobicContact CB-CG2 4.03Å; W757-V760 PolarHBondContact O-N 3.22Å; C758-V760 VanDerWaalsContact C-N 3.25Å; C758-V760 PolarHBondContact O-N 2.86Å; V760-T762 VanDerWaalsContact C-N 3.28Å; V760-T762 PolarHBondContact O-N 3.06Å; V760-S763 WeakPolarHBondContact O-CB 3.44Å; V760-S763 PolarHBondContact O-N 3.24Å; V760-S763 VanDerWaalsContact O-N 3.13Å; V760-G764 PolarHBondContact O-N 2.99Å; V760-G764 VanDerWaalsContact O-N 3.13Å |
| 761 | Y | 87.3 | Confident | 84.2 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -29.9 | -179.4 | 76.5 | -115 | 0 | 0 | 0 | 112.5 | W752 W757 C758 G764 A765 L830 L834 | W752-Y761 VanDerWaalsContact O-CA 3.25Å; W752-Y761 WeakPolarHBondContact O-CA 3.17Å; W752-Y761 WeakPolarHBondContact O-CB 3.3Å; W757-Y761 VanDerWaalsContact C-CD1 3.48Å; W757-Y761 WeakPolarHBondContact O-CD1 3.36Å; W757-Y761 PolarHBondContact O-N 3.01Å; C758-Y761 HydrophobicContact CB-CE1 4.05Å; C758-Y761 PolarHBondContact SG-OH 2.85Å; Y761-G764 PolarHBondContact O-N 3.21Å; Y761-A765 VanDerWaalsContact O-CB 3.28Å; Y761-A765 WeakPolarHBondContact O-CB 3.26Å; Y761-A765 PolarHBondContact O-N 2.68Å; Y761-L830 HydrophobicContact CD1-CB 4.13Å; Y761-L830 HydrophobicContact CD1-CD1 4.37Å; Y761-L830 HydrophobicContact CD2-CB 4.15Å; Y761-L830 HydrophobicContact CE1-CB 4.19Å; Y761-L830 HydrophobicContact CE1-CD1 3.93Å; Y761-L830 HydrophobicContact CE2-CB 4.28Å; Y761-L830 HydrophobicContact CG-CB 4.14Å; Y761-L834 HydrophobicContact CD2-CD2 4.36Å; Y761-L834 HydrophobicContact CE2-CD2 4.18Å |
| 762 | T | 88.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 25.6 Ų | 25.6 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | 173.1 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | Q719 C758 S759 V760 A765 N766 L834 | Q719-T762 PolarHBondContact NE2-OG1 3.33Å; Q719-T762 PolarHBondContact OE1-O 3.27Å; Q719-T762 PolarHBondContact OE1-OG1 3.41Å; C758-T762 VanDerWaalsContact O-CB 3.28Å; C758-T762 WeakPolarHBondContact O-CB 3.39Å; C758-T762 WeakPolarHBondContact O-CG2 3.32Å; C758-T762 PolarHBondContact O-N 3.38Å; C758-T762 VanDerWaalsContact O-N 3.1Å; C758-T762 PolarHBondContact O-OG1 3.43Å; S759-T762 PolarHBondContact O-OG1 3.02Å; S759-T762 VanDerWaalsContact O-OG1 3.12Å; V760-T762 VanDerWaalsContact C-N 3.28Å; V760-T762 PolarHBondContact O-N 3.06Å; T762-A765 PolarHBondContact O-N 3.21Å; T762-N766 VanDerWaalsContact O-CB 3.25Å; T762-N766 WeakPolarHBondContact O-CB 3.32Å; T762-N766 PolarHBondContact O-N 3.43Å; T762-N766 PolarHBondContact O-ND2 2.92Å; T762-L834 HydrophobicContact CG2-CD2 3.74Å |
| 763 | S | 86.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 111 | L711 Q719 S759 V760 A765 N766 I767 | L711-S763 PolarHBondContact O-OG 3.37Å; Q719-S763 PolarHBondContact NE2-OG 3.05Å; Q719-S763 VanDerWaalsContact OE1-N 3.15Å; S759-S763 PolarHBondContact O-N 3.42Å; S759-S763 PolarHBondContact O-OG 3.28Å; V760-S763 WeakPolarHBondContact O-CB 3.44Å; V760-S763 PolarHBondContact O-N 3.24Å; V760-S763 VanDerWaalsContact O-N 3.13Å; S763-A765 VanDerWaalsContact C-N 3.32Å; S763-A765 PolarHBondContact O-N 3.21Å; S763-N766 PolarHBondContact O-N 2.93Å; S763-I767 WeakPolarHBondContact O-CG1 3.32Å; S763-I767 PolarHBondContact O-N 3.11Å |
| 764 | G | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V760 Y761 N766 I767 L768 | V760-G764 PolarHBondContact O-N 2.99Å; V760-G764 VanDerWaalsContact O-N 3.13Å; Y761-G764 PolarHBondContact O-N 3.21Å; G764-N766 PolarHBondContact O-N 2.89Å; G764-I767 PolarHBondContact O-N 2.98Å; G764-L768 WeakPolarHBondContact O-CG 3.39Å; G764-L768 PolarHBondContact O-N 2.84Å; G764-L768 VanDerWaalsContact O-N 3.1Å |
| 765 | A | 90.6 | Very high | 83 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | C753 Y761 T762 S763 I767 L768 T769 G831 L834 T835 | C753-A765 PolarHBondContact SG-N 2.66Å; C753-A765 VanDerWaalsContact SG-N 3.38Å; Y761-A765 VanDerWaalsContact O-CB 3.28Å; Y761-A765 WeakPolarHBondContact O-CB 3.26Å; Y761-A765 PolarHBondContact O-N 2.68Å; T762-A765 PolarHBondContact O-N 3.21Å; S763-A765 VanDerWaalsContact C-N 3.32Å; S763-A765 PolarHBondContact O-N 3.21Å; A765-I767 VanDerWaalsContact C-N 3.3Å; A765-I767 PolarHBondContact O-N 3.07Å; A765-L768 PolarHBondContact O-N 3.1Å; A765-T769 WeakPolarHBondContact O-CB 3.42Å; A765-T769 PolarHBondContact O-N 3.01Å; A765-T769 PolarHBondContact O-OG1 2.87Å; A765-G831 WeakPolarHBondContact CB-O 3.46Å; A765-L834 HydrophobicContact CB-CB 4Å; A765-L834 HydrophobicContact CB-CD2 3.67Å; A765-L834 HydrophobicContact CB-CG 3.85Å; A765-T835 WeakPolarHBondContact CA-OG1 3.5Å; A765-T835 WeakPolarHBondContact CB-OG1 3.36Å |
| 766 | N | 88.8 | Confident | 82.7 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | -178.6 | -74.5 | -25.2 | 0 | 0 | 0 | 111.7 | Q719 L723 T762 S763 G764 F770 Q838 | Q719-N766 PolarHBondContact OE1-ND2 2.88Å; L723-N766 HydrophobicContact CD1-CB 3.57Å; L723-N766 WeakPolarHBondContact CD1-O 3.31Å; T762-N766 VanDerWaalsContact O-CB 3.25Å; T762-N766 WeakPolarHBondContact O-CB 3.32Å; T762-N766 PolarHBondContact O-N 3.43Å; T762-N766 PolarHBondContact O-ND2 2.92Å; S763-N766 PolarHBondContact O-N 2.93Å; G764-N766 PolarHBondContact O-N 2.89Å; N766-F770 WeakPolarHBondContact O-CB 3.38Å; N766-F770 PolarHBondContact O-N 3.48Å; N766-Q838 PolarHBondContact OD1-NE2 2.86Å; N766-Q838 PolarHBondContact OD1-OE1 3.11Å |
| 767 | I | 87.2 | Confident | 82.5 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.2 | -48.8 | 174.2 | -66.9 | 168 | 0 | 0 | 0 | 111.1 | L711 M745 A749 W752 S763 G764 A765 F770 C771 | L711-I767 HydrophobicContact CD1-CD1 3.64Å; L711-I767 HydrophobicContact CD1-CG1 3.49Å; L711-I767 VanDerWaalsContact CD1-CG1 3.49Å; M745-I767 HydrophobicContact CE-CD1 3.5Å; M745-I767 HydrophobicContact SD-CD1 4.34Å; A749-I767 HydrophobicContact CB-CB 4.14Å; A749-I767 HydrophobicContact CB-CD1 4.19Å; A749-I767 HydrophobicContact CB-CG2 4.03Å; W752-I767 HydrophobicContact CE3-CD1 4.32Å; W752-I767 HydrophobicContact CZ3-CD1 3.76Å; S763-I767 WeakPolarHBondContact O-CG1 3.32Å; S763-I767 PolarHBondContact O-N 3.11Å; G764-I767 PolarHBondContact O-N 2.98Å; A765-I767 VanDerWaalsContact C-N 3.3Å; A765-I767 PolarHBondContact O-N 3.07Å; I767-F770 WeakPolarHBondContact O-CB 3.35Å; I767-F770 PolarHBondContact O-N 2.92Å; I767-C771 PolarHBondContact O-N 3.43Å; I767-C771 PolarHBondContact O-SG 2.9Å |
| 768 | L | 86.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | -179 | -67.2 | 175.1 | 0 | 0 | 0 | 111.4 | A749 G764 A765 F770 C771 S772 W777 W789 F790 T835 | A749-L768 HydrophobicContact CB-CD2 4.46Å; A749-L768 HydrophobicContact CB-CG 4.36Å; G764-L768 WeakPolarHBondContact O-CG 3.39Å; G764-L768 PolarHBondContact O-N 2.84Å; G764-L768 VanDerWaalsContact O-N 3.1Å; A765-L768 PolarHBondContact O-N 3.1Å; L768-F770 VanDerWaalsContact C-N 3.34Å; L768-F770 PolarHBondContact O-N 3.17Å; L768-C771 PolarHBondContact O-N 3.09Å; L768-S772 WeakPolarHBondContact O-CB 3.42Å; L768-S772 PolarHBondContact O-N 3.26Å; L768-S772 PolarHBondContact O-OG 2.95Å; L768-W777 HydrophobicContact CD2-CZ3 4.16Å; L768-W789 HydrophobicContact CD1-CH2 4.11Å; L768-W789 HydrophobicContact CD1-CZ3 3.97Å; L768-W789 HydrophobicContact CD2-CH2 4.49Å; L768-W789 HydrophobicContact CD2-CZ3 4.43Å; L768-F790 HydrophobicContact CD1-CZ 4.46Å; L768-T835 HydrophobicContact CB-CG2 3.54Å |
| 769 | T | 87.6 | Confident | 80.9 | Confident | 12 Ų | 12 | 18.5 Ų | 18.5 | 7% | 0.074 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.8 | -48.6 | 173.4 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | A765 C771 S772 I773 T835 Q838 I839 | A765-T769 WeakPolarHBondContact O-CB 3.42Å; A765-T769 PolarHBondContact O-N 3.01Å; A765-T769 PolarHBondContact O-OG1 2.87Å; T769-C771 PolarHBondContact O-N 2.97Å; T769-S772 PolarHBondContact O-N 3.17Å; T769-I773 HydrophobicContact CG2-CD1 3.45Å; T769-I773 VanDerWaalsContact CG2-CD1 3.45Å; T769-I773 HydrophobicContact CG2-CG1 4.35Å; T769-I773 WeakPolarHBondContact O-CB 3.41Å; T769-I773 WeakPolarHBondContact O-CG1 3.2Å; T769-I773 PolarHBondContact O-N 3.39Å; T769-T835 WeakPolarHBondContact OG1-CA 3.48Å; T769-Q838 HydrophobicContact CG2-CB 3.73Å; T769-Q838 PolarHBondContact OG1-OE1 3.39Å; T769-I839 HydrophobicContact CG2-CG1 4.45Å |
| 770 | F | 86 | Confident | 80.4 | Confident | 18 Ų | 18 | 20.3 Ų | 20.3 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 178.4 | -175.4 | -90.8 | 0 | 0 | 0 | 112.2 | L723 I726 Y727 L737 N766 I767 L768 S772 N774 L776 | L723-F770 HydrophobicContact CB-CD2 3.88Å; L723-F770 HydrophobicContact CB-CE2 4.21Å; L723-F770 HydrophobicContact CD1-CB 4.3Å; L723-F770 HydrophobicContact CD2-CB 4.13Å; L723-F770 HydrophobicContact CD2-CD1 4.38Å; L723-F770 HydrophobicContact CD2-CD2 3.99Å; L723-F770 HydrophobicContact CD2-CE2 4.49Å; L723-F770 HydrophobicContact CD2-CG 3.91Å; L723-F770 HydrophobicContact CG-CD2 4.38Å; L723-F770 VanDerWaalsContact O-CE2 3.27Å; L723-F770 WeakPolarHBondContact O-CE2 3.3Å; I726-F770 HydrophobicContact CB-CZ 4.41Å; I726-F770 HydrophobicContact CG2-CE1 4.15Å; I726-F770 HydrophobicContact CG2-CZ 3.84Å; Y727-F770 HydrophobicContact CD2-CE2 4.37Å; L737-F770 HydrophobicContact CD2-CE1 3.91Å; N766-F770 WeakPolarHBondContact O-CB 3.38Å; N766-F770 PolarHBondContact O-N 3.48Å; I767-F770 WeakPolarHBondContact O-CB 3.35Å; I767-F770 PolarHBondContact O-N 2.92Å; L768-F770 VanDerWaalsContact C-N 3.34Å; L768-F770 PolarHBondContact O-N 3.17Å; F770-S772 VanDerWaalsContact C-N 3.33Å; F770-S772 PolarHBondContact O-N 3.45Å; F770-N774 WeakPolarHBondContact CD2-ND2 3.49Å; F770-N774 WeakPolarHBondContact CE2-ND2 3.02Å; F770-N774 VanDerWaalsContact O-CB 3.29Å; F770-N774 WeakPolarHBondContact O-CB 3.46Å; F770-N774 PolarHBondContact O-N 2.91Å; F770-N774 PolarHBondContact O-ND2 3.47Å; F770-L776 HydrophobicContact CD1-CD1 3.89Å; F770-L776 HydrophobicContact CE1-CD1 3.64Å |
| 771 | C | 83.1 | Confident | 79.3 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -38.9 | 179.1 | -66 | 0 | 0 | 0 | 0 | 112.3 | I767 L768 T769 L776 W777 | I767-C771 PolarHBondContact O-N 3.43Å; I767-C771 PolarHBondContact O-SG 2.9Å; L768-C771 PolarHBondContact O-N 3.09Å; T769-C771 PolarHBondContact O-N 2.97Å; C771-L776 HydrophobicContact CB-CB 4.33Å; C771-L776 WeakPolarHBondContact O-CB 3.22Å; C771-L776 PolarHBondContact O-N 2.83Å; C771-W777 PolarHBondContact O-N 3.41Å |
| 772 | S | 80.2 | Confident | 77.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.3 | -45.2 | -176.4 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | L768 T769 F770 N774 | L768-S772 WeakPolarHBondContact O-CB 3.42Å; L768-S772 PolarHBondContact O-N 3.26Å; L768-S772 PolarHBondContact O-OG 2.95Å; T769-S772 PolarHBondContact O-N 3.17Å; F770-S772 VanDerWaalsContact C-N 3.33Å; F770-S772 PolarHBondContact O-N 3.45Å; S772-N774 VanDerWaalsContact C-N 3.29Å; S772-N774 PolarHBondContact O-N 3.1Å |
| 773 | I | 78.7 | Confident | 76.2 | Confident | 31 Ų | 31 | 30.1 Ų | 30.1 | 16% | 0.159 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.2 | -22.8 | -175.1 | -67.1 | 172.6 | 0 | 0 | 0 | 112.6 | T769 I839 T842 | T769-I773 HydrophobicContact CG2-CD1 3.45Å; T769-I773 VanDerWaalsContact CG2-CD1 3.45Å; T769-I773 HydrophobicContact CG2-CG1 4.35Å; T769-I773 WeakPolarHBondContact O-CB 3.41Å; T769-I773 WeakPolarHBondContact O-CG1 3.2Å; T769-I773 PolarHBondContact O-N 3.39Å; I773-I839 HydrophobicContact CG1-CG1 4.38Å; I773-T842 HydrophobicContact CD1-CG2 3.83Å; I773-T842 HydrophobicContact CG2-CG2 4.25Å |
| 774 | N | 79 | Confident | 74.9 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 16.4 | -171.3 | -68.6 | -37.2 | 0 | 0 | 0 | 114.1 | Y727 I731 F770 S772 L776 | Y727-N774 VanDerWaalsContact CE2-OD1 3.24Å; Y727-N774 WeakPolarHBondContact CE2-OD1 3.33Å; I731-N774 HydrophobicContact CD1-CB 3.73Å; F770-N774 WeakPolarHBondContact CD2-ND2 3.49Å; F770-N774 WeakPolarHBondContact CE2-ND2 3.02Å; F770-N774 VanDerWaalsContact O-CB 3.29Å; F770-N774 WeakPolarHBondContact O-CB 3.46Å; F770-N774 PolarHBondContact O-N 2.91Å; F770-N774 PolarHBondContact O-ND2 3.47Å; S772-N774 VanDerWaalsContact C-N 3.29Å; S772-N774 PolarHBondContact O-N 3.1Å; N774-L776 HydrophobicContact CB-CD1 3.87Å; N774-L776 HydrophobicContact CB-CG 4.18Å; N774-L776 PolarHBondContact O-N 3.21Å |
| 775 | E | 75.7 | Confident | 74 | Confident | 84 Ų | 84 | 33.4 Ų | 33.4 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.1 | 179.3 | -52.3 | 173.8 | 176.2 | 0 | 0 | 113.4 | K734 D861 | K734-E775 IonicContact NZ-OE2 2.7Å; K734-E775 PolarHBondContact NZ-OE2 3.28Å; E775-D861 HydrophobicContact CG-CB 4.24Å |
| 776 | L | 76.8 | Confident | 73.1 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -89.4 | -17.2 | 177.8 | -63.1 | 160 | 0 | 0 | 0 | 110.9 | K734 L737 K738 Y742 F770 C771 N774 | K734-L776 HydrophobicContact CB-CD2 4.11Å; K734-L776 HydrophobicContact CG-CD2 4.07Å; L737-L776 HydrophobicContact CB-CD2 4.28Å; L737-L776 HydrophobicContact CD2-CD1 3.17Å; L737-L776 HydrophobicContact CD2-CD2 3.55Å; L737-L776 HydrophobicContact CD2-CG 3.94Å; K738-L776 WeakPolarHBondContact CE-O 3.43Å; K738-L776 HydrophobicContact CG-CD2 4.18Å; Y742-L776 WeakPolarHBondContact CE2-O 3.49Å; Y742-L776 VanDerWaalsContact OH-C 3.31Å; Y742-L776 PolarHBondContact OH-O 3.49Å; F770-L776 HydrophobicContact CD1-CD1 3.89Å; F770-L776 HydrophobicContact CE1-CD1 3.64Å; C771-L776 HydrophobicContact CB-CB 4.33Å; C771-L776 WeakPolarHBondContact O-CB 3.22Å; C771-L776 PolarHBondContact O-N 2.83Å; N774-L776 HydrophobicContact CB-CD1 3.87Å; N774-L776 HydrophobicContact CB-CG 4.18Å; N774-L776 PolarHBondContact O-N 3.21Å | ||
| 777 | W | 70.4 | Confident | 72.5 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | trans | -64 | 128.4 | 176.8 | -157.3 | -78.4 | 0 | 0 | 0 | 112.4 | Y742 L768 C771 F782 I786 W789 F790 | Y742-W777 WeakPolarHBondContact OH-CA 3.45Å; L768-W777 HydrophobicContact CD2-CZ3 4.16Å; C771-W777 PolarHBondContact O-N 3.41Å; W777-F782 AromaticContact CD1-CD2 3.71Å; W777-F782 AromaticContact CD1-CE2 3.79Å; W777-F782 AromaticContact CD2-CD2 3.86Å; W777-F782 HydrophobicContact CD2-CD2 3.86Å; W777-F782 HydrophobicContact CD2-CE1 4.39Å; W777-F782 AromaticContact CD2-CE2 3.28Å; W777-F782 HydrophobicContact CD2-CE2 3.28Å; W777-F782 AromaticContact CD2-CZ 3.62Å; W777-F782 HydrophobicContact CD2-CZ 3.62Å; W777-F782 AromaticContact CE2-CD1 4Å; W777-F782 AromaticContact CE2-CD2 3.31Å; W777-F782 AromaticContact CE2-CE1 3.89Å; W777-F782 AromaticContact CE2-CE2 3.2Å; W777-F782 AromaticContact CE2-CG 3.72Å; W777-F782 AromaticContact CE2-CZ 3.53Å; W777-F782 HydrophobicContact CE3-CE1 4.39Å; W777-F782 AromaticContact CE3-CE2 3.77Å; W777-F782 HydrophobicContact CE3-CE2 3.77Å; W777-F782 AromaticContact CE3-CZ 3.62Å; W777-F782 HydrophobicContact CE3-CZ 3.62Å; W777-F782 HydrophobicContact CG-CD2 4.12Å; W777-F782 AromaticContact CG-CE2 3.71Å; W777-F782 HydrophobicContact CG-CE2 3.71Å; W777-F782 HydrophobicContact CG-CZ 4.48Å; W777-F782 AromaticContact CH2-CD1 3.97Å; W777-F782 HydrophobicContact CH2-CD1 3.97Å; W777-F782 AromaticContact CH2-CE1 3.4Å; W777-F782 HydrophobicContact CH2-CE1 3.4Å; W777-F782 VanDerWaalsContact CH2-CE1 3.4Å; W777-F782 HydrophobicContact CH2-CE2 4.1Å; W777-F782 AromaticContact CH2-CZ 3.51Å; W777-F782 HydrophobicContact CH2-CZ 3.51Å; W777-F782 HydrophobicContact CZ2-CB 4.5Å; W777-F782 AromaticContact CZ2-CD1 3.51Å; W777-F782 HydrophobicContact CZ2-CD1 3.51Å; W777-F782 AromaticContact CZ2-CD2 3.75Å; W777-F782 HydrophobicContact CZ2-CD2 3.75Å; W777-F782 AromaticContact CZ2-CE1 3.39Å; W777-F782 HydrophobicContact CZ2-CE1 3.39Å; W777-F782 AromaticContact CZ2-CE2 3.66Å; W777-F782 HydrophobicContact CZ2-CE2 3.66Å; W777-F782 AromaticContact CZ2-CG 3.68Å; W777-F782 HydrophobicContact CZ2-CG 3.68Å; W777-F782 AromaticContact CZ2-CZ 3.5Å; W777-F782 HydrophobicContact CZ2-CZ 3.5Å; W777-F782 AromaticContact CZ3-CE1 3.92Å; W777-F782 HydrophobicContact CZ3-CE1 3.92Å; W777-F782 HydrophobicContact CZ3-CE2 4.15Å; W777-F782 AromaticContact CZ3-CZ 3.56Å; W777-F782 HydrophobicContact CZ3-CZ 3.56Å; W777-F782 AromaticContact NE1-CD2 3.19Å; W777-F782 AromaticContact NE1-CE2 3.5Å; W777-F782 AromaticContact NE1-CG 3.73Å; W777-I786 HydrophobicContact CB-CD1 3.78Å; W777-I786 HydrophobicContact CB-CG1 4.07Å; W777-I786 HydrophobicContact CD2-CD1 3.92Å; W777-I786 HydrophobicContact CD2-CG1 3.33Å; W777-I786 HydrophobicContact CE3-CD1 4.47Å; W777-I786 HydrophobicContact CE3-CG1 4.07Å; W777-I786 HydrophobicContact CG-CD1 3.58Å; W777-I786 HydrophobicContact CG-CG1 3.28Å; W777-I786 HydrophobicContact CZ2-CB 4.42Å; W777-I786 HydrophobicContact CZ2-CG1 4Å; W777-W789 HydrophobicContact CH2-CD2 4.48Å; W777-W789 HydrophobicContact CH2-CE3 4.02Å; W777-W789 HydrophobicContact CH2-CZ3 4.4Å; W777-W789 HydrophobicContact CZ2-CB 4.5Å; W777-F790 HydrophobicContact CH2-CE2 4.21Å; W777-F790 HydrophobicContact CZ3-CE2 4.38Å | ||
| 778 | G | 64.8 | Low | 72.1 | Confident | 16 Ų | 16 | 39.3 Ų | 39.3 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | trans | -130.3 | 119.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y742 A780 Y781 F782 | Y742-G778 PolarHBondContact OH-N 3.06Å; G778-A780 PolarHBondContact O-N 3.08Å; G778-A780 VanDerWaalsContact O-N 3.14Å; G778-Y781 PolarHBondContact O-N 2.95Å; G778-F782 WeakPolarHBondContact O-CD2 3.29Å; G778-F782 PolarHBondContact O-N 3.35Å | ||
| 779 | S | 58.3 | Low | 71.6 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.5 | -32.3 | -179.5 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | Y781 F782 G783 | S779-Y781 PolarHBondContact O-N 3.34Å; S779-F782 PolarHBondContact O-N 3.07Å; S779-G783 PolarHBondContact O-N 3.2Å; S779-G783 VanDerWaalsContact O-N 3.08Å |
| 780 | A | 62.2 | Low | 71.3 | Confident | 94 Ų | 94 | 41 Ų | 41 | 78% | 0.777 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -57.1 | -32.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G778 | G778-A780 PolarHBondContact O-N 3.08Å; G778-A780 VanDerWaalsContact O-N 3.14Å |
| 781 | Y | 57.5 | Low | 71.2 | Confident | 147 Ų | 147 | 40.2 Ų | 40.2 | 58% | 0.576 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -87.9 | -32.3 | -179.2 | -76.5 | -80.1 | 0 | 0 | 0 | 113.3 | Y742 G778 S779 | Y742-Y781 HydrophobicContact CD1-CD1 4.05Å; Y742-Y781 HydrophobicContact CD1-CD2 4.26Å; Y742-Y781 AromaticContact CD1-CG 3.7Å; Y742-Y781 HydrophobicContact CD1-CG 3.7Å; Y742-Y781 HydrophobicContact CD2-CD1 4.24Å; Y742-Y781 AromaticContact CD2-CD2 3.73Å; Y742-Y781 HydrophobicContact CD2-CD2 3.73Å; Y742-Y781 HydrophobicContact CD2-CE1 4.37Å; Y742-Y781 AromaticContact CD2-CE2 3.89Å; Y742-Y781 HydrophobicContact CD2-CE2 3.89Å; Y742-Y781 AromaticContact CD2-CG 3.92Å; Y742-Y781 HydrophobicContact CD2-CG 3.92Å; Y742-Y781 HydrophobicContact CE1-CD2 4.41Å; Y742-Y781 HydrophobicContact CE1-CG 4.12Å; Y742-Y781 AromaticContact CE2-CD2 3.88Å; Y742-Y781 HydrophobicContact CE2-CD2 3.88Å; Y742-Y781 HydrophobicContact CE2-CE2 4.27Å; Y742-Y781 HydrophobicContact CE2-CG 4.3Å; Y742-Y781 AromaticContact CG-CD1 3.73Å; Y742-Y781 HydrophobicContact CG-CD1 3.73Å; Y742-Y781 AromaticContact CG-CD2 3.96Å; Y742-Y781 HydrophobicContact CG-CD2 3.96Å; Y742-Y781 HydrophobicContact CG-CE1 4.13Å; Y742-Y781 HydrophobicContact CG-CE2 4.35Å; Y742-Y781 AromaticContact CG-CG 3.63Å; Y742-Y781 HydrophobicContact CG-CG 3.63Å; G778-Y781 PolarHBondContact O-N 2.95Å; S779-Y781 PolarHBondContact O-N 3.34Å |
| 782 | F | 54.7 | Low | 71.1 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -88.4 | -11.7 | -177 | -72.4 | -85.8 | 0 | 0 | 0 | 113.6 | Y742 V746 W777 G778 S779 A784 | Y742-F782 HydrophobicContact CE1-CD2 4.11Å; Y742-F782 AromaticContact CE1-CE2 3.41Å; Y742-F782 HydrophobicContact CE1-CE2 3.41Å; Y742-F782 VanDerWaalsContact CE1-CE2 3.41Å; Y742-F782 AromaticContact CE1-CZ 3.85Å; Y742-F782 HydrophobicContact CE1-CZ 3.85Å; Y742-F782 AromaticContact CZ-CE2 3.96Å; V746-F782 HydrophobicContact CB-CE1 4.49Å; V746-F782 HydrophobicContact CG1-CD1 4.14Å; V746-F782 HydrophobicContact CG1-CE1 3.2Å; V746-F782 HydrophobicContact CG1-CZ 3.61Å; V746-F782 HydrophobicContact CG2-CZ 4.2Å; W777-F782 AromaticContact CD1-CD2 3.71Å; W777-F782 AromaticContact CD1-CE2 3.79Å; W777-F782 AromaticContact CD2-CD2 3.86Å; W777-F782 HydrophobicContact CD2-CD2 3.86Å; W777-F782 HydrophobicContact CD2-CE1 4.39Å; W777-F782 AromaticContact CD2-CE2 3.28Å; W777-F782 HydrophobicContact CD2-CE2 3.28Å; W777-F782 AromaticContact CD2-CZ 3.62Å; W777-F782 HydrophobicContact CD2-CZ 3.62Å; W777-F782 AromaticContact CE2-CD1 4Å; W777-F782 AromaticContact CE2-CD2 3.31Å; W777-F782 AromaticContact CE2-CE1 3.89Å; W777-F782 AromaticContact CE2-CE2 3.2Å; W777-F782 AromaticContact CE2-CG 3.72Å; W777-F782 AromaticContact CE2-CZ 3.53Å; W777-F782 HydrophobicContact CE3-CE1 4.39Å; W777-F782 AromaticContact CE3-CE2 3.77Å; W777-F782 HydrophobicContact CE3-CE2 3.77Å; W777-F782 AromaticContact CE3-CZ 3.62Å; W777-F782 HydrophobicContact CE3-CZ 3.62Å; W777-F782 HydrophobicContact CG-CD2 4.12Å; W777-F782 AromaticContact CG-CE2 3.71Å; W777-F782 HydrophobicContact CG-CE2 3.71Å; W777-F782 HydrophobicContact CG-CZ 4.48Å; W777-F782 AromaticContact CH2-CD1 3.97Å; W777-F782 HydrophobicContact CH2-CD1 3.97Å; W777-F782 AromaticContact CH2-CE1 3.4Å; W777-F782 HydrophobicContact CH2-CE1 3.4Å; W777-F782 VanDerWaalsContact CH2-CE1 3.4Å; W777-F782 HydrophobicContact CH2-CE2 4.1Å; W777-F782 AromaticContact CH2-CZ 3.51Å; W777-F782 HydrophobicContact CH2-CZ 3.51Å; W777-F782 HydrophobicContact CZ2-CB 4.5Å; W777-F782 AromaticContact CZ2-CD1 3.51Å; W777-F782 HydrophobicContact CZ2-CD1 3.51Å; W777-F782 AromaticContact CZ2-CD2 3.75Å; W777-F782 HydrophobicContact CZ2-CD2 3.75Å; W777-F782 AromaticContact CZ2-CE1 3.39Å; W777-F782 HydrophobicContact CZ2-CE1 3.39Å; W777-F782 AromaticContact CZ2-CE2 3.66Å; W777-F782 HydrophobicContact CZ2-CE2 3.66Å; W777-F782 AromaticContact CZ2-CG 3.68Å; W777-F782 HydrophobicContact CZ2-CG 3.68Å; W777-F782 AromaticContact CZ2-CZ 3.5Å; W777-F782 HydrophobicContact CZ2-CZ 3.5Å; W777-F782 AromaticContact CZ3-CE1 3.92Å; W777-F782 HydrophobicContact CZ3-CE1 3.92Å; W777-F782 HydrophobicContact CZ3-CE2 4.15Å; W777-F782 AromaticContact CZ3-CZ 3.56Å; W777-F782 HydrophobicContact CZ3-CZ 3.56Å; W777-F782 AromaticContact NE1-CD2 3.19Å; W777-F782 AromaticContact NE1-CE2 3.5Å; W777-F782 AromaticContact NE1-CG 3.73Å; G778-F782 WeakPolarHBondContact O-CD2 3.29Å; G778-F782 PolarHBondContact O-N 3.35Å; S779-F782 PolarHBondContact O-N 3.07Å; F782-A784 VanDerWaalsContact CB-O 3.27Å; F782-A784 WeakPolarHBondContact CB-O 3.44Å; F782-A784 PolarHBondContact O-N 3.3Å |
| 783 | G | 56.2 | Low | 71.1 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 79% | 0.794 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 66.1 | -3.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | S779 | S779-G783 PolarHBondContact O-N 3.2Å; S779-G783 VanDerWaalsContact O-N 3.08Å |
| 784 | A | 59.7 | Low | 71.2 | Confident | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -152.6 | 156.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | F782 T788 | F782-A784 VanDerWaalsContact CB-O 3.27Å; F782-A784 WeakPolarHBondContact CB-O 3.44Å; F782-A784 PolarHBondContact O-N 3.3Å; A784-T788 HydrophobicContact CB-CG2 4.11Å |
| 785 | D | 70.3 | Confident | 71.3 | Confident | 42 Ų | 42 | 48 Ų | 48 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | trans | -69.7 | 165.4 | 172.7 | 60.4 | 28.1 | 0 | 0 | 0 | 112 | R787 T788 W789 M863 | D785-R787 PolarHBondContact O-N 3.1Å; D785-R787 WeakPolarHBondContact OD1-CB 2.99Å; D785-R787 PolarHBondContact OD1-N 3.46Å; D785-T788 PolarHBondContact O-N 2.91Å; D785-T788 WeakPolarHBondContact OD1-CB 3.4Å; D785-T788 PolarHBondContact OD1-N 3.13Å; D785-T788 PolarHBondContact OD1-OG1 3.15Å; D785-W789 PolarHBondContact O-N 3.44Å; D785-M863 HydrophobicContact CB-SD 3.61Å | ||
| 786 | I | 72.2 | Confident | 71.2 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -47.6 | -44.9 | 176.3 | -67.1 | 174.6 | 0 | 0 | 0 | 110.5 | W777 W789 F790 M863 L864 F867 | W777-I786 HydrophobicContact CB-CD1 3.78Å; W777-I786 HydrophobicContact CB-CG1 4.07Å; W777-I786 HydrophobicContact CD2-CD1 3.92Å; W777-I786 HydrophobicContact CD2-CG1 3.33Å; W777-I786 HydrophobicContact CE3-CD1 4.47Å; W777-I786 HydrophobicContact CE3-CG1 4.07Å; W777-I786 HydrophobicContact CG-CD1 3.58Å; W777-I786 HydrophobicContact CG-CG1 3.28Å; W777-I786 HydrophobicContact CZ2-CB 4.42Å; W777-I786 HydrophobicContact CZ2-CG1 4Å; I786-W789 PolarHBondContact O-N 2.96Å; I786-F790 HydrophobicContact CG2-CD2 3.67Å; I786-F790 HydrophobicContact CG2-CE2 3.83Å; I786-F790 WeakPolarHBondContact O-CD2 3.19Å; I786-F790 PolarHBondContact O-N 3.29Å; I786-F790 VanDerWaalsContact O-N 3.12Å; I786-M863 HydrophobicContact CD1-CB 4.42Å; I786-L864 HydrophobicContact CD1-CB 4.48Å; I786-L864 HydrophobicContact CD1-CD1 3.99Å; I786-L864 HydrophobicContact CG2-CD1 4.5Å; I786-F867 HydrophobicContact CG2-CB 4.26Å; I786-F867 HydrophobicContact CG2-CD1 4.22Å; I786-F867 HydrophobicContact CG2-CG 4.13Å |
| 787 | R | 75.9 | Confident | 70.9 | Confident | 83 Ų | 83 | 51 Ų | 51 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -56.3 | -173.8 | 174 | -175.9 | 169.2 | -167.5 | -4 | 111.1 | D785 W789 F790 L791 F867 C870 E872 | D785-R787 PolarHBondContact O-N 3.1Å; D785-R787 WeakPolarHBondContact OD1-CB 2.99Å; D785-R787 PolarHBondContact OD1-N 3.46Å; R787-W789 PolarHBondContact O-N 2.96Å; R787-F790 PolarHBondContact O-N 3Å; R787-L791 HydrophobicContact CG-CD1 3.44Å; R787-L791 VanDerWaalsContact CG-CD1 3.44Å; R787-L791 HydrophobicContact CG-CG 4.33Å; R787-L791 VanDerWaalsContact O-CB 3.26Å; R787-L791 WeakPolarHBondContact O-CB 3.24Å; R787-L791 WeakPolarHBondContact O-CD1 3.23Å; R787-L791 WeakPolarHBondContact O-CG 3.13Å; R787-L791 PolarHBondContact O-N 3.01Å; R787-F867 HydrophobicContact CB-CB 4.13Å; R787-F867 HydrophobicContact CB-CD2 4.09Å; R787-F867 HydrophobicContact CG-CD2 4.28Å; R787-C870 HydrophobicContact CG-CB 4.41Å; R787-C870 PolarHBondContact NE-SG 2.96Å; R787-E872 IonicContact CZ-OE1 3.74Å; R787-E872 IonicContact NH2-OE1 3.97Å; R787-E872 PolarHBondContact NH2-OE1 3.41Å |
| 788 | T | 78.5 | Confident | 70.7 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -38.1 | -178.2 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | A784 D785 N792 | A784-T788 HydrophobicContact CB-CG2 4.11Å; D785-T788 PolarHBondContact O-N 2.91Å; D785-T788 WeakPolarHBondContact OD1-CB 3.4Å; D785-T788 PolarHBondContact OD1-N 3.13Å; D785-T788 PolarHBondContact OD1-OG1 3.15Å; T788-N792 WeakPolarHBondContact O-CB 3.2Å; T788-N792 PolarHBondContact O-N 2.83Å; T788-N792 PolarHBondContact O-ND2 2.95Å; T788-N792 PolarHBondContact O-OD1 3.49Å |
| 789 | W | 76.2 | Confident | 70.9 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.9 | -52.9 | -177 | -163.2 | 82.3 | 0 | 0 | 0 | 113.6 | C750 L768 W777 D785 I786 R787 L791 N792 K793 F832 | C750-W789 HydrophobicContact CB-CH2 3.8Å; C750-W789 HydrophobicContact CB-CZ2 3.65Å; C750-W789 WeakPolarHBondContact SG-CH2 3.5Å; C750-W789 WeakPolarHBondContact SG-CZ2 3.45Å; L768-W789 HydrophobicContact CD1-CH2 4.11Å; L768-W789 HydrophobicContact CD1-CZ3 3.97Å; L768-W789 HydrophobicContact CD2-CH2 4.49Å; L768-W789 HydrophobicContact CD2-CZ3 4.43Å; W777-W789 HydrophobicContact CH2-CD2 4.48Å; W777-W789 HydrophobicContact CH2-CE3 4.02Å; W777-W789 HydrophobicContact CH2-CZ3 4.4Å; W777-W789 HydrophobicContact CZ2-CB 4.5Å; D785-W789 PolarHBondContact O-N 3.44Å; I786-W789 PolarHBondContact O-N 2.96Å; R787-W789 PolarHBondContact O-N 2.96Å; W789-L791 PolarHBondContact O-N 3.15Å; W789-N792 PolarHBondContact O-N 3.31Å; W789-K793 PolarHBondContact O-N 3.29Å; W789-F832 HydrophobicContact CE3-CE1 4.11Å; W789-F832 HydrophobicContact CH2-CD1 4.01Å; W789-F832 AromaticContact CH2-CE1 3.06Å; W789-F832 HydrophobicContact CH2-CE1 3.06Å; W789-F832 AromaticContact CH2-CZ 3.7Å; W789-F832 HydrophobicContact CH2-CZ 3.7Å; W789-F832 AromaticContact CZ2-CE1 3.8Å; W789-F832 HydrophobicContact CZ2-CE1 3.8Å; W789-F832 HydrophobicContact CZ2-CZ 4.21Å; W789-F832 AromaticContact CZ3-CD1 3.75Å; W789-F832 HydrophobicContact CZ3-CD1 3.75Å; W789-F832 AromaticContact CZ3-CE1 3.24Å; W789-F832 HydrophobicContact CZ3-CE1 3.24Å; W789-F832 HydrophobicContact CZ3-CZ 4.29Å |
| 790 | F | 81.8 | Confident | 71.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.6 | -79.6 | -71.8 | 0 | 0 | 0 | 112 | L768 W777 I786 R787 K793 L794 F832 T835 I836 F867 | L768-F790 HydrophobicContact CD1-CZ 4.46Å; W777-F790 HydrophobicContact CH2-CE2 4.21Å; W777-F790 HydrophobicContact CZ3-CE2 4.38Å; I786-F790 HydrophobicContact CG2-CD2 3.67Å; I786-F790 HydrophobicContact CG2-CE2 3.83Å; I786-F790 WeakPolarHBondContact O-CD2 3.19Å; I786-F790 PolarHBondContact O-N 3.29Å; I786-F790 VanDerWaalsContact O-N 3.12Å; R787-F790 PolarHBondContact O-N 3Å; F790-K793 PolarHBondContact O-N 2.85Å; F790-L794 WeakPolarHBondContact O-CG 3.08Å; F790-L794 PolarHBondContact O-N 3.5Å; F790-F832 HydrophobicContact CD1-CD1 4.04Å; F790-F832 HydrophobicContact CE1-CD1 4.01Å; F790-T835 HydrophobicContact CE1-CG2 3.85Å; F790-T835 HydrophobicContact CZ-CG2 3.56Å; F790-I836 HydrophobicContact CB-CD1 4.28Å; F790-I836 HydrophobicContact CD1-CD1 3.84Å; F790-I836 HydrophobicContact CD1-CG1 3.73Å; F790-I836 HydrophobicContact CE1-CG1 4.1Å; F790-I836 HydrophobicContact CG-CD1 4.29Å; F790-I836 HydrophobicContact CG-CG1 4.21Å; F790-F867 HydrophobicContact CB-CE2 3.78Å; F790-F867 HydrophobicContact CB-CZ 3.88Å; F790-F867 HydrophobicContact CD2-CZ 4.24Å; F790-F867 HydrophobicContact CG-CE2 4.46Å; F790-F867 HydrophobicContact CG-CZ 4.15Å |
| 791 | L | 82.7 | Confident | 71.3 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 179.3 | -67.5 | 174 | 0 | 0 | 0 | 112.1 | R787 W789 K793 L794 K795 C870 E872 L873 L876 | R787-L791 HydrophobicContact CG-CD1 3.44Å; R787-L791 VanDerWaalsContact CG-CD1 3.44Å; R787-L791 HydrophobicContact CG-CG 4.33Å; R787-L791 VanDerWaalsContact O-CB 3.26Å; R787-L791 WeakPolarHBondContact O-CB 3.24Å; R787-L791 WeakPolarHBondContact O-CD1 3.23Å; R787-L791 WeakPolarHBondContact O-CG 3.13Å; R787-L791 PolarHBondContact O-N 3.01Å; W789-L791 PolarHBondContact O-N 3.15Å; L791-K793 VanDerWaalsContact C-N 3.25Å; L791-K793 PolarHBondContact O-N 2.66Å; L791-L794 PolarHBondContact O-N 2.94Å; L791-K795 WeakPolarHBondContact O-CB 3.35Å; L791-K795 VanDerWaalsContact O-CG 3.25Å; L791-K795 WeakPolarHBondContact O-CG 3.33Å; L791-K795 PolarHBondContact O-N 2.72Å; L791-C870 VanDerWaalsContact CD1-SG 3.5Å; L791-E872 HydrophobicContact CD1-CB 4.09Å; L791-E872 HydrophobicContact CD2-CB 3.81Å; L791-L873 HydrophobicContact CD2-CB 4.21Å; L791-L876 HydrophobicContact CD2-CD1 3.88Å |
| 792 | N | 81.5 | Confident | 71.4 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 176.8 | -75.9 | -11.3 | 0 | 0 | 0 | 112.1 | T788 W789 R796 | T788-N792 WeakPolarHBondContact O-CB 3.2Å; T788-N792 PolarHBondContact O-N 2.83Å; T788-N792 PolarHBondContact O-ND2 2.95Å; T788-N792 PolarHBondContact O-OD1 3.49Å; W789-N792 PolarHBondContact O-N 3.31Å; N792-R796 PolarHBondContact O-N 3.39Å |
| 793 | K | 80.1 | Confident | 71.6 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 20% | 0.204 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -46.5 | 173.6 | -78.5 | -78.9 | -177.8 | 175.1 | 0 | 111.9 | D754 W789 F790 L791 R796 F797 F832 | D754-K793 IonicContact OD1-NZ 2.69Å; D754-K793 IonicContact OD2-NZ 2.74Å; D754-K793 PolarHBondContact OD2-NZ 3.4Å; W789-K793 PolarHBondContact O-N 3.29Å; F790-K793 PolarHBondContact O-N 2.85Å; L791-K793 VanDerWaalsContact C-N 3.25Å; L791-K793 PolarHBondContact O-N 2.66Å; K793-R796 WeakPolarHBondContact O-CB 3.47Å; K793-R796 PolarHBondContact O-N 3.28Å; K793-F797 WeakPolarHBondContact O-CD2 2.97Å; K793-F797 WeakPolarHBondContact O-CE2 3.45Å; K793-F832 HydrophobicContact CB-CD1 4.23Å; K793-F832 HydrophobicContact CB-CE1 4.24Å; K793-F832 HydrophobicContact CD-CE1 3.92Å; K793-F832 HydrophobicContact CD-CE2 4.16Å; K793-F832 HydrophobicContact CD-CZ 3.74Å; K793-F832 HydrophobicContact CG-CD1 4.09Å; K793-F832 HydrophobicContact CG-CE1 3.6Å; K793-F832 HydrophobicContact CG-CZ 3.97Å |
| 794 | L | 81 | Confident | 71.6 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.2 | -68 | 177.2 | 0 | 0 | 0 | 112.6 | F790 L791 R796 F797 S798 L833 I836 L873 L876 L880 | F790-L794 WeakPolarHBondContact O-CG 3.08Å; F790-L794 PolarHBondContact O-N 3.5Å; L791-L794 PolarHBondContact O-N 2.94Å; L794-R796 PolarHBondContact O-N 3.49Å; L794-F797 WeakPolarHBondContact O-CB 3.47Å; L794-F797 PolarHBondContact O-N 2.84Å; L794-S798 PolarHBondContact O-N 3.21Å; L794-S798 VanDerWaalsContact O-N 3.13Å; L794-L833 HydrophobicContact CD2-CD2 3.66Å; L794-I836 HydrophobicContact CD1-CD1 3.9Å; L794-I836 HydrophobicContact CG-CD1 4.47Å; L794-L873 HydrophobicContact CD1-CD1 3.46Å; L794-L873 VanDerWaalsContact CD1-CD1 3.46Å; L794-L876 HydrophobicContact CB-CB 4.04Å; L794-L876 HydrophobicContact CB-CD1 3.67Å; L794-L876 HydrophobicContact CB-CG 4.36Å; L794-L876 HydrophobicContact CD1-CB 4.45Å; L794-L876 HydrophobicContact CD1-CD1 4.5Å; L794-L880 HydrophobicContact CD2-CD1 3.73Å |
| 795 | K | 80.7 | Confident | 71.4 | Confident | 81 Ų | 81 | 49.6 Ų | 49.6 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.5 | -33.7 | 175.7 | -78.4 | 173.3 | -176.3 | 173.2 | 0 | 112.5 | L791 F797 S798 E799 E872 L876 | L791-K795 WeakPolarHBondContact O-CB 3.35Å; L791-K795 VanDerWaalsContact O-CG 3.25Å; L791-K795 WeakPolarHBondContact O-CG 3.33Å; L791-K795 PolarHBondContact O-N 2.72Å; K795-F797 VanDerWaalsContact C-N 3.29Å; K795-F797 PolarHBondContact O-N 2.84Å; K795-S798 VanDerWaalsContact C-OG 3.27Å; K795-S798 VanDerWaalsContact CA-OG 3.27Å; K795-S798 WeakPolarHBondContact CA-OG 3.32Å; K795-S798 WeakPolarHBondContact O-CA 3.44Å; K795-S798 WeakPolarHBondContact O-CB 3.32Å; K795-S798 PolarHBondContact O-N 3.34Å; K795-S798 PolarHBondContact O-OG 3.08Å; K795-E799 PolarHBondContact O-N 3.43Å; K795-E872 WeakPolarHBondContact CE-OE2 3.37Å; K795-E872 IonicContact NZ-OE2 3.17Å; K795-E872 PolarHBondContact NZ-OE2 2.92Å; K795-L876 HydrophobicContact CG-CD1 3.92Å; K795-L876 HydrophobicContact CG-CD2 3.99Å |
| 796 | R | 74 | Confident | 70.4 | Confident | 133 Ų | 133 | 52.5 Ų | 52.5 | 50% | 0.502 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.5 | -34 | 175.8 | -162.9 | 173.6 | 178.6 | 158.8 | -1.1 | 112.5 | N792 K793 L794 S798 E799 | N792-R796 PolarHBondContact O-N 3.39Å; K793-R796 WeakPolarHBondContact O-CB 3.47Å; K793-R796 PolarHBondContact O-N 3.28Å; L794-R796 PolarHBondContact O-N 3.49Å; R796-S798 VanDerWaalsContact C-N 3.32Å; R796-E799 PolarHBondContact O-N 2.71Å |
| 797 | F | 71.3 | Confident | 69.4 | Low | 15 Ų | 15 | 53.8 Ų | 53.8 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.6 | -29.4 | 170.4 | -61.2 | -82 | 0 | 0 | 0 | 112.1 | K793 L794 K795 E799 L800 V823 Q827 G829 L880 W989 | K793-F797 WeakPolarHBondContact O-CD2 2.97Å; K793-F797 WeakPolarHBondContact O-CE2 3.45Å; L794-F797 WeakPolarHBondContact O-CB 3.47Å; L794-F797 PolarHBondContact O-N 2.84Å; K795-F797 VanDerWaalsContact C-N 3.29Å; K795-F797 PolarHBondContact O-N 2.84Å; F797-E799 PolarHBondContact O-N 3.47Å; F797-L800 WeakPolarHBondContact O-CB 3.43Å; F797-L800 PolarHBondContact O-N 2.94Å; F797-L800 VanDerWaalsContact O-N 3.12Å; F797-V823 HydrophobicContact CD1-CG1 3.73Å; F797-V823 HydrophobicContact CE1-CG1 3.45Å; F797-V823 VanDerWaalsContact CE1-CG1 3.45Å; F797-Q827 VanDerWaalsContact CE1-O 3.22Å; F797-Q827 WeakPolarHBondContact CE1-O 3.34Å; F797-Q827 VanDerWaalsContact CZ-O 3.3Å; F797-Q827 WeakPolarHBondContact CZ-O 3.23Å; F797-G829 VanDerWaalsContact CZ-CA 3.43Å; F797-L880 HydrophobicContact CB-CD1 4.48Å; F797-L880 HydrophobicContact CB-CD2 3.44Å; F797-L880 VanDerWaalsContact CB-CD2 3.44Å; F797-L880 HydrophobicContact CB-CG 4.18Å; F797-L880 HydrophobicContact CD1-CD2 4.38Å; F797-L880 HydrophobicContact CG-CD2 3.97Å; F797-W989 HydrophobicContact CD1-CZ2 4.37Å |
| 798 | S | 65.8 | Low | 68.1 | Low | 25 Ų | 25 | 56.6 Ų | 56.6 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.6 | -18.7 | 172.9 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | L794 K795 R796 L800 T801 W802 E879 | L794-S798 PolarHBondContact O-N 3.21Å; L794-S798 VanDerWaalsContact O-N 3.13Å; K795-S798 VanDerWaalsContact C-OG 3.27Å; K795-S798 VanDerWaalsContact CA-OG 3.27Å; K795-S798 WeakPolarHBondContact CA-OG 3.32Å; K795-S798 WeakPolarHBondContact O-CA 3.44Å; K795-S798 WeakPolarHBondContact O-CB 3.32Å; K795-S798 PolarHBondContact O-N 3.34Å; K795-S798 PolarHBondContact O-OG 3.08Å; R796-S798 VanDerWaalsContact C-N 3.32Å; S798-L800 PolarHBondContact O-N 2.98Å; S798-T801 VanDerWaalsContact C-OG1 3.26Å; S798-T801 WeakPolarHBondContact CA-OG1 3.49Å; S798-T801 PolarHBondContact O-N 2.81Å; S798-T801 VanDerWaalsContact O-N 3.12Å; S798-T801 PolarHBondContact O-OG1 2.86Å; S798-W802 WeakPolarHBondContact O-CB 3.36Å; S798-W802 PolarHBondContact O-N 3.27Å; S798-E879 WeakPolarHBondContact CB-OE2 3.34Å |
| 799 | E | 67.5 | Low | 66.5 | Low | 115 Ų | 115 | 56.9 Ų | 56.9 | 54% | 0.537 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -30.9 | 170.6 | -66.3 | 177.4 | -174.3 | 0 | 0 | 111.5 | K795 R796 F797 I803 | K795-E799 PolarHBondContact O-N 3.43Å; R796-E799 PolarHBondContact O-N 2.71Å; F797-E799 PolarHBondContact O-N 3.47Å; E799-I803 WeakPolarHBondContact O-CG1 3.12Å; E799-I803 PolarHBondContact O-N 3.17Å |
| 800 | L | 67.6 | Low | 65 | Low | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.9 | -36.7 | 172.1 | -63.6 | 169.6 | 0 | 0 | 0 | 111.7 | F797 S798 I803 T804 F816 K819 L820 V823 L883 | F797-L800 WeakPolarHBondContact O-CB 3.43Å; F797-L800 PolarHBondContact O-N 2.94Å; F797-L800 VanDerWaalsContact O-N 3.12Å; S798-L800 PolarHBondContact O-N 2.98Å; L800-I803 PolarHBondContact O-N 3.26Å; L800-T804 PolarHBondContact O-N 3.48Å; L800-T804 VanDerWaalsContact O-N 3.1Å; L800-F816 HydrophobicContact CB-CE2 4.44Å; L800-K819 HydrophobicContact CD2-CB 3.75Å; L800-L820 HydrophobicContact CD1-CD1 4.42Å; L800-V823 HydrophobicContact CD1-CB 4.16Å; L800-V823 HydrophobicContact CD1-CG1 4.02Å; L800-V823 HydrophobicContact CD1-CG2 3.99Å; L800-L883 HydrophobicContact CB-CD1 4.28Å; L800-L883 HydrophobicContact CB-CD2 3.84Å; L800-L883 HydrophobicContact CD1-CD2 3.96Å |
| 801 | T | 62.4 | Low | 63.3 | Low | 4 Ų | 4 | 66.6 Ų | 66.6 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.1 | -37.5 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | S798 I803 T804 N805 E879 L883 | S798-T801 VanDerWaalsContact C-OG1 3.26Å; S798-T801 WeakPolarHBondContact CA-OG1 3.49Å; S798-T801 PolarHBondContact O-N 2.81Å; S798-T801 VanDerWaalsContact O-N 3.12Å; S798-T801 PolarHBondContact O-OG1 2.86Å; T801-I803 VanDerWaalsContact C-N 3.32Å; T801-I803 PolarHBondContact O-N 2.93Å; T801-T804 VanDerWaalsContact CA-OG1 3.27Å; T801-T804 WeakPolarHBondContact CA-OG1 3.22Å; T801-T804 PolarHBondContact O-N 3.36Å; T801-T804 VanDerWaalsContact O-N 3.08Å; T801-T804 PolarHBondContact O-OG1 3.31Å; T801-N805 PolarHBondContact O-N 3.09Å; T801-E879 HydrophobicContact CG2-CB 3.94Å; T801-E879 VanDerWaalsContact CG2-O 3.26Å; T801-E879 WeakPolarHBondContact CG2-O 3.37Å; T801-E879 PolarHBondContact OG1-OE2 3.34Å; T801-E879 VanDerWaalsContact OG1-OE2 3.11Å; T801-L883 HydrophobicContact CG2-CB 3.7Å; T801-L883 HydrophobicContact CG2-CD2 4.28Å; T801-L883 HydrophobicContact CG2-CG 4.41Å |
| 802 | W | 59.2 | Low | 61.9 | Low | 170 Ų | 170 | 71.4 Ų | 71.4 | 64% | 0.644 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.4 | -41.7 | 173.1 | -172.7 | 85.6 | 0 | 0 | 0 | 111.7 | S798 T804 N805 N806 | S798-W802 WeakPolarHBondContact O-CB 3.36Å; S798-W802 PolarHBondContact O-N 3.27Å; W802-T804 PolarHBondContact O-N 3.08Å; W802-N805 PolarHBondContact O-N 3.01Å; W802-N806 VanDerWaalsContact CZ2-ND2 3.34Å; W802-N806 WeakPolarHBondContact CZ2-ND2 3.38Å; W802-N806 PolarHBondContact NE1-ND2 3.25Å; W802-N806 PolarHBondContact O-N 3.34Å; W802-N806 VanDerWaalsContact O-N 3.15Å |
| 803 | I | 58.9 | Low | 60.6 | Low | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 171.3 | -65 | 164.8 | 0 | 0 | 0 | 109.4 | E799 L800 T801 S807 F816 K819 | E799-I803 WeakPolarHBondContact O-CG1 3.12Å; E799-I803 PolarHBondContact O-N 3.17Å; L800-I803 PolarHBondContact O-N 3.26Å; T801-I803 VanDerWaalsContact C-N 3.32Å; T801-I803 PolarHBondContact O-N 2.93Å; I803-S807 WeakPolarHBondContact O-CB 3.43Å; I803-S807 PolarHBondContact O-N 3.06Å; I803-S807 PolarHBondContact O-OG 3.03Å; I803-F816 HydrophobicContact CB-CD2 4.21Å; I803-F816 HydrophobicContact CG2-CB 3.83Å; I803-F816 HydrophobicContact CG2-CD2 3.8Å; I803-F816 HydrophobicContact CG2-CG 4.22Å; I803-K819 HydrophobicContact CD1-CD 3.99Å |
| 804 | T | 55.7 | Low | 59.7 | Low | 15 Ų | 15 | 69.7 Ų | 69.7 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 179.6 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | L800 T801 W802 F816 L883 F886 | L800-T804 PolarHBondContact O-N 3.48Å; L800-T804 VanDerWaalsContact O-N 3.1Å; T801-T804 VanDerWaalsContact CA-OG1 3.27Å; T801-T804 WeakPolarHBondContact CA-OG1 3.22Å; T801-T804 PolarHBondContact O-N 3.36Å; T801-T804 VanDerWaalsContact O-N 3.08Å; T801-T804 PolarHBondContact O-OG1 3.31Å; W802-T804 PolarHBondContact O-N 3.08Å; T804-F816 HydrophobicContact CG2-CD2 4.01Å; T804-F816 HydrophobicContact CG2-CE1 4.4Å; T804-F816 HydrophobicContact CG2-CE2 3.37Å; T804-F816 HydrophobicContact CG2-CZ 3.6Å; T804-L883 HydrophobicContact CG2-CD1 4.15Å; T804-F886 HydrophobicContact CG2-CD1 3.73Å; T804-F886 HydrophobicContact CG2-CE1 3.71Å; T804-F886 HydrophobicContact CG2-CG 4.36Å; T804-F886 HydrophobicContact CG2-CZ 4.33Å |
| 805 | N | 55.4 | Low | 58.9 | Low | 90 Ų | 90 | 73.7 Ų | 73.7 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -74.3 | -39.1 | -174.5 | -78.3 | -11.7 | 0 | 0 | 0 | 112.8 | T801 W802 | T801-N805 PolarHBondContact O-N 3.09Å; W802-N805 PolarHBondContact O-N 3.01Å |
| 806 | N | 51 | Low | 58.2 | Low | 104 Ų | 104 | 70.3 Ų | 70.3 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -87.3 | -13.6 | -178.2 | -72.7 | -20.1 | 0 | 0 | 0 | 114.1 | W802 | W802-N806 VanDerWaalsContact CZ2-ND2 3.34Å; W802-N806 WeakPolarHBondContact CZ2-ND2 3.38Å; W802-N806 PolarHBondContact NE1-ND2 3.25Å; W802-N806 PolarHBondContact O-N 3.34Å; W802-N806 VanDerWaalsContact O-N 3.15Å |
| 807 | S | 50 | Low | 57.8 | Low | 27 Ų | 27 | 64 Ų | 64 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 3.8 | -168 | 65.9 | 0 | 0 | 0 | 0 | 116 | I803 G809 N810 | I803-S807 WeakPolarHBondContact O-CB 3.43Å; I803-S807 PolarHBondContact O-N 3.06Å; I803-S807 PolarHBondContact O-OG 3.03Å; S807-G809 PolarHBondContact O-N 2.58Å; S807-N810 PolarHBondContact O-N 3.17Å |
| 808 | L | 48.8 | Very low | 57.6 | Low | 143 Ų | 143 | 64.7 Ų | 64.7 | 75% | 0.749 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -15.1 | 172.7 | -83.9 | 156.9 | 0 | 0 | 0 | 113 | ||
| 809 | G | 45.2 | Very low | 58 | Low | 58 Ų | 58 | 67.5 Ų | 67.5 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -52.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S807 | S807-G809 PolarHBondContact O-N 2.58Š|
| 810 | N | 44.1 | Very low | 58.4 | Low | 166 Ų | 166 | 62.1 Ų | 62.1 | 89% | 0.888 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -167 | 28.7 | -161.7 | -97.9 | -27.1 | 0 | 0 | 0 | 117.4 | S807 | S807-N810 PolarHBondContact O-N 3.17Š|
| 811 | V | 46.6 | Very low | 58.8 | Low | 85 Ų | 85 | 63.2 Ų | 63.2 | 52% | 0.515 | 35% | 0.346 | S | S | . | . | trans | -118 | 145.2 | 179.2 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | L813 | V811-L813 PolarHBondContact O-N 3.29Š| ||
| 812 | D | 52.9 | Low | 59.4 | Low | 104 Ų | 104 | 68.2 Ų | 68.2 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | trans | -47.2 | 93.5 | -177.1 | -126 | -28.6 | 0 | 0 | 0 | 113.8 | T814 L815 F816 | D812-T814 PolarHBondContact O-N 3.45Å; D812-T814 PolarHBondContact OD1-OG1 3.37Å; D812-L815 HydrophobicContact CB-CB 4.26Å; D812-L815 PolarHBondContact O-N 2.91Å; D812-F816 PolarHBondContact O-N 3.25Å | ||
| 813 | L | 55.1 | Low | 60.4 | Low | 82 Ų | 82 | 61 Ų | 61 | 43% | 0.429 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -51.5 | -22.2 | 169.3 | -80.7 | 153.5 | 0 | 0 | 0 | 112.6 | V811 S817 L926 | V811-L813 PolarHBondContact O-N 3.29Å; L813-S817 WeakPolarHBondContact O-CB 3.24Å; L813-S817 PolarHBondContact O-N 2.56Å; L813-S817 VanDerWaalsContact O-N 3.11Å; L813-S817 PolarHBondContact O-OG 3.26Å; L813-L926 HydrophobicContact CB-CD1 3.72Å; L813-L926 HydrophobicContact CB-CD2 4.26Å; L813-L926 HydrophobicContact CD1-CD1 4.32Å; L813-L926 HydrophobicContact CG-CD1 4.47Å |
| 814 | T | 60.7 | Low | 61.2 | Low | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -41 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | D812 S817 G818 L926 | D812-T814 PolarHBondContact O-N 3.45Å; D812-T814 PolarHBondContact OD1-OG1 3.37Å; T814-S817 PolarHBondContact O-OG 3.18Å; T814-G818 PolarHBondContact O-N 3.37Å; T814-G818 VanDerWaalsContact O-N 3.1Å; T814-L926 HydrophobicContact CG2-CB 4.48Å; T814-L926 HydrophobicContact CG2-CD2 3.67Å |
| 815 | L | 64.8 | Low | 62.1 | Low | 87 Ų | 87 | 62.6 Ų | 62.6 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 177.8 | -168.9 | 83.1 | 0 | 0 | 0 | 111 | D812 K819 | D812-L815 HydrophobicContact CB-CB 4.26Å; D812-L815 PolarHBondContact O-N 2.91Å; L815-K819 WeakPolarHBondContact O-CB 3.18Å; L815-K819 WeakPolarHBondContact O-CG 3.14Å; L815-K819 PolarHBondContact O-N 3.31Å |
| 816 | F | 65.5 | Low | 63 | Low | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 176.6 | 172.5 | -104 | 0 | 0 | 0 | 111.5 | L800 I803 T804 D812 K819 L820 L883 F886 | L800-F816 HydrophobicContact CB-CE2 4.44Å; I803-F816 HydrophobicContact CB-CD2 4.21Å; I803-F816 HydrophobicContact CG2-CB 3.83Å; I803-F816 HydrophobicContact CG2-CD2 3.8Å; I803-F816 HydrophobicContact CG2-CG 4.22Å; T804-F816 HydrophobicContact CG2-CD2 4.01Å; T804-F816 HydrophobicContact CG2-CE1 4.4Å; T804-F816 HydrophobicContact CG2-CE2 3.37Å; T804-F816 HydrophobicContact CG2-CZ 3.6Å; D812-F816 PolarHBondContact O-N 3.25Å; F816-K819 PolarHBondContact O-N 2.94Å; F816-L820 HydrophobicContact CE1-CD2 4.15Å; F816-L820 HydrophobicContact CZ-CD2 4.26Å; F816-L820 WeakPolarHBondContact O-CB 3.21Å; F816-L820 PolarHBondContact O-N 2.96Å; F816-L883 HydrophobicContact CE2-CD1 3.88Å; F816-L883 HydrophobicContact CZ-CD1 3.82Å; F816-F886 HydrophobicContact CE1-CD1 4.26Å; F816-F886 AromaticContact CE1-CE1 3.79Å; F816-F886 HydrophobicContact CE1-CE1 3.79Å; F816-F886 HydrophobicContact CZ-CD1 4.11Å; F816-F886 HydrophobicContact CZ-CE1 4Å |
| 817 | S | 65.7 | Low | 64.3 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | -176.3 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | L813 T814 L820 L821 T923 A927 | L813-S817 WeakPolarHBondContact O-CB 3.24Å; L813-S817 PolarHBondContact O-N 2.56Å; L813-S817 VanDerWaalsContact O-N 3.11Å; L813-S817 PolarHBondContact O-OG 3.26Å; T814-S817 PolarHBondContact O-OG 3.18Å; S817-L820 PolarHBondContact O-N 3.41Å; S817-L821 PolarHBondContact O-N 3.4Å; S817-T923 WeakPolarHBondContact CB-O 3.28Å; S817-T923 PolarHBondContact OG-O 3.11Å; S817-A927 WeakPolarHBondContact OG-CA 3.26Å; S817-A927 PolarHBondContact OG-N 3.48Å; S817-A927 VanDerWaalsContact OG-N 3.14Å |
| 818 | G | 67.9 | Low | 65.7 | Low | 30 Ų | 30 | 61.6 Ų | 61.6 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T814 L821 Q822 | T814-G818 PolarHBondContact O-N 3.37Å; T814-G818 VanDerWaalsContact O-N 3.1Å; G818-L821 PolarHBondContact O-N 3.22Å; G818-Q822 WeakPolarHBondContact O-CB 3.4Å; G818-Q822 PolarHBondContact O-N 3.09Å; G818-Q822 VanDerWaalsContact O-N 3.09Å |
| 819 | K | 73.5 | Confident | 67.4 | Low | 83 Ų | 83 | 54.8 Ų | 54.8 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 176.5 | -76.4 | -173.1 | 174.3 | -173.3 | 0 | 112.6 | L800 I803 L815 F816 Q822 V823 | L800-K819 HydrophobicContact CD2-CB 3.75Å; I803-K819 HydrophobicContact CD1-CD 3.99Å; L815-K819 WeakPolarHBondContact O-CB 3.18Å; L815-K819 WeakPolarHBondContact O-CG 3.14Å; L815-K819 PolarHBondContact O-N 3.31Å; F816-K819 PolarHBondContact O-N 2.94Å; K819-Q822 WeakPolarHBondContact O-CB 3.32Å; K819-Q822 PolarHBondContact O-N 3.45Å; K819-V823 WeakPolarHBondContact O-CB 3.49Å; K819-V823 WeakPolarHBondContact O-CG2 3.49Å; K819-V823 PolarHBondContact O-N 3.43Å |
| 820 | L | 76.5 | Confident | 69.5 | Low | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 177.3 | 178.4 | 68.4 | 0 | 0 | 0 | 111 | L800 F816 S817 Q822 V823 V824 T887 T923 W989 | L800-L820 HydrophobicContact CD1-CD1 4.42Å; F816-L820 HydrophobicContact CE1-CD2 4.15Å; F816-L820 HydrophobicContact CZ-CD2 4.26Å; F816-L820 WeakPolarHBondContact O-CB 3.21Å; F816-L820 PolarHBondContact O-N 2.96Å; S817-L820 PolarHBondContact O-N 3.41Å; L820-Q822 VanDerWaalsContact C-N 3.32Å; L820-Q822 PolarHBondContact O-N 3.34Å; L820-V823 PolarHBondContact O-N 2.86Å; L820-V824 HydrophobicContact CD1-CG2 4.26Å; L820-V824 HydrophobicContact CG-CG2 4.42Å; L820-V824 WeakPolarHBondContact O-CG2 3.3Å; L820-V824 PolarHBondContact O-N 3.32Å; L820-T887 HydrophobicContact CD1-CG2 4.09Å; L820-T887 HydrophobicContact CD2-CG2 3.53Å; L820-T887 HydrophobicContact CG-CG2 4.47Å; L820-T923 HydrophobicContact CD2-CG2 4.02Å; L820-W989 HydrophobicContact CD1-CH2 4.35Å; L820-W989 HydrophobicContact CD1-CZ3 4.09Å |
| 821 | L | 74.1 | Confident | 71.6 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 178.5 | -135.5 | 102.2 | 0 | 0 | 0 | 111.1 | S817 G818 V823 V824 Q825 V924 | S817-L821 PolarHBondContact O-N 3.4Å; G818-L821 PolarHBondContact O-N 3.22Å; L821-V823 VanDerWaalsContact C-N 3.28Å; L821-V823 PolarHBondContact O-N 3.33Å; L821-V824 PolarHBondContact O-N 3.47Å; L821-Q825 WeakPolarHBondContact O-CB 3.05Å; L821-Q825 WeakPolarHBondContact O-CG 3.27Å; L821-Q825 PolarHBondContact O-N 3.27Å; L821-V924 HydrophobicContact CD1-CG2 4.32Å |
| 822 | Q | 77 | Confident | 73.6 | Confident | 108 Ų | 108 | 40.4 Ų | 40.4 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.3 | -41 | 176.2 | -172 | -178.4 | 16.6 | 0 | 0 | 111.7 | G818 K819 L820 F826 | G818-Q822 WeakPolarHBondContact O-CB 3.4Å; G818-Q822 PolarHBondContact O-N 3.09Å; G818-Q822 VanDerWaalsContact O-N 3.09Å; K819-Q822 WeakPolarHBondContact O-CB 3.32Å; K819-Q822 PolarHBondContact O-N 3.45Å; L820-Q822 VanDerWaalsContact C-N 3.32Å; L820-Q822 PolarHBondContact O-N 3.34Å; Q822-F826 HydrophobicContact CG-CD2 4.21Å; Q822-F826 WeakPolarHBondContact O-CB 3.45Å; Q822-F826 WeakPolarHBondContact O-CD2 3.47Å; Q822-F826 PolarHBondContact O-N 3.18Å |
| 823 | V | 78.4 | Confident | 75.4 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.109 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69 | -48.8 | 179 | 168.1 | 0 | 0 | 0 | 0 | 110.8 | F797 L800 K819 L820 L821 Q825 Q827 S828 | F797-V823 HydrophobicContact CD1-CG1 3.73Å; F797-V823 HydrophobicContact CE1-CG1 3.45Å; F797-V823 VanDerWaalsContact CE1-CG1 3.45Å; L800-V823 HydrophobicContact CD1-CB 4.16Å; L800-V823 HydrophobicContact CD1-CG1 4.02Å; L800-V823 HydrophobicContact CD1-CG2 3.99Å; K819-V823 WeakPolarHBondContact O-CB 3.49Å; K819-V823 WeakPolarHBondContact O-CG2 3.49Å; K819-V823 PolarHBondContact O-N 3.43Å; L820-V823 PolarHBondContact O-N 2.86Å; L821-V823 VanDerWaalsContact C-N 3.28Å; L821-V823 PolarHBondContact O-N 3.33Å; V823-Q825 VanDerWaalsContact C-N 3.28Å; V823-Q825 PolarHBondContact O-N 2.92Å; V823-Q827 WeakPolarHBondContact CG1-O 3.24Å; V823-Q827 CarbonylContact O-C 3.57Å; V823-Q827 WeakPolarHBondContact O-CA 3.44Å; V823-Q827 PolarHBondContact O-N 2.93Å; V823-Q827 VanDerWaalsContact O-O 3.12Å; V823-S828 WeakPolarHBondContact O-CA 3.49Å; V823-S828 PolarHBondContact O-N 3.24Å |
| 824 | V | 76.5 | Confident | 77.1 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 178.7 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | L820 L821 H985 V986 W989 | L820-V824 HydrophobicContact CD1-CG2 4.26Å; L820-V824 HydrophobicContact CG-CG2 4.42Å; L820-V824 WeakPolarHBondContact O-CG2 3.3Å; L820-V824 PolarHBondContact O-N 3.32Å; L821-V824 PolarHBondContact O-N 3.47Å; V824-H985 HydrophobicContact CG1-CB 4.22Å; V824-V986 HydrophobicContact CG1-CG2 4.21Å; V824-V986 HydrophobicContact CG2-CG2 4.4Å; V824-W989 HydrophobicContact CG1-CB 4Å; V824-W989 HydrophobicContact CG1-CG 4.35Å; V824-W989 HydrophobicContact CG2-CB 4.3Å; V824-W989 HydrophobicContact CG2-CD2 3.75Å; V824-W989 HydrophobicContact CG2-CE3 3.78Å; V824-W989 HydrophobicContact CG2-CG 3.99Å; V824-W989 HydrophobicContact CG2-CZ3 4.39Å |
| 825 | Q | 75.5 | Confident | 78.5 | Confident | 65 Ų | 65 | 31.9 Ų | 31.9 | 30% | 0.304 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -84.5 | -39.9 | -175.3 | -71 | -179.4 | -19.2 | 0 | 0 | 114 | P756 L821 V823 | P756-Q825 VanDerWaalsContact CD-O 3.32Å; P756-Q825 WeakPolarHBondContact CD-O 3.33Å; P756-Q825 WeakPolarHBondContact CG-O 3.3Å; L821-Q825 WeakPolarHBondContact O-CB 3.05Å; L821-Q825 WeakPolarHBondContact O-CG 3.27Å; L821-Q825 PolarHBondContact O-N 3.27Å; V823-Q825 VanDerWaalsContact C-N 3.28Å; V823-Q825 PolarHBondContact O-N 2.92Å |
| 826 | F | 74.2 | Confident | 79.8 | Confident | 141 Ų | 141 | 27.8 Ų | 27.8 | 62% | 0.618 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -118.7 | -16.5 | -168.4 | -56.7 | -72.9 | 0 | 0 | 0 | 114.3 | D754 Q822 | D754-F826 CarbonylContact O-C 3.49Å; Q822-F826 HydrophobicContact CG-CD2 4.21Å; Q822-F826 WeakPolarHBondContact O-CB 3.45Å; Q822-F826 WeakPolarHBondContact O-CD2 3.47Å; Q822-F826 PolarHBondContact O-N 3.18Å |
| 827 | Q | 77.1 | Confident | 81 | Confident | 57 Ų | 57 | 28.4 Ų | 28.4 | 27% | 0.266 | 14% | 0.142 | S | C | . | . | trans | -143.6 | 52.6 | -174.2 | -62.2 | -176.8 | -3.8 | 0 | 0 | 110.7 | D754 F797 V823 G829 | D754-Q827 CarbonylContact O-C 3.5Å; D754-Q827 VanDerWaalsContact O-CA 3.31Å; D754-Q827 WeakPolarHBondContact O-CA 3.02Å; D754-Q827 PolarHBondContact O-N 3.05Å; F797-Q827 VanDerWaalsContact CE1-O 3.22Å; F797-Q827 WeakPolarHBondContact CE1-O 3.34Å; F797-Q827 VanDerWaalsContact CZ-O 3.3Å; F797-Q827 WeakPolarHBondContact CZ-O 3.23Å; V823-Q827 WeakPolarHBondContact CG1-O 3.24Å; V823-Q827 CarbonylContact O-C 3.57Å; V823-Q827 WeakPolarHBondContact O-CA 3.44Å; V823-Q827 PolarHBondContact O-N 2.93Å; V823-Q827 VanDerWaalsContact O-O 3.12Å; Q827-G829 PolarHBondContact O-N 3.19Å | ||
| 828 | S | 79.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | trans | -65.4 | -26.9 | -167.1 | 83.8 | 0 | 0 | 0 | 0 | 113.2 | D754 T755 V823 L830 W989 | D754-S828 PolarHBondContact O-N 2.79Å; T755-S828 PolarHBondContact O-OG 3.33Å; V823-S828 WeakPolarHBondContact O-CA 3.49Å; V823-S828 PolarHBondContact O-N 3.24Å; S828-L830 PolarHBondContact O-N 3.48Å; S828-L830 VanDerWaalsContact O-N 3.13Å; S828-L830 PolarHBondContact OG-N 3.28Å; S828-W989 PolarHBondContact O-NE1 3.11Å | ||
| 829 | G | 84.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | 67.3 | 2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F797 Q827 G831 F832 L833 | F797-G829 VanDerWaalsContact CZ-CA 3.43Å; Q827-G829 PolarHBondContact O-N 3.19Å; G829-G831 VanDerWaalsContact C-N 3.29Å; G829-G831 PolarHBondContact O-N 2.93Å; G829-F832 WeakPolarHBondContact O-CB 3.3Å; G829-F832 PolarHBondContact O-N 3.1Å; G829-L833 PolarHBondContact O-N 3.17Å | ||
| 830 | L | 88.1 | Confident | 83.9 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | -172.2 | -70.5 | 176.2 | 0 | 0 | 0 | 112.5 | Y761 S828 F832 L833 L834 N992 T993 F996 | Y761-L830 HydrophobicContact CD1-CB 4.13Å; Y761-L830 HydrophobicContact CD1-CD1 4.37Å; Y761-L830 HydrophobicContact CD2-CB 4.15Å; Y761-L830 HydrophobicContact CE1-CB 4.19Å; Y761-L830 HydrophobicContact CE1-CD1 3.93Å; Y761-L830 HydrophobicContact CE2-CB 4.28Å; Y761-L830 HydrophobicContact CG-CB 4.14Å; S828-L830 PolarHBondContact O-N 3.48Å; S828-L830 VanDerWaalsContact O-N 3.13Å; S828-L830 PolarHBondContact OG-N 3.28Å; L830-F832 VanDerWaalsContact C-N 3.32Å; L830-F832 PolarHBondContact O-N 3.02Å; L830-L833 PolarHBondContact O-N 2.75Å; L830-L834 WeakPolarHBondContact O-CB 3.43Å; L830-L834 PolarHBondContact O-N 3.17Å; L830-N992 HydrophobicContact CD1-CB 4.49Å; L830-N992 HydrophobicContact CD2-CB 3.81Å; L830-T993 WeakPolarHBondContact CD2-OG1 3.36Å; L830-F996 HydrophobicContact CD2-CD2 4.45Å; L830-F996 HydrophobicContact CD2-CE2 4.5Å |
| 831 | G | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.1 | -34.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C753 A765 G829 T835 | C753-G831 PolarHBondContact O-N 3.22Å; C753-G831 VanDerWaalsContact O-N 3.08Å; A765-G831 WeakPolarHBondContact CB-O 3.46Å; G829-G831 VanDerWaalsContact C-N 3.29Å; G829-G831 PolarHBondContact O-N 2.93Å; G831-T835 WeakPolarHBondContact O-CB 3.25Å; G831-T835 PolarHBondContact O-N 3.41Å; G831-T835 PolarHBondContact O-OG1 3Å |
| 832 | F | 89.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 175.8 | -67.1 | -94.7 | 0 | 0 | 0 | 111.5 | C753 D754 W789 F790 K793 G829 L830 L834 T835 I836 | C753-F832 HydrophobicContact CB-CD2 3.39Å; C753-F832 HydrophobicContact CB-CE2 3.25Å; C753-F832 HydrophobicContact CB-CG 4.08Å; C753-F832 HydrophobicContact CB-CZ 3.91Å; D754-F832 VanDerWaalsContact OD1-CE2 3.28Å; D754-F832 WeakPolarHBondContact OD1-CE2 3.37Å; W789-F832 HydrophobicContact CE3-CE1 4.11Å; W789-F832 HydrophobicContact CH2-CD1 4.01Å; W789-F832 AromaticContact CH2-CE1 3.06Å; W789-F832 HydrophobicContact CH2-CE1 3.06Å; W789-F832 AromaticContact CH2-CZ 3.7Å; W789-F832 HydrophobicContact CH2-CZ 3.7Å; W789-F832 AromaticContact CZ2-CE1 3.8Å; W789-F832 HydrophobicContact CZ2-CE1 3.8Å; W789-F832 HydrophobicContact CZ2-CZ 4.21Å; W789-F832 AromaticContact CZ3-CD1 3.75Å; W789-F832 HydrophobicContact CZ3-CD1 3.75Å; W789-F832 AromaticContact CZ3-CE1 3.24Å; W789-F832 HydrophobicContact CZ3-CE1 3.24Å; W789-F832 HydrophobicContact CZ3-CZ 4.29Å; F790-F832 HydrophobicContact CD1-CD1 4.04Å; F790-F832 HydrophobicContact CE1-CD1 4.01Å; K793-F832 HydrophobicContact CB-CD1 4.23Å; K793-F832 HydrophobicContact CB-CE1 4.24Å; K793-F832 HydrophobicContact CD-CE1 3.92Å; K793-F832 HydrophobicContact CD-CE2 4.16Å; K793-F832 HydrophobicContact CD-CZ 3.74Å; K793-F832 HydrophobicContact CG-CD1 4.09Å; K793-F832 HydrophobicContact CG-CE1 3.6Å; K793-F832 HydrophobicContact CG-CZ 3.97Å; G829-F832 WeakPolarHBondContact O-CB 3.3Å; G829-F832 PolarHBondContact O-N 3.1Å; L830-F832 VanDerWaalsContact C-N 3.32Å; L830-F832 PolarHBondContact O-N 3.02Å; F832-L834 VanDerWaalsContact C-N 3.35Å; F832-L834 PolarHBondContact O-N 3.25Å; F832-T835 VanDerWaalsContact O-CB 3.32Å; F832-T835 WeakPolarHBondContact O-CB 3.46Å; F832-T835 PolarHBondContact O-N 2.93Å; F832-I836 VanDerWaalsContact O-CG1 3.31Å; F832-I836 WeakPolarHBondContact O-CG1 3.5Å; F832-I836 PolarHBondContact O-N 3.23Å |
| 833 | L | 91.1 | Very high | 85.1 | Confident | 6 Ų | 6 | 23.9 Ų | 23.9 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.3 | -67.9 | 173.9 | 0 | 0 | 0 | 111.1 | L794 G829 L830 T835 I836 D837 L880 T993 F996 I1000 | L794-L833 HydrophobicContact CD2-CD2 3.66Å; G829-L833 PolarHBondContact O-N 3.17Å; L830-L833 PolarHBondContact O-N 2.75Å; L833-T835 VanDerWaalsContact C-N 3.29Å; L833-T835 PolarHBondContact O-N 3.26Å; L833-I836 PolarHBondContact O-N 3.34Å; L833-D837 WeakPolarHBondContact O-CB 3.38Å; L833-D837 PolarHBondContact O-N 3.03Å; L833-L880 HydrophobicContact CD2-CD1 4.32Å; L833-T993 HydrophobicContact CD1-CG2 3.79Å; L833-F996 HydrophobicContact CB-CB 3.8Å; L833-F996 HydrophobicContact CB-CD2 4.24Å; L833-F996 HydrophobicContact CB-CG 4.27Å; L833-I1000 HydrophobicContact CB-CD1 4.36Å; L833-I1000 HydrophobicContact CD2-CD1 3.95Å; L833-I1000 WeakPolarHBondContact O-CD1 3.33Å |
| 834 | L | 90.6 | Very high | 85.2 | Confident | 20 Ų | 20 | 23.6 Ų | 23.6 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 174.9 | 177.6 | 63.3 | 0 | 0 | 0 | 112 | Y761 T762 A765 L830 F832 D837 Q838 F996 | Y761-L834 HydrophobicContact CD2-CD2 4.36Å; Y761-L834 HydrophobicContact CE2-CD2 4.18Å; T762-L834 HydrophobicContact CG2-CD2 3.74Å; A765-L834 HydrophobicContact CB-CB 4Å; A765-L834 HydrophobicContact CB-CD2 3.67Å; A765-L834 HydrophobicContact CB-CG 3.85Å; L830-L834 WeakPolarHBondContact O-CB 3.43Å; L830-L834 PolarHBondContact O-N 3.17Å; F832-L834 VanDerWaalsContact C-N 3.35Å; F832-L834 PolarHBondContact O-N 3.25Å; L834-D837 PolarHBondContact O-N 3.47Å; L834-Q838 HydrophobicContact CD1-CG 4.09Å; L834-Q838 HydrophobicContact CG-CG 4.45Å; L834-Q838 WeakPolarHBondContact O-CB 3.34Å; L834-Q838 VanDerWaalsContact O-CG 3.28Å; L834-Q838 WeakPolarHBondContact O-CG 3.26Å; L834-Q838 PolarHBondContact O-N 2.7Å; L834-F996 HydrophobicContact CB-CE1 4.3Å; L834-F996 HydrophobicContact CB-CZ 4.25Å; L834-F996 HydrophobicContact CD1-CD1 4.33Å; L834-F996 HydrophobicContact CD1-CE1 3.59Å; L834-F996 HydrophobicContact CD1-CZ 4Å |
| 835 | T | 90.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59 | -51.7 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | A765 L768 T769 F790 G831 F832 L833 D837 Q838 I839 | A765-T835 WeakPolarHBondContact CA-OG1 3.5Å; A765-T835 WeakPolarHBondContact CB-OG1 3.36Å; L768-T835 HydrophobicContact CB-CG2 3.54Å; T769-T835 WeakPolarHBondContact OG1-CA 3.48Å; F790-T835 HydrophobicContact CE1-CG2 3.85Å; F790-T835 HydrophobicContact CZ-CG2 3.56Å; G831-T835 WeakPolarHBondContact O-CB 3.25Å; G831-T835 PolarHBondContact O-N 3.41Å; G831-T835 PolarHBondContact O-OG1 3Å; F832-T835 VanDerWaalsContact O-CB 3.32Å; F832-T835 WeakPolarHBondContact O-CB 3.46Å; F832-T835 PolarHBondContact O-N 2.93Å; L833-T835 VanDerWaalsContact C-N 3.29Å; L833-T835 PolarHBondContact O-N 3.26Å; T835-D837 VanDerWaalsContact C-N 3.32Å; T835-D837 PolarHBondContact O-N 3.16Å; T835-Q838 PolarHBondContact O-N 2.95Å; T835-I839 HydrophobicContact CG2-CD1 3.82Å; T835-I839 HydrophobicContact CG2-CG1 4.49Å; T835-I839 VanDerWaalsContact O-CG1 3.26Å; T835-I839 WeakPolarHBondContact O-CG1 3.45Å; T835-I839 PolarHBondContact O-N 3.41Å |
| 836 | I | 91 | Very high | 85.3 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | -179 | -63.6 | 168.2 | 0 | 0 | 0 | 110.1 | F790 L794 F832 L833 Q838 I839 L840 F867 L873 I1000 | F790-I836 HydrophobicContact CB-CD1 4.28Å; F790-I836 HydrophobicContact CD1-CD1 3.84Å; F790-I836 HydrophobicContact CD1-CG1 3.73Å; F790-I836 HydrophobicContact CE1-CG1 4.1Å; F790-I836 HydrophobicContact CG-CD1 4.29Å; F790-I836 HydrophobicContact CG-CG1 4.21Å; L794-I836 HydrophobicContact CD1-CD1 3.9Å; L794-I836 HydrophobicContact CG-CD1 4.47Å; F832-I836 VanDerWaalsContact O-CG1 3.31Å; F832-I836 WeakPolarHBondContact O-CG1 3.5Å; F832-I836 PolarHBondContact O-N 3.23Å; L833-I836 PolarHBondContact O-N 3.34Å; I836-Q838 PolarHBondContact O-N 3.26Å; I836-I839 PolarHBondContact O-N 3.19Å; I836-L840 HydrophobicContact CG2-CD1 3.96Å; I836-L840 HydrophobicContact CG2-CG 4.41Å; I836-L840 WeakPolarHBondContact O-CG 3.38Å; I836-L840 PolarHBondContact O-N 2.89Å; I836-F867 HydrophobicContact CD1-CZ 4.27Å; I836-F867 HydrophobicContact CG1-CE1 4.44Å; I836-F867 HydrophobicContact CG1-CZ 4.03Å; I836-F867 HydrophobicContact CG2-CE1 4.39Å; I836-F867 HydrophobicContact CG2-CZ 4.26Å; I836-L873 HydrophobicContact CD1-CD1 4.11Å; I836-L873 HydrophobicContact CG2-CD1 4.11Å; I836-L873 HydrophobicContact CG2-CD2 3.96Å; I836-I1000 HydrophobicContact CB-CD1 4.03Å; I836-I1000 HydrophobicContact CB-CG1 4.39Å; I836-I1000 HydrophobicContact CG2-CD1 3.96Å; I836-I1000 HydrophobicContact CG2-CG1 3.99Å; I836-I1000 HydrophobicContact CG2-CG2 3.92Å |
| 837 | D | 91.7 | Very high | 85.1 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 178.6 | -173.4 | 42.4 | 0 | 0 | 0 | 112.2 | L833 L834 T835 L840 T841 F996 S999 I1000 | L833-D837 WeakPolarHBondContact O-CB 3.38Å; L833-D837 PolarHBondContact O-N 3.03Å; L834-D837 PolarHBondContact O-N 3.47Å; T835-D837 VanDerWaalsContact C-N 3.32Å; T835-D837 PolarHBondContact O-N 3.16Å; D837-L840 PolarHBondContact O-N 3.35Å; D837-T841 VanDerWaalsContact O-CB 3.27Å; D837-T841 WeakPolarHBondContact O-CB 3.11Å; D837-T841 PolarHBondContact O-N 3.2Å; D837-T841 PolarHBondContact O-OG1 2.93Å; D837-F996 HydrophobicContact CB-CD1 4.48Å; D837-S999 WeakPolarHBondContact OD1-CB 3.37Å; D837-S999 PolarHBondContact OD1-OG 2.91Å; D837-I1000 HydrophobicContact CB-CD1 4.38Å; D837-I1000 HydrophobicContact CB-CG1 3.82Å |
| 838 | Q | 90.3 | Very high | 84.6 | Confident | 50 Ų | 50 | 25.1 Ų | 25.1 | 23% | 0.234 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 177 | -73 | 177.4 | -13.3 | 0 | 0 | 112.7 | N766 T769 L834 T835 I836 T842 | N766-Q838 PolarHBondContact OD1-NE2 2.86Å; N766-Q838 PolarHBondContact OD1-OE1 3.11Å; T769-Q838 HydrophobicContact CG2-CB 3.73Å; T769-Q838 PolarHBondContact OG1-OE1 3.39Å; L834-Q838 HydrophobicContact CD1-CG 4.09Å; L834-Q838 HydrophobicContact CG-CG 4.45Å; L834-Q838 WeakPolarHBondContact O-CB 3.34Å; L834-Q838 VanDerWaalsContact O-CG 3.28Å; L834-Q838 WeakPolarHBondContact O-CG 3.26Å; L834-Q838 PolarHBondContact O-N 2.7Å; T835-Q838 PolarHBondContact O-N 2.95Å; I836-Q838 PolarHBondContact O-N 3.26Å; Q838-T842 VanDerWaalsContact O-CB 3.29Å; Q838-T842 WeakPolarHBondContact O-CB 3.31Å; Q838-T842 PolarHBondContact O-N 3.41Å; Q838-T842 PolarHBondContact O-OG1 3.03Å |
| 839 | I | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -52.2 | 174.8 | -73.2 | 168.5 | 0 | 0 | 0 | 109.8 | T769 I773 T835 I836 T842 C843 L864 | T769-I839 HydrophobicContact CG2-CG1 4.45Å; I773-I839 HydrophobicContact CG1-CG1 4.38Å; T835-I839 HydrophobicContact CG2-CD1 3.82Å; T835-I839 HydrophobicContact CG2-CG1 4.49Å; T835-I839 VanDerWaalsContact O-CG1 3.26Å; T835-I839 WeakPolarHBondContact O-CG1 3.45Å; T835-I839 PolarHBondContact O-N 3.41Å; I836-I839 PolarHBondContact O-N 3.19Å; I839-T842 PolarHBondContact O-N 3.21Å; I839-C843 WeakPolarHBondContact O-CB 3.27Å; I839-C843 PolarHBondContact O-N 3Å; I839-C843 PolarHBondContact O-SG 3.4Å; I839-L864 HydrophobicContact CG2-CD1 4Å; I839-L864 HydrophobicContact CG2-CD2 4.22Å; I839-L864 HydrophobicContact CG2-CG 4.39Å |
| 840 | L | 89.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | -177.8 | -67.2 | 173.2 | 0 | 0 | 0 | 111.4 | I836 D837 T842 C843 L844 I868 L873 I1000 N1003 W1004 I1007 | I836-L840 HydrophobicContact CG2-CD1 3.96Å; I836-L840 HydrophobicContact CG2-CG 4.41Å; I836-L840 WeakPolarHBondContact O-CG 3.38Å; I836-L840 PolarHBondContact O-N 2.89Å; D837-L840 PolarHBondContact O-N 3.35Å; L840-T842 VanDerWaalsContact C-N 3.3Å; L840-T842 PolarHBondContact O-N 3.14Å; L840-C843 PolarHBondContact O-N 3.02Å; L840-L844 WeakPolarHBondContact O-CB 3.27Å; L840-L844 PolarHBondContact O-N 3.23Å; L840-I868 HydrophobicContact CD2-CG1 4.13Å; L840-I868 HydrophobicContact CD2-CG2 4.41Å; L840-L873 HydrophobicContact CD1-CD2 4.41Å; L840-I1000 HydrophobicContact CD1-CB 4.25Å; L840-I1000 HydrophobicContact CD1-CG1 4.49Å; L840-I1000 HydrophobicContact CD1-CG2 3.72Å; L840-N1003 HydrophobicContact CB-CB 3.81Å; L840-W1004 HydrophobicContact CD1-CB 4.16Å; L840-I1007 HydrophobicContact CB-CD1 4.16Å; L840-I1007 HydrophobicContact CD2-CD1 3.77Å |
| 841 | T | 87 | Confident | 80.8 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58 | -44.1 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | D837 L844 S845 N1003 | D837-T841 VanDerWaalsContact O-CB 3.27Å; D837-T841 WeakPolarHBondContact O-CB 3.11Å; D837-T841 PolarHBondContact O-N 3.2Å; D837-T841 PolarHBondContact O-OG1 2.93Å; T841-L844 PolarHBondContact O-N 3.25Å; T841-S845 WeakPolarHBondContact O-CB 3.28Å; T841-S845 PolarHBondContact O-N 3.03Å; T841-N1003 PolarHBondContact OG1-ND2 3.1Å |
| 842 | T | 82.8 | Confident | 79 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 178.3 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | I773 Q838 I839 L840 S845 K846 | I773-T842 HydrophobicContact CD1-CG2 3.83Å; I773-T842 HydrophobicContact CG2-CG2 4.25Å; Q838-T842 VanDerWaalsContact O-CB 3.29Å; Q838-T842 WeakPolarHBondContact O-CB 3.31Å; Q838-T842 PolarHBondContact O-N 3.41Å; Q838-T842 PolarHBondContact O-OG1 3.03Å; I839-T842 PolarHBondContact O-N 3.21Å; L840-T842 VanDerWaalsContact C-N 3.3Å; L840-T842 PolarHBondContact O-N 3.14Å; T842-S845 PolarHBondContact O-N 3.04Å; T842-S845 PolarHBondContact O-OG 3.38Å; T842-K846 PolarHBondContact O-N 3.33Å |
| 843 | C | 82.6 | Confident | 77.2 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.1 | -69 | 0 | 0 | 0 | 0 | 111.5 | I839 L840 S845 K846 L847 I860 I868 I1007 | I839-C843 WeakPolarHBondContact O-CB 3.27Å; I839-C843 PolarHBondContact O-N 3Å; I839-C843 PolarHBondContact O-SG 3.4Å; L840-C843 PolarHBondContact O-N 3.02Å; C843-S845 VanDerWaalsContact C-N 3.31Å; C843-S845 PolarHBondContact O-N 2.87Å; C843-K846 PolarHBondContact O-N 3.46Å; C843-L847 VanDerWaalsContact O-CG 3.3Å; C843-L847 WeakPolarHBondContact O-CG 3.49Å; C843-L847 PolarHBondContact O-N 3.17Å; C843-I860 HydrophobicContact CB-CD1 4.37Å; C843-I868 HydrophobicContact CB-CD1 4.27Å; C843-I1007 HydrophobicContact CB-CD1 4.14Å |
| 844 | L | 80.6 | Confident | 75.2 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 176 | -176.1 | 64.3 | 0 | 0 | 0 | 111.7 | L840 T841 K846 L847 M848 N1003 A1006 I1007 L1055 | L840-L844 WeakPolarHBondContact O-CB 3.27Å; L840-L844 PolarHBondContact O-N 3.23Å; T841-L844 PolarHBondContact O-N 3.25Å; L844-K846 PolarHBondContact O-N 3.39Å; L844-L847 WeakPolarHBondContact O-CB 3.38Å; L844-L847 PolarHBondContact O-N 3.17Å; L844-M848 VanDerWaalsContact O-CG 3.23Å; L844-M848 WeakPolarHBondContact O-CG 3.35Å; L844-M848 PolarHBondContact O-N 2.84Å; L844-N1003 VanDerWaalsContact CD2-OD1 3.31Å; L844-N1003 WeakPolarHBondContact CD2-OD1 3.48Å; L844-A1006 HydrophobicContact CD1-CB 3.92Å; L844-A1006 HydrophobicContact CD2-CB 4Å; L844-I1007 HydrophobicContact CB-CD1 4.31Å; L844-I1007 HydrophobicContact CB-CG1 4.04Å; L844-I1007 HydrophobicContact CD1-CG1 4.08Å; L844-L1055 HydrophobicContact CD2-CD1 4Å; L844-L1055 HydrophobicContact CD2-CD2 3.9Å |
| 845 | S | 78.6 | Confident | 73.6 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 177.8 | 81 | 0 | 0 | 0 | 0 | 112.9 | T841 T842 C843 M848 K849 | T841-S845 WeakPolarHBondContact O-CB 3.28Å; T841-S845 PolarHBondContact O-N 3.03Å; T842-S845 PolarHBondContact O-N 3.04Å; T842-S845 PolarHBondContact O-OG 3.38Å; C843-S845 VanDerWaalsContact C-N 3.31Å; C843-S845 PolarHBondContact O-N 2.87Å; S845-M848 PolarHBondContact O-N 3.46Å; S845-K849 PolarHBondContact O-N 3.1Å |
| 846 | K | 74.3 | Confident | 71.8 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 173.7 | -75.5 | -177.8 | 178.1 | -179.7 | 0 | 110.7 | T842 C843 L844 K849 N850 | T842-K846 PolarHBondContact O-N 3.33Å; C843-K846 PolarHBondContact O-N 3.46Å; L844-K846 PolarHBondContact O-N 3.39Å; K846-K849 PolarHBondContact O-N 3.15Å; K846-N850 PolarHBondContact O-N 3.39Å |
| 847 | L | 69.7 | Low | 70.1 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 20% | 0.199 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 175.9 | -69.1 | 166.6 | 0 | 0 | 0 | 112.7 | C843 L844 K849 N850 W856 I1007 | C843-L847 VanDerWaalsContact O-CG 3.3Å; C843-L847 WeakPolarHBondContact O-CG 3.49Å; C843-L847 PolarHBondContact O-N 3.17Å; L844-L847 WeakPolarHBondContact O-CB 3.38Å; L844-L847 PolarHBondContact O-N 3.17Å; L847-K849 VanDerWaalsContact C-N 3.29Å; L847-K849 PolarHBondContact O-N 3.22Å; L847-N850 PolarHBondContact O-N 3Å; L847-W856 HydrophobicContact CD1-CH2 3.37Å; L847-W856 HydrophobicContact CD1-CZ2 4.25Å; L847-W856 HydrophobicContact CD1-CZ3 3.66Å; L847-W856 HydrophobicContact CD2-CD2 4.34Å; L847-W856 HydrophobicContact CD2-CE3 4.12Å; L847-W856 HydrophobicContact CD2-CH2 3.46Å; L847-W856 VanDerWaalsContact CD2-CH2 3.46Å; L847-W856 HydrophobicContact CD2-CZ2 3.61Å; L847-W856 HydrophobicContact CD2-CZ3 3.71Å; L847-W856 HydrophobicContact CG-CH2 4.05Å; L847-W856 HydrophobicContact CG-CZ3 4.28Å; L847-I1007 HydrophobicContact CD1-CG1 4.18Å; L847-I1007 HydrophobicContact CD1-CG2 4.08Å |
| 848 | M | 68 | Low | 68.6 | Low | 126 Ų | 126 | 80.9 Ų | 80.9 | 62% | 0.621 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.2 | -30.4 | 177 | -70.2 | -91.7 | -116.1 | 0 | 0 | 112.8 | L844 S845 K1010 | L844-M848 VanDerWaalsContact O-CG 3.23Å; L844-M848 WeakPolarHBondContact O-CG 3.35Å; L844-M848 PolarHBondContact O-N 2.84Å; S845-M848 PolarHBondContact O-N 3.46Å; M848-K1010 PolarHBondContact SD-NZ 2.87Å; M848-K1010 VanDerWaalsContact SD-NZ 3.36Å |
| 849 | K | 63 | Low | 67 | Low | 173 Ų | 173 | 82.7 Ų | 82.7 | 75% | 0.752 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -80.7 | -26.8 | 179.7 | -73.4 | 178.3 | 179.5 | 174.1 | 0 | 113.7 | S845 K846 L847 | S845-K849 PolarHBondContact O-N 3.1Å; K846-K849 PolarHBondContact O-N 3.15Å; L847-K849 VanDerWaalsContact C-N 3.29Å; L847-K849 PolarHBondContact O-N 3.22Å |
| 850 | N | 58.9 | Low | 65.9 | Low | 74 Ų | 74 | 83.5 Ų | 83.5 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | trans | -101.5 | 91 | -176.3 | -70.2 | -12 | 0 | 0 | 0 | 110.6 | K846 L847 K852 F859 | K846-N850 PolarHBondContact O-N 3.39Å; L847-N850 PolarHBondContact O-N 3Å; N850-K852 VanDerWaalsContact C-N 3.29Å; N850-K852 PolarHBondContact O-N 3.34Å; N850-F859 WeakPolarHBondContact ND2-CE1 3.43Å | ||
| 851 | S | 50.2 | Low | 65 | Low | 119 Ų | 119 | 85.5 Ų | 85.5 | 83% | 0.832 | 44% | 0.436 | S | S | * | . | trans | -81.2 | 4 | -177.8 | 59.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 852 | K | 51 | Low | 64.1 | Low | 175 Ų | 175 | 86.4 Ų | 86.4 | 76% | 0.761 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -111 | 141.4 | -176.9 | -68.4 | -174.4 | 177.6 | -178 | 0 | 110.6 | N850 S854 | N850-K852 VanDerWaalsContact C-N 3.29Å; N850-K852 PolarHBondContact O-N 3.34Å; K852-S854 PolarHBondContact O-N 3.23Å; K852-S854 PolarHBondContact O-OG 3.29Å |
| 853 | N | 50.5 | Low | 63.5 | Low | 183 Ų | 183 | 86 Ų | 86 | 98% | 0.979 | 44% | 0.44 | S | S | * | . | trans | -53.9 | 53.5 | 178 | -80.1 | -12.2 | 0 | 0 | 0 | 115.3 | ||||
| 854 | S | 50.7 | Low | 63.2 | Low | 44 Ų | 44 | 86 Ų | 86 | 31% | 0.308 | 44% | 0.439 | S | S | . | . | trans | -84.1 | 138.9 | 175 | 54 | 0 | 0 | 0 | 0 | 109.9 | K852 W856 F859 | K852-S854 PolarHBondContact O-N 3.23Å; K852-S854 PolarHBondContact O-OG 3.29Å; S854-W856 PolarHBondContact O-N 3.48Å; S854-F859 VanDerWaalsContact CB-CE2 3.47Å; S854-F859 WeakPolarHBondContact OG-CE2 3.4Å; S854-F859 WeakPolarHBondContact OG-CZ 2.91Å | ||
| 855 | K | 55.7 | Low | 63 | Low | 164 Ų | 164 | 86.5 Ų | 86.5 | 71% | 0.713 | 44% | 0.44 | S | S | * | . | trans | -59.1 | 126.3 | -176.6 | -71.4 | -176.8 | 175.7 | -176 | 0 | 110.4 | N857 Q858 | K855-N857 VanDerWaalsContact C-N 3.28Å; K855-N857 PolarHBondContact O-N 3.09Å; K855-Q858 HydrophobicContact CB-CG 4.23Å; K855-Q858 VanDerWaalsContact O-CB 3.29Å; K855-Q858 WeakPolarHBondContact O-CB 3.47Å; K855-Q858 PolarHBondContact O-N 2.98Å | ||
| 856 | W | 53.6 | Low | 62.8 | Low | 40 Ų | 40 | 89 Ų | 89 | 15% | 0.152 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -54.7 | -39.7 | -176.3 | -80.2 | 68.9 | 0 | 0 | 0 | 113.9 | L847 S854 Q858 F859 I860 Y865 I1007 K1010 L1011 | L847-W856 HydrophobicContact CD1-CH2 3.37Å; L847-W856 HydrophobicContact CD1-CZ2 4.25Å; L847-W856 HydrophobicContact CD1-CZ3 3.66Å; L847-W856 HydrophobicContact CD2-CD2 4.34Å; L847-W856 HydrophobicContact CD2-CE3 4.12Å; L847-W856 HydrophobicContact CD2-CH2 3.46Å; L847-W856 VanDerWaalsContact CD2-CH2 3.46Å; L847-W856 HydrophobicContact CD2-CZ2 3.61Å; L847-W856 HydrophobicContact CD2-CZ3 3.71Å; L847-W856 HydrophobicContact CG-CH2 4.05Å; L847-W856 HydrophobicContact CG-CZ3 4.28Å; S854-W856 PolarHBondContact O-N 3.48Å; W856-Q858 PolarHBondContact O-N 3.27Å; W856-F859 PolarHBondContact O-N 3.13Å; W856-I860 HydrophobicContact CE3-CD1 4.4Å; W856-I860 PolarHBondContact O-N 3.37Å; W856-Y865 HydrophobicContact CB-CD2 4.41Å; W856-Y865 HydrophobicContact CB-CE2 3.89Å; W856-Y865 HydrophobicContact CD2-CE2 4.28Å; W856-Y865 HydrophobicContact CE3-CD2 4.26Å; W856-Y865 AromaticContact CE3-CE2 3.88Å; W856-Y865 HydrophobicContact CE3-CE2 3.88Å; W856-Y865 HydrophobicContact CG-CE2 4.34Å; W856-I1007 HydrophobicContact CH2-CG2 4.09Å; W856-I1007 HydrophobicContact CZ3-CG2 4.05Å; W856-K1010 HydrophobicContact CH2-CB 4.32Å; W856-K1010 HydrophobicContact CZ2-CB 4.12Å; W856-K1010 VanDerWaalsContact CZ2-O 3.29Å; W856-K1010 WeakPolarHBondContact CZ2-O 3.4Å; W856-L1011 HydrophobicContact CD2-CD2 3.51Å; W856-L1011 HydrophobicContact CE3-CD2 3.27Å; W856-L1011 HydrophobicContact CE3-CG 4.36Å; W856-L1011 HydrophobicContact CG-CD2 4.32Å; W856-L1011 HydrophobicContact CH2-CB 4.5Å; W856-L1011 HydrophobicContact CH2-CD2 3.44Å; W856-L1011 VanDerWaalsContact CH2-CD2 3.44Å; W856-L1011 HydrophobicContact CH2-CG 3.65Å; W856-L1011 HydrophobicContact CZ2-CB 4.45Å; W856-L1011 HydrophobicContact CZ2-CD2 3.73Å; W856-L1011 HydrophobicContact CZ2-CG 4.04Å; W856-L1011 HydrophobicContact CZ3-CD2 3.22Å; W856-L1011 HydrophobicContact CZ3-CG 3.86Å |
| 857 | N | 55.5 | Low | 63 | Low | 118 Ų | 118 | 85 Ų | 85 | 63% | 0.631 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -61.8 | -7.7 | 177.8 | -56.8 | 10.2 | 0 | 0 | 0 | 113.3 | K855 | K855-N857 VanDerWaalsContact C-N 3.28Å; K855-N857 PolarHBondContact O-N 3.09Å |
| 858 | Q | 59.4 | Low | 63.4 | Low | 138 Ų | 138 | 83.2 Ų | 83.2 | 65% | 0.645 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -88.3 | -17.6 | 174.2 | -64.3 | -178.5 | -27.2 | 0 | 0 | 113.6 | K855 W856 | K855-Q858 HydrophobicContact CB-CG 4.23Å; K855-Q858 VanDerWaalsContact O-CB 3.29Å; K855-Q858 WeakPolarHBondContact O-CB 3.47Å; K855-Q858 PolarHBondContact O-N 2.98Å; W856-Q858 PolarHBondContact O-N 3.27Å |
| 859 | F | 57.4 | Low | 63.7 | Low | 88 Ų | 88 | 78.6 Ų | 78.6 | 39% | 0.386 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -22.3 | -173.7 | -67.2 | -84.4 | 0 | 0 | 0 | 114.6 | N850 S854 W856 | N850-F859 WeakPolarHBondContact ND2-CE1 3.43Å; S854-F859 VanDerWaalsContact CB-CE2 3.47Å; S854-F859 WeakPolarHBondContact OG-CE2 3.4Å; S854-F859 WeakPolarHBondContact OG-CZ 2.91Å; W856-F859 PolarHBondContact O-N 3.13Å |
| 860 | I | 66.1 | Low | 64.5 | Low | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -130.3 | 130.7 | -175.8 | -61 | 177.3 | 0 | 0 | 0 | 107.4 | C843 W856 L864 I868 | C843-I860 HydrophobicContact CB-CD1 4.37Å; W856-I860 HydrophobicContact CE3-CD1 4.4Å; W856-I860 PolarHBondContact O-N 3.37Å; I860-L864 HydrophobicContact CG2-CB 3.75Å; I860-L864 HydrophobicContact CG2-CD2 3.82Å; I860-L864 HydrophobicContact CG2-CG 4.11Å; I860-I868 HydrophobicContact CD1-CD1 4.2Å; I860-I868 HydrophobicContact CG2-CD1 4.21Å |
| 861 | D | 68.9 | Low | 65.3 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | trans | -48.7 | 140.5 | 172.2 | -176.4 | -90.2 | 0 | 0 | 0 | 111.3 | E775 M863 L864 Y865 | E775-D861 HydrophobicContact CG-CB 4.24Å; D861-M863 PolarHBondContact O-N 2.82Å; D861-M863 WeakPolarHBondContact OD1-CA 3.4Å; D861-M863 VanDerWaalsContact OD1-CB 3.31Å; D861-M863 WeakPolarHBondContact OD1-CB 3.48Å; D861-M863 PolarHBondContact OD1-N 3.24Å; D861-L864 HydrophobicContact CB-CB 4.13Å; D861-L864 PolarHBondContact O-N 2.85Å; D861-L864 VanDerWaalsContact O-N 3.08Å; D861-Y865 WeakPolarHBondContact O-CB 3.33Å; D861-Y865 PolarHBondContact O-N 3.13Å | ||
| 862 | S | 69.7 | Low | 66.8 | Low | 79 Ų | 79 | 68.8 Ų | 68.8 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.6 | -35.6 | -176.7 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | E866 | S862-E866 WeakPolarHBondContact O-CG 3.31Å; S862-E866 PolarHBondContact O-N 2.95Å |
| 863 | M | 70.3 | Confident | 68.6 | Low | 35 Ų | 35 | 60.4 Ų | 60.4 | 17% | 0.172 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.8 | -38 | 177.3 | -64 | -151.9 | -64.4 | 0 | 0 | 112.4 | D785 I786 D861 Y865 E866 F867 | D785-M863 HydrophobicContact CB-SD 3.61Å; I786-M863 HydrophobicContact CD1-CB 4.42Å; D861-M863 PolarHBondContact O-N 2.82Å; D861-M863 WeakPolarHBondContact OD1-CA 3.4Å; D861-M863 VanDerWaalsContact OD1-CB 3.31Å; D861-M863 WeakPolarHBondContact OD1-CB 3.48Å; D861-M863 PolarHBondContact OD1-N 3.24Å; M863-Y865 VanDerWaalsContact C-N 3.29Å; M863-E866 PolarHBondContact O-N 3.1Å; M863-F867 PolarHBondContact O-N 2.82Å |
| 864 | L | 75.8 | Confident | 70.3 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 174.7 | -162.4 | 78.6 | 0 | 0 | 0 | 110.4 | I786 I839 I860 D861 F867 I868 | I786-L864 HydrophobicContact CD1-CB 4.48Å; I786-L864 HydrophobicContact CD1-CD1 3.99Å; I786-L864 HydrophobicContact CG2-CD1 4.5Å; I839-L864 HydrophobicContact CG2-CD1 4Å; I839-L864 HydrophobicContact CG2-CD2 4.22Å; I839-L864 HydrophobicContact CG2-CG 4.39Å; I860-L864 HydrophobicContact CG2-CB 3.75Å; I860-L864 HydrophobicContact CG2-CD2 3.82Å; I860-L864 HydrophobicContact CG2-CG 4.11Å; D861-L864 HydrophobicContact CB-CB 4.13Å; D861-L864 PolarHBondContact O-N 2.85Å; D861-L864 VanDerWaalsContact O-N 3.08Å; L864-F867 PolarHBondContact O-N 3Å; L864-I868 HydrophobicContact CD2-CD1 4.22Å; L864-I868 HydrophobicContact CG-CD1 4.03Å; L864-I868 WeakPolarHBondContact O-CB 3.28Å; L864-I868 WeakPolarHBondContact O-CD1 3.38Å; L864-I868 WeakPolarHBondContact O-CG1 3.48Å; L864-I868 PolarHBondContact O-N 2.98Å |
| 865 | Y | 75.1 | Confident | 71.9 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 173.9 | -178.4 | -92.8 | 0 | 0 | 0 | 111.2 | W856 D861 M863 F867 I868 C869 L1011 N1015 | W856-Y865 HydrophobicContact CB-CD2 4.41Å; W856-Y865 HydrophobicContact CB-CE2 3.89Å; W856-Y865 HydrophobicContact CD2-CE2 4.28Å; W856-Y865 HydrophobicContact CE3-CD2 4.26Å; W856-Y865 AromaticContact CE3-CE2 3.88Å; W856-Y865 HydrophobicContact CE3-CE2 3.88Å; W856-Y865 HydrophobicContact CG-CE2 4.34Å; D861-Y865 WeakPolarHBondContact O-CB 3.33Å; D861-Y865 PolarHBondContact O-N 3.13Å; M863-Y865 VanDerWaalsContact C-N 3.29Å; Y865-F867 PolarHBondContact O-N 2.98Å; Y865-I868 PolarHBondContact O-N 3.23Å; Y865-C869 WeakPolarHBondContact O-CB 3.4Å; Y865-C869 PolarHBondContact O-N 3.38Å; Y865-C869 PolarHBondContact O-SG 2.83Å; Y865-L1011 HydrophobicContact CE2-CD2 3.49Å; Y865-L1011 VanDerWaalsContact CE2-CD2 3.49Å; Y865-N1015 WeakPolarHBondContact OH-CB 3.38Å; Y865-N1015 PolarHBondContact OH-ND2 3.39Å |
| 866 | E | 75.3 | Confident | 73.4 | Confident | 103 Ų | 103 | 44.3 Ų | 44.3 | 48% | 0.481 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 174.3 | -77.4 | -175.7 | -175.6 | 0 | 0 | 113.1 | S862 M863 C869 C870 | S862-E866 WeakPolarHBondContact O-CG 3.31Å; S862-E866 PolarHBondContact O-N 2.95Å; M863-E866 PolarHBondContact O-N 3.1Å; E866-C869 CarbonylContact O-C 3.58Å; E866-C869 PolarHBondContact O-N 3.3Å; E866-C870 PolarHBondContact O-N 2.94Å; E866-C870 VanDerWaalsContact O-N 3.08Å |
| 867 | F | 79.1 | Confident | 75.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 175 | 174.6 | -116.6 | 0 | 0 | 0 | 112.2 | I786 R787 F790 I836 M863 L864 Y865 C869 C870 L873 | I786-F867 HydrophobicContact CG2-CB 4.26Å; I786-F867 HydrophobicContact CG2-CD1 4.22Å; I786-F867 HydrophobicContact CG2-CG 4.13Å; R787-F867 HydrophobicContact CB-CB 4.13Å; R787-F867 HydrophobicContact CB-CD2 4.09Å; R787-F867 HydrophobicContact CG-CD2 4.28Å; F790-F867 HydrophobicContact CB-CE2 3.78Å; F790-F867 HydrophobicContact CB-CZ 3.88Å; F790-F867 HydrophobicContact CD2-CZ 4.24Å; F790-F867 HydrophobicContact CG-CE2 4.46Å; F790-F867 HydrophobicContact CG-CZ 4.15Å; I836-F867 HydrophobicContact CD1-CZ 4.27Å; I836-F867 HydrophobicContact CG1-CE1 4.44Å; I836-F867 HydrophobicContact CG1-CZ 4.03Å; I836-F867 HydrophobicContact CG2-CE1 4.39Å; I836-F867 HydrophobicContact CG2-CZ 4.26Å; M863-F867 PolarHBondContact O-N 2.82Å; L864-F867 PolarHBondContact O-N 3Å; Y865-F867 PolarHBondContact O-N 2.98Å; F867-C869 PolarHBondContact O-N 2.89Å; F867-C870 WeakPolarHBondContact O-CB 3.28Å; F867-C870 PolarHBondContact O-N 3.27Å; F867-L873 HydrophobicContact CE1-CD2 4.38Å; F867-L873 HydrophobicContact CE2-CD2 4.33Å; F867-L873 HydrophobicContact CZ-CD1 4.34Å; F867-L873 HydrophobicContact CZ-CD2 3.94Å |
| 868 | I | 76.5 | Confident | 76.6 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -34.6 | 176 | -68 | 165.1 | 0 | 0 | 0 | 110.7 | L840 C843 I860 L864 Y865 C870 W1004 I1007 Q1008 | L840-I868 HydrophobicContact CD2-CG1 4.13Å; L840-I868 HydrophobicContact CD2-CG2 4.41Å; C843-I868 HydrophobicContact CB-CD1 4.27Å; I860-I868 HydrophobicContact CD1-CD1 4.2Å; I860-I868 HydrophobicContact CG2-CD1 4.21Å; L864-I868 HydrophobicContact CD2-CD1 4.22Å; L864-I868 HydrophobicContact CG-CD1 4.03Å; L864-I868 WeakPolarHBondContact O-CB 3.28Å; L864-I868 WeakPolarHBondContact O-CD1 3.38Å; L864-I868 WeakPolarHBondContact O-CG1 3.48Å; L864-I868 PolarHBondContact O-N 2.98Å; Y865-I868 PolarHBondContact O-N 3.23Å; I868-C870 VanDerWaalsContact C-N 3.25Å; I868-C870 PolarHBondContact O-N 3.3Å; I868-W1004 PolarHBondContact O-NE1 2.82Å; I868-I1007 HydrophobicContact CG2-CD1 4.47Å; I868-I1007 HydrophobicContact CG2-CG2 3.63Å; I868-Q1008 PolarHBondContact O-NE2 3.05Å; I868-Q1008 VanDerWaalsContact O-NE2 3.11Å |
| 869 | C | 75 | Confident | 77.8 | Confident | 28 Ų | 28 | 34.1 Ų | 34.1 | 19% | 0.189 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3.3 | 175.3 | -63.6 | 0 | 0 | 0 | 0 | 114 | Y865 E866 F867 K871 | Y865-C869 WeakPolarHBondContact O-CB 3.4Å; Y865-C869 PolarHBondContact O-N 3.38Å; Y865-C869 PolarHBondContact O-SG 2.83Å; E866-C869 CarbonylContact O-C 3.58Å; E866-C869 PolarHBondContact O-N 3.3Å; F867-C869 PolarHBondContact O-N 2.89Å; C869-K871 PolarHBondContact O-N 3.28Å |
| 870 | C | 79.3 | Confident | 79.3 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.027 | 16% | 0.158 | C | C | . | . | trans | -72.7 | 128.1 | -175.7 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | R787 L791 E866 F867 I868 E872 W1004 | R787-C870 HydrophobicContact CG-CB 4.41Å; R787-C870 PolarHBondContact NE-SG 2.96Å; L791-C870 VanDerWaalsContact CD1-SG 3.5Å; E866-C870 PolarHBondContact O-N 2.94Å; E866-C870 VanDerWaalsContact O-N 3.08Å; F867-C870 WeakPolarHBondContact O-CB 3.28Å; F867-C870 PolarHBondContact O-N 3.27Å; I868-C870 VanDerWaalsContact C-N 3.25Å; I868-C870 PolarHBondContact O-N 3.3Å; C870-E872 PolarHBondContact SG-N 2.94Å; C870-E872 VanDerWaalsContact SG-N 3.43Å; C870-W1004 PolarHBondContact O-NE1 2.84Å | ||
| 871 | K | 75.5 | Confident | 80.3 | Confident | 98 Ų | 98 | 29.3 Ų | 29.3 | 43% | 0.426 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.2 | 178.1 | -51.7 | -174.7 | -172.3 | 176.2 | 0 | 113.7 | C869 L873 P874 I1017 E1021 | C869-K871 PolarHBondContact O-N 3.28Å; K871-L873 VanDerWaalsContact C-N 3.29Å; K871-L873 PolarHBondContact O-N 3.16Å; K871-P874 VanDerWaalsContact O-CD 3.31Å; K871-P874 WeakPolarHBondContact O-CD 3.46Å; K871-P874 WeakPolarHBondContact O-CG 3.31Å; K871-I1017 HydrophobicContact CD-CD1 4.28Å; K871-I1017 HydrophobicContact CD-CG1 4.23Å; K871-I1017 HydrophobicContact CD-CG2 4.26Å; K871-I1017 HydrophobicContact CG-CD1 3.77Å; K871-I1017 HydrophobicContact CG-CG1 4.03Å; K871-E1021 IonicContact NZ-OE2 2.9Å; K871-E1021 PolarHBondContact NZ-OE2 3.1Å |
| 872 | E | 83.1 | Confident | 81 | Confident | 58 Ų | 58 | 28.7 Ų | 28.7 | 27% | 0.271 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -70.6 | -24.5 | -177.5 | -65 | 166.1 | -124.3 | 0 | 0 | 112.7 | R787 L791 K795 C870 S875 L876 | R787-E872 IonicContact CZ-OE1 3.74Å; R787-E872 IonicContact NH2-OE1 3.97Å; R787-E872 PolarHBondContact NH2-OE1 3.41Å; L791-E872 HydrophobicContact CD1-CB 4.09Å; L791-E872 HydrophobicContact CD2-CB 3.81Å; K795-E872 WeakPolarHBondContact CE-OE2 3.37Å; K795-E872 IonicContact NZ-OE2 3.17Å; K795-E872 PolarHBondContact NZ-OE2 2.92Å; C870-E872 PolarHBondContact SG-N 2.94Å; C870-E872 VanDerWaalsContact SG-N 3.43Å; E872-S875 WeakPolarHBondContact CA-OG 3.3Å; E872-S875 PolarHBondContact O-OG 2.97Å; E872-L876 WeakPolarHBondContact O-CB 3.34Å; E872-L876 WeakPolarHBondContact O-CD1 3.33Å; E872-L876 WeakPolarHBondContact O-CG 3.38Å; E872-L876 PolarHBondContact O-N 3.47Å; E872-L876 VanDerWaalsContact O-N 3.07Å |
| 873 | L | 87.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -55.3 | -177.8 | 175.6 | 62.5 | 0 | 0 | 0 | 112.7 | L791 L794 I836 L840 F867 K871 S875 L876 C877 I1000 | L791-L873 HydrophobicContact CD2-CB 4.21Å; L794-L873 HydrophobicContact CD1-CD1 3.46Å; L794-L873 VanDerWaalsContact CD1-CD1 3.46Å; I836-L873 HydrophobicContact CD1-CD1 4.11Å; I836-L873 HydrophobicContact CG2-CD1 4.11Å; I836-L873 HydrophobicContact CG2-CD2 3.96Å; L840-L873 HydrophobicContact CD1-CD2 4.41Å; F867-L873 HydrophobicContact CE1-CD2 4.38Å; F867-L873 HydrophobicContact CE2-CD2 4.33Å; F867-L873 HydrophobicContact CZ-CD1 4.34Å; F867-L873 HydrophobicContact CZ-CD2 3.94Å; K871-L873 VanDerWaalsContact C-N 3.29Å; K871-L873 PolarHBondContact O-N 3.16Å; L873-S875 VanDerWaalsContact C-N 3.31Å; L873-S875 PolarHBondContact O-N 2.68Å; L873-L876 PolarHBondContact O-N 3.25Å; L873-C877 PolarHBondContact O-N 3.15Å; L873-C877 VanDerWaalsContact O-N 3.08Å; L873-C877 PolarHBondContact O-SG 3.38Å; L873-I1000 HydrophobicContact CD1-CG2 4.4Å; L873-I1000 HydrophobicContact CD2-CG2 4.36Å; L873-I1000 HydrophobicContact CG-CG2 4.31Å |
| 874 | P | 86.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.2 | -36.2 | 177.4 | 24 | -34.9 | 0 | 0 | 0 | 112.2 | K871 C877 L878 I1001 W1004 L1025 I1029 | K871-P874 VanDerWaalsContact O-CD 3.31Å; K871-P874 WeakPolarHBondContact O-CD 3.46Å; K871-P874 WeakPolarHBondContact O-CG 3.31Å; P874-C877 PolarHBondContact O-N 2.87Å; P874-L878 VanDerWaalsContact O-CG 3.23Å; P874-L878 WeakPolarHBondContact O-CG 3.13Å; P874-L878 PolarHBondContact O-N 2.88Å; P874-I1001 HydrophobicContact CB-CG2 4.37Å; P874-W1004 HydrophobicContact CB-CD2 4.29Å; P874-W1004 HydrophobicContact CB-CE3 4.1Å; P874-W1004 HydrophobicContact CB-CZ3 4.32Å; P874-W1004 HydrophobicContact CG-CD2 3.95Å; P874-W1004 HydrophobicContact CG-CE3 3.96Å; P874-W1004 HydrophobicContact CG-CH2 3.81Å; P874-W1004 HydrophobicContact CG-CZ2 3.78Å; P874-W1004 HydrophobicContact CG-CZ3 3.9Å; P874-L1025 HydrophobicContact CB-CD2 4.26Å; P874-L1025 HydrophobicContact CG-CD2 3.7Å; P874-I1029 HydrophobicContact CB-CD1 4.35Å |
| 875 | S | 84.2 | Confident | 82.6 | Confident | 43 Ų | 43 | 23 Ų | 23 | 30% | 0.301 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62.2 | -46 | 178 | 61.5 | 0 | 0 | 0 | 0 | 112 | E872 L873 C877 L878 E879 | E872-S875 WeakPolarHBondContact CA-OG 3.3Å; E872-S875 PolarHBondContact O-OG 2.97Å; L873-S875 VanDerWaalsContact C-N 3.31Å; L873-S875 PolarHBondContact O-N 2.68Å; S875-C877 VanDerWaalsContact C-N 3.34Å; S875-C877 PolarHBondContact O-N 3.36Å; S875-L878 WeakPolarHBondContact O-CB 3.44Å; S875-L878 PolarHBondContact O-N 2.93Å; S875-E879 WeakPolarHBondContact O-CG 3.48Å; S875-E879 PolarHBondContact O-N 2.89Å |
| 876 | L | 87.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 176.8 | -68.8 | 167.3 | 0 | 0 | 0 | 112.3 | L791 L794 K795 E872 L873 E879 L880 | L791-L876 HydrophobicContact CD2-CD1 3.88Å; L794-L876 HydrophobicContact CB-CB 4.04Å; L794-L876 HydrophobicContact CB-CD1 3.67Å; L794-L876 HydrophobicContact CB-CG 4.36Å; L794-L876 HydrophobicContact CD1-CB 4.45Å; L794-L876 HydrophobicContact CD1-CD1 4.5Å; K795-L876 HydrophobicContact CG-CD1 3.92Å; K795-L876 HydrophobicContact CG-CD2 3.99Å; E872-L876 WeakPolarHBondContact O-CB 3.34Å; E872-L876 WeakPolarHBondContact O-CD1 3.33Å; E872-L876 WeakPolarHBondContact O-CG 3.38Å; E872-L876 PolarHBondContact O-N 3.47Å; E872-L876 VanDerWaalsContact O-N 3.07Å; L873-L876 PolarHBondContact O-N 3.25Å; L876-E879 PolarHBondContact O-N 2.88Å; L876-L880 WeakPolarHBondContact O-CB 3.48Å; L876-L880 PolarHBondContact O-N 3.14Å |
| 877 | C | 89.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 175.8 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | L873 P874 S875 L880 C881 C997 I1001 | L873-C877 PolarHBondContact O-N 3.15Å; L873-C877 VanDerWaalsContact O-N 3.08Å; L873-C877 PolarHBondContact O-SG 3.38Å; P874-C877 PolarHBondContact O-N 2.87Å; S875-C877 VanDerWaalsContact C-N 3.34Å; S875-C877 PolarHBondContact O-N 3.36Å; C877-L880 PolarHBondContact O-N 3.45Å; C877-C881 WeakPolarHBondContact O-CB 3.11Å; C877-C881 PolarHBondContact O-N 3.4Å; C877-C881 PolarHBondContact O-SG 2.71Å; C877-C997 HydrophobicContact CB-CB 4.2Å; C877-I1001 HydrophobicContact CB-CG2 3.58Å |
| 878 | L | 87.3 | Confident | 82.4 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 8% | 0.079 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.3 | -70.1 | 171 | 0 | 0 | 0 | 111.4 | P874 S875 C881 N882 I1001 L1025 K1028 Q1032 | P874-L878 VanDerWaalsContact O-CG 3.23Å; P874-L878 WeakPolarHBondContact O-CG 3.13Å; P874-L878 PolarHBondContact O-N 2.88Å; S875-L878 WeakPolarHBondContact O-CB 3.44Å; S875-L878 PolarHBondContact O-N 2.93Å; L878-C881 WeakPolarHBondContact O-CB 3.28Å; L878-C881 PolarHBondContact O-N 3.24Å; L878-N882 PolarHBondContact O-N 3.5Å; L878-I1001 HydrophobicContact CD2-CD1 4.19Å; L878-L1025 HydrophobicContact CD1-CD1 4.36Å; L878-K1028 HydrophobicContact CD1-CB 3.88Å; L878-Q1032 HydrophobicContact CD2-CB 3.47Å; L878-Q1032 VanDerWaalsContact CD2-CB 3.47Å; L878-Q1032 HydrophobicContact CD2-CG 3.61Å |
| 879 | E | 85.4 | Confident | 81.9 | Confident | 66 Ų | 66 | 22.8 Ų | 22.8 | 31% | 0.308 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.5 | -70.7 | 178.3 | -155.8 | 0 | 0 | 112.3 | S798 T801 S875 L876 C881 N882 L883 | S798-E879 WeakPolarHBondContact CB-OE2 3.34Å; T801-E879 HydrophobicContact CG2-CB 3.94Å; T801-E879 VanDerWaalsContact CG2-O 3.26Å; T801-E879 WeakPolarHBondContact CG2-O 3.37Å; T801-E879 PolarHBondContact OG1-OE2 3.34Å; T801-E879 VanDerWaalsContact OG1-OE2 3.11Å; S875-E879 WeakPolarHBondContact O-CG 3.48Å; S875-E879 PolarHBondContact O-N 2.89Å; L876-E879 PolarHBondContact O-N 2.88Å; E879-C881 VanDerWaalsContact C-N 3.3Å; E879-C881 PolarHBondContact O-N 3.43Å; E879-N882 WeakPolarHBondContact O-CB 3.42Å; E879-N882 PolarHBondContact O-N 3Å; E879-N882 VanDerWaalsContact O-N 3.12Å; E879-L883 PolarHBondContact O-N 2.62Å |
| 880 | L | 87.4 | Confident | 81.9 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -41.3 | 174.4 | -86.9 | 168.1 | 0 | 0 | 0 | 112.5 | L794 F797 L833 L876 C877 N882 L883 C884 T993 | L794-L880 HydrophobicContact CD2-CD1 3.73Å; F797-L880 HydrophobicContact CB-CD1 4.48Å; F797-L880 HydrophobicContact CB-CD2 3.44Å; F797-L880 VanDerWaalsContact CB-CD2 3.44Å; F797-L880 HydrophobicContact CB-CG 4.18Å; F797-L880 HydrophobicContact CD1-CD2 4.38Å; F797-L880 HydrophobicContact CG-CD2 3.97Å; L833-L880 HydrophobicContact CD2-CD1 4.32Å; L876-L880 WeakPolarHBondContact O-CB 3.48Å; L876-L880 PolarHBondContact O-N 3.14Å; C877-L880 PolarHBondContact O-N 3.45Å; L880-N882 VanDerWaalsContact C-N 3.3Å; L880-N882 PolarHBondContact O-N 3.34Å; L880-L883 WeakPolarHBondContact O-CB 3.37Å; L880-L883 PolarHBondContact O-N 2.95Å; L880-C884 PolarHBondContact O-N 2.95Å; L880-C884 PolarHBondContact O-SG 3.46Å; L880-C884 VanDerWaalsContact O-SG 3.34Å; L880-T993 HydrophobicContact CB-CG2 4.48Å; L880-T993 HydrophobicContact CD2-CG2 4.39Å |
| 881 | C | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.9 | -44.1 | 174.6 | -73.7 | 0 | 0 | 0 | 0 | 111.5 | C877 L878 E879 C884 L885 L994 C997 Q1032 Q1036 | C877-C881 WeakPolarHBondContact O-CB 3.11Å; C877-C881 PolarHBondContact O-N 3.4Å; C877-C881 PolarHBondContact O-SG 2.71Å; L878-C881 WeakPolarHBondContact O-CB 3.28Å; L878-C881 PolarHBondContact O-N 3.24Å; E879-C881 VanDerWaalsContact C-N 3.3Å; E879-C881 PolarHBondContact O-N 3.43Å; C881-C884 PolarHBondContact O-N 2.84Å; C881-L885 WeakPolarHBondContact O-CG 3.49Å; C881-L885 PolarHBondContact O-N 3.39Å; C881-L994 HydrophobicContact CB-CD2 4.06Å; C881-C997 WeakPolarHBondContact SG-CB 3.32Å; C881-Q1032 HydrophobicContact CB-CG 4.1Å; C881-Q1036 PolarHBondContact SG-NE2 3.22Å |
| 882 | N | 84.2 | Confident | 81.4 | Confident | 29 Ų | 29 | 21 Ų | 21 | 16% | 0.155 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 176.4 | -79.6 | -19.8 | 0 | 0 | 0 | 112.3 | L878 E879 L880 C884 L885 F886 I892 C893 Q1032 | L878-N882 PolarHBondContact O-N 3.5Å; E879-N882 WeakPolarHBondContact O-CB 3.42Å; E879-N882 PolarHBondContact O-N 3Å; E879-N882 VanDerWaalsContact O-N 3.12Å; L880-N882 VanDerWaalsContact C-N 3.3Å; L880-N882 PolarHBondContact O-N 3.34Å; N882-C884 PolarHBondContact O-N 2.9Å; N882-L885 PolarHBondContact O-N 2.95Å; N882-F886 WeakPolarHBondContact O-CB 3.34Å; N882-F886 PolarHBondContact O-N 2.86Å; N882-I892 HydrophobicContact CB-CB 4.2Å; N882-I892 HydrophobicContact CB-CG2 4.11Å; N882-I892 WeakPolarHBondContact O-CG2 3.36Å; N882-C893 PolarHBondContact ND2-O 3.46Å; N882-C893 WeakPolarHBondContact OD1-CB 3.13Å; N882-C893 PolarHBondContact OD1-N 3.01Å; N882-Q1032 PolarHBondContact OD1-NE2 3.01Å; N882-Q1032 VanDerWaalsContact OD1-NE2 3.15Å; N882-Q1032 PolarHBondContact OD1-OE1 3.38Å |
| 883 | L | 82.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 172 | -177 | 62 | 0 | 0 | 0 | 111.4 | L800 T801 T804 F816 E879 L880 L885 F886 T887 W989 | L800-L883 HydrophobicContact CB-CD1 4.28Å; L800-L883 HydrophobicContact CB-CD2 3.84Å; L800-L883 HydrophobicContact CD1-CD2 3.96Å; T801-L883 HydrophobicContact CG2-CB 3.7Å; T801-L883 HydrophobicContact CG2-CD2 4.28Å; T801-L883 HydrophobicContact CG2-CG 4.41Å; T804-L883 HydrophobicContact CG2-CD1 4.15Å; F816-L883 HydrophobicContact CE2-CD1 3.88Å; F816-L883 HydrophobicContact CZ-CD1 3.82Å; E879-L883 PolarHBondContact O-N 2.62Å; L880-L883 WeakPolarHBondContact O-CB 3.37Å; L880-L883 PolarHBondContact O-N 2.95Å; L883-L885 VanDerWaalsContact C-N 3.35Å; L883-L885 PolarHBondContact O-N 2.88Å; L883-F886 WeakPolarHBondContact O-CB 3.28Å; L883-F886 PolarHBondContact O-N 3.03Å; L883-T887 HydrophobicContact CD1-CG2 4.47Å; L883-T887 WeakPolarHBondContact O-CG2 3.41Å; L883-T887 PolarHBondContact O-N 3.39Å; L883-T887 PolarHBondContact O-OG1 3.24Å; L883-W989 HydrophobicContact CD2-CH2 4.01Å |
| 884 | C | 85.3 | Confident | 80 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 179.3 | -67.4 | 0 | 0 | 0 | 0 | 111.9 | L880 C881 N882 T887 M888 T993 L994 | L880-C884 PolarHBondContact O-N 2.95Å; L880-C884 PolarHBondContact O-SG 3.46Å; L880-C884 VanDerWaalsContact O-SG 3.34Å; C881-C884 PolarHBondContact O-N 2.84Å; N882-C884 PolarHBondContact O-N 2.9Å; C884-T887 WeakPolarHBondContact CA-OG1 3.11Å; C884-T887 PolarHBondContact O-N 2.81Å; C884-T887 PolarHBondContact O-OG1 2.75Å; C884-M888 WeakPolarHBondContact O-CG 3.33Å; C884-M888 PolarHBondContact O-N 3.46Å; C884-M888 VanDerWaalsContact O-N 3.15Å; C884-T993 WeakPolarHBondContact SG-CG2 3.44Å; C884-L994 HydrophobicContact CB-CD1 3.81Å; C884-L994 HydrophobicContact CB-CD2 3.9Å; C884-L994 HydrophobicContact CB-CG 3.53Å |
| 885 | L | 80.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 173.9 | -72.1 | 170.9 | 0 | 0 | 0 | 111.5 | C881 N882 L883 T887 M888 G889 C890 L994 Q1036 Q1039 | C881-L885 WeakPolarHBondContact O-CG 3.49Å; C881-L885 PolarHBondContact O-N 3.39Å; N882-L885 PolarHBondContact O-N 2.95Å; L883-L885 VanDerWaalsContact C-N 3.35Å; L883-L885 PolarHBondContact O-N 2.88Å; L885-T887 PolarHBondContact O-N 3.29Å; L885-M888 HydrophobicContact CD2-CE 3.98Å; L885-M888 CarbonylContact O-C 3.58Å; L885-M888 PolarHBondContact O-N 3.48Å; L885-M888 VanDerWaalsContact O-N 3.15Å; L885-G889 PolarHBondContact O-N 2.84Å; L885-C890 CarbonylContact C-O 3.28Å; L885-C890 HydrophobicContact CB-CB 4.02Å; L885-C890 HydrophobicContact CD2-CB 3.89Å; L885-C890 WeakPolarHBondContact O-CA 3.45Å; L885-C890 VanDerWaalsContact O-CB 3.31Å; L885-C890 WeakPolarHBondContact O-CB 3.36Å; L885-C890 PolarHBondContact O-N 3.44Å; L885-L994 HydrophobicContact CG-CD2 4.43Å; L885-Q1036 HydrophobicContact CD1-CG 4.31Å; L885-Q1039 HydrophobicContact CD2-CB 4.15Å |
| 886 | F | 77 | Confident | 77.6 | Confident | 76 Ų | 76 | 25.7 Ų | 25.7 | 33% | 0.333 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.8 | 179.4 | -99.9 | 0 | 0 | 0 | 112.2 | T804 F816 N882 L883 M888 G889 I892 | T804-F886 HydrophobicContact CG2-CD1 3.73Å; T804-F886 HydrophobicContact CG2-CE1 3.71Å; T804-F886 HydrophobicContact CG2-CG 4.36Å; T804-F886 HydrophobicContact CG2-CZ 4.33Å; F816-F886 HydrophobicContact CE1-CD1 4.26Å; F816-F886 AromaticContact CE1-CE1 3.79Å; F816-F886 HydrophobicContact CE1-CE1 3.79Å; F816-F886 HydrophobicContact CZ-CD1 4.11Å; F816-F886 HydrophobicContact CZ-CE1 4Å; N882-F886 WeakPolarHBondContact O-CB 3.34Å; N882-F886 PolarHBondContact O-N 2.86Å; L883-F886 WeakPolarHBondContact O-CB 3.28Å; L883-F886 PolarHBondContact O-N 3.03Å; F886-M888 PolarHBondContact O-N 2.89Å; F886-G889 PolarHBondContact O-N 3.23Å; F886-I892 HydrophobicContact CB-CG2 3.81Å |
| 887 | T | 74.5 | Confident | 76.2 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -28.6 | 178.6 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | L820 L883 C884 L885 G889 S990 | L820-T887 HydrophobicContact CD1-CG2 4.09Å; L820-T887 HydrophobicContact CD2-CG2 3.53Å; L820-T887 HydrophobicContact CG-CG2 4.47Å; L883-T887 HydrophobicContact CD1-CG2 4.47Å; L883-T887 WeakPolarHBondContact O-CG2 3.41Å; L883-T887 PolarHBondContact O-N 3.39Å; L883-T887 PolarHBondContact O-OG1 3.24Å; C884-T887 WeakPolarHBondContact CA-OG1 3.11Å; C884-T887 PolarHBondContact O-N 2.81Å; C884-T887 PolarHBondContact O-OG1 2.75Å; L885-T887 PolarHBondContact O-N 3.29Å; T887-G889 PolarHBondContact O-N 2.94Å; T887-S990 PolarHBondContact OG1-OG 3.32Å |
| 888 | M | 73.8 | Confident | 74.4 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.044 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5.9 | 174.3 | -64.2 | -175.4 | -54.4 | 0 | 0 | 112.6 | C884 L885 F886 C890 L916 L987 W991 L994 | C884-M888 WeakPolarHBondContact O-CG 3.33Å; C884-M888 PolarHBondContact O-N 3.46Å; C884-M888 VanDerWaalsContact O-N 3.15Å; L885-M888 HydrophobicContact CD2-CE 3.98Å; L885-M888 CarbonylContact O-C 3.58Å; L885-M888 PolarHBondContact O-N 3.48Å; L885-M888 VanDerWaalsContact O-N 3.15Å; F886-M888 PolarHBondContact O-N 2.89Å; M888-C890 PolarHBondContact O-N 3.4Å; M888-L916 HydrophobicContact CB-CD1 3.97Å; M888-L916 WeakPolarHBondContact O-CD1 3.49Å; M888-L987 HydrophobicContact CG-CD2 4.24Å; M888-W991 VanDerWaalsContact SD-CD1 3.59Å; M888-W991 PolarHBondContact SD-NE1 3.48Å; M888-L994 HydrophobicContact CE-CD1 3.24Å; M888-L994 HydrophobicContact SD-CD1 4.14Å |
| 889 | G | 67.2 | Low | 72.6 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 17.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L885 F886 T887 A919 | L885-G889 PolarHBondContact O-N 2.84Å; F886-G889 PolarHBondContact O-N 3.23Å; T887-G889 PolarHBondContact O-N 2.94Å; G889-A919 VanDerWaalsContact CA-CB 3.44Å |
| 890 | C | 73.3 | Confident | 70.8 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 152.2 | 171.6 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | L885 M888 Q1039 | L885-C890 CarbonylContact C-O 3.28Å; L885-C890 HydrophobicContact CB-CB 4.02Å; L885-C890 HydrophobicContact CD2-CB 3.89Å; L885-C890 WeakPolarHBondContact O-CA 3.45Å; L885-C890 VanDerWaalsContact O-CB 3.31Å; L885-C890 WeakPolarHBondContact O-CB 3.36Å; L885-C890 PolarHBondContact O-N 3.44Å; M888-C890 PolarHBondContact O-N 3.4Å; C890-Q1039 HydrophobicContact CB-CB 4.32Å |
| 891 | Q | 71.3 | Confident | 69 | Low | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 139.2 | 172.5 | -172.3 | 172.2 | -0.7 | 0 | 0 | 110.3 | D905 H1035 | Q891-D905 PolarHBondContact OE1-O 3.41Å; Q891-H1035 PolarHBondContact O-NE2 2.77Å |
| 892 | I | 74.8 | Confident | 67.5 | Low | 24 Ų | 24 | 46.9 Ų | 46.9 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -74.9 | 150.3 | 174.3 | 56.3 | 169.3 | 0 | 0 | 0 | 110.9 | N882 F886 Q894 | N882-I892 HydrophobicContact CB-CB 4.2Å; N882-I892 HydrophobicContact CB-CG2 4.11Å; N882-I892 WeakPolarHBondContact O-CG2 3.36Å; F886-I892 HydrophobicContact CB-CG2 3.81Å; I892-Q894 HydrophobicContact CD1-CG 3.95Å; I892-Q894 HydrophobicContact CG1-CG 3.97Å; I892-Q894 PolarHBondContact O-N 2.93Å |
| 893 | C | 72.6 | Confident | 66.1 | Low | 7 Ų | 7 | 49 Ų | 49 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | trans | -80.9 | 106.2 | 173.6 | -163.6 | 0 | 0 | 0 | 0 | 108.6 | N882 F902 Q1032 | N882-C893 PolarHBondContact ND2-O 3.46Å; N882-C893 WeakPolarHBondContact OD1-CB 3.13Å; N882-C893 PolarHBondContact OD1-N 3.01Å; C893-F902 VanDerWaalsContact SG-CE1 3.5Å; C893-Q1032 VanDerWaalsContact CB-OE1 3.28Å | ||
| 894 | Q | 68 | Low | 64.7 | Low | 85 Ų | 85 | 50.1 Ų | 50.1 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.8 | 178.6 | -69.4 | -176.7 | -19.9 | 0 | 0 | 111 | I892 F902 V903 | I892-Q894 HydrophobicContact CD1-CG 3.95Å; I892-Q894 HydrophobicContact CG1-CG 3.97Å; I892-Q894 PolarHBondContact O-N 2.93Å; Q894-F902 WeakPolarHBondContact O-CD1 3.26Å; Q894-V903 PolarHBondContact O-N 3.31Å; Q894-V903 VanDerWaalsContact O-N 3.13Å |
| 895 | F | 61.9 | Low | 63.3 | Low | 48 Ų | 48 | 53.4 Ų | 53.4 | 21% | 0.211 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 119.3 | 171.8 | -173 | -101.8 | 0 | 0 | 0 | 108.6 | E897 D900 F902 K1028 | F895-E897 HydrophobicContact CD1-CG 3.92Å; F895-E897 HydrophobicContact CE1-CG 4.13Å; F895-D900 WeakPolarHBondContact CZ-OD1 3.45Å; F895-F902 HydrophobicContact CB-CE1 4.14Å; F895-F902 HydrophobicContact CB-CZ 4.3Å; F895-F902 HydrophobicContact CD2-CD1 4.3Å; F895-F902 AromaticContact CD2-CD2 3.79Å; F895-F902 HydrophobicContact CD2-CD2 3.79Å; F895-F902 AromaticContact CD2-CE1 3.9Å; F895-F902 HydrophobicContact CD2-CE1 3.9Å; F895-F902 AromaticContact CD2-CE2 3.33Å; F895-F902 HydrophobicContact CD2-CE2 3.33Å; F895-F902 HydrophobicContact CD2-CG 4.24Å; F895-F902 AromaticContact CD2-CZ 3.36Å; F895-F902 HydrophobicContact CD2-CZ 3.36Å; F895-F902 HydrophobicContact CE2-CD2 4.09Å; F895-F902 AromaticContact CE2-CE2 3.61Å; F895-F902 HydrophobicContact CE2-CE2 3.61Å; F895-F902 HydrophobicContact CE2-CZ 4.07Å; F895-F902 HydrophobicContact CG-CZ 4.24Å; F895-K1028 HydrophobicContact CD2-CG 4.32Å; F895-K1028 HydrophobicContact CG-CG 4.49Å |
| 896 | N | 58.9 | Low | 62 | Low | 59 Ų | 59 | 55.1 Ų | 55.1 | 32% | 0.316 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 109.5 | 174.4 | -154.1 | 17.2 | 0 | 0 | 0 | 108.3 | E898 D899 D900 C901 V903 | N896-E898 VanDerWaalsContact C-N 3.31Å; N896-E898 PolarHBondContact O-N 3.29Å; N896-D899 HydrophobicContact CB-CB 4.48Å; N896-D899 PolarHBondContact ND2-OD2 3.46Å; N896-D900 PolarHBondContact O-N 3.46Å; N896-D900 VanDerWaalsContact O-N 3.13Å; N896-C901 WeakPolarHBondContact CB-O 3.5Å; N896-C901 PolarHBondContact N-O 3.15Å; N896-C901 PolarHBondContact O-N 2.78Å; N896-V903 HydrophobicContact CB-CG2 4.16Å |
| 897 | E | 56.3 | Low | 60.7 | Low | 150 Ų | 150 | 54.2 Ų | 54.2 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -31.6 | -177.9 | -69.2 | -169.9 | 160.6 | 0 | 0 | 112.5 | F895 | F895-E897 HydrophobicContact CD1-CG 3.92Å; F895-E897 HydrophobicContact CE1-CG 4.13Å |
| 898 | E | 52.2 | Low | 59.7 | Low | 182 Ų | 182 | 60.5 Ų | 60.5 | 85% | 0.85 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -39.8 | -179.4 | -68.5 | -172 | 164.1 | 0 | 0 | 113 | N896 | N896-E898 VanDerWaalsContact C-N 3.31Å; N896-E898 PolarHBondContact O-N 3.29Å |
| 899 | D | 49 | Very low | 58.7 | Low | 104 Ų | 104 | 60.9 Ų | 60.9 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.7 | -178.1 | -68.8 | -42.7 | 0 | 0 | 0 | 113 | N896 C901 | N896-D899 HydrophobicContact CB-CB 4.48Å; N896-D899 PolarHBondContact ND2-OD2 3.46Å; D899-C901 HydrophobicContact CB-CB 3.88Å; D899-C901 PolarHBondContact O-N 2.99Å; D899-C901 VanDerWaalsContact O-N 3.08Å; D899-C901 PolarHBondContact O-SG 2.83Å |
| 900 | D | 48 | Very low | 58.4 | Low | 68 Ų | 68 | 59.8 Ų | 59.8 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 32.4 | -169.8 | -123.9 | -2.4 | 0 | 0 | 0 | 111.9 | F895 N896 N1102 | F895-D900 WeakPolarHBondContact CZ-OD1 3.45Å; N896-D900 PolarHBondContact O-N 3.46Å; N896-D900 VanDerWaalsContact O-N 3.13Å; D900-N1102 PolarHBondContact OD2-ND2 3.45Å |
| 901 | C | 50.6 | Low | 57.7 | Low | 15 Ų | 15 | 59.8 Ų | 59.8 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.2 | -169.9 | -79 | 0 | 0 | 0 | 0 | 112.3 | N896 D899 S1099 T1100 | N896-C901 WeakPolarHBondContact CB-O 3.5Å; N896-C901 PolarHBondContact N-O 3.15Å; N896-C901 PolarHBondContact O-N 2.78Å; D899-C901 HydrophobicContact CB-CB 3.88Å; D899-C901 PolarHBondContact O-N 2.99Å; D899-C901 VanDerWaalsContact O-N 3.08Å; D899-C901 PolarHBondContact O-SG 2.83Å; C901-S1099 PolarHBondContact SG-OG 3.31Å; C901-T1100 WeakPolarHBondContact SG-CG2 3.39Å |
| 902 | F | 55.6 | Low | 57 | Low | 20 Ų | 20 | 58.5 Ų | 58.5 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.2 | 167.9 | -84.2 | -85.6 | 0 | 0 | 0 | 111.2 | C893 Q894 F895 M904 K1028 Y1031 | C893-F902 VanDerWaalsContact SG-CE1 3.5Å; Q894-F902 WeakPolarHBondContact O-CD1 3.26Å; F895-F902 HydrophobicContact CB-CE1 4.14Å; F895-F902 HydrophobicContact CB-CZ 4.3Å; F895-F902 HydrophobicContact CD2-CD1 4.3Å; F895-F902 AromaticContact CD2-CD2 3.79Å; F895-F902 HydrophobicContact CD2-CD2 3.79Å; F895-F902 AromaticContact CD2-CE1 3.9Å; F895-F902 HydrophobicContact CD2-CE1 3.9Å; F895-F902 AromaticContact CD2-CE2 3.33Å; F895-F902 HydrophobicContact CD2-CE2 3.33Å; F895-F902 HydrophobicContact CD2-CG 4.24Å; F895-F902 AromaticContact CD2-CZ 3.36Å; F895-F902 HydrophobicContact CD2-CZ 3.36Å; F895-F902 HydrophobicContact CE2-CD2 4.09Å; F895-F902 AromaticContact CE2-CE2 3.61Å; F895-F902 HydrophobicContact CE2-CE2 3.61Å; F895-F902 HydrophobicContact CE2-CZ 4.07Å; F895-F902 HydrophobicContact CG-CZ 4.24Å; F902-M904 HydrophobicContact CB-CE 4.01Å; F902-M904 HydrophobicContact CB-CG 4.42Å; F902-M904 HydrophobicContact CG-CE 4.39Å; F902-M904 PolarHBondContact O-N 2.62Å; F902-K1028 HydrophobicContact CZ-CB 4.32Å; F902-K1028 HydrophobicContact CZ-CG 3.98Å; F902-Y1031 HydrophobicContact CD1-CG 4.28Å; F902-Y1031 HydrophobicContact CD2-CD1 4.22Å; F902-Y1031 AromaticContact CD2-CD2 3.21Å; F902-Y1031 HydrophobicContact CD2-CD2 3.21Å; F902-Y1031 HydrophobicContact CD2-CE1 4.48Å; F902-Y1031 AromaticContact CD2-CE2 3.57Å; F902-Y1031 HydrophobicContact CD2-CE2 3.57Å; F902-Y1031 AromaticContact CD2-CG 3.57Å; F902-Y1031 HydrophobicContact CD2-CG 3.57Å; F902-Y1031 HydrophobicContact CE1-CG 4.31Å; F902-Y1031 AromaticContact CE2-CD2 3.09Å; F902-Y1031 HydrophobicContact CE2-CD2 3.09Å; F902-Y1031 AromaticContact CE2-CE2 3.81Å; F902-Y1031 HydrophobicContact CE2-CE2 3.81Å; F902-Y1031 AromaticContact CE2-CG 3.61Å; F902-Y1031 HydrophobicContact CE2-CG 3.61Å; F902-Y1031 HydrophobicContact CG-CD1 4.31Å; F902-Y1031 HydrophobicContact CG-CD2 4.05Å; F902-Y1031 AromaticContact CG-CG 3.93Å; F902-Y1031 HydrophobicContact CG-CG 3.93Å; F902-Y1031 AromaticContact CZ-CD2 3.87Å; F902-Y1031 HydrophobicContact CZ-CD2 3.87Å; F902-Y1031 HydrophobicContact CZ-CG 4.01Å |
| 903 | V | 54.5 | Low | 56.2 | Low | 74 Ų | 74 | 64.5 Ų | 64.5 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 86.9 | 168.1 | -175.2 | 0 | 0 | 0 | 0 | 107.1 | Q894 N896 | Q894-V903 PolarHBondContact O-N 3.31Å; Q894-V903 VanDerWaalsContact O-N 3.13Å; N896-V903 HydrophobicContact CB-CG2 4.16Å |
| 904 | M | 54.6 | Low | 55.5 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | trans | -108.1 | 118.1 | 171.2 | -73.1 | -170.3 | -76.6 | 0 | 0 | 109.2 | F902 F906 Y1031 H1035 | F902-M904 HydrophobicContact CB-CE 4.01Å; F902-M904 HydrophobicContact CB-CG 4.42Å; F902-M904 HydrophobicContact CG-CE 4.39Å; F902-M904 PolarHBondContact O-N 2.62Å; M904-F906 VanDerWaalsContact C-N 3.31Å; M904-F906 HydrophobicContact CB-CD1 3.98Å; M904-F906 HydrophobicContact CB-CD2 4.22Å; M904-F906 HydrophobicContact CB-CE1 3.68Å; M904-F906 HydrophobicContact CB-CE2 3.9Å; M904-F906 HydrophobicContact CB-CG 4.31Å; M904-F906 HydrophobicContact CB-CZ 3.67Å; M904-F906 HydrophobicContact CE-CE1 3.6Å; M904-F906 HydrophobicContact CE-CE2 4.2Å; M904-F906 HydrophobicContact CE-CZ 3.2Å; M904-F906 HydrophobicContact CG-CE1 4.26Å; M904-F906 HydrophobicContact CG-CZ 4.33Å; M904-F906 PolarHBondContact O-N 2.82Å; M904-F906 VanDerWaalsContact O-N 3.08Å; M904-F906 HydrophobicContact SD-CE1 3.58Å; M904-F906 VanDerWaalsContact SD-CE1 3.58Å; M904-F906 HydrophobicContact SD-CZ 3.84Å; M904-Y1031 HydrophobicContact CE-CD1 3.33Å; M904-Y1031 HydrophobicContact CE-CE1 3.76Å; M904-Y1031 HydrophobicContact CE-CG 4.27Å; M904-H1035 HydrophobicContact SD-CB 4.23Å | ||
| 905 | D | 55.2 | Low | 55.3 | Low | 69 Ų | 69 | 70.8 Ų | 70.8 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | trans | -82.2 | 83.3 | 169.5 | -174.7 | 9.4 | 0 | 0 | 0 | 109 | Q891 S907 K908 | Q891-D905 PolarHBondContact OE1-O 3.41Å; D905-S907 PolarHBondContact O-N 2.85Å; D905-S907 VanDerWaalsContact O-N 3.09Å; D905-S907 WeakPolarHBondContact OD1-CB 3.25Å; D905-S907 PolarHBondContact OD1-N 2.69Å; D905-S907 PolarHBondContact OD1-OG 2.85Å; D905-S907 PolarHBondContact OD2-OG 3.19Å; D905-K908 PolarHBondContact O-N 3.06Å | ||
| 906 | F | 52.2 | Low | 55.3 | Low | 36 Ų | 36 | 69.9 Ų | 69.9 | 16% | 0.158 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -6.1 | 179 | -60 | -64.3 | 0 | 0 | 0 | 113.9 | M904 K908 I1113 V1117 | M904-F906 VanDerWaalsContact C-N 3.31Å; M904-F906 HydrophobicContact CB-CD1 3.98Å; M904-F906 HydrophobicContact CB-CD2 4.22Å; M904-F906 HydrophobicContact CB-CE1 3.68Å; M904-F906 HydrophobicContact CB-CE2 3.9Å; M904-F906 HydrophobicContact CB-CG 4.31Å; M904-F906 HydrophobicContact CB-CZ 3.67Å; M904-F906 HydrophobicContact CE-CE1 3.6Å; M904-F906 HydrophobicContact CE-CE2 4.2Å; M904-F906 HydrophobicContact CE-CZ 3.2Å; M904-F906 HydrophobicContact CG-CE1 4.26Å; M904-F906 HydrophobicContact CG-CZ 4.33Å; M904-F906 PolarHBondContact O-N 2.82Å; M904-F906 VanDerWaalsContact O-N 3.08Å; M904-F906 HydrophobicContact SD-CE1 3.58Å; M904-F906 VanDerWaalsContact SD-CE1 3.58Å; M904-F906 HydrophobicContact SD-CZ 3.84Å; F906-K908 PolarHBondContact O-N 3.19Å; F906-I1113 HydrophobicContact CE1-CG2 3.91Å; F906-I1113 HydrophobicContact CZ-CG2 3.73Å; F906-V1117 HydrophobicContact CB-CB 4.38Å; F906-V1117 HydrophobicContact CB-CG1 4.42Å; F906-V1117 HydrophobicContact CB-CG2 3.91Å; F906-V1117 HydrophobicContact CD1-CB 4.38Å; F906-V1117 HydrophobicContact CD1-CG2 3.19Å; F906-V1117 HydrophobicContact CE1-CG2 3.63Å; F906-V1117 HydrophobicContact CG-CG2 3.67Å; F906-V1117 HydrophobicContact CZ-CG2 4.45Å |
| 907 | S | 51.4 | Low | 55.5 | Low | 57 Ų | 57 | 68 Ų | 68 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -30 | 178.6 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | D905 | D905-S907 PolarHBondContact O-N 2.85Å; D905-S907 VanDerWaalsContact O-N 3.09Å; D905-S907 WeakPolarHBondContact OD1-CB 3.25Å; D905-S907 PolarHBondContact OD1-N 2.69Å; D905-S907 PolarHBondContact OD1-OG 2.85Å; D905-S907 PolarHBondContact OD2-OG 3.19Å |
| 908 | K | 52.6 | Low | 56 | Low | 137 Ų | 137 | 65.1 Ų | 65.1 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -98.5 | 90.7 | 176.3 | -63.4 | -178 | -174.2 | 175.5 | 0 | 109.6 | D905 F906 Q1039 | D905-K908 PolarHBondContact O-N 3.06Å; F906-K908 PolarHBondContact O-N 3.19Å; K908-Q1039 PolarHBondContact O-NE2 3.38Å |
| 909 | G | 52.7 | Low | 56.6 | Low | 16 Ų | 16 | 57.5 Ų | 57.5 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | trans | -57.6 | -173.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C911 | G909-C911 PolarHBondContact O-N 3.17Š| ||
| 910 | A | 60 | Low | 57.2 | Low | 10 Ų | 10 | 53.2 Ų | 53.2 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -47.2 | 129.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1041 | A910-R1041 HydrophobicContact CB-CG 4.4Å; A910-R1041 PolarHBondContact O-NH2 2.79Å |
| 911 | C | 59.1 | Low | 57.9 | Low | 11 Ų | 11 | 51.8 Ų | 51.8 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 145.9 | -179.6 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | G909 E915 R1041 | G909-C911 PolarHBondContact O-N 3.17Å; C911-E915 WeakPolarHBondContact CA-OE2 3.41Å; C911-E915 HydrophobicContact CB-CB 3.99Å; C911-R1041 VanDerWaalsContact O-CZ 3.28Å; C911-R1041 PolarHBondContact O-NE 3.04Å; C911-R1041 VanDerWaalsContact O-NE 3.1Å; C911-R1041 PolarHBondContact O-NH2 3.46Å |
| 912 | S | 56.5 | Low | 58.5 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -67 | 156.8 | 173.5 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | R914 E915 L916 | S912-R914 PolarHBondContact O-N 3.28Å; S912-R914 VanDerWaalsContact O-N 3.13Å; S912-E915 PolarHBondContact N-OE2 3.04Å; S912-E915 PolarHBondContact O-N 3.37Å; S912-E915 WeakPolarHBondContact OG-CB 3.33Å; S912-E915 WeakPolarHBondContact OG-CG 3.43Å; S912-E915 PolarHBondContact OG-N 3.33Å; S912-E915 PolarHBondContact OG-OE2 3.03Å; S912-L916 PolarHBondContact O-N 2.83Å |
| 913 | F | 59 | Low | 58.7 | Low | 150 Ų | 150 | 57.9 Ų | 57.9 | 66% | 0.658 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -54.9 | -32 | 171.7 | -78.1 | -70.2 | 0 | 0 | 0 | 111.9 | G917 | F913-G917 PolarHBondContact O-N 2.99Å |
| 914 | R | 58.3 | Low | 58.8 | Low | 136 Ų | 136 | 54.9 Ų | 54.9 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 173.9 | -171.1 | 179.5 | -174.7 | -165.4 | 1 | 112.2 | S912 K918 L974 | S912-R914 PolarHBondContact O-N 3.28Å; S912-R914 VanDerWaalsContact O-N 3.13Å; R914-K918 HydrophobicContact CG-CD 4.47Å; R914-K918 VanDerWaalsContact O-CB 3.3Å; R914-K918 WeakPolarHBondContact O-CB 3.39Å; R914-K918 VanDerWaalsContact O-CG 3.25Å; R914-K918 WeakPolarHBondContact O-CG 3.32Å; R914-K918 PolarHBondContact O-N 2.99Å; R914-L974 HydrophobicContact CG-CD2 4.22Å |
| 915 | E | 62.2 | Low | 59.1 | Low | 88 Ų | 88 | 57.1 Ų | 57.1 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 176.5 | -76.7 | 168.5 | 145.6 | 0 | 0 | 112.2 | C911 S912 G917 K918 A919 R1127 | C911-E915 WeakPolarHBondContact CA-OE2 3.41Å; C911-E915 HydrophobicContact CB-CB 3.99Å; S912-E915 PolarHBondContact N-OE2 3.04Å; S912-E915 PolarHBondContact O-N 3.37Å; S912-E915 WeakPolarHBondContact OG-CB 3.33Å; S912-E915 WeakPolarHBondContact OG-CG 3.43Å; S912-E915 PolarHBondContact OG-N 3.33Å; S912-E915 PolarHBondContact OG-OE2 3.03Å; E915-G917 VanDerWaalsContact C-N 3.33Å; E915-G917 PolarHBondContact O-N 3.17Å; E915-K918 PolarHBondContact O-N 3.24Å; E915-A919 WeakPolarHBondContact O-CB 3.21Å; E915-A919 PolarHBondContact O-N 3.08Å; E915-R1127 IonicContact OE2-NH2 3Å |
| 916 | L | 62.9 | Low | 59 | Low | 29 Ų | 29 | 55.4 Ų | 55.4 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.3 | -50 | 172.4 | 178.5 | 65.2 | 0 | 0 | 0 | 110.1 | M888 S912 A919 I920 L987 | M888-L916 HydrophobicContact CB-CD1 3.97Å; M888-L916 WeakPolarHBondContact O-CD1 3.49Å; S912-L916 PolarHBondContact O-N 2.83Å; L916-A919 PolarHBondContact O-N 3.07Å; L916-I920 HydrophobicContact CD1-CD1 3.91Å; L916-I920 HydrophobicContact CG-CD1 3.94Å; L916-I920 WeakPolarHBondContact O-CB 3.45Å; L916-I920 WeakPolarHBondContact O-CD1 3.37Å; L916-I920 WeakPolarHBondContact O-CG1 3.28Å; L916-I920 PolarHBondContact O-N 3.35Å; L916-I920 VanDerWaalsContact O-N 3.08Å; L916-L987 HydrophobicContact CD1-CD2 4.26Å |
| 917 | G | 63.6 | Low | 59 | Low | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.2 | -51.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F913 E915 A919 I920 L921 | F913-G917 PolarHBondContact O-N 2.99Å; E915-G917 VanDerWaalsContact C-N 3.33Å; E915-G917 PolarHBondContact O-N 3.17Å; G917-A919 PolarHBondContact O-N 3.42Å; G917-I920 PolarHBondContact O-N 3.47Å; G917-L921 VanDerWaalsContact O-CB 3.3Å; G917-L921 WeakPolarHBondContact O-CB 3.42Å; G917-L921 PolarHBondContact O-N 2.98Å |
| 918 | K | 65.5 | Low | 59 | Low | 90 Ų | 90 | 57.4 Ų | 57.4 | 39% | 0.391 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.2 | -79.7 | -177.4 | 175 | -163 | 0 | 113 | R914 E915 L921 K922 | R914-K918 HydrophobicContact CG-CD 4.47Å; R914-K918 VanDerWaalsContact O-CB 3.3Å; R914-K918 WeakPolarHBondContact O-CB 3.39Å; R914-K918 VanDerWaalsContact O-CG 3.25Å; R914-K918 WeakPolarHBondContact O-CG 3.32Å; R914-K918 PolarHBondContact O-N 2.99Å; E915-K918 PolarHBondContact O-N 3.24Å; K918-L921 PolarHBondContact O-N 3.28Å; K918-K922 VanDerWaalsContact O-CB 3.22Å; K918-K922 WeakPolarHBondContact O-CB 3.43Å; K918-K922 PolarHBondContact O-N 3.29Å |
| 919 | A | 64.8 | Low | 58.9 | Low | 23 Ų | 23 | 59.3 Ų | 59.3 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G889 E915 L916 G917 T923 | G889-A919 VanDerWaalsContact CA-CB 3.44Å; E915-A919 WeakPolarHBondContact O-CB 3.21Å; E915-A919 PolarHBondContact O-N 3.08Å; L916-A919 PolarHBondContact O-N 3.07Å; G917-A919 PolarHBondContact O-N 3.42Å; A919-T923 PolarHBondContact O-N 3.18Å; A919-T923 VanDerWaalsContact O-N 3.1Å; A919-T923 PolarHBondContact O-OG1 3.36Å |
| 920 | I | 62.9 | Low | 58.4 | Low | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 175.5 | -67.3 | 168.1 | 0 | 0 | 0 | 110.4 | L916 G917 K922 T923 V924 Y983 L987 | L916-I920 HydrophobicContact CD1-CD1 3.91Å; L916-I920 HydrophobicContact CG-CD1 3.94Å; L916-I920 WeakPolarHBondContact O-CB 3.45Å; L916-I920 WeakPolarHBondContact O-CD1 3.37Å; L916-I920 WeakPolarHBondContact O-CG1 3.28Å; L916-I920 PolarHBondContact O-N 3.35Å; L916-I920 VanDerWaalsContact O-N 3.08Å; G917-I920 PolarHBondContact O-N 3.47Å; I920-K922 PolarHBondContact O-N 2.86Å; I920-T923 PolarHBondContact O-N 2.82Å; I920-V924 PolarHBondContact O-N 3.49Å; I920-Y983 HydrophobicContact CG2-CD1 3.08Å; I920-Y983 HydrophobicContact CG2-CE1 3.48Å; I920-Y983 VanDerWaalsContact CG2-CE1 3.48Å; I920-Y983 HydrophobicContact CG2-CG 3.89Å; I920-L987 HydrophobicContact CD1-CD1 3.92Å; I920-L987 HydrophobicContact CD1-CD2 3.87Å; I920-L987 HydrophobicContact CD1-CG 3.94Å |
| 921 | L | 61.8 | Low | 57.5 | Low | 38 Ų | 38 | 67.7 Ų | 67.7 | 20% | 0.199 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | -178.2 | -139.9 | 128.8 | 0 | 0 | 0 | 111.6 | G917 K918 T923 V924 T925 L973 | G917-L921 VanDerWaalsContact O-CB 3.3Å; G917-L921 WeakPolarHBondContact O-CB 3.42Å; G917-L921 PolarHBondContact O-N 2.98Å; K918-L921 PolarHBondContact O-N 3.28Å; L921-T923 PolarHBondContact O-N 3.43Å; L921-V924 PolarHBondContact O-N 3.41Å; L921-T925 HydrophobicContact CD2-CG2 3.92Å; L921-T925 WeakPolarHBondContact O-CB 3.35Å; L921-T925 WeakPolarHBondContact O-CG2 3.27Å; L921-T925 PolarHBondContact O-N 3.34Å; L921-T925 PolarHBondContact O-OG1 3.21Å; L921-L973 HydrophobicContact CD2-CD2 4.26Å |
| 922 | K | 63.3 | Low | 56.8 | Low | 133 Ų | 133 | 71.3 Ų | 71.3 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 175.4 | -170.5 | 172.6 | -176.7 | -178.1 | 0 | 110.9 | K918 I920 V924 T925 L926 | K918-K922 VanDerWaalsContact O-CB 3.22Å; K918-K922 WeakPolarHBondContact O-CB 3.43Å; K918-K922 PolarHBondContact O-N 3.29Å; I920-K922 PolarHBondContact O-N 2.86Å; K922-V924 PolarHBondContact O-N 3.18Å; K922-T925 WeakPolarHBondContact CA-OG1 3.43Å; K922-T925 PolarHBondContact O-OG1 2.8Å; K922-L926 HydrophobicContact CG-CD1 3.99Å; K922-L926 WeakPolarHBondContact O-CB 3.42Å; K922-L926 WeakPolarHBondContact O-CD1 3.33Å; K922-L926 WeakPolarHBondContact O-CG 3.46Å; K922-L926 PolarHBondContact O-N 3.41Å |
| 923 | T | 58.6 | Low | 55.9 | Low | 30 Ų | 30 | 76.6 Ų | 76.6 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.5 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | S817 L820 A919 I920 L921 A927 | S817-T923 WeakPolarHBondContact CB-O 3.28Å; S817-T923 PolarHBondContact OG-O 3.11Å; L820-T923 HydrophobicContact CD2-CG2 4.02Å; A919-T923 PolarHBondContact O-N 3.18Å; A919-T923 VanDerWaalsContact O-N 3.1Å; A919-T923 PolarHBondContact O-OG1 3.36Å; I920-T923 PolarHBondContact O-N 2.82Å; L921-T923 PolarHBondContact O-N 3.43Å; T923-A927 PolarHBondContact O-N 3.43Å |
| 924 | V | 58 | Low | 54.5 | Low | 11 Ų | 11 | 73.9 Ų | 73.9 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -79.4 | -39.4 | -176.5 | 172.6 | 0 | 0 | 0 | 0 | 114 | L821 I920 L921 K922 L926 A927 R928 Y983 | L821-V924 HydrophobicContact CD1-CG2 4.32Å; I920-V924 PolarHBondContact O-N 3.49Å; L921-V924 PolarHBondContact O-N 3.41Å; K922-V924 PolarHBondContact O-N 3.18Å; V924-L926 PolarHBondContact O-N 3.49Å; V924-A927 WeakPolarHBondContact O-CB 3.43Å; V924-A927 PolarHBondContact O-N 3.11Å; V924-A927 VanDerWaalsContact O-N 3.09Å; V924-R928 PolarHBondContact O-N 3.25Å; V924-Y983 HydrophobicContact CB-CE1 3.7Å; V924-Y983 HydrophobicContact CG1-CE1 3.95Å; V924-Y983 HydrophobicContact CG2-CD1 3.91Å; V924-Y983 HydrophobicContact CG2-CE1 3.44Å; V924-Y983 VanDerWaalsContact CG2-CE1 3.44Å |
| 925 | T | 59.4 | Low | 53.3 | Low | 70 Ų | 70 | 73.4 Ų | 73.4 | 43% | 0.429 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 175.6 | 45 | 0 | 0 | 0 | 0 | 111.5 | L921 K922 R929 | L921-T925 HydrophobicContact CD2-CG2 3.92Å; L921-T925 WeakPolarHBondContact O-CB 3.35Å; L921-T925 WeakPolarHBondContact O-CG2 3.27Å; L921-T925 PolarHBondContact O-N 3.34Å; L921-T925 PolarHBondContact O-OG1 3.21Å; K922-T925 WeakPolarHBondContact CA-OG1 3.43Å; K922-T925 PolarHBondContact O-OG1 2.8Å; T925-R929 PolarHBondContact O-N 3.15Å |
| 926 | L | 53.4 | Low | 51.6 | Low | 33 Ų | 33 | 72.1 Ų | 72.1 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 172.1 | -80 | 156.5 | 0 | 0 | 0 | 112.7 | L813 T814 K922 V924 | L813-L926 HydrophobicContact CB-CD1 3.72Å; L813-L926 HydrophobicContact CB-CD2 4.26Å; L813-L926 HydrophobicContact CD1-CD1 4.32Å; L813-L926 HydrophobicContact CG-CD1 4.47Å; T814-L926 HydrophobicContact CG2-CB 4.48Å; T814-L926 HydrophobicContact CG2-CD2 3.67Å; K922-L926 HydrophobicContact CG-CD1 3.99Å; K922-L926 WeakPolarHBondContact O-CB 3.42Å; K922-L926 WeakPolarHBondContact O-CD1 3.33Å; K922-L926 WeakPolarHBondContact O-CG 3.46Å; K922-L926 PolarHBondContact O-N 3.41Å; V924-L926 PolarHBondContact O-N 3.49Å |
| 927 | A | 52.6 | Low | 50 | Low | 11 Ų | 11 | 78.7 Ų | 78.7 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S817 T923 V924 R929 N930 | S817-A927 WeakPolarHBondContact OG-CA 3.26Å; S817-A927 PolarHBondContact OG-N 3.48Å; S817-A927 VanDerWaalsContact OG-N 3.14Å; T923-A927 PolarHBondContact O-N 3.43Å; V924-A927 WeakPolarHBondContact O-CB 3.43Å; V924-A927 PolarHBondContact O-N 3.11Å; V924-A927 VanDerWaalsContact O-N 3.09Å; A927-R929 VanDerWaalsContact C-N 3.31Å; A927-R929 PolarHBondContact O-N 3.02Å; A927-N930 PolarHBondContact O-N 3.23Å |
| 928 | R | 52.7 | Low | 48.2 | Very low | 124 Ų | 124 | 86.3 Ų | 86.3 | 47% | 0.468 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -33.2 | -178.3 | -82.8 | -171.3 | 178.1 | 173 | 0.4 | 113.1 | V924 N930 Q931 S932 E982 | V924-R928 PolarHBondContact O-N 3.25Å; R928-N930 PolarHBondContact O-N 3.19Å; R928-Q931 PolarHBondContact O-N 2.71Å; R928-Q931 VanDerWaalsContact O-N 3.07Å; R928-S932 PolarHBondContact O-N 2.74Å; R928-S932 PolarHBondContact O-OG 3.03Å; R928-E982 IonicContact NH2-OE1 3.11Å |
| 929 | R | 48.9 | Very low | 46.4 | Very low | 178 Ų | 178 | 88 Ų | 88 | 67% | 0.672 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -56.9 | -31.2 | 178.1 | -106.4 | -179.2 | -179.7 | 152.7 | 1.5 | 113.2 | T925 A927 S932 | T925-R929 PolarHBondContact O-N 3.15Å; A927-R929 VanDerWaalsContact C-N 3.31Å; A927-R929 PolarHBondContact O-N 3.02Å; R929-S932 PolarHBondContact O-OG 3.38Å; R929-S932 VanDerWaalsContact O-OG 3.11Å |
| 930 | N | 42.2 | Very low | 44.5 | Very low | 72 Ų | 72 | 93.7 Ų | 93.7 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.4 | -35.4 | 175.7 | -85.7 | -15.4 | 0 | 0 | 0 | 113.2 | A927 R928 S932 L933 S934 | A927-N930 PolarHBondContact O-N 3.23Å; R928-N930 PolarHBondContact O-N 3.19Å; N930-S932 VanDerWaalsContact C-N 3.34Å; N930-S932 PolarHBondContact O-N 3.11Å; N930-L933 PolarHBondContact O-N 3.18Å; N930-S934 PolarHBondContact O-N 3.38Å |
| 931 | Q | 42.4 | Very low | 42.6 | Very low | 129 Ų | 129 | 95.9 Ų | 95.9 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 178.1 | -80.5 | -177.4 | -14.1 | 0 | 0 | 111.7 | R928 L933 S934 | R928-Q931 PolarHBondContact O-N 2.71Å; R928-Q931 VanDerWaalsContact O-N 3.07Å; Q931-L933 VanDerWaalsContact C-N 3.28Å; Q931-L933 PolarHBondContact O-N 3.5Å; Q931-S934 PolarHBondContact O-N 3.35Å; Q931-S934 PolarHBondContact O-OG 2.8Å |
| 932 | S | 43 | Very low | 40.9 | Very low | 87 Ų | 87 | 103.2 Ų | 103.2 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.4 | -19.4 | 176.8 | 52.3 | 0 | 0 | 0 | 0 | 114.8 | R928 R929 N930 | R928-S932 PolarHBondContact O-N 2.74Å; R928-S932 PolarHBondContact O-OG 3.03Å; R929-S932 PolarHBondContact O-OG 3.38Å; R929-S932 VanDerWaalsContact O-OG 3.11Å; N930-S932 VanDerWaalsContact C-N 3.34Å; N930-S932 PolarHBondContact O-N 3.11Å |
| 933 | L | 38.3 | Very low | 39 | Very low | 144 Ų | 144 | 101.9 Ų | 101.9 | 75% | 0.754 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -93.3 | -11.5 | 177.1 | -83.9 | 158 | 0 | 0 | 0 | 113.6 | N930 Q931 | N930-L933 PolarHBondContact O-N 3.18Å; Q931-L933 VanDerWaalsContact C-N 3.28Å; Q931-L933 PolarHBondContact O-N 3.5Å |
| 934 | S | 30.6 | Very low | 37.3 | Very low | 94 Ų | 94 | 106.1 Ų | 106.1 | 66% | 0.657 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -92.9 | -6.1 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 114.5 | N930 Q931 | N930-S934 PolarHBondContact O-N 3.38Å; Q931-S934 PolarHBondContact O-N 3.35Å; Q931-S934 PolarHBondContact O-OG 2.8Å |
| 935 | V | 31.1 | Very low | 35.7 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -114.4 | 77.5 | -179.1 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 936 | G | 27.1 | Very low | 33.8 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 62% | 0.619 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 150.3 | 111.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 937 | N | 29.2 | Very low | 32.4 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | trans | 84.3 | 86.8 | 157.5 | -57.9 | -8.1 | 0 | 0 | 0 | 117.3 | ||||
| 938 | E | 26.2 | Very low | 30.9 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -49 | 147.5 | 137.3 | -64.1 | 178.8 | 150.3 | 0 | 0 | 111.1 | ||||
| 939 | T | 27 | Very low | 29.5 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | 94.3 | 124.8 | 165 | 73.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 940 | V | 26.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 101.4 | 164.3 | -156.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 941 | G | 23.5 | Very low | 27.4 | Very low | 60 Ų | 60 | 132.4 Ų | 132.4 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | 85.7 | 99.6 | 65.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 942 | Q | 25.1 | Very low | 26.5 | Very low | 191 Ų | 191 | 130.8 Ų | 130.8 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | 59.4 | 110.6 | 158.9 | -59.4 | 176.2 | -10.1 | 0 | 0 | 117.9 | ||||
| 943 | S | 23.3 | Very low | 25.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | 151.5 | 139.1 | 112.6 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 944 | T | 23.8 | Very low | 24.9 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 70.1 | 105.4 | 147.6 | 51.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 945 | H | 22.7 | Very low | 24.6 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | 47.8 | 87.5 | 126.8 | -69.3 | -29.8 | 0 | 0 | 0 | 118.3 | |||||
| 946 | C | 21.1 | Very low | 24.3 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | -90.6 | 117.6 | 142.1 | -93 | 0 | 0 | 0 | 0 | 108.8 | L948 | C946-L948 PolarHBondContact O-N 3.21Š| ||
| 947 | H | 23.5 | Very low | 24.1 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -48.4 | 98.6 | 173.9 | -71.3 | -87.3 | 0 | 0 | 0 | 111.9 | I949 | H947-I949 PolarHBondContact O-N 2.64Å; H947-I949 VanDerWaalsContact O-N 3.15Å | ||
| 948 | L | 21.7 | Very low | 23.8 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | trans | -65.5 | 107.3 | 152.4 | -113.5 | 98 | 0 | 0 | 0 | 106 | C946 Q950 | C946-L948 PolarHBondContact O-N 3.21Å; L948-Q950 PolarHBondContact O-N 3.28Å | ||
| 949 | I | 23.2 | Very low | 23.7 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -65.4 | 92.3 | 164.1 | -65 | 174.2 | 0 | 0 | 0 | 105.9 | H947 T951 | H947-I949 PolarHBondContact O-N 2.64Å; H947-I949 VanDerWaalsContact O-N 3.15Å; I949-T951 VanDerWaalsContact C-N 3.3Å; I949-T951 HydrophobicContact CG2-CG2 4.13Å; I949-T951 PolarHBondContact O-N 3.01Å | ||
| 950 | Q | 22.7 | Very low | 23.6 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -62 | 91.9 | 163.2 | -77.5 | 177.5 | -33.6 | 0 | 0 | 107.7 | L948 | L948-Q950 PolarHBondContact O-N 3.28Š| ||
| 951 | T | 23.8 | Very low | 23.6 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 61% | 0.607 | 76% | 0.76 | S | S | * | * | trans | -94.8 | 83.1 | 155 | 36.3 | 0 | 0 | 0 | 0 | 107.2 | I949 H953 | I949-T951 VanDerWaalsContact C-N 3.3Å; I949-T951 HydrophobicContact CG2-CG2 4.13Å; I949-T951 PolarHBondContact O-N 3.01Å; T951-H953 VanDerWaalsContact C-N 3.28Å; T951-H953 PolarHBondContact O-N 3.02Å | ||
| 952 | S | 22.6 | Very low | 23.6 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | -58.4 | 92.7 | 158.9 | 51 | 0 | 0 | 0 | 0 | 108.4 | T954 | S952-T954 PolarHBondContact O-N 3.3Š| ||
| 953 | H | 24.5 | Very low | 23.7 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -78.2 | 80.1 | 163.3 | -79.2 | -59.5 | 0 | 0 | 0 | 108.4 | T951 | T951-H953 VanDerWaalsContact C-N 3.28Å; T951-H953 PolarHBondContact O-N 3.02Å | ||
| 954 | T | 24.5 | Very low | 23.8 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | -55.2 | 131.2 | 156.4 | 43.7 | 0 | 0 | 0 | 0 | 108.9 | S952 T956 | S952-T954 PolarHBondContact O-N 3.3Å; T954-T956 PolarHBondContact O-N 3.49Å | ||
| 955 | H | 22.9 | Very low | 24.1 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | trans | -48.6 | 97.2 | 170.7 | -70.5 | -87.6 | 0 | 0 | 0 | 111.6 | ||||
| 956 | T | 25.2 | Very low | 24.5 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -120.2 | 98 | 162.9 | 49 | 0 | 0 | 0 | 0 | 108.2 | T954 T958 | T954-T956 PolarHBondContact O-N 3.49Å; T956-T958 PolarHBondContact O-N 3.36Å; T956-T958 VanDerWaalsContact O-N 3.15Å | ||
| 957 | T | 23.3 | Very low | 25.2 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -40.8 | 110.5 | 153.1 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 958 | T | 24.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 169.5 | 130.9 | 143.2 | 31.8 | 0 | 0 | 0 | 0 | 111.2 | T956 | T956-T958 PolarHBondContact O-N 3.36Å; T956-T958 VanDerWaalsContact O-N 3.15Å | ||
| 959 | N | 23.8 | Very low | 26.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 72.8 | 110 | 157.9 | -61.3 | -12.6 | 0 | 0 | 0 | 119.2 | T961 | N959-T961 VanDerWaalsContact C-N 3.31Å; N959-T961 PolarHBondContact O-N 3.03Å | ||
| 960 | P | 24.7 | Very low | 27.4 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -81.2 | 77.2 | 173 | 35.4 | -30.8 | 0 | 0 | 0 | 109.2 | T962 | P960-T962 PolarHBondContact O-N 3.42Š| ||
| 961 | T | 26 | Very low | 28.2 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | trans | -87.8 | 92.5 | 166 | 45.4 | 0 | 0 | 0 | 0 | 108.7 | N959 V963 | N959-T961 VanDerWaalsContact C-N 3.31Å; N959-T961 PolarHBondContact O-N 3.03Å; T961-V963 PolarHBondContact O-N 2.97Å | ||
| 962 | T | 23.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 74% | 0.742 | 70% | 0.698 | S | S | * | * | trans | 18.5 | 76.7 | 146.4 | 52 | 0 | 0 | 0 | 0 | 115.7 | P960 N964 | P960-T962 PolarHBondContact O-N 3.42Å; T962-N964 VanDerWaalsContact C-N 3.34Å; T962-N964 PolarHBondContact O-N 3.25Å; T962-N964 VanDerWaalsContact O-N 3.15Å | ||
| 963 | V | 26.9 | Very low | 30 | Very low | 119 Ų | 119 | 122 Ų | 122 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | trans | -83.6 | 85.2 | 167.4 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | T961 N965 | T961-V963 PolarHBondContact O-N 2.97Å; V963-N965 PolarHBondContact O-N 3.49Å | ||
| 964 | N | 25.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 66% | 0.663 | S | S | * | * | trans | -79.4 | 20 | 173.6 | -90.8 | -9.9 | 0 | 0 | 0 | 113.6 | T962 | T962-N964 VanDerWaalsContact C-N 3.34Å; T962-N964 PolarHBondContact O-N 3.25Å; T962-N964 VanDerWaalsContact O-N 3.15Å | ||
| 965 | N | 29.9 | Very low | 31.6 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | trans | -111.7 | 52.3 | 177.8 | -78.5 | -0.3 | 0 | 0 | 0 | 111.3 | V963 D967 | V963-N965 PolarHBondContact O-N 3.49Å; N965-D967 PolarHBondContact O-N 3.01Å | ||
| 966 | V | 31.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 112 Ų | 112 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | trans | -77.6 | 106.1 | 161.3 | -179.3 | 0 | 0 | 0 | 0 | 106.3 | N968 | V966-N968 PolarHBondContact O-N 3.4Š| ||
| 967 | D | 34.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 110 Ų | 110 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | trans | -40.6 | 124.3 | -176 | -67.8 | -48 | 0 | 0 | 0 | 113.3 | N965 S969 D970 | N965-D967 PolarHBondContact O-N 3.01Å; D967-S969 PolarHBondContact O-N 3.35Å; D967-D970 PolarHBondContact O-N 3.21Å | ||
| 968 | N | 35.5 | Very low | 34 | Very low | 135 Ų | 135 | 111.5 Ų | 111.5 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -10 | 175.2 | -85.6 | -21.6 | 0 | 0 | 0 | 113.8 | V966 D970 V971 | V966-N968 PolarHBondContact O-N 3.4Å; N968-D970 VanDerWaalsContact C-N 3.28Å; N968-D970 PolarHBondContact O-N 3.47Å; N968-V971 PolarHBondContact O-N 2.96Å |
| 969 | S | 41.9 | Very low | 35.1 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -28.2 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | D967 V971 | D967-S969 PolarHBondContact O-N 3.35Å; S969-V971 VanDerWaalsContact C-N 3.32Å |
| 970 | D | 38.2 | Very low | 36.6 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 51% | 0.508 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75.6 | -21 | 176.8 | -93.6 | -1 | 0 | 0 | 0 | 112.9 | D967 N968 L974 | D967-D970 PolarHBondContact O-N 3.21Å; N968-D970 VanDerWaalsContact C-N 3.28Å; N968-D970 PolarHBondContact O-N 3.47Å; D970-L974 PolarHBondContact O-N 3.06Å |
| 971 | V | 38.2 | Very low | 38.2 | Very low | 66 Ų | 66 | 103.8 Ų | 103.8 | 40% | 0.4 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -78 | -38.8 | -179.9 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | N968 S969 L973 L974 N975 | N968-V971 PolarHBondContact O-N 2.96Å; S969-V971 VanDerWaalsContact C-N 3.32Å; V971-L973 VanDerWaalsContact C-N 3.35Å; V971-L973 PolarHBondContact O-N 3.42Å; V971-L974 PolarHBondContact O-N 3.36Å; V971-N975 PolarHBondContact O-N 3.02Å |
| 972 | D | 43.4 | Very low | 39.7 | Very low | 115 Ų | 115 | 101.6 Ų | 101.6 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.9 | -31 | 178.2 | -73.1 | -22.3 | 0 | 0 | 0 | 112.7 | L974 S976 | D972-L974 VanDerWaalsContact C-N 3.35Å; D972-S976 PolarHBondContact O-N 2.86Å; D972-S976 PolarHBondContact O-OG 3.09Å |
| 973 | L | 41.2 | Very low | 41.6 | Very low | 93 Ų | 93 | 96.9 Ų | 96.9 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.2 | -26.1 | 171.4 | -97.1 | 144.3 | 0 | 0 | 0 | 113.4 | L921 V971 S976 | L921-L973 HydrophobicContact CD2-CD2 4.26Å; V971-L973 VanDerWaalsContact C-N 3.35Å; V971-L973 PolarHBondContact O-N 3.42Å; L973-S976 PolarHBondContact O-OG 3.01Å |
| 974 | L | 39.7 | Very low | 43.6 | Very low | 45 Ų | 45 | 96.7 Ų | 96.7 | 24% | 0.236 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -83.3 | -28.9 | 175.6 | -101.2 | 146.6 | 0 | 0 | 0 | 112.8 | R914 D970 V971 D972 S976 I977 | R914-L974 HydrophobicContact CG-CD2 4.22Å; D970-L974 PolarHBondContact O-N 3.06Å; V971-L974 PolarHBondContact O-N 3.36Å; D972-L974 VanDerWaalsContact C-N 3.35Å; L974-S976 VanDerWaalsContact C-N 3.29Å; L974-I977 HydrophobicContact CD2-CD1 3.75Å; L974-I977 HydrophobicContact CG-CD1 4.34Å; L974-I977 VanDerWaalsContact O-CD1 3.23Å; L974-I977 WeakPolarHBondContact O-CD1 3.45Å; L974-I977 VanDerWaalsContact O-CG1 3.24Å; L974-I977 WeakPolarHBondContact O-CG1 3.21Å |
| 975 | N | 43.1 | Very low | 45.9 | Very low | 131 Ų | 131 | 94.2 Ų | 94.2 | 70% | 0.701 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -78.4 | -15 | 177.1 | -73.8 | -18.6 | 0 | 0 | 0 | 113.1 | V971 | V971-N975 PolarHBondContact O-N 3.02Å |
| 976 | S | 40.6 | Very low | 48.1 | Very low | 82 Ų | 82 | 88.3 Ų | 88.3 | 57% | 0.573 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 21.6 | 180 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | D972 L973 L974 E978 | D972-S976 PolarHBondContact O-N 2.86Å; D972-S976 PolarHBondContact O-OG 3.09Å; L973-S976 PolarHBondContact O-OG 3.01Å; L974-S976 VanDerWaalsContact C-N 3.29Å; S976-E978 VanDerWaalsContact C-N 3.3Å; S976-E978 PolarHBondContact O-N 3.03Å |
| 977 | I | 40.1 | Very low | 50.2 | Low | 77 Ų | 77 | 83.4 Ų | 83.4 | 40% | 0.395 | 45% | 0.447 | S | S | . | . | trans | -74.6 | 80.7 | 179.2 | -57 | 168.7 | 0 | 0 | 0 | 110.2 | L974 L979 | L974-I977 HydrophobicContact CD2-CD1 3.75Å; L974-I977 HydrophobicContact CG-CD1 4.34Å; L974-I977 VanDerWaalsContact O-CD1 3.23Å; L974-I977 WeakPolarHBondContact O-CD1 3.45Å; L974-I977 VanDerWaalsContact O-CG1 3.24Å; L974-I977 WeakPolarHBondContact O-CG1 3.21Å; I977-L979 HydrophobicContact CG2-CG 4.45Å | ||
| 978 | E | 41.8 | Very low | 52.4 | Low | 164 Ų | 164 | 80.3 Ų | 80.3 | 77% | 0.766 | 43% | 0.434 | S | S | * | . | trans | -69.8 | 123.9 | 140 | -88.9 | -172.7 | 149.1 | 0 | 0 | 106.7 | S976 L980 | S976-E978 VanDerWaalsContact C-N 3.3Å; S976-E978 PolarHBondContact O-N 3.03Å; E978-L980 PolarHBondContact O-N 3.21Å | ||
| 979 | L | 47.8 | Very low | 54.8 | Low | 94 Ų | 94 | 74.1 Ų | 74.1 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | trans | -63.9 | 83.7 | 168.8 | -88.9 | 155.1 | 0 | 0 | 0 | 107.8 | I977 Y983 Q984 | I977-L979 HydrophobicContact CG2-CG 4.45Å; L979-Y983 HydrophobicContact CD2-CD2 4.46Å; L979-Q984 HydrophobicContact CB-CG 4.5Å | ||
| 980 | L | 55.3 | Low | 56.9 | Low | 55 Ų | 55 | 70.6 Ų | 70.6 | 29% | 0.288 | 38% | 0.377 | S | S | . | . | trans | -43.2 | 140.4 | 171.2 | -69.9 | 167.6 | 0 | 0 | 0 | 109.7 | E978 E982 Y983 | E978-L980 PolarHBondContact O-N 3.21Å; L980-E982 WeakPolarHBondContact CB-OE2 3.46Å; L980-E982 PolarHBondContact O-N 3.11Å; L980-Y983 HydrophobicContact CB-CD2 3.64Å; L980-Y983 HydrophobicContact CB-CE2 3.66Å; L980-Y983 HydrophobicContact CD1-CE2 3.76Å; L980-Y983 HydrophobicContact CG-CD2 4.4Å; L980-Y983 HydrophobicContact CG-CE2 3.96Å; L980-Y983 WeakPolarHBondContact O-CB 3.45Å; L980-Y983 PolarHBondContact O-N 3.48Å | ||
| 981 | P | 57.4 | Low | 59.1 | Low | 77 Ų | 77 | 69.7 Ų | 69.7 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -48.5 | -36 | -176.1 | -29 | 34.6 | 0 | 0 | 0 | 113.9 | Y983 Q984 H985 | P981-Y983 VanDerWaalsContact C-N 3.26Å; P981-Y983 PolarHBondContact O-N 2.86Å; P981-Q984 PolarHBondContact O-N 3.49Å; P981-Q984 VanDerWaalsContact O-N 3.13Å; P981-H985 PolarHBondContact O-CD2 3.44Å; P981-H985 PolarHBondContact O-N 3.12Å; P981-H985 VanDerWaalsContact O-N 3.1Å |
| 982 | E | 57.9 | Low | 61.4 | Low | 61 Ų | 61 | 68.5 Ų | 68.5 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.7 | -35.8 | 178 | -57.6 | 95.6 | 133.9 | 0 | 0 | 112.6 | R928 L980 H985 V986 | R928-E982 IonicContact NH2-OE1 3.11Å; L980-E982 WeakPolarHBondContact CB-OE2 3.46Å; L980-E982 PolarHBondContact O-N 3.11Å; E982-H985 PolarHBondContact O-N 3.14Å; E982-V986 WeakPolarHBondContact O-CG2 3.46Å; E982-V986 PolarHBondContact O-N 2.89Å; E982-V986 VanDerWaalsContact O-N 3.13Å |
| 983 | Y | 62.5 | Low | 63.5 | Low | 22 Ų | 22 | 63 Ų | 63 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 177.5 | -59.3 | -49.7 | 0 | 0 | 0 | 112.5 | I920 V924 L979 L980 P981 H985 V986 L987 | I920-Y983 HydrophobicContact CG2-CD1 3.08Å; I920-Y983 HydrophobicContact CG2-CE1 3.48Å; I920-Y983 VanDerWaalsContact CG2-CE1 3.48Å; I920-Y983 HydrophobicContact CG2-CG 3.89Å; V924-Y983 HydrophobicContact CB-CE1 3.7Å; V924-Y983 HydrophobicContact CG1-CE1 3.95Å; V924-Y983 HydrophobicContact CG2-CD1 3.91Å; V924-Y983 HydrophobicContact CG2-CE1 3.44Å; V924-Y983 VanDerWaalsContact CG2-CE1 3.44Å; L979-Y983 HydrophobicContact CD2-CD2 4.46Å; L980-Y983 HydrophobicContact CB-CD2 3.64Å; L980-Y983 HydrophobicContact CB-CE2 3.66Å; L980-Y983 HydrophobicContact CD1-CE2 3.76Å; L980-Y983 HydrophobicContact CG-CD2 4.4Å; L980-Y983 HydrophobicContact CG-CE2 3.96Å; L980-Y983 WeakPolarHBondContact O-CB 3.45Å; L980-Y983 PolarHBondContact O-N 3.48Å; P981-Y983 VanDerWaalsContact C-N 3.26Å; P981-Y983 PolarHBondContact O-N 2.86Å; Y983-H985 VanDerWaalsContact C-N 3.28Å; Y983-H985 PolarHBondContact O-N 3.49Å; Y983-V986 PolarHBondContact O-N 3.2Å; Y983-L987 WeakPolarHBondContact O-CB 3.49Å; Y983-L987 PolarHBondContact O-N 3.44Å |
| 984 | Q | 70 | Confident | 65.8 | Low | 116 Ų | 116 | 58.6 Ų | 58.6 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -36.3 | 176.4 | -59.9 | -175.6 | 4.5 | 0 | 0 | 110.6 | L979 P981 S988 | L979-Q984 HydrophobicContact CB-CG 4.5Å; P981-Q984 PolarHBondContact O-N 3.49Å; P981-Q984 VanDerWaalsContact O-N 3.13Å; Q984-S988 WeakPolarHBondContact O-CB 3.35Å; Q984-S988 PolarHBondContact O-N 3.15Å |
| 985 | H | 72.7 | Confident | 68.1 | Low | 99 Ų | 99 | 60.7 Ų | 60.7 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 175.2 | -69.4 | -60.8 | 0 | 0 | 0 | 112.7 | V824 P981 E982 Y983 S988 W989 | V824-H985 HydrophobicContact CG1-CB 4.22Å; P981-H985 PolarHBondContact O-CD2 3.44Å; P981-H985 PolarHBondContact O-N 3.12Å; P981-H985 VanDerWaalsContact O-N 3.1Å; E982-H985 PolarHBondContact O-N 3.14Å; Y983-H985 VanDerWaalsContact C-N 3.28Å; Y983-H985 PolarHBondContact O-N 3.49Å; H985-S988 PolarHBondContact O-N 3.12Å; H985-W989 VanDerWaalsContact O-CB 3.25Å; H985-W989 WeakPolarHBondContact O-CB 3.35Å; H985-W989 PolarHBondContact O-N 3.15Å |
| 986 | V | 76.1 | Confident | 70.3 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.1 | V824 E982 Y983 W989 S990 | V824-V986 HydrophobicContact CG1-CG2 4.21Å; V824-V986 HydrophobicContact CG2-CG2 4.4Å; E982-V986 WeakPolarHBondContact O-CG2 3.46Å; E982-V986 PolarHBondContact O-N 2.89Å; E982-V986 VanDerWaalsContact O-N 3.13Å; Y983-V986 PolarHBondContact O-N 3.2Å; V986-W989 PolarHBondContact O-N 3.31Å; V986-S990 WeakPolarHBondContact O-CB 3.4Å; V986-S990 PolarHBondContact O-N 3.1Å; V986-S990 PolarHBondContact O-OG 2.85Å; V986-S990 VanDerWaalsContact O-OG 3.14Å |
| 987 | L | 77 | Confident | 72.8 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.9 | -78.3 | 174 | 0 | 0 | 0 | 112.5 | M888 L916 I920 Y983 S990 W991 | M888-L987 HydrophobicContact CG-CD2 4.24Å; L916-L987 HydrophobicContact CD1-CD2 4.26Å; I920-L987 HydrophobicContact CD1-CD1 3.92Å; I920-L987 HydrophobicContact CD1-CD2 3.87Å; I920-L987 HydrophobicContact CD1-CG 3.94Å; Y983-L987 WeakPolarHBondContact O-CB 3.49Å; Y983-L987 PolarHBondContact O-N 3.44Å; L987-S990 PolarHBondContact O-N 3.27Å; L987-W991 HydrophobicContact CB-CE3 4.49Å; L987-W991 HydrophobicContact CB-CH2 4.23Å; L987-W991 HydrophobicContact CB-CZ2 4.37Å; L987-W991 HydrophobicContact CB-CZ3 4.29Å; L987-W991 HydrophobicContact CD1-CH2 4.38Å; L987-W991 HydrophobicContact CD2-CZ2 4.12Å; L987-W991 WeakPolarHBondContact O-CB 3.31Å; L987-W991 VanDerWaalsContact O-CG 3.31Å; L987-W991 PolarHBondContact O-N 2.77Å |
| 988 | S | 79.7 | Confident | 75.2 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 38% | 0.378 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 177.1 | -179 | 0 | 0 | 0 | 0 | 111.5 | Q984 H985 N992 | Q984-S988 WeakPolarHBondContact O-CB 3.35Å; Q984-S988 PolarHBondContact O-N 3.15Å; H985-S988 PolarHBondContact O-N 3.12Å; S988-N992 WeakPolarHBondContact O-CB 3.39Å; S988-N992 PolarHBondContact O-N 3.08Å; S988-N992 PolarHBondContact O-ND2 3.22Å; S988-N992 PolarHBondContact OG-ND2 2.87Å |
| 989 | W | 86.4 | Confident | 77.6 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -51.2 | 173.6 | 177.3 | 81 | 0 | 0 | 0 | 111 | F797 L820 V824 S828 L883 H985 V986 W991 N992 T993 | F797-W989 HydrophobicContact CD1-CZ2 4.37Å; L820-W989 HydrophobicContact CD1-CH2 4.35Å; L820-W989 HydrophobicContact CD1-CZ3 4.09Å; V824-W989 HydrophobicContact CG1-CB 4Å; V824-W989 HydrophobicContact CG1-CG 4.35Å; V824-W989 HydrophobicContact CG2-CB 4.3Å; V824-W989 HydrophobicContact CG2-CD2 3.75Å; V824-W989 HydrophobicContact CG2-CE3 3.78Å; V824-W989 HydrophobicContact CG2-CG 3.99Å; V824-W989 HydrophobicContact CG2-CZ3 4.39Å; S828-W989 PolarHBondContact O-NE1 3.11Å; L883-W989 HydrophobicContact CD2-CH2 4.01Å; H985-W989 VanDerWaalsContact O-CB 3.25Å; H985-W989 WeakPolarHBondContact O-CB 3.35Å; H985-W989 PolarHBondContact O-N 3.15Å; V986-W989 PolarHBondContact O-N 3.31Å; W989-W991 PolarHBondContact O-N 3.18Å; W989-N992 PolarHBondContact O-N 3.37Å; W989-T993 VanDerWaalsContact O-CB 3.26Å; W989-T993 WeakPolarHBondContact O-CB 3.27Å; W989-T993 PolarHBondContact O-N 2.89Å; W989-T993 PolarHBondContact O-OG1 3.36Å |
| 990 | S | 85.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | -179.6 | -66.3 | 0 | 0 | 0 | 0 | 112.6 | T887 V986 L987 L994 | T887-S990 PolarHBondContact OG1-OG 3.32Å; V986-S990 WeakPolarHBondContact O-CB 3.4Å; V986-S990 PolarHBondContact O-N 3.1Å; V986-S990 PolarHBondContact O-OG 2.85Å; V986-S990 VanDerWaalsContact O-OG 3.14Å; L987-S990 PolarHBondContact O-N 3.27Å; S990-L994 WeakPolarHBondContact O-CB 3.21Å; S990-L994 WeakPolarHBondContact O-CD1 3.36Å; S990-L994 VanDerWaalsContact O-CG 3.24Å; S990-L994 WeakPolarHBondContact O-CG 3.45Å; S990-L994 PolarHBondContact O-N 2.94Å |
| 991 | W | 83.9 | Confident | 81.5 | Confident | 75 Ų | 75 | 33.4 Ų | 33.4 | 28% | 0.284 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 177.4 | -69.2 | -25.8 | 0 | 0 | 0 | 113.2 | M888 L987 W989 K995 H1042 | M888-W991 VanDerWaalsContact SD-CD1 3.59Å; M888-W991 PolarHBondContact SD-NE1 3.48Å; L987-W991 HydrophobicContact CB-CE3 4.49Å; L987-W991 HydrophobicContact CB-CH2 4.23Å; L987-W991 HydrophobicContact CB-CZ2 4.37Å; L987-W991 HydrophobicContact CB-CZ3 4.29Å; L987-W991 HydrophobicContact CD1-CH2 4.38Å; L987-W991 HydrophobicContact CD2-CZ2 4.12Å; L987-W991 WeakPolarHBondContact O-CB 3.31Å; L987-W991 VanDerWaalsContact O-CG 3.31Å; L987-W991 PolarHBondContact O-N 2.77Å; W989-W991 PolarHBondContact O-N 3.18Å; W991-K995 WeakPolarHBondContact O-CB 3.46Å; W991-K995 PolarHBondContact O-N 3.16Å; W991-H1042 HydrophobicContact CD2-CB 4.19Å; W991-H1042 HydrophobicContact CG-CB 4.48Å; W991-H1042 HydrophobicContact CZ2-CB 4.36Å |
| 992 | N | 86.4 | Confident | 83 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.1 | -42.9 | 177.9 | -75.6 | -46.2 | 0 | 0 | 0 | 111.4 | L830 S988 W989 K995 F996 | L830-N992 HydrophobicContact CD1-CB 4.49Å; L830-N992 HydrophobicContact CD2-CB 3.81Å; S988-N992 WeakPolarHBondContact O-CB 3.39Å; S988-N992 PolarHBondContact O-N 3.08Å; S988-N992 PolarHBondContact O-ND2 3.22Å; S988-N992 PolarHBondContact OG-ND2 2.87Å; W989-N992 PolarHBondContact O-N 3.37Å; N992-K995 WeakPolarHBondContact O-CB 3.41Å; N992-K995 PolarHBondContact O-N 3.4Å; N992-F996 HydrophobicContact CB-CD2 4.45Å; N992-F996 HydrophobicContact CB-CE2 4.12Å; N992-F996 WeakPolarHBondContact O-CD2 3.14Å; N992-F996 WeakPolarHBondContact O-CG 3.19Å; N992-F996 PolarHBondContact O-N 3.44Å |
| 993 | T | 89.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | L830 L833 L880 C884 W989 K995 F996 C997 | L830-T993 WeakPolarHBondContact CD2-OG1 3.36Å; L833-T993 HydrophobicContact CD1-CG2 3.79Å; L880-T993 HydrophobicContact CB-CG2 4.48Å; L880-T993 HydrophobicContact CD2-CG2 4.39Å; C884-T993 WeakPolarHBondContact SG-CG2 3.44Å; W989-T993 VanDerWaalsContact O-CB 3.26Å; W989-T993 WeakPolarHBondContact O-CB 3.27Å; W989-T993 PolarHBondContact O-N 2.89Å; W989-T993 PolarHBondContact O-OG1 3.36Å; T993-K995 VanDerWaalsContact C-N 3.35Å; T993-K995 PolarHBondContact O-N 3.07Å; T993-F996 PolarHBondContact O-N 3.43Å; T993-C997 VanDerWaalsContact O-CB 3.26Å; T993-C997 WeakPolarHBondContact O-CB 3.41Å; T993-C997 PolarHBondContact O-N 3.39Å; T993-C997 PolarHBondContact O-SG 3.44Å |
| 994 | L | 88.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.3 | -78.3 | 167.3 | 0 | 0 | 0 | 112.6 | C881 C884 L885 M888 S990 S998 Q1036 | C881-L994 HydrophobicContact CB-CD2 4.06Å; C884-L994 HydrophobicContact CB-CD1 3.81Å; C884-L994 HydrophobicContact CB-CD2 3.9Å; C884-L994 HydrophobicContact CB-CG 3.53Å; L885-L994 HydrophobicContact CG-CD2 4.43Å; M888-L994 HydrophobicContact CE-CD1 3.24Å; M888-L994 HydrophobicContact SD-CD1 4.14Å; S990-L994 WeakPolarHBondContact O-CB 3.21Å; S990-L994 WeakPolarHBondContact O-CD1 3.36Å; S990-L994 VanDerWaalsContact O-CG 3.24Å; S990-L994 WeakPolarHBondContact O-CG 3.45Å; S990-L994 PolarHBondContact O-N 2.94Å; L994-S998 WeakPolarHBondContact O-CB 3.37Å; L994-S998 PolarHBondContact O-N 3.17Å; L994-S998 PolarHBondContact O-OG 3.02Å; L994-Q1036 HydrophobicContact CD2-CG 4.16Å |
| 995 | K | 87.6 | Confident | 86.6 | Confident | 88 Ų | 88 | 21.3 Ų | 21.3 | 38% | 0.383 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 177.4 | 176.6 | -175.5 | 172.7 | -170.9 | 0 | 111.5 | W991 N992 T993 S998 S999 A1048 | W991-K995 WeakPolarHBondContact O-CB 3.46Å; W991-K995 PolarHBondContact O-N 3.16Å; N992-K995 WeakPolarHBondContact O-CB 3.41Å; N992-K995 PolarHBondContact O-N 3.4Å; T993-K995 VanDerWaalsContact C-N 3.35Å; T993-K995 PolarHBondContact O-N 3.07Å; K995-S998 PolarHBondContact O-OG 3.44Å; K995-S999 PolarHBondContact O-N 3.22Å; K995-A1048 HydrophobicContact CD-CB 4.26Å; K995-A1048 HydrophobicContact CG-CB 3.82Å |
| 996 | F | 90.2 | Very high | 87.1 | Confident | 14 Ų | 14 | 16.7 Ų | 16.7 | 6% | 0.061 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.7 | -47.4 | -179.1 | -63.7 | -53.5 | 0 | 0 | 0 | 111.6 | L830 L833 L834 D837 N992 T993 S998 S999 I1000 | L830-F996 HydrophobicContact CD2-CD2 4.45Å; L830-F996 HydrophobicContact CD2-CE2 4.5Å; L833-F996 HydrophobicContact CB-CB 3.8Å; L833-F996 HydrophobicContact CB-CD2 4.24Å; L833-F996 HydrophobicContact CB-CG 4.27Å; L834-F996 HydrophobicContact CB-CE1 4.3Å; L834-F996 HydrophobicContact CB-CZ 4.25Å; L834-F996 HydrophobicContact CD1-CD1 4.33Å; L834-F996 HydrophobicContact CD1-CE1 3.59Å; L834-F996 HydrophobicContact CD1-CZ 4Å; D837-F996 HydrophobicContact CB-CD1 4.48Å; N992-F996 HydrophobicContact CB-CD2 4.45Å; N992-F996 HydrophobicContact CB-CE2 4.12Å; N992-F996 WeakPolarHBondContact O-CD2 3.14Å; N992-F996 WeakPolarHBondContact O-CG 3.19Å; N992-F996 PolarHBondContact O-N 3.44Å; T993-F996 PolarHBondContact O-N 3.43Å; F996-S998 VanDerWaalsContact C-N 3.32Å; F996-S998 PolarHBondContact O-N 3.47Å; F996-S999 PolarHBondContact O-N 3.3Å; F996-S999 VanDerWaalsContact O-N 3.08Å; F996-I1000 WeakPolarHBondContact O-CB 3.39Å; F996-I1000 WeakPolarHBondContact O-CG1 3.38Å; F996-I1000 PolarHBondContact O-N 3.12Å |
| 997 | C | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 178.9 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | C877 C881 T993 S999 I1000 I1001 | C877-C997 HydrophobicContact CB-CB 4.2Å; C881-C997 WeakPolarHBondContact SG-CB 3.32Å; T993-C997 VanDerWaalsContact O-CB 3.26Å; T993-C997 WeakPolarHBondContact O-CB 3.41Å; T993-C997 PolarHBondContact O-N 3.39Å; T993-C997 PolarHBondContact O-SG 3.44Å; C997-S999 VanDerWaalsContact C-N 3.31Å; C997-S999 PolarHBondContact O-N 3.22Å; C997-I1000 PolarHBondContact O-N 2.94Å; C997-I1001 VanDerWaalsContact O-CG1 3.32Å; C997-I1001 WeakPolarHBondContact O-CG1 3.36Å; C997-I1001 WeakPolarHBondContact O-CG2 3.34Å; C997-I1001 PolarHBondContact O-N 3.1Å |
| 998 | S | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 176 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | L994 K995 F996 I1001 A1002 L1049 N1052 | L994-S998 WeakPolarHBondContact O-CB 3.37Å; L994-S998 PolarHBondContact O-N 3.17Å; L994-S998 PolarHBondContact O-OG 3.02Å; K995-S998 PolarHBondContact O-OG 3.44Å; F996-S998 VanDerWaalsContact C-N 3.32Å; F996-S998 PolarHBondContact O-N 3.47Å; S998-I1001 WeakPolarHBondContact O-CG1 3.48Å; S998-A1002 WeakPolarHBondContact O-CB 3.4Å; S998-A1002 PolarHBondContact O-N 2.94Å; S998-L1049 VanDerWaalsContact CB-CD2 3.45Å; S998-L1049 WeakPolarHBondContact OG-CD2 2.88Å; S998-N1052 PolarHBondContact OG-ND2 3.17Å |
| 999 | S | 92.2 | Very high | 87.1 | Confident | 17 Ų | 17 | 13.7 Ų | 13.7 | 12% | 0.119 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -75.5 | -41.2 | 176.4 | -154.4 | 0 | 0 | 0 | 0 | 111.9 | D837 K995 F996 C997 I1001 A1002 N1003 N1052 | D837-S999 WeakPolarHBondContact OD1-CB 3.37Å; D837-S999 PolarHBondContact OD1-OG 2.91Å; K995-S999 PolarHBondContact O-N 3.22Å; F996-S999 PolarHBondContact O-N 3.3Å; F996-S999 VanDerWaalsContact O-N 3.08Å; C997-S999 VanDerWaalsContact C-N 3.31Å; C997-S999 PolarHBondContact O-N 3.22Å; S999-I1001 PolarHBondContact O-N 2.96Å; S999-A1002 PolarHBondContact O-N 3.24Å; S999-N1003 WeakPolarHBondContact O-CB 3.14Å; S999-N1003 PolarHBondContact O-N 3.47Å; S999-N1003 PolarHBondContact O-ND2 3.18Å; S999-N1003 PolarHBondContact OG-ND2 3.11Å; S999-N1052 VanDerWaalsContact CA-CG 3.48Å; S999-N1052 VanDerWaalsContact CA-ND2 3.33Å; S999-N1052 WeakPolarHBondContact CA-ND2 3.22Å; S999-N1052 WeakPolarHBondContact CA-OD1 3.37Å; S999-N1052 WeakPolarHBondContact CB-ND2 3.43Å; S999-N1052 WeakPolarHBondContact CB-OD1 3.21Å; S999-N1052 PolarHBondContact N-ND2 2.81Å; S999-N1052 VanDerWaalsContact N-ND2 3.16Å; S999-N1052 PolarHBondContact OG-OD1 2.98Å |
| 1000 | I | 93.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56 | -52.5 | 174.5 | -70.1 | 165.5 | 0 | 0 | 0 | 110.7 | L833 I836 D837 L840 L873 F996 C997 A1002 N1003 W1004 | L833-I1000 HydrophobicContact CB-CD1 4.36Å; L833-I1000 HydrophobicContact CD2-CD1 3.95Å; L833-I1000 WeakPolarHBondContact O-CD1 3.33Å; I836-I1000 HydrophobicContact CB-CD1 4.03Å; I836-I1000 HydrophobicContact CB-CG1 4.39Å; I836-I1000 HydrophobicContact CG2-CD1 3.96Å; I836-I1000 HydrophobicContact CG2-CG1 3.99Å; I836-I1000 HydrophobicContact CG2-CG2 3.92Å; D837-I1000 HydrophobicContact CB-CD1 4.38Å; D837-I1000 HydrophobicContact CB-CG1 3.82Å; L840-I1000 HydrophobicContact CD1-CB 4.25Å; L840-I1000 HydrophobicContact CD1-CG1 4.49Å; L840-I1000 HydrophobicContact CD1-CG2 3.72Å; L873-I1000 HydrophobicContact CD1-CG2 4.4Å; L873-I1000 HydrophobicContact CD2-CG2 4.36Å; L873-I1000 HydrophobicContact CG-CG2 4.31Å; F996-I1000 WeakPolarHBondContact O-CB 3.39Å; F996-I1000 WeakPolarHBondContact O-CG1 3.38Å; F996-I1000 PolarHBondContact O-N 3.12Å; C997-I1000 PolarHBondContact O-N 2.94Å; I1000-A1002 VanDerWaalsContact C-N 3.34Å; I1000-A1002 PolarHBondContact O-N 3.43Å; I1000-N1003 PolarHBondContact O-N 2.84Å; I1000-W1004 WeakPolarHBondContact O-CB 3.43Å; I1000-W1004 PolarHBondContact O-N 2.82Å |
| 1001 | I | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | -178 | 63.3 | -172.6 | 0 | 0 | 0 | 112.4 | P874 C877 L878 C997 S998 S999 F1005 I1029 L1033 | P874-I1001 HydrophobicContact CB-CG2 4.37Å; C877-I1001 HydrophobicContact CB-CG2 3.58Å; L878-I1001 HydrophobicContact CD2-CD1 4.19Å; C997-I1001 VanDerWaalsContact O-CG1 3.32Å; C997-I1001 WeakPolarHBondContact O-CG1 3.36Å; C997-I1001 WeakPolarHBondContact O-CG2 3.34Å; C997-I1001 PolarHBondContact O-N 3.1Å; S998-I1001 WeakPolarHBondContact O-CG1 3.48Å; S999-I1001 PolarHBondContact O-N 2.96Å; I1001-F1005 WeakPolarHBondContact O-CB 3.33Å; I1001-F1005 PolarHBondContact O-N 3.25Å; I1001-I1029 HydrophobicContact CB-CD1 4.34Å; I1001-I1029 HydrophobicContact CB-CG1 4.19Å; I1001-I1029 HydrophobicContact CB-CG2 4.09Å; I1001-I1029 HydrophobicContact CD1-CG2 4.18Å; I1001-I1029 HydrophobicContact CG1-CG2 3.98Å; I1001-L1033 HydrophobicContact CD1-CD2 3.85Å; I1001-L1033 HydrophobicContact CD1-CG 4.01Å; I1001-L1033 HydrophobicContact CG1-CD2 4.13Å; I1001-L1033 HydrophobicContact CG1-CG 4.4Å |
| 1002 | A | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.4 | -48.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S998 S999 I1000 F1005 A1006 L1033 N1052 L1055 | S998-A1002 WeakPolarHBondContact O-CB 3.4Å; S998-A1002 PolarHBondContact O-N 2.94Å; S999-A1002 PolarHBondContact O-N 3.24Å; I1000-A1002 VanDerWaalsContact C-N 3.34Å; I1000-A1002 PolarHBondContact O-N 3.43Å; A1002-F1005 PolarHBondContact O-N 3.07Å; A1002-A1006 WeakPolarHBondContact O-CB 3.44Å; A1002-A1006 PolarHBondContact O-N 3.26Å; A1002-L1033 HydrophobicContact CB-CD1 4.37Å; A1002-N1052 HydrophobicContact CB-CB 3.91Å; A1002-N1052 WeakPolarHBondContact CB-O 3.13Å; A1002-L1055 HydrophobicContact CB-CD2 4.33Å |
| 1003 | N | 90.2 | Very high | 83.3 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.3 | -79.4 | -57.3 | 0 | 0 | 0 | 111.5 | L840 T841 L844 S999 I1000 F1005 A1006 I1007 L1055 | L840-N1003 HydrophobicContact CB-CB 3.81Å; T841-N1003 PolarHBondContact OG1-ND2 3.1Å; L844-N1003 VanDerWaalsContact CD2-OD1 3.31Å; L844-N1003 WeakPolarHBondContact CD2-OD1 3.48Å; S999-N1003 WeakPolarHBondContact O-CB 3.14Å; S999-N1003 PolarHBondContact O-N 3.47Å; S999-N1003 PolarHBondContact O-ND2 3.18Å; S999-N1003 PolarHBondContact OG-ND2 3.11Å; I1000-N1003 PolarHBondContact O-N 2.84Å; N1003-F1005 PolarHBondContact O-N 2.91Å; N1003-A1006 PolarHBondContact O-N 3.19Å; N1003-I1007 VanDerWaalsContact O-CG1 3.28Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.15Å; N1003-I1007 PolarHBondContact O-N 3.17Å; N1003-L1055 WeakPolarHBondContact OD1-CD2 3.4Å |
| 1004 | W | 89.7 | Confident | 81.5 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 176.4 | -178.4 | 89.3 | 0 | 0 | 0 | 111.1 | L840 I868 C870 P874 I1000 A1006 I1007 Q1008 I1017 L1025 I1029 | L840-W1004 HydrophobicContact CD1-CB 4.16Å; I868-W1004 PolarHBondContact O-NE1 2.82Å; C870-W1004 PolarHBondContact O-NE1 2.84Å; P874-W1004 HydrophobicContact CB-CD2 4.29Å; P874-W1004 HydrophobicContact CB-CE3 4.1Å; P874-W1004 HydrophobicContact CB-CZ3 4.32Å; P874-W1004 HydrophobicContact CG-CD2 3.95Å; P874-W1004 HydrophobicContact CG-CE3 3.96Å; P874-W1004 HydrophobicContact CG-CH2 3.81Å; P874-W1004 HydrophobicContact CG-CZ2 3.78Å; P874-W1004 HydrophobicContact CG-CZ3 3.9Å; I1000-W1004 WeakPolarHBondContact O-CB 3.43Å; I1000-W1004 PolarHBondContact O-N 2.82Å; W1004-A1006 PolarHBondContact O-N 3.33Å; W1004-I1007 PolarHBondContact O-N 2.97Å; W1004-Q1008 HydrophobicContact CD2-CG 3.82Å; W1004-Q1008 HydrophobicContact CE3-CG 3.92Å; W1004-Q1008 HydrophobicContact CH2-CG 3.66Å; W1004-Q1008 HydrophobicContact CZ2-CG 3.56Å; W1004-Q1008 HydrophobicContact CZ3-CG 3.84Å; W1004-Q1008 VanDerWaalsContact O-CG 3.31Å; W1004-Q1008 WeakPolarHBondContact O-CG 3.41Å; W1004-Q1008 PolarHBondContact O-N 2.72Å; W1004-I1017 HydrophobicContact CH2-CD1 3.6Å; W1004-I1017 HydrophobicContact CZ2-CD1 3.9Å; W1004-L1025 HydrophobicContact CH2-CD2 3.36Å; W1004-L1025 HydrophobicContact CZ2-CD2 4.41Å; W1004-L1025 HydrophobicContact CZ3-CD2 3.48Å; W1004-L1025 VanDerWaalsContact CZ3-CD2 3.48Å; W1004-L1025 HydrophobicContact CZ3-CG 4.46Å; W1004-I1029 HydrophobicContact CE3-CD1 4.04Å; W1004-I1029 HydrophobicContact CZ3-CD1 4.13Å |
| 1005 | F | 85.9 | Confident | 79.7 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.1 | 179.9 | -107.9 | 0 | 0 | 0 | 112.1 | I1001 A1002 N1003 I1007 Q1008 C1009 A1026 I1029 Y1056 T1059 V1060 | I1001-F1005 WeakPolarHBondContact O-CB 3.33Å; I1001-F1005 PolarHBondContact O-N 3.25Å; A1002-F1005 PolarHBondContact O-N 3.07Å; N1003-F1005 PolarHBondContact O-N 2.91Å; F1005-I1007 VanDerWaalsContact C-N 3.31Å; F1005-I1007 PolarHBondContact O-N 3.35Å; F1005-Q1008 PolarHBondContact O-N 3.42Å; F1005-C1009 VanDerWaalsContact CZ-SG 3.55Å; F1005-C1009 WeakPolarHBondContact O-CB 3.36Å; F1005-C1009 PolarHBondContact O-N 3.06Å; F1005-A1026 HydrophobicContact CD2-CB 4.2Å; F1005-A1026 HydrophobicContact CE2-CB 3.43Å; F1005-A1026 VanDerWaalsContact CE2-CB 3.43Å; F1005-A1026 HydrophobicContact CZ-CB 3.99Å; F1005-I1029 HydrophobicContact CB-CD1 4.21Å; F1005-Y1056 AromaticContact CD1-CD2 3.51Å; F1005-Y1056 HydrophobicContact CD1-CD2 3.51Å; F1005-Y1056 AromaticContact CD1-CE2 3.86Å; F1005-Y1056 HydrophobicContact CD1-CE2 3.86Å; F1005-Y1056 HydrophobicContact CD1-CG 4.44Å; F1005-Y1056 AromaticContact CE1-CD2 3.81Å; F1005-Y1056 HydrophobicContact CE1-CD2 3.81Å; F1005-Y1056 AromaticContact CE1-CE2 3.81Å; F1005-Y1056 HydrophobicContact CE1-CE2 3.81Å; F1005-Y1056 HydrophobicContact CG-CD2 4.14Å; F1005-Y1056 HydrophobicContact CG-CE2 4.31Å; F1005-Y1056 HydrophobicContact CZ-CE2 4.24Å; F1005-T1059 HydrophobicContact CD1-CG2 3.87Å; F1005-T1059 HydrophobicContact CE1-CG2 3.69Å; F1005-V1060 HydrophobicContact CE1-CG2 3.64Å; F1005-V1060 HydrophobicContact CZ-CG2 3.9Å |
| 1006 | A | 82 | Confident | 78.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L844 A1002 N1003 W1004 L1055 T1059 | L844-A1006 HydrophobicContact CD1-CB 3.92Å; L844-A1006 HydrophobicContact CD2-CB 4Å; A1002-A1006 WeakPolarHBondContact O-CB 3.44Å; A1002-A1006 PolarHBondContact O-N 3.26Å; N1003-A1006 PolarHBondContact O-N 3.19Å; W1004-A1006 PolarHBondContact O-N 3.33Å; A1006-L1055 HydrophobicContact CB-CD1 4.05Å; A1006-L1055 HydrophobicContact CB-CD2 4.33Å; A1006-L1055 HydrophobicContact CB-CG 4.15Å; A1006-T1059 HydrophobicContact CB-CG2 4.36Å |
| 1007 | I | 80.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | 175.4 | -66.1 | 163.4 | 0 | 0 | 0 | 110.6 | L840 C843 L844 L847 W856 I868 N1003 W1004 F1005 C1009 K1010 L1011 | L840-I1007 HydrophobicContact CB-CD1 4.16Å; L840-I1007 HydrophobicContact CD2-CD1 3.77Å; C843-I1007 HydrophobicContact CB-CD1 4.14Å; L844-I1007 HydrophobicContact CB-CD1 4.31Å; L844-I1007 HydrophobicContact CB-CG1 4.04Å; L844-I1007 HydrophobicContact CD1-CG1 4.08Å; L847-I1007 HydrophobicContact CD1-CG1 4.18Å; L847-I1007 HydrophobicContact CD1-CG2 4.08Å; W856-I1007 HydrophobicContact CH2-CG2 4.09Å; W856-I1007 HydrophobicContact CZ3-CG2 4.05Å; I868-I1007 HydrophobicContact CG2-CD1 4.47Å; I868-I1007 HydrophobicContact CG2-CG2 3.63Å; N1003-I1007 VanDerWaalsContact O-CG1 3.28Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.15Å; N1003-I1007 PolarHBondContact O-N 3.17Å; W1004-I1007 PolarHBondContact O-N 2.97Å; F1005-I1007 VanDerWaalsContact C-N 3.31Å; F1005-I1007 PolarHBondContact O-N 3.35Å; I1007-C1009 VanDerWaalsContact C-N 3.28Å; I1007-C1009 PolarHBondContact O-N 3.42Å; I1007-K1010 PolarHBondContact O-N 3.3Å; I1007-L1011 PolarHBondContact O-N 3.24Å |
| 1008 | Q | 79.5 | Confident | 74.8 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.2 | -39.8 | -179.9 | -75.1 | -61.6 | -36.2 | 0 | 0 | 113 | I868 W1004 F1005 K1010 L1011 R1022 | I868-Q1008 PolarHBondContact O-NE2 3.05Å; I868-Q1008 VanDerWaalsContact O-NE2 3.11Å; W1004-Q1008 HydrophobicContact CD2-CG 3.82Å; W1004-Q1008 HydrophobicContact CE3-CG 3.92Å; W1004-Q1008 HydrophobicContact CH2-CG 3.66Å; W1004-Q1008 HydrophobicContact CZ2-CG 3.56Å; W1004-Q1008 HydrophobicContact CZ3-CG 3.84Å; W1004-Q1008 VanDerWaalsContact O-CG 3.31Å; W1004-Q1008 WeakPolarHBondContact O-CG 3.41Å; W1004-Q1008 PolarHBondContact O-N 2.72Å; F1005-Q1008 PolarHBondContact O-N 3.42Å; Q1008-K1010 PolarHBondContact O-N 2.9Å; Q1008-L1011 PolarHBondContact O-N 3.34Å; Q1008-R1022 VanDerWaalsContact O-CZ 3.29Å; Q1008-R1022 PolarHBondContact O-NH1 3.14Å; Q1008-R1022 PolarHBondContact O-NH2 3.15Å |
| 1009 | C | 74.1 | Confident | 73.3 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 14% | 0.142 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.5 | 175.8 | -81.9 | 0 | 0 | 0 | 0 | 114.4 | F1005 I1007 T1059 H1063 | F1005-C1009 VanDerWaalsContact CZ-SG 3.55Å; F1005-C1009 WeakPolarHBondContact O-CB 3.36Å; F1005-C1009 PolarHBondContact O-N 3.06Å; I1007-C1009 VanDerWaalsContact C-N 3.28Å; I1007-C1009 PolarHBondContact O-N 3.42Å; C1009-T1059 HydrophobicContact CB-CG2 3.38Å; C1009-T1059 VanDerWaalsContact SG-CG2 3.6Å; C1009-H1063 PolarHBondContact O-CD2 3.12Å; C1009-H1063 VanDerWaalsContact SG-CD2 3.54Å |
| 1010 | K | 72.7 | Confident | 71.6 | Confident | 96 Ų | 96 | 47.3 Ų | 47.3 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -13.8 | 177.1 | -69.5 | -175.1 | 176.4 | -172.9 | 0 | 113.6 | M848 W856 I1007 Q1008 | M848-K1010 PolarHBondContact SD-NZ 2.87Å; M848-K1010 VanDerWaalsContact SD-NZ 3.36Å; W856-K1010 HydrophobicContact CH2-CB 4.32Å; W856-K1010 HydrophobicContact CZ2-CB 4.12Å; W856-K1010 VanDerWaalsContact CZ2-O 3.29Å; W856-K1010 WeakPolarHBondContact CZ2-O 3.4Å; I1007-K1010 PolarHBondContact O-N 3.3Å; Q1008-K1010 PolarHBondContact O-N 2.9Å |
| 1011 | L | 70.1 | Confident | 70.1 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -68.3 | 144.2 | 179.2 | -76.7 | 168.4 | 0 | 0 | 0 | 111.9 | W856 Y865 I1007 Q1008 | W856-L1011 HydrophobicContact CD2-CD2 3.51Å; W856-L1011 HydrophobicContact CE3-CD2 3.27Å; W856-L1011 HydrophobicContact CE3-CG 4.36Å; W856-L1011 HydrophobicContact CG-CD2 4.32Å; W856-L1011 HydrophobicContact CH2-CB 4.5Å; W856-L1011 HydrophobicContact CH2-CD2 3.44Å; W856-L1011 VanDerWaalsContact CH2-CD2 3.44Å; W856-L1011 HydrophobicContact CH2-CG 3.65Å; W856-L1011 HydrophobicContact CZ2-CB 4.45Å; W856-L1011 HydrophobicContact CZ2-CD2 3.73Å; W856-L1011 HydrophobicContact CZ2-CG 4.04Å; W856-L1011 HydrophobicContact CZ3-CD2 3.22Å; W856-L1011 HydrophobicContact CZ3-CG 3.86Å; Y865-L1011 HydrophobicContact CE2-CD2 3.49Å; Y865-L1011 VanDerWaalsContact CE2-CD2 3.49Å; I1007-L1011 PolarHBondContact O-N 3.24Å; Q1008-L1011 PolarHBondContact O-N 3.34Å |
| 1012 | P | 62.8 | Low | 68.7 | Low | 60 Ų | 60 | 53.4 Ų | 53.4 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | trans | -65.6 | 141.7 | 177.8 | 25.4 | -32.1 | 0 | 0 | 0 | 111.9 | E1014 N1015 V1016 | P1012-E1014 PolarHBondContact O-N 3.03Å; P1012-N1015 PolarHBondContact O-N 2.78Å; P1012-N1015 VanDerWaalsContact O-N 3.14Å; P1012-V1016 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1013 | E | 56.3 | Low | 67.6 | Low | 183 Ų | 183 | 58.8 Ų | 58.8 | 86% | 0.855 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -50.2 | -31.1 | -171.2 | -73 | -173.8 | 162.3 | 0 | 0 | 115.2 | N1015 V1016 | E1013-N1015 VanDerWaalsContact C-N 3.26Å; E1013-N1015 PolarHBondContact O-N 3.31Å; E1013-V1016 WeakPolarHBondContact O-CB 3.2Å; E1013-V1016 PolarHBondContact O-N 2.92Å |
| 1014 | E | 50.7 | Low | 66.6 | Low | 189 Ų | 189 | 60.2 Ų | 60.2 | 88% | 0.883 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -65.4 | -23.2 | -177.5 | -66.7 | 179.4 | 172.3 | 0 | 0 | 114.3 | P1012 | P1012-E1014 PolarHBondContact O-N 3.03Š|
| 1015 | N | 50.8 | Low | 65.8 | Low | 86 Ų | 86 | 61.1 Ų | 61.1 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -110.7 | 15.5 | -179.9 | -72.2 | -29.9 | 0 | 0 | 0 | 113.1 | Y865 P1012 E1013 | Y865-N1015 WeakPolarHBondContact OH-CB 3.38Å; Y865-N1015 PolarHBondContact OH-ND2 3.39Å; P1012-N1015 PolarHBondContact O-N 2.78Å; P1012-N1015 VanDerWaalsContact O-N 3.14Å; E1013-N1015 VanDerWaalsContact C-N 3.26Å; E1013-N1015 PolarHBondContact O-N 3.31Å |
| 1016 | V | 53.6 | Low | 65.3 | Low | 32 Ų | 32 | 61 Ų | 61 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -87.6 | 134.5 | -174.1 | 164.6 | 0 | 0 | 0 | 0 | 110.4 | P1012 E1013 A1018 R1022 | P1012-V1016 WeakPolarHBondContact O-CG2 3.42Å; E1013-V1016 WeakPolarHBondContact O-CB 3.2Å; E1013-V1016 PolarHBondContact O-N 2.92Å; V1016-A1018 PolarHBondContact O-N 2.83Å; V1016-R1022 VanDerWaalsContact CG1-NE 3.35Å |
| 1017 | I | 56.3 | Low | 65 | Low | 14 Ų | 14 | 61.3 Ų | 61.3 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | trans | -41.8 | 132 | 160.9 | -56.6 | 177.2 | 0 | 0 | 0 | 108.8 | K871 W1004 V1019 E1021 R1022 | K871-I1017 HydrophobicContact CD-CD1 4.28Å; K871-I1017 HydrophobicContact CD-CG1 4.23Å; K871-I1017 HydrophobicContact CD-CG2 4.26Å; K871-I1017 HydrophobicContact CG-CD1 3.77Å; K871-I1017 HydrophobicContact CG-CG1 4.03Å; W1004-I1017 HydrophobicContact CH2-CD1 3.6Å; W1004-I1017 HydrophobicContact CZ2-CD1 3.9Å; I1017-V1019 PolarHBondContact O-N 2.73Å; I1017-E1021 HydrophobicContact CG2-CB 3.53Å; I1017-E1021 WeakPolarHBondContact CG2-OE2 3.49Å; I1017-R1022 HydrophobicContact CB-CB 4.37Å; I1017-R1022 HydrophobicContact CG2-CB 4.35Å | ||
| 1018 | A | 57.7 | Low | 65 | Low | 60 Ų | 60 | 63.7 Ų | 63.7 | 50% | 0.496 | 34% | 0.336 | S | S | . | . | trans | -41.9 | 134.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1016 V1020 E1021 R1022 | V1016-A1018 PolarHBondContact O-N 2.83Å; A1018-V1020 PolarHBondContact O-N 2.92Å; A1018-E1021 PolarHBondContact O-N 2.86Å; A1018-R1022 PolarHBondContact O-N 3.15Å | ||
| 1019 | V | 59.5 | Low | 65.3 | Low | 98 Ų | 98 | 63.5 Ų | 63.5 | 59% | 0.594 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -49.4 | -36.4 | -170 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | I1017 K1023 | I1017-V1019 PolarHBondContact O-N 2.73Å; V1019-K1023 WeakPolarHBondContact O-CG 3.21Å; V1019-K1023 PolarHBondContact O-N 2.69Å |
| 1020 | V | 57.4 | Low | 65.7 | Low | 119 Ų | 119 | 62.7 Ų | 62.7 | 72% | 0.721 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.8 | -49.9 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 112 | A1018 K1023 S1024 | A1018-V1020 PolarHBondContact O-N 2.92Å; V1020-K1023 PolarHBondContact O-N 2.99Å; V1020-S1024 PolarHBondContact O-N 3.33Å; V1020-S1024 VanDerWaalsContact O-N 3.14Å |
| 1021 | E | 60.5 | Low | 66.2 | Low | 96 Ų | 96 | 58.6 Ų | 58.6 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 179.8 | -74.7 | 179.6 | 173.2 | 0 | 0 | 112.2 | K871 I1017 A1018 K1023 S1024 L1025 | K871-E1021 IonicContact NZ-OE2 2.9Å; K871-E1021 PolarHBondContact NZ-OE2 3.1Å; I1017-E1021 HydrophobicContact CG2-CB 3.53Å; I1017-E1021 WeakPolarHBondContact CG2-OE2 3.49Å; A1018-E1021 PolarHBondContact O-N 2.86Å; E1021-K1023 VanDerWaalsContact C-N 3.28Å; E1021-K1023 PolarHBondContact O-N 2.83Å; E1021-S1024 PolarHBondContact O-N 3.24Å; E1021-L1025 WeakPolarHBondContact O-CB 3.45Å; E1021-L1025 PolarHBondContact O-N 3.33Å |
| 1022 | R | 63 | Low | 67 | Low | 32 Ų | 32 | 58.4 Ų | 58.4 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.8 | -179.6 | 179.8 | -80.5 | -163 | -10.5 | 111 | Q1008 V1016 I1017 A1018 A1026 | Q1008-R1022 VanDerWaalsContact O-CZ 3.29Å; Q1008-R1022 PolarHBondContact O-NH1 3.14Å; Q1008-R1022 PolarHBondContact O-NH2 3.15Å; V1016-R1022 VanDerWaalsContact CG1-NE 3.35Å; I1017-R1022 HydrophobicContact CB-CB 4.37Å; I1017-R1022 HydrophobicContact CG2-CB 4.35Å; A1018-R1022 PolarHBondContact O-N 3.15Å; R1022-A1026 WeakPolarHBondContact O-CB 3.43Å; R1022-A1026 PolarHBondContact O-N 3.09Å |
| 1023 | K | 66.5 | Low | 68.1 | Low | 112 Ų | 112 | 55.6 Ų | 55.6 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 176.8 | -76.5 | 177.9 | 179.4 | -175.5 | 0 | 112 | V1019 V1020 E1021 L1025 A1026 S1027 | V1019-K1023 WeakPolarHBondContact O-CG 3.21Å; V1019-K1023 PolarHBondContact O-N 2.69Å; V1020-K1023 PolarHBondContact O-N 2.99Å; E1021-K1023 VanDerWaalsContact C-N 3.28Å; E1021-K1023 PolarHBondContact O-N 2.83Å; K1023-L1025 PolarHBondContact O-N 2.86Å; K1023-A1026 PolarHBondContact O-N 3.32Å; K1023-S1027 WeakPolarHBondContact O-CB 3.47Å; K1023-S1027 PolarHBondContact O-N 3.18Å |
| 1024 | S | 68.8 | Low | 69.2 | Low | 39 Ų | 39 | 47 Ų | 47 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | V1020 E1021 S1027 K1028 | V1020-S1024 PolarHBondContact O-N 3.33Å; V1020-S1024 VanDerWaalsContact O-N 3.14Å; E1021-S1024 PolarHBondContact O-N 3.24Å; S1024-S1027 WeakPolarHBondContact O-CB 3.49Å; S1024-S1027 PolarHBondContact O-N 3.03Å; S1024-K1028 WeakPolarHBondContact O-CG 3.24Å; S1024-K1028 PolarHBondContact O-N 2.71Å |
| 1025 | L | 73.5 | Confident | 70.6 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 13% | 0.131 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -37.2 | 179.8 | -165.2 | 71.5 | 0 | 0 | 0 | 112.8 | P874 L878 W1004 E1021 K1023 S1027 K1028 I1029 | P874-L1025 HydrophobicContact CB-CD2 4.26Å; P874-L1025 HydrophobicContact CG-CD2 3.7Å; L878-L1025 HydrophobicContact CD1-CD1 4.36Å; W1004-L1025 HydrophobicContact CH2-CD2 3.36Å; W1004-L1025 HydrophobicContact CZ2-CD2 4.41Å; W1004-L1025 HydrophobicContact CZ3-CD2 3.48Å; W1004-L1025 VanDerWaalsContact CZ3-CD2 3.48Å; W1004-L1025 HydrophobicContact CZ3-CG 4.46Å; E1021-L1025 WeakPolarHBondContact O-CB 3.45Å; E1021-L1025 PolarHBondContact O-N 3.33Å; K1023-L1025 PolarHBondContact O-N 2.86Å; L1025-S1027 VanDerWaalsContact C-N 3.29Å; L1025-S1027 PolarHBondContact O-N 3.44Å; L1025-K1028 PolarHBondContact O-N 3.49Å; L1025-I1029 HydrophobicContact CG-CD1 4.36Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.27Å; L1025-I1029 PolarHBondContact O-N 3.41Å |
| 1026 | A | 75 | Confident | 72.1 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.041 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1005 R1022 K1023 G1030 Y1056 A1104 | F1005-A1026 HydrophobicContact CD2-CB 4.2Å; F1005-A1026 HydrophobicContact CE2-CB 3.43Å; F1005-A1026 VanDerWaalsContact CE2-CB 3.43Å; F1005-A1026 HydrophobicContact CZ-CB 3.99Å; R1022-A1026 WeakPolarHBondContact O-CB 3.43Å; R1022-A1026 PolarHBondContact O-N 3.09Å; K1023-A1026 PolarHBondContact O-N 3.32Å; A1026-G1030 PolarHBondContact O-N 3.39Å; A1026-Y1056 PolarHBondContact O-OH 2.81Å; A1026-A1104 HydrophobicContact CB-CB 3.97Å |
| 1027 | S | 75.8 | Confident | 73.2 | Confident | 8 Ų | 8 | 32.7 Ų | 32.7 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -50.8 | 172 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | K1023 S1024 L1025 I1029 G1030 Y1031 | K1023-S1027 WeakPolarHBondContact O-CB 3.47Å; K1023-S1027 PolarHBondContact O-N 3.18Å; S1024-S1027 WeakPolarHBondContact O-CB 3.49Å; S1024-S1027 PolarHBondContact O-N 3.03Å; L1025-S1027 VanDerWaalsContact C-N 3.29Å; L1025-S1027 PolarHBondContact O-N 3.44Å; S1027-I1029 PolarHBondContact O-N 2.87Å; S1027-G1030 PolarHBondContact O-N 2.75Å; S1027-Y1031 VanDerWaalsContact O-CD2 3.25Å; S1027-Y1031 WeakPolarHBondContact O-CD2 3.42Å; S1027-Y1031 PolarHBondContact O-N 3.32Å; S1027-Y1031 WeakPolarHBondContact OG-CD2 3.16Å; S1027-Y1031 VanDerWaalsContact OG-CE2 3.3Å; S1027-Y1031 WeakPolarHBondContact OG-CE2 3.32Å |
| 1028 | K | 81.3 | Confident | 74.1 | Confident | 49 Ų | 49 | 33.1 Ų | 33.1 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.8 | -45.5 | 176.9 | -67.5 | 177.7 | 179.9 | -174.6 | 0 | 113.8 | L878 F895 F902 S1024 L1025 Q1032 | L878-K1028 HydrophobicContact CD1-CB 3.88Å; F895-K1028 HydrophobicContact CD2-CG 4.32Å; F895-K1028 HydrophobicContact CG-CG 4.49Å; F902-K1028 HydrophobicContact CZ-CB 4.32Å; F902-K1028 HydrophobicContact CZ-CG 3.98Å; S1024-K1028 WeakPolarHBondContact O-CG 3.24Å; S1024-K1028 PolarHBondContact O-N 2.71Å; L1025-K1028 PolarHBondContact O-N 3.49Å; K1028-Q1032 VanDerWaalsContact O-CB 3.32Å; K1028-Q1032 WeakPolarHBondContact O-CB 3.32Å; K1028-Q1032 PolarHBondContact O-N 2.92Å |
| 1029 | I | 85.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64 | -47.8 | 177.9 | -67.6 | 170.5 | 0 | 0 | 0 | 111 | P874 I1001 W1004 F1005 L1025 S1027 Y1031 Q1032 L1033 Y1056 | P874-I1029 HydrophobicContact CB-CD1 4.35Å; I1001-I1029 HydrophobicContact CB-CD1 4.34Å; I1001-I1029 HydrophobicContact CB-CG1 4.19Å; I1001-I1029 HydrophobicContact CB-CG2 4.09Å; I1001-I1029 HydrophobicContact CD1-CG2 4.18Å; I1001-I1029 HydrophobicContact CG1-CG2 3.98Å; W1004-I1029 HydrophobicContact CE3-CD1 4.04Å; W1004-I1029 HydrophobicContact CZ3-CD1 4.13Å; F1005-I1029 HydrophobicContact CB-CD1 4.21Å; L1025-I1029 HydrophobicContact CG-CD1 4.36Å; L1025-I1029 WeakPolarHBondContact O-CG1 3.27Å; L1025-I1029 PolarHBondContact O-N 3.41Å; S1027-I1029 PolarHBondContact O-N 2.87Å; I1029-Y1031 PolarHBondContact O-N 3.39Å; I1029-Q1032 PolarHBondContact O-N 3.43Å; I1029-L1033 HydrophobicContact CG2-CD1 3.91Å; I1029-L1033 HydrophobicContact CG2-CG 4.4Å; I1029-L1033 WeakPolarHBondContact O-CB 3.45Å; I1029-L1033 WeakPolarHBondContact O-CG 3.49Å; I1029-L1033 PolarHBondContact O-N 3.45Å; I1029-Y1056 HydrophobicContact CB-CE2 4.3Å; I1029-Y1056 HydrophobicContact CG2-CD2 3.87Å; I1029-Y1056 HydrophobicContact CG2-CE2 3.98Å |
| 1030 | G | 82.3 | Confident | 75.3 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1026 S1027 L1033 L1034 Y1056 | A1026-G1030 PolarHBondContact O-N 3.39Å; S1027-G1030 PolarHBondContact O-N 2.75Å; G1030-L1033 PolarHBondContact O-N 2.84Å; G1030-L1034 VanDerWaalsContact O-CB 3.31Å; G1030-L1034 WeakPolarHBondContact O-CB 3.36Å; G1030-L1034 PolarHBondContact O-N 3.48Å; G1030-Y1056 VanDerWaalsContact CA-CZ 3.43Å; G1030-Y1056 WeakPolarHBondContact CA-OH 3.46Å |
| 1031 | Y | 82.5 | Confident | 75.7 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | -179.1 | -83.8 | -66.3 | 0 | 0 | 0 | 111.7 | F902 M904 S1027 I1029 L1034 H1035 L1098 I1105 I1113 | F902-Y1031 HydrophobicContact CD1-CG 4.28Å; F902-Y1031 HydrophobicContact CD2-CD1 4.22Å; F902-Y1031 AromaticContact CD2-CD2 3.21Å; F902-Y1031 HydrophobicContact CD2-CD2 3.21Å; F902-Y1031 HydrophobicContact CD2-CE1 4.48Å; F902-Y1031 AromaticContact CD2-CE2 3.57Å; F902-Y1031 HydrophobicContact CD2-CE2 3.57Å; F902-Y1031 AromaticContact CD2-CG 3.57Å; F902-Y1031 HydrophobicContact CD2-CG 3.57Å; F902-Y1031 HydrophobicContact CE1-CG 4.31Å; F902-Y1031 AromaticContact CE2-CD2 3.09Å; F902-Y1031 HydrophobicContact CE2-CD2 3.09Å; F902-Y1031 AromaticContact CE2-CE2 3.81Å; F902-Y1031 HydrophobicContact CE2-CE2 3.81Å; F902-Y1031 AromaticContact CE2-CG 3.61Å; F902-Y1031 HydrophobicContact CE2-CG 3.61Å; F902-Y1031 HydrophobicContact CG-CD1 4.31Å; F902-Y1031 HydrophobicContact CG-CD2 4.05Å; F902-Y1031 AromaticContact CG-CG 3.93Å; F902-Y1031 HydrophobicContact CG-CG 3.93Å; F902-Y1031 AromaticContact CZ-CD2 3.87Å; F902-Y1031 HydrophobicContact CZ-CD2 3.87Å; F902-Y1031 HydrophobicContact CZ-CG 4.01Å; M904-Y1031 HydrophobicContact CE-CD1 3.33Å; M904-Y1031 HydrophobicContact CE-CE1 3.76Å; M904-Y1031 HydrophobicContact CE-CG 4.27Å; S1027-Y1031 VanDerWaalsContact O-CD2 3.25Å; S1027-Y1031 WeakPolarHBondContact O-CD2 3.42Å; S1027-Y1031 PolarHBondContact O-N 3.32Å; S1027-Y1031 WeakPolarHBondContact OG-CD2 3.16Å; S1027-Y1031 VanDerWaalsContact OG-CE2 3.3Å; S1027-Y1031 WeakPolarHBondContact OG-CE2 3.32Å; I1029-Y1031 PolarHBondContact O-N 3.39Å; Y1031-L1034 PolarHBondContact O-N 3.24Å; Y1031-H1035 WeakPolarHBondContact O-CB 3.48Å; Y1031-H1035 PolarHBondContact O-N 3.41Å; Y1031-L1098 PolarHBondContact OH-O 2.98Å; Y1031-I1105 HydrophobicContact CD1-CD1 3.54Å; Y1031-I1105 HydrophobicContact CD2-CD1 3.61Å; Y1031-I1105 HydrophobicContact CD2-CG1 4.08Å; Y1031-I1105 HydrophobicContact CE1-CD1 3.77Å; Y1031-I1105 HydrophobicContact CE2-CD1 3.82Å; Y1031-I1105 HydrophobicContact CE2-CG1 3.98Å; Y1031-I1105 HydrophobicContact CG-CD1 3.48Å; Y1031-I1105 VanDerWaalsContact CG-CD1 3.48Å; Y1031-I1105 HydrophobicContact CG-CG1 4.44Å; Y1031-I1105 VanDerWaalsContact N-CD1 3.26Å; Y1031-I1113 HydrophobicContact CD1-CD1 4.31Å; Y1031-I1113 HydrophobicContact CE1-CD1 3.52Å |
| 1032 | Q | 86.4 | Confident | 76 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 176.6 | -171 | 72.9 | 39.8 | 0 | 0 | 112.2 | L878 C881 N882 C893 K1028 I1029 L1034 H1035 Q1036 | L878-Q1032 HydrophobicContact CD2-CB 3.47Å; L878-Q1032 VanDerWaalsContact CD2-CB 3.47Å; L878-Q1032 HydrophobicContact CD2-CG 3.61Å; C881-Q1032 HydrophobicContact CB-CG 4.1Å; N882-Q1032 PolarHBondContact OD1-NE2 3.01Å; N882-Q1032 VanDerWaalsContact OD1-NE2 3.15Å; N882-Q1032 PolarHBondContact OD1-OE1 3.38Å; C893-Q1032 VanDerWaalsContact CB-OE1 3.28Å; K1028-Q1032 VanDerWaalsContact O-CB 3.32Å; K1028-Q1032 WeakPolarHBondContact O-CB 3.32Å; K1028-Q1032 PolarHBondContact O-N 2.92Å; I1029-Q1032 PolarHBondContact O-N 3.43Å; Q1032-L1034 VanDerWaalsContact C-N 3.31Å; Q1032-L1034 PolarHBondContact O-N 2.62Å; Q1032-H1035 PolarHBondContact O-N 3.36Å; Q1032-Q1036 VanDerWaalsContact O-CG 3.28Å; Q1032-Q1036 WeakPolarHBondContact O-CG 3.04Å; Q1032-Q1036 PolarHBondContact O-N 2.78Å |
| 1033 | L | 86.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | -179.9 | -72.7 | 175.7 | 0 | 0 | 0 | 111.2 | I1001 A1002 I1029 G1030 Q1036 L1037 L1049 L1053 Y1056 | I1001-L1033 HydrophobicContact CD1-CD2 3.85Å; I1001-L1033 HydrophobicContact CD1-CG 4.01Å; I1001-L1033 HydrophobicContact CG1-CD2 4.13Å; I1001-L1033 HydrophobicContact CG1-CG 4.4Å; A1002-L1033 HydrophobicContact CB-CD1 4.37Å; I1029-L1033 HydrophobicContact CG2-CD1 3.91Å; I1029-L1033 HydrophobicContact CG2-CG 4.4Å; I1029-L1033 WeakPolarHBondContact O-CB 3.45Å; I1029-L1033 WeakPolarHBondContact O-CG 3.49Å; I1029-L1033 PolarHBondContact O-N 3.45Å; G1030-L1033 PolarHBondContact O-N 2.84Å; L1033-Q1036 PolarHBondContact O-N 2.91Å; L1033-L1037 PolarHBondContact O-N 3.16Å; L1033-L1037 VanDerWaalsContact O-N 3.07Å; L1033-L1049 HydrophobicContact CD2-CD2 4.37Å; L1033-L1053 HydrophobicContact CB-CD1 3.74Å; L1033-L1053 HydrophobicContact CB-CG 4.22Å; L1033-L1053 WeakPolarHBondContact O-CD1 3.22Å; L1033-Y1056 HydrophobicContact CD1-CD2 4.45Å; L1033-Y1056 HydrophobicContact CD1-CG 4.25Å |
| 1034 | L | 80.1 | Confident | 75.8 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.8 | -46.3 | 176.1 | 179.1 | 53.5 | 0 | 0 | 0 | 111.8 | G1030 Y1031 Q1032 Q1036 L1037 L1038 M1110 I1113 C1114 | G1030-L1034 VanDerWaalsContact O-CB 3.31Å; G1030-L1034 WeakPolarHBondContact O-CB 3.36Å; G1030-L1034 PolarHBondContact O-N 3.48Å; Y1031-L1034 PolarHBondContact O-N 3.24Å; Q1032-L1034 VanDerWaalsContact C-N 3.31Å; Q1032-L1034 PolarHBondContact O-N 2.62Å; L1034-Q1036 VanDerWaalsContact C-N 3.31Å; L1034-Q1036 PolarHBondContact O-N 3.31Å; L1034-L1037 WeakPolarHBondContact O-CB 3.3Å; L1034-L1037 PolarHBondContact O-N 3.48Å; L1034-L1037 VanDerWaalsContact O-N 3.17Å; L1034-L1038 HydrophobicContact CD1-CD1 4.11Å; L1034-L1038 HydrophobicContact CD1-CG 4.29Å; L1034-L1038 HydrophobicContact CG-CD1 4.09Å; L1034-L1038 VanDerWaalsContact O-CG 3.31Å; L1034-L1038 WeakPolarHBondContact O-CG 3.03Å; L1034-L1038 PolarHBondContact O-N 2.9Å; L1034-M1110 HydrophobicContact CD1-CG 3.63Å; L1034-M1110 HydrophobicContact CD2-CB 4.43Å; L1034-M1110 HydrophobicContact CD2-CG 4.02Å; L1034-M1110 HydrophobicContact CG-CG 4.38Å; L1034-I1113 HydrophobicContact CD2-CB 3.75Å; L1034-I1113 HydrophobicContact CD2-CD1 3.72Å; L1034-I1113 HydrophobicContact CD2-CG1 4.37Å; L1034-I1113 HydrophobicContact CD2-CG2 3.56Å; L1034-I1113 HydrophobicContact CG-CG2 4.34Å; L1034-C1114 VanDerWaalsContact CD1-SG 3.54Å |
| 1035 | H | 79.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 24.1 Ų | 24.1 | 3% | 0.032 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 177.5 | -174.6 | 63.7 | 0 | 0 | 0 | 111.9 | Q891 M904 Y1031 Q1032 L1038 Q1039 | Q891-H1035 PolarHBondContact O-NE2 2.77Å; M904-H1035 HydrophobicContact SD-CB 4.23Å; Y1031-H1035 WeakPolarHBondContact O-CB 3.48Å; Y1031-H1035 PolarHBondContact O-N 3.41Å; Q1032-H1035 PolarHBondContact O-N 3.36Å; H1035-L1038 PolarHBondContact O-N 3.49Å; H1035-Q1039 WeakPolarHBondContact O-CB 3.42Å; H1035-Q1039 VanDerWaalsContact O-CG 3.28Å; H1035-Q1039 WeakPolarHBondContact O-CG 3.17Å; H1035-Q1039 PolarHBondContact O-N 3.19Å |
| 1036 | Q | 82.3 | Confident | 75.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.5 | -73.7 | 170.8 | -7.2 | 0 | 0 | 112.6 | C881 L885 L994 Q1032 L1033 L1034 L1038 Q1039 C1040 L1049 | C881-Q1036 PolarHBondContact SG-NE2 3.22Å; L885-Q1036 HydrophobicContact CD1-CG 4.31Å; L994-Q1036 HydrophobicContact CD2-CG 4.16Å; Q1032-Q1036 VanDerWaalsContact O-CG 3.28Å; Q1032-Q1036 WeakPolarHBondContact O-CG 3.04Å; Q1032-Q1036 PolarHBondContact O-N 2.78Å; L1033-Q1036 PolarHBondContact O-N 2.91Å; L1034-Q1036 VanDerWaalsContact C-N 3.31Å; L1034-Q1036 PolarHBondContact O-N 3.31Å; Q1036-L1038 VanDerWaalsContact C-N 3.25Å; Q1036-L1038 PolarHBondContact O-N 3.03Å; Q1036-Q1039 PolarHBondContact O-N 2.78Å; Q1036-C1040 WeakPolarHBondContact O-CB 3.38Å; Q1036-C1040 PolarHBondContact O-N 2.91Å; Q1036-C1040 PolarHBondContact O-SG 3.26Å; Q1036-L1049 HydrophobicContact CB-CD1 3.86Å; Q1036-L1049 HydrophobicContact CB-CD2 3.93Å |
| 1037 | L | 77.2 | Confident | 75.3 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 177 | -175.2 | 72.2 | 0 | 0 | 0 | 111.4 | L1033 L1034 I1046 L1049 L1053 P1134 | L1033-L1037 PolarHBondContact O-N 3.16Å; L1033-L1037 VanDerWaalsContact O-N 3.07Å; L1034-L1037 WeakPolarHBondContact O-CB 3.3Å; L1034-L1037 PolarHBondContact O-N 3.48Å; L1034-L1037 VanDerWaalsContact O-N 3.17Å; L1037-I1046 HydrophobicContact CD1-CG2 4.09Å; L1037-L1049 HydrophobicContact CD1-CB 4.44Å; L1037-L1053 HydrophobicContact CB-CD1 4.42Å; L1037-L1053 HydrophobicContact CD2-CD1 4.38Å; L1037-P1134 HydrophobicContact CD2-CB 4.18Å; L1037-P1134 HydrophobicContact CG-CB 3.99Å; L1037-P1134 HydrophobicContact CG-CG 4.47Å |
| 1038 | L | 73.7 | Confident | 75.1 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 12% | 0.115 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.1 | -28.4 | 179.7 | -66.7 | 168 | 0 | 0 | 0 | 113.4 | L1034 H1035 Q1036 V1117 | L1034-L1038 HydrophobicContact CD1-CD1 4.11Å; L1034-L1038 HydrophobicContact CD1-CG 4.29Å; L1034-L1038 HydrophobicContact CG-CD1 4.09Å; L1034-L1038 VanDerWaalsContact O-CG 3.31Å; L1034-L1038 WeakPolarHBondContact O-CG 3.03Å; L1034-L1038 PolarHBondContact O-N 2.9Å; H1035-L1038 PolarHBondContact O-N 3.49Å; Q1036-L1038 VanDerWaalsContact C-N 3.25Å; Q1036-L1038 PolarHBondContact O-N 3.03Å; L1038-V1117 HydrophobicContact CD1-CB 4.41Å; L1038-V1117 HydrophobicContact CD1-CG1 4.47Å; L1038-V1117 HydrophobicContact CD1-CG2 3.66Å; L1038-V1117 HydrophobicContact CD2-CB 4.41Å; L1038-V1117 HydrophobicContact CD2-CG1 4.31Å; L1038-V1117 HydrophobicContact CD2-CG2 4.48Å |
| 1039 | Q | 73.5 | Confident | 75.1 | Confident | 15 Ų | 15 | 24.5 Ų | 24.5 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -96.4 | -27.1 | -176.7 | -67.3 | -68.1 | -18 | 0 | 0 | 113.8 | L885 C890 K908 H1035 Q1036 | L885-Q1039 HydrophobicContact CD2-CB 4.15Å; C890-Q1039 HydrophobicContact CB-CB 4.32Å; K908-Q1039 PolarHBondContact O-NE2 3.38Å; H1035-Q1039 WeakPolarHBondContact O-CB 3.42Å; H1035-Q1039 VanDerWaalsContact O-CG 3.28Å; H1035-Q1039 WeakPolarHBondContact O-CG 3.17Å; H1035-Q1039 PolarHBondContact O-N 3.19Å; Q1036-Q1039 PolarHBondContact O-N 2.78Å |
| 1040 | C | 70.7 | Confident | 74.7 | Confident | 8 Ų | 8 | 26 Ų | 26 | 5% | 0.054 | 13% | 0.131 | C | C | . | . | trans | -78.5 | 144.2 | -174.9 | -71.4 | 0 | 0 | 0 | 0 | 113.3 | Q1036 I1046 L1049 | Q1036-C1040 WeakPolarHBondContact O-CB 3.38Å; Q1036-C1040 PolarHBondContact O-N 2.91Å; Q1036-C1040 PolarHBondContact O-SG 3.26Å; C1040-I1046 HydrophobicContact CB-CG1 4.35Å; C1040-L1049 HydrophobicContact CB-CD1 4.26Å | ||
| 1041 | R | 64.9 | Low | 74.6 | Confident | 67 Ų | 67 | 29 Ų | 29 | 25% | 0.253 | 15% | 0.151 | S | C | . | . | trans | -112.1 | -21.3 | 173.7 | -65.5 | -177.8 | 178.3 | -114.6 | -3.9 | 114.4 | A910 C911 K1043 | A910-R1041 HydrophobicContact CB-CG 4.4Å; A910-R1041 PolarHBondContact O-NH2 2.79Å; C911-R1041 VanDerWaalsContact O-CZ 3.28Å; C911-R1041 PolarHBondContact O-NE 3.04Å; C911-R1041 VanDerWaalsContact O-NE 3.1Å; C911-R1041 PolarHBondContact O-NH2 3.46Å; R1041-K1043 PolarHBondContact O-N 2.85Å | ||
| 1042 | H | 67 | Low | 74.9 | Confident | 78 Ų | 78 | 29.1 Ų | 29.1 | 36% | 0.361 | 15% | 0.153 | S | C | . | . | trans | -71.5 | 116.4 | -175.1 | 179.5 | -106.8 | 0 | 0 | 0 | 110.3 | W991 G1044 T1045 I1046 | W991-H1042 HydrophobicContact CD2-CB 4.19Å; W991-H1042 HydrophobicContact CG-CB 4.48Å; W991-H1042 HydrophobicContact CZ2-CB 4.36Å; H1042-G1044 VanDerWaalsContact C-N 3.28Å; H1042-G1044 PolarHBondContact O-N 2.79Å; H1042-T1045 PolarHBondContact ND1-N 2.78Å; H1042-T1045 VanDerWaalsContact ND1-N 3.14Å; H1042-T1045 PolarHBondContact ND1-OG1 3Å; H1042-T1045 WeakPolarHBondContact O-CA 3.35Å; H1042-T1045 WeakPolarHBondContact O-CB 3.43Å; H1042-T1045 PolarHBondContact O-N 3.34Å; H1042-I1046 PolarHBondContact O-N 3.34Å | ||
| 1043 | K | 65.5 | Low | 74.8 | Confident | 158 Ų | 158 | 29 Ų | 29 | 69% | 0.687 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -53 | -43.8 | -176.1 | -174.7 | -179.7 | 178.3 | -178 | 0 | 112.4 | R1041 T1045 I1046 E1047 | R1041-K1043 PolarHBondContact O-N 2.85Å; K1043-T1045 VanDerWaalsContact C-N 3.29Å; K1043-T1045 PolarHBondContact O-N 2.71Å; K1043-I1046 PolarHBondContact O-N 3.2Å; K1043-E1047 HydrophobicContact CG-CG 4.46Å; K1043-E1047 WeakPolarHBondContact O-CG 3.15Å; K1043-E1047 PolarHBondContact O-N 3.39Å |
| 1044 | G | 59.1 | Low | 74.6 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64 | -32.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1042 A1048 | H1042-G1044 VanDerWaalsContact C-N 3.28Å; H1042-G1044 PolarHBondContact O-N 2.79Å; G1044-A1048 WeakPolarHBondContact O-CB 3.21Å; G1044-A1048 PolarHBondContact O-N 3.4Å |
| 1045 | T | 68.2 | Low | 74.8 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -76 | -40.1 | 175.7 | -48 | 0 | 0 | 0 | 0 | 110.3 | H1042 K1043 E1047 A1048 L1049 | H1042-T1045 PolarHBondContact ND1-N 2.78Å; H1042-T1045 VanDerWaalsContact ND1-N 3.14Å; H1042-T1045 PolarHBondContact ND1-OG1 3Å; H1042-T1045 WeakPolarHBondContact O-CA 3.35Å; H1042-T1045 WeakPolarHBondContact O-CB 3.43Å; H1042-T1045 PolarHBondContact O-N 3.34Å; K1043-T1045 VanDerWaalsContact C-N 3.29Å; K1043-T1045 PolarHBondContact O-N 2.71Å; T1045-E1047 PolarHBondContact O-N 3.46Å; T1045-A1048 PolarHBondContact O-N 3.32Å; T1045-L1049 HydrophobicContact CG2-CD1 3.93Å; T1045-L1049 HydrophobicContact CG2-CG 4.27Å; T1045-L1049 VanDerWaalsContact O-CB 3.27Å; T1045-L1049 WeakPolarHBondContact O-CB 3.17Å; T1045-L1049 WeakPolarHBondContact O-CG 3.37Å; T1045-L1049 PolarHBondContact O-N 3.13Å |
| 1046 | I | 70.1 | Confident | 75.2 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 175.4 | -68 | 162.2 | 0 | 0 | 0 | 111.3 | L1037 C1040 H1042 K1043 L1049 Y1050 I1133 | L1037-I1046 HydrophobicContact CD1-CG2 4.09Å; C1040-I1046 HydrophobicContact CB-CG1 4.35Å; H1042-I1046 PolarHBondContact O-N 3.34Å; K1043-I1046 PolarHBondContact O-N 3.2Å; I1046-L1049 PolarHBondContact O-N 3.28Å; I1046-Y1050 VanDerWaalsContact O-CB 3.26Å; I1046-Y1050 WeakPolarHBondContact O-CB 3.47Å; I1046-Y1050 PolarHBondContact O-N 3.48Å; I1046-I1133 HydrophobicContact CG2-CG2 4.08Å |
| 1047 | E | 68.6 | Low | 75.2 | Confident | 66 Ų | 66 | 32 Ų | 32 | 31% | 0.308 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.5 | -38 | 178.4 | -67.6 | -66.2 | 158.5 | 0 | 0 | 112.1 | K1043 T1045 S1051 R1137 | K1043-E1047 HydrophobicContact CG-CG 4.46Å; K1043-E1047 WeakPolarHBondContact O-CG 3.15Å; K1043-E1047 PolarHBondContact O-N 3.39Å; T1045-E1047 PolarHBondContact O-N 3.46Å; E1047-S1051 PolarHBondContact O-N 3.29Å; E1047-S1051 PolarHBondContact O-OG 3.48Å; E1047-R1137 IonicContact OE1-CZ 3.74Å; E1047-R1137 IonicContact OE1-NE 3.49Å; E1047-R1137 IonicContact OE1-NH2 3.21Å; E1047-R1137 PolarHBondContact OE1-NH2 3.22Å; E1047-R1137 IonicContact OE2-CZ 2.6Å; E1047-R1137 IonicContact OE2-NH2 3.97Å; E1047-R1137 PolarHBondContact OE2-NH2 3.45Å |
| 1048 | A | 70.7 | Confident | 75.2 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.2 | -46.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K995 G1044 T1045 Y1050 S1051 N1052 | K995-A1048 HydrophobicContact CD-CB 4.26Å; K995-A1048 HydrophobicContact CG-CB 3.82Å; G1044-A1048 WeakPolarHBondContact O-CB 3.21Å; G1044-A1048 PolarHBondContact O-N 3.4Å; T1045-A1048 PolarHBondContact O-N 3.32Å; A1048-Y1050 PolarHBondContact O-N 2.81Å; A1048-S1051 WeakPolarHBondContact O-CB 3.42Å; A1048-S1051 PolarHBondContact O-N 3.48Å; A1048-N1052 VanDerWaalsContact O-CG 3.23Å; A1048-N1052 PolarHBondContact O-N 2.82Å; A1048-N1052 PolarHBondContact O-ND2 2.89Å |
| 1049 | L | 81.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 176.3 | -75.4 | 169.2 | 0 | 0 | 0 | 111.3 | S998 L1033 Q1036 L1037 C1040 T1045 I1046 S1051 N1052 L1053 | S998-L1049 VanDerWaalsContact CB-CD2 3.45Å; S998-L1049 WeakPolarHBondContact OG-CD2 2.88Å; L1033-L1049 HydrophobicContact CD2-CD2 4.37Å; Q1036-L1049 HydrophobicContact CB-CD1 3.86Å; Q1036-L1049 HydrophobicContact CB-CD2 3.93Å; L1037-L1049 HydrophobicContact CD1-CB 4.44Å; C1040-L1049 HydrophobicContact CB-CD1 4.26Å; T1045-L1049 HydrophobicContact CG2-CD1 3.93Å; T1045-L1049 HydrophobicContact CG2-CG 4.27Å; T1045-L1049 VanDerWaalsContact O-CB 3.27Å; T1045-L1049 WeakPolarHBondContact O-CB 3.17Å; T1045-L1049 WeakPolarHBondContact O-CG 3.37Å; T1045-L1049 PolarHBondContact O-N 3.13Å; I1046-L1049 PolarHBondContact O-N 3.28Å; L1049-S1051 VanDerWaalsContact C-N 3.29Å; L1049-S1051 PolarHBondContact O-N 2.93Å; L1049-N1052 PolarHBondContact O-N 3.4Å; L1049-N1052 VanDerWaalsContact O-N 3.17Å; L1049-L1053 VanDerWaalsContact O-CB 3.27Å; L1049-L1053 WeakPolarHBondContact O-CB 3.29Å; L1049-L1053 PolarHBondContact O-N 3.45Å |
| 1050 | Y | 79.1 | Confident | 75.5 | Confident | 32 Ų | 32 | 35 Ų | 35 | 13% | 0.125 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.6 | -44.9 | 175.5 | 172.4 | -101.5 | 0 | 0 | 0 | 112 | I1046 A1048 L1053 L1054 R1137 L1141 | I1046-Y1050 VanDerWaalsContact O-CB 3.26Å; I1046-Y1050 WeakPolarHBondContact O-CB 3.47Å; I1046-Y1050 PolarHBondContact O-N 3.48Å; A1048-Y1050 PolarHBondContact O-N 2.81Å; Y1050-L1053 PolarHBondContact O-N 2.98Å; Y1050-L1054 WeakPolarHBondContact O-CB 3.32Å; Y1050-L1054 PolarHBondContact O-N 3.32Å; Y1050-R1137 HydrophobicContact CD2-CB 3.67Å; Y1050-R1137 HydrophobicContact CD2-CG 4.04Å; Y1050-R1137 HydrophobicContact CE2-CB 3.88Å; Y1050-R1137 HydrophobicContact CE2-CG 4.29Å; Y1050-L1141 HydrophobicContact CD2-CD1 4.04Å; Y1050-L1141 HydrophobicContact CD2-CD2 3.72Å; Y1050-L1141 HydrophobicContact CD2-CG 3.83Å; Y1050-L1141 HydrophobicContact CE2-CD1 4.19Å; Y1050-L1141 HydrophobicContact CE2-CD2 3.34Å; Y1050-L1141 HydrophobicContact CE2-CG 3.47Å; Y1050-L1141 VanDerWaalsContact CE2-CG 3.47Å |
| 1051 | S | 79.8 | Confident | 75.4 | Confident | 67 Ų | 67 | 35.8 Ų | 35.8 | 47% | 0.469 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66 | -40.7 | 178.7 | -54.1 | 0 | 0 | 0 | 0 | 112 | E1047 A1048 L1049 L1055 | E1047-S1051 PolarHBondContact O-N 3.29Å; E1047-S1051 PolarHBondContact O-OG 3.48Å; A1048-S1051 WeakPolarHBondContact O-CB 3.42Å; A1048-S1051 PolarHBondContact O-N 3.48Å; L1049-S1051 VanDerWaalsContact C-N 3.29Å; L1049-S1051 PolarHBondContact O-N 2.93Å; S1051-L1055 PolarHBondContact O-N 3.35Å; S1051-L1055 VanDerWaalsContact O-N 3.12Å |
| 1052 | N | 87.3 | Confident | 75.5 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.7 | -38.2 | 177.2 | -64.5 | -27 | 0 | 0 | 0 | 111.9 | S998 S999 A1002 A1048 L1049 L1055 Y1056 | S998-N1052 PolarHBondContact OG-ND2 3.17Å; S999-N1052 VanDerWaalsContact CA-CG 3.48Å; S999-N1052 VanDerWaalsContact CA-ND2 3.33Å; S999-N1052 WeakPolarHBondContact CA-ND2 3.22Å; S999-N1052 WeakPolarHBondContact CA-OD1 3.37Å; S999-N1052 WeakPolarHBondContact CB-ND2 3.43Å; S999-N1052 WeakPolarHBondContact CB-OD1 3.21Å; S999-N1052 PolarHBondContact N-ND2 2.81Å; S999-N1052 VanDerWaalsContact N-ND2 3.16Å; S999-N1052 PolarHBondContact OG-OD1 2.98Å; A1002-N1052 HydrophobicContact CB-CB 3.91Å; A1002-N1052 WeakPolarHBondContact CB-O 3.13Å; A1048-N1052 VanDerWaalsContact O-CG 3.23Å; A1048-N1052 PolarHBondContact O-N 2.82Å; A1048-N1052 PolarHBondContact O-ND2 2.89Å; L1049-N1052 PolarHBondContact O-N 3.4Å; L1049-N1052 VanDerWaalsContact O-N 3.17Å; N1052-L1055 PolarHBondContact O-N 2.96Å; N1052-Y1056 PolarHBondContact O-N 3.22Å |
| 1053 | L | 85 | Confident | 75.3 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | 178.5 | -141.4 | 138.5 | 0 | 0 | 0 | 111.2 | L1033 L1037 L1049 Y1050 Y1056 L1057 M1110 L1141 | L1033-L1053 HydrophobicContact CB-CD1 3.74Å; L1033-L1053 HydrophobicContact CB-CG 4.22Å; L1033-L1053 WeakPolarHBondContact O-CD1 3.22Å; L1037-L1053 HydrophobicContact CB-CD1 4.42Å; L1037-L1053 HydrophobicContact CD2-CD1 4.38Å; L1049-L1053 VanDerWaalsContact O-CB 3.27Å; L1049-L1053 WeakPolarHBondContact O-CB 3.29Å; L1049-L1053 PolarHBondContact O-N 3.45Å; Y1050-L1053 PolarHBondContact O-N 2.98Å; L1053-Y1056 PolarHBondContact O-N 3.22Å; L1053-L1057 HydrophobicContact CD2-CD1 3.79Å; L1053-L1057 HydrophobicContact CD2-CG 4.15Å; L1053-L1057 WeakPolarHBondContact O-CB 3.38Å; L1053-L1057 VanDerWaalsContact O-CG 3.31Å; L1053-L1057 WeakPolarHBondContact O-CG 3.32Å; L1053-L1057 PolarHBondContact O-N 3.48Å; L1053-M1110 HydrophobicContact CD2-CG 4.29Å; L1053-M1110 HydrophobicContact CD2-SD 3.2Å; L1053-M1110 WeakPolarHBondContact CD2-SD 3.13Å; L1053-L1141 HydrophobicContact CB-CD1 4.11Å; L1053-L1141 HydrophobicContact CD2-CD1 3.53Å; L1053-L1141 HydrophobicContact CG-CD1 4.42Å |
| 1054 | L | 83.6 | Confident | 75.1 | Confident | 37 Ų | 37 | 34.5 Ų | 34.5 | 19% | 0.194 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -50 | 169.9 | -177.5 | 58.8 | 0 | 0 | 0 | 111.6 | Y1050 Y1056 L1057 Q1058 L1141 S1144 | Y1050-L1054 WeakPolarHBondContact O-CB 3.32Å; Y1050-L1054 PolarHBondContact O-N 3.32Å; L1054-Y1056 VanDerWaalsContact C-N 3.3Å; L1054-Y1056 PolarHBondContact O-N 2.77Å; L1054-L1057 PolarHBondContact O-N 3.42Å; L1054-Q1058 HydrophobicContact CD1-CG 3.97Å; L1054-Q1058 HydrophobicContact CG-CG 4.38Å; L1054-Q1058 WeakPolarHBondContact O-CB 3.21Å; L1054-Q1058 WeakPolarHBondContact O-CG 3.46Å; L1054-Q1058 PolarHBondContact O-N 2.91Å; L1054-L1141 HydrophobicContact CB-CD2 3.44Å; L1054-L1141 VanDerWaalsContact CB-CD2 3.44Å; L1054-L1141 HydrophobicContact CD1-CD2 3.63Å; L1054-L1141 HydrophobicContact CG-CD2 4.04Å; L1054-S1144 WeakPolarHBondContact CD1-OG 3.4Å |
| 1055 | L | 83.8 | Confident | 74.7 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 177.9 | 176.6 | 62.9 | 0 | 0 | 0 | 111.3 | L844 A1002 N1003 A1006 S1051 N1052 T1059 | L844-L1055 HydrophobicContact CD2-CD1 4Å; L844-L1055 HydrophobicContact CD2-CD2 3.9Å; A1002-L1055 HydrophobicContact CB-CD2 4.33Å; N1003-L1055 WeakPolarHBondContact OD1-CD2 3.4Å; A1006-L1055 HydrophobicContact CB-CD1 4.05Å; A1006-L1055 HydrophobicContact CB-CD2 4.33Å; A1006-L1055 HydrophobicContact CB-CG 4.15Å; S1051-L1055 PolarHBondContact O-N 3.35Å; S1051-L1055 VanDerWaalsContact O-N 3.12Å; N1052-L1055 PolarHBondContact O-N 2.96Å; L1055-T1059 WeakPolarHBondContact O-CB 3.3Å; L1055-T1059 PolarHBondContact O-N 3.4Å; L1055-T1059 PolarHBondContact O-OG1 3.17Å |
| 1056 | Y | 87.3 | Confident | 73.7 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -54 | 175.6 | 172.2 | -91.5 | 0 | 0 | 0 | 111.6 | F1005 A1026 I1029 G1030 L1033 N1052 L1053 L1054 Q1058 T1059 V1060 I1105 | F1005-Y1056 AromaticContact CD1-CD2 3.51Å; F1005-Y1056 HydrophobicContact CD1-CD2 3.51Å; F1005-Y1056 AromaticContact CD1-CE2 3.86Å; F1005-Y1056 HydrophobicContact CD1-CE2 3.86Å; F1005-Y1056 HydrophobicContact CD1-CG 4.44Å; F1005-Y1056 AromaticContact CE1-CD2 3.81Å; F1005-Y1056 HydrophobicContact CE1-CD2 3.81Å; F1005-Y1056 AromaticContact CE1-CE2 3.81Å; F1005-Y1056 HydrophobicContact CE1-CE2 3.81Å; F1005-Y1056 HydrophobicContact CG-CD2 4.14Å; F1005-Y1056 HydrophobicContact CG-CE2 4.31Å; F1005-Y1056 HydrophobicContact CZ-CE2 4.24Å; A1026-Y1056 PolarHBondContact O-OH 2.81Å; I1029-Y1056 HydrophobicContact CB-CE2 4.3Å; I1029-Y1056 HydrophobicContact CG2-CD2 3.87Å; I1029-Y1056 HydrophobicContact CG2-CE2 3.98Å; G1030-Y1056 VanDerWaalsContact CA-CZ 3.43Å; G1030-Y1056 WeakPolarHBondContact CA-OH 3.46Å; L1033-Y1056 HydrophobicContact CD1-CD2 4.45Å; L1033-Y1056 HydrophobicContact CD1-CG 4.25Å; N1052-Y1056 PolarHBondContact O-N 3.22Å; L1053-Y1056 PolarHBondContact O-N 3.22Å; L1054-Y1056 VanDerWaalsContact C-N 3.3Å; L1054-Y1056 PolarHBondContact O-N 2.77Å; Y1056-Q1058 PolarHBondContact O-N 3.13Å; Y1056-T1059 WeakPolarHBondContact O-CB 3.21Å; Y1056-T1059 PolarHBondContact O-N 3.13Å; Y1056-T1059 VanDerWaalsContact O-N 3.1Å; Y1056-V1060 HydrophobicContact CD1-CG2 4.22Å; Y1056-V1060 HydrophobicContact CE1-CG2 3.77Å; Y1056-V1060 HydrophobicContact CE2-CG2 4.17Å; Y1056-V1060 WeakPolarHBondContact O-CG2 3.14Å; Y1056-V1060 PolarHBondContact O-N 2.82Å; Y1056-I1105 HydrophobicContact CE1-CB 4.24Å; Y1056-I1105 WeakPolarHBondContact CE1-O 3.32Å; Y1056-I1105 PolarHBondContact OH-N 3.46Å; Y1056-I1105 VanDerWaalsContact OH-N 3.14Å |
| 1057 | L | 81.8 | Confident | 72.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | -176.2 | -71.1 | 176.4 | 0 | 0 | 0 | 112.4 | L1053 L1054 T1059 V1060 E1061 I1105 A1107 M1110 L1141 | L1053-L1057 HydrophobicContact CD2-CD1 3.79Å; L1053-L1057 HydrophobicContact CD2-CG 4.15Å; L1053-L1057 WeakPolarHBondContact O-CB 3.38Å; L1053-L1057 VanDerWaalsContact O-CG 3.31Å; L1053-L1057 WeakPolarHBondContact O-CG 3.32Å; L1053-L1057 PolarHBondContact O-N 3.48Å; L1054-L1057 PolarHBondContact O-N 3.42Å; L1057-T1059 PolarHBondContact O-N 3.47Å; L1057-V1060 PolarHBondContact O-N 3.35Å; L1057-V1060 VanDerWaalsContact O-N 3.16Å; L1057-E1061 PolarHBondContact O-N 3.46Å; L1057-I1105 WeakPolarHBondContact CD2-O 3.48Å; L1057-A1107 HydrophobicContact CD1-CB 4.24Å; L1057-A1107 HydrophobicContact CD2-CB 4.28Å; L1057-M1110 HydrophobicContact CD1-CE 3.86Å; L1057-M1110 HydrophobicContact CD1-SD 3.89Å; L1057-L1141 HydrophobicContact CD1-CB 3.91Å; L1057-L1141 HydrophobicContact CD1-CD1 4.1Å |
| 1058 | Q | 78.8 | Confident | 70.7 | Confident | 75 Ų | 75 | 43.7 Ų | 43.7 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -35.7 | 175 | -73.1 | -179.5 | -19.6 | 0 | 0 | 111.8 | L1054 Y1056 N1062 | L1054-Q1058 HydrophobicContact CD1-CG 3.97Å; L1054-Q1058 HydrophobicContact CG-CG 4.38Å; L1054-Q1058 WeakPolarHBondContact O-CB 3.21Å; L1054-Q1058 WeakPolarHBondContact O-CG 3.46Å; L1054-Q1058 PolarHBondContact O-N 2.91Å; Y1056-Q1058 PolarHBondContact O-N 3.13Å; Q1058-N1062 VanDerWaalsContact O-CB 3.3Å; Q1058-N1062 WeakPolarHBondContact O-CB 3.49Å; Q1058-N1062 VanDerWaalsContact O-CG 3.22Å; Q1058-N1062 PolarHBondContact O-N 2.67Å; Q1058-N1062 VanDerWaalsContact O-N 3.1Å; Q1058-N1062 PolarHBondContact O-ND2 3.29Å |
| 1059 | T | 77.2 | Confident | 68.8 | Low | 19 Ų | 19 | 46.7 Ų | 46.7 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | F1005 A1006 C1009 L1055 Y1056 L1057 E1061 H1063 | F1005-T1059 HydrophobicContact CD1-CG2 3.87Å; F1005-T1059 HydrophobicContact CE1-CG2 3.69Å; A1006-T1059 HydrophobicContact CB-CG2 4.36Å; C1009-T1059 HydrophobicContact CB-CG2 3.38Å; C1009-T1059 VanDerWaalsContact SG-CG2 3.6Å; L1055-T1059 WeakPolarHBondContact O-CB 3.3Å; L1055-T1059 PolarHBondContact O-N 3.4Å; L1055-T1059 PolarHBondContact O-OG1 3.17Å; Y1056-T1059 WeakPolarHBondContact O-CB 3.21Å; Y1056-T1059 PolarHBondContact O-N 3.13Å; Y1056-T1059 VanDerWaalsContact O-N 3.1Å; L1057-T1059 PolarHBondContact O-N 3.47Å; T1059-E1061 PolarHBondContact O-N 3.24Å; T1059-H1063 WeakPolarHBondContact O-CB 3.45Å; T1059-H1063 PolarHBondContact O-N 3.06Å |
| 1060 | V | 75.6 | Confident | 66.3 | Low | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -49.2 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | F1005 Y1056 L1057 H1063 Q1064 A1104 | F1005-V1060 HydrophobicContact CE1-CG2 3.64Å; F1005-V1060 HydrophobicContact CZ-CG2 3.9Å; Y1056-V1060 HydrophobicContact CD1-CG2 4.22Å; Y1056-V1060 HydrophobicContact CE1-CG2 3.77Å; Y1056-V1060 HydrophobicContact CE2-CG2 4.17Å; Y1056-V1060 WeakPolarHBondContact O-CG2 3.14Å; Y1056-V1060 PolarHBondContact O-N 2.82Å; L1057-V1060 PolarHBondContact O-N 3.35Å; L1057-V1060 VanDerWaalsContact O-N 3.16Å; V1060-H1063 PolarHBondContact O-N 3.27Å; V1060-Q1064 HydrophobicContact CG1-CG 4.4Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.23Å; V1060-Q1064 PolarHBondContact O-N 2.92Å; V1060-A1104 HydrophobicContact CG1-CB 3.91Å; V1060-A1104 HydrophobicContact CG2-CB 3.82Å |
| 1061 | E | 69.5 | Low | 63.8 | Low | 25 Ų | 25 | 54.9 Ų | 54.9 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | -177.1 | -75.2 | -176.7 | -158.7 | 0 | 0 | 112.8 | L1057 T1059 H1063 Q1064 L1065 A1107 C1145 | L1057-E1061 PolarHBondContact O-N 3.46Å; T1059-E1061 PolarHBondContact O-N 3.24Å; E1061-H1063 PolarHBondContact O-N 3.14Å; E1061-Q1064 PolarHBondContact O-N 3.2Å; E1061-L1065 WeakPolarHBondContact O-CB 3.38Å; E1061-L1065 WeakPolarHBondContact O-CG 3.26Å; E1061-L1065 PolarHBondContact O-N 3.41Å; E1061-A1107 WeakPolarHBondContact OE1-CB 2.99Å; E1061-C1145 WeakPolarHBondContact OE1-CB 3.44Å; E1061-C1145 WeakPolarHBondContact OE2-CA 3.38Å; E1061-C1145 WeakPolarHBondContact OE2-CB 3.39Å; E1061-C1145 VanDerWaalsContact OE2-O 3.13Å |
| 1062 | N | 66.8 | Low | 61.4 | Low | 111 Ų | 111 | 60.8 Ų | 60.8 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.5 | -37.4 | 175.4 | -76.7 | -40.5 | 0 | 0 | 0 | 111.8 | Q1058 A1066 | Q1058-N1062 VanDerWaalsContact O-CB 3.3Å; Q1058-N1062 WeakPolarHBondContact O-CB 3.49Å; Q1058-N1062 VanDerWaalsContact O-CG 3.22Å; Q1058-N1062 PolarHBondContact O-N 2.67Å; Q1058-N1062 VanDerWaalsContact O-N 3.1Å; Q1058-N1062 PolarHBondContact O-ND2 3.29Å; N1062-A1066 WeakPolarHBondContact O-CB 3.07Å; N1062-A1066 PolarHBondContact O-N 3.05Å; N1062-A1066 VanDerWaalsContact O-N 3.07Å |
| 1063 | H | 63.1 | Low | 58.7 | Low | 76 Ų | 76 | 66.2 Ų | 66.2 | 35% | 0.352 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -75.7 | -35.4 | 179.7 | -157.6 | -58.2 | 0 | 0 | 0 | 112.7 | C1009 T1059 V1060 E1061 A1066 S1067 | C1009-H1063 PolarHBondContact O-CD2 3.12Å; C1009-H1063 VanDerWaalsContact SG-CD2 3.54Å; T1059-H1063 WeakPolarHBondContact O-CB 3.45Å; T1059-H1063 PolarHBondContact O-N 3.06Å; V1060-H1063 PolarHBondContact O-N 3.27Å; E1061-H1063 PolarHBondContact O-N 3.14Å; H1063-A1066 PolarHBondContact O-N 3.3Å; H1063-S1067 PolarHBondContact O-N 3.22Å; H1063-S1067 VanDerWaalsContact O-N 3.1Å; H1063-S1067 PolarHBondContact O-OG 3.43Å |
| 1064 | Q | 60.8 | Low | 55.9 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 172.6 | -75.8 | -179.3 | -4.9 | 0 | 0 | 110.9 | V1060 E1061 A1066 S1067 C1068 | V1060-Q1064 HydrophobicContact CG1-CG 4.4Å; V1060-Q1064 WeakPolarHBondContact O-CG 3.23Å; V1060-Q1064 PolarHBondContact O-N 2.92Å; E1061-Q1064 PolarHBondContact O-N 3.2Å; Q1064-A1066 VanDerWaalsContact C-N 3.34Å; Q1064-A1066 PolarHBondContact O-N 3.4Å; Q1064-S1067 PolarHBondContact O-N 3.17Å; Q1064-S1067 PolarHBondContact O-OG 3.07Å; Q1064-C1068 PolarHBondContact O-N 3.3Å |
| 1065 | L | 50.8 | Low | 53.3 | Low | 118 Ų | 118 | 77 Ų | 77 | 62% | 0.618 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 175.1 | -77.2 | 164 | 0 | 0 | 0 | 112.5 | E1061 S1067 C1068 S1069 | E1061-L1065 WeakPolarHBondContact O-CB 3.38Å; E1061-L1065 WeakPolarHBondContact O-CG 3.26Å; E1061-L1065 PolarHBondContact O-N 3.41Å; L1065-S1067 PolarHBondContact O-N 3.1Å; L1065-C1068 PolarHBondContact O-N 3.07Å; L1065-S1069 PolarHBondContact O-N 3.26Å; L1065-S1069 VanDerWaalsContact O-N 3.12Å |
| 1066 | A | 47.6 | Very low | 50.7 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1062 H1063 Q1064 C1068 S1069 | N1062-A1066 WeakPolarHBondContact O-CB 3.07Å; N1062-A1066 PolarHBondContact O-N 3.05Å; N1062-A1066 VanDerWaalsContact O-N 3.07Å; H1063-A1066 PolarHBondContact O-N 3.3Å; Q1064-A1066 VanDerWaalsContact C-N 3.34Å; Q1064-A1066 PolarHBondContact O-N 3.4Å; A1066-C1068 PolarHBondContact O-N 3.32Å; A1066-S1069 PolarHBondContact O-N 3.16Å; A1066-S1069 PolarHBondContact O-OG 2.83Å |
| 1067 | S | 43.5 | Very low | 48 | Very low | 57 Ų | 57 | 88.5 Ų | 88.5 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69 | -29.7 | 177.1 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | H1063 Q1064 L1065 S1069 S1070 | H1063-S1067 PolarHBondContact O-N 3.22Å; H1063-S1067 VanDerWaalsContact O-N 3.1Å; H1063-S1067 PolarHBondContact O-OG 3.43Å; Q1064-S1067 PolarHBondContact O-N 3.17Å; Q1064-S1067 PolarHBondContact O-OG 3.07Å; L1065-S1067 PolarHBondContact O-N 3.1Å; S1067-S1069 VanDerWaalsContact C-N 3.34Å; S1067-S1070 PolarHBondContact O-OG 3.36Å |
| 1068 | C | 31.6 | Very low | 45.3 | Very low | 79 Ų | 79 | 92.3 Ų | 92.3 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.1 | -27.3 | 173.8 | -79.3 | 0 | 0 | 0 | 0 | 112.6 | Q1064 L1065 A1066 S1070 L1071 | Q1064-C1068 PolarHBondContact O-N 3.3Å; L1065-C1068 PolarHBondContact O-N 3.07Å; A1066-C1068 PolarHBondContact O-N 3.32Å; C1068-S1070 PolarHBondContact O-N 2.99Å; C1068-L1071 PolarHBondContact O-N 3.22Å |
| 1069 | S | 30.2 | Very low | 42.8 | Very low | 81 Ų | 81 | 95.7 Ų | 95.7 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -26.1 | 177.7 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | L1065 A1066 S1067 | L1065-S1069 PolarHBondContact O-N 3.26Å; L1065-S1069 VanDerWaalsContact O-N 3.12Å; A1066-S1069 PolarHBondContact O-N 3.16Å; A1066-S1069 PolarHBondContact O-OG 2.83Å; S1067-S1069 VanDerWaalsContact C-N 3.34Å |
| 1070 | S | 29.3 | Very low | 40.3 | Very low | 98 Ų | 98 | 102.5 Ų | 102.5 | 69% | 0.685 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -11.7 | 170.9 | 41.3 | 0 | 0 | 0 | 0 | 114.9 | S1067 C1068 | S1067-S1070 PolarHBondContact O-OG 3.36Å; C1068-S1070 PolarHBondContact O-N 2.99Å |
| 1071 | L | 26.1 | Very low | 38 | Very low | 106 Ų | 106 | 106.3 Ų | 106.3 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 29.3 | -177.3 | -87.9 | 153.2 | 0 | 0 | 0 | 113.3 | C1068 T1073 C1074 | C1068-L1071 PolarHBondContact O-N 3.22Å; L1071-T1073 PolarHBondContact O-N 3.12Å; L1071-C1074 PolarHBondContact O-N 3.29Å |
| 1072 | K | 30.2 | Very low | 35.9 | Very low | 191 Ų | 191 | 110.6 Ų | 110.6 | 83% | 0.83 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 6.1 | 175.2 | -94.8 | -176.1 | 175.5 | -179.7 | 0 | 115.9 | ||
| 1073 | T | 29.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 110.4 Ų | 110.4 | 78% | 0.779 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -3.1 | 178.6 | 52 | 0 | 0 | 0 | 0 | 114.9 | L1071 K1075 | L1071-T1073 PolarHBondContact O-N 3.12Å; T1073-K1075 PolarHBondContact O-N 3.05Å |
| 1074 | C | 26.1 | Very low | 32.5 | Very low | 85 Ų | 85 | 114 Ų | 114 | 57% | 0.574 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -92.2 | 101.8 | 171.1 | -72.5 | 0 | 0 | 0 | 0 | 109.5 | L1071 | L1071-C1074 PolarHBondContact O-N 3.29Š|
| 1075 | K | 29.1 | Very low | 31 | Very low | 182 Ų | 182 | 119.1 Ų | 119.1 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -40.7 | 144.7 | 169.9 | -72.5 | 176 | 173 | 178.8 | 0 | 111.4 | T1073 D1077 A1078 | T1073-K1075 PolarHBondContact O-N 3.05Å; K1075-D1077 PolarHBondContact O-N 3.27Å; K1075-A1078 PolarHBondContact O-N 3.34Å | ||
| 1076 | D | 30.2 | Very low | 30.1 | Very low | 145 Ų | 145 | 117 Ų | 117 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.5 | -0.5 | -169.6 | -65.7 | -50.1 | 0 | 0 | 0 | 118.7 | ||
| 1077 | D | 29 | Very low | 29.5 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -21.1 | -179.8 | -69.8 | -38.9 | 0 | 0 | 0 | 114 | K1075 | K1075-D1077 PolarHBondContact O-N 3.27Š|
| 1078 | A | 26.4 | Very low | 29.1 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -10.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1075 | K1075-A1078 PolarHBondContact O-N 3.34Š|
| 1079 | L | 25.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 12 | 176.1 | -87.7 | 161.7 | 0 | 0 | 0 | 113.2 | P1081 | L1079-P1081 WeakPolarHBondContact O-CD 3.44Š|
| 1080 | K | 24.5 | Very low | 29.6 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 70% | 0.7 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -67.7 | 110.4 | 155.3 | -82.9 | -179.2 | 178.8 | 171 | 0 | 106.6 | S1082 | K1080-S1082 PolarHBondContact O-N 2.94Š|
| 1081 | P | 28.1 | Very low | 29.8 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 56% | 0.558 | 69% | 0.688 | S | S | * | * | trans | -59.9 | 123 | 174.1 | 3.9 | 8.4 | 0 | 0 | 0 | 105.5 | L1079 V1083 | L1079-P1081 WeakPolarHBondContact O-CD 3.44Å; P1081-V1083 HydrophobicContact CB-CB 4.01Å; P1081-V1083 HydrophobicContact CB-CG2 3.63Å; P1081-V1083 PolarHBondContact O-N 3.45Å | ||
| 1082 | S | 26 | Very low | 30.3 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -65 | 28.4 | 170.2 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | K1080 | K1080-S1082 PolarHBondContact O-N 2.94Š|
| 1083 | V | 30.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -85.6 | -8.4 | -179.3 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | P1081 | P1081-V1083 HydrophobicContact CB-CB 4.01Å; P1081-V1083 HydrophobicContact CB-CG2 3.63Å; P1081-V1083 PolarHBondContact O-N 3.45Å |
| 1084 | L | 26.8 | Very low | 31.2 | Very low | 152 Ų | 152 | 117.3 Ų | 117.3 | 80% | 0.796 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -88.9 | 7.5 | -177.4 | -81.6 | 162.6 | 0 | 0 | 0 | 115.7 | ||
| 1085 | K | 29.5 | Very low | 31.8 | Very low | 195 Ų | 195 | 116 Ų | 116 | 85% | 0.848 | 64% | 0.635 | S | S | * | * | trans | -130.7 | 78 | 170.9 | -79.5 | -173 | 175.1 | -176.7 | 0 | 110.3 | ||||
| 1086 | M | 33 | Very low | 32.4 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 37% | 0.365 | 63% | 0.629 | S | S | . | * | trans | -118.5 | 108.7 | 158.7 | -97.9 | -173.8 | 165.2 | 0 | 0 | 107.5 | S1088 D1094 Y1097 R1112 | M1086-S1088 PolarHBondContact O-N 3.48Å; M1086-D1094 HydrophobicContact CE-CB 4.44Å; M1086-D1094 WeakPolarHBondContact CE-OD1 3.19Å; M1086-Y1097 HydrophobicContact CE-CD1 3.96Å; M1086-Y1097 HydrophobicContact CE-CG 4.32Å; M1086-R1112 PolarHBondContact SD-NH2 3.14Å | ||
| 1087 | D | 33.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 114.2 Ų | 114.2 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | trans | -64.9 | 111 | 172.3 | -70.4 | -31.8 | 0 | 0 | 0 | 107.6 | I1089 | D1087-I1089 PolarHBondContact O-N 3.15Š| ||
| 1088 | S | 35.6 | Very low | 33.3 | Very low | 107 Ų | 107 | 108.3 Ų | 108.3 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 15.6 | -172.7 | 51.7 | 0 | 0 | 0 | 0 | 115.6 | M1086 | M1086-S1088 PolarHBondContact O-N 3.48Š|
| 1089 | I | 38.2 | Very low | 34.1 | Very low | 153 Ų | 153 | 105.3 Ų | 105.3 | 79% | 0.785 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -19 | -167.4 | -56.4 | 176.5 | 0 | 0 | 0 | 112.4 | D1087 | D1087-I1089 PolarHBondContact O-N 3.15Š|
| 1090 | N | 34.8 | Very low | 34.7 | Very low | 96 Ų | 96 | 101.5 Ų | 101.5 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | trans | -134.8 | 75.2 | -171.4 | -130.5 | -5.7 | 0 | 0 | 0 | 114.4 | T1092 T1093 | N1090-T1092 PolarHBondContact O-N 3.05Å; N1090-T1093 PolarHBondContact O-N 3.04Å; N1090-T1093 PolarHBondContact O-OG1 3.19Å; N1090-T1093 VanDerWaalsContact O-OG1 3.11Å | ||
| 1091 | L | 33.3 | Very low | 35.6 | Very low | 88 Ų | 88 | 95.3 Ų | 95.3 | 46% | 0.461 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -54.3 | -25.3 | -179.2 | -93.4 | 122.3 | 0 | 0 | 0 | 115 | T1093 D1094 V1095 | L1091-T1093 VanDerWaalsContact C-N 3.29Å; L1091-T1093 PolarHBondContact O-N 3.09Å; L1091-D1094 PolarHBondContact O-N 3.28Å; L1091-V1095 PolarHBondContact O-N 3.28Å |
| 1092 | T | 36.6 | Very low | 36.5 | Very low | 95 Ų | 95 | 96 Ų | 96 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.4 | -29.2 | 177.4 | 48.4 | 0 | 0 | 0 | 0 | 112.8 | N1090 | N1090-T1092 PolarHBondContact O-N 3.05Å |
| 1093 | T | 38.5 | Very low | 37.9 | Very low | 84 Ų | 84 | 91.8 Ų | 91.8 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.2 | -32.6 | 177.2 | -16.4 | 0 | 0 | 0 | 0 | 110.7 | N1090 L1091 K1096 Y1097 | N1090-T1093 PolarHBondContact O-N 3.04Å; N1090-T1093 PolarHBondContact O-OG1 3.19Å; N1090-T1093 VanDerWaalsContact O-OG1 3.11Å; L1091-T1093 VanDerWaalsContact C-N 3.29Å; L1091-T1093 PolarHBondContact O-N 3.09Å; T1093-K1096 PolarHBondContact O-N 3.39Å; T1093-Y1097 PolarHBondContact O-N 3.35Å; T1093-Y1097 VanDerWaalsContact O-N 3.08Å |
| 1094 | D | 39.1 | Very low | 39.7 | Very low | 34 Ų | 34 | 87.7 Ų | 87.7 | 18% | 0.182 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -72.3 | -34.1 | 178.8 | -75.5 | -6.8 | 0 | 0 | 0 | 113.7 | M1086 L1091 K1096 Y1097 L1098 | M1086-D1094 HydrophobicContact CE-CB 4.44Å; M1086-D1094 WeakPolarHBondContact CE-OD1 3.19Å; L1091-D1094 PolarHBondContact O-N 3.28Å; D1094-K1096 VanDerWaalsContact C-N 3.32Å; D1094-Y1097 PolarHBondContact O-N 2.94Å; D1094-L1098 PolarHBondContact O-N 3.15Å |
| 1095 | V | 39.5 | Very low | 41.9 | Very low | 57 Ų | 57 | 80.7 Ų | 80.7 | 35% | 0.345 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | L1091 Y1097 L1098 S1099 | L1091-V1095 PolarHBondContact O-N 3.28Å; V1095-Y1097 VanDerWaalsContact C-N 3.34Å; V1095-L1098 PolarHBondContact O-N 3.5Å; V1095-S1099 WeakPolarHBondContact O-CB 3.41Å; V1095-S1099 PolarHBondContact O-N 2.77Å; V1095-S1099 PolarHBondContact O-OG 2.86Å |
| 1096 | K | 41.1 | Very low | 43.9 | Very low | 154 Ų | 154 | 72.2 Ų | 72.2 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 174.2 | -113.9 | -176.3 | 178.6 | -175.4 | 0 | 112.2 | T1093 D1094 S1099 T1100 | T1093-K1096 PolarHBondContact O-N 3.39Å; D1094-K1096 VanDerWaalsContact C-N 3.32Å; K1096-S1099 WeakPolarHBondContact CA-OG 3.43Å; K1096-S1099 PolarHBondContact O-OG 3.06Å; K1096-T1100 WeakPolarHBondContact O-CB 3.25Å; K1096-T1100 WeakPolarHBondContact O-CG2 3.25Å; K1096-T1100 PolarHBondContact O-N 3.01Å; K1096-T1100 VanDerWaalsContact O-N 3.14Å; K1096-T1100 PolarHBondContact O-OG1 2.98Å |
| 1097 | Y | 40.2 | Very low | 45.7 | Very low | 135 Ų | 135 | 68.7 Ų | 68.7 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 177.8 | -170.6 | -94.5 | 0 | 0 | 0 | 112.7 | M1086 T1093 D1094 V1095 T1100 | M1086-Y1097 HydrophobicContact CE-CD1 3.96Å; M1086-Y1097 HydrophobicContact CE-CG 4.32Å; T1093-Y1097 PolarHBondContact O-N 3.35Å; T1093-Y1097 VanDerWaalsContact O-N 3.08Å; D1094-Y1097 PolarHBondContact O-N 2.94Å; V1095-Y1097 VanDerWaalsContact C-N 3.34Å; Y1097-T1100 WeakPolarHBondContact CA-OG1 3.42Å; Y1097-T1100 PolarHBondContact O-N 2.72Å; Y1097-T1100 PolarHBondContact O-OG1 2.83Å |
| 1098 | L | 39.2 | Very low | 47.4 | Very low | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.5 | -38 | 175.3 | -76.4 | 164.4 | 0 | 0 | 0 | 111.5 | Y1031 D1094 V1095 T1100 R1112 N1116 | Y1031-L1098 PolarHBondContact OH-O 2.98Å; D1094-L1098 PolarHBondContact O-N 3.15Å; V1095-L1098 PolarHBondContact O-N 3.5Å; L1098-T1100 VanDerWaalsContact C-N 3.31Å; L1098-T1100 PolarHBondContact O-N 2.96Å; L1098-R1112 HydrophobicContact CD2-CB 4.44Å; L1098-N1116 WeakPolarHBondContact CD1-ND2 3.47Å |
| 1099 | S | 42.1 | Very low | 49.1 | Very low | 18 Ų | 18 | 62 Ų | 62 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.7 | -21.3 | 177 | 69.3 | 0 | 0 | 0 | 0 | 113.9 | C901 V1095 K1096 | C901-S1099 PolarHBondContact SG-OG 3.31Å; V1095-S1099 WeakPolarHBondContact O-CB 3.41Å; V1095-S1099 PolarHBondContact O-N 2.77Å; V1095-S1099 PolarHBondContact O-OG 2.86Å; K1096-S1099 WeakPolarHBondContact CA-OG 3.43Å; K1096-S1099 PolarHBondContact O-OG 3.06Å |
| 1100 | T | 38.8 | Very low | 50.8 | Low | 66 Ų | 66 | 54.8 Ų | 54.8 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 7.5 | -178.6 | 45.8 | 0 | 0 | 0 | 0 | 114.3 | C901 K1096 Y1097 L1098 N1102 | C901-T1100 WeakPolarHBondContact SG-CG2 3.39Å; K1096-T1100 WeakPolarHBondContact O-CB 3.25Å; K1096-T1100 WeakPolarHBondContact O-CG2 3.25Å; K1096-T1100 PolarHBondContact O-N 3.01Å; K1096-T1100 VanDerWaalsContact O-N 3.14Å; K1096-T1100 PolarHBondContact O-OG1 2.98Å; Y1097-T1100 WeakPolarHBondContact CA-OG1 3.42Å; Y1097-T1100 PolarHBondContact O-N 2.72Å; Y1097-T1100 PolarHBondContact O-OG1 2.83Å; L1098-T1100 VanDerWaalsContact C-N 3.31Å; L1098-T1100 PolarHBondContact O-N 2.96Å; T1100-N1102 PolarHBondContact O-N 2.8Å; T1100-N1102 PolarHBondContact O-OD1 3.09Å |
| 1101 | C | 42.2 | Very low | 52.5 | Low | 30 Ų | 30 | 50.5 Ų | 50.5 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | trans | -69.9 | 98.8 | 173.4 | -74.9 | 0 | 0 | 0 | 0 | 110.3 | G1103 | C1101-G1103 PolarHBondContact O-N 3Š| ||
| 1102 | N | 46.6 | Very low | 54.2 | Low | 101 Ų | 101 | 50.2 Ų | 50.2 | 54% | 0.54 | 27% | 0.269 | S | S | . | . | trans | -66.9 | 26.7 | 174.1 | -73.8 | 9.8 | 0 | 0 | 0 | 114.1 | D900 T1100 | D900-N1102 PolarHBondContact OD2-ND2 3.45Å; T1100-N1102 PolarHBondContact O-N 2.8Å; T1100-N1102 PolarHBondContact O-OD1 3.09Å | ||
| 1103 | G | 56.8 | Low | 55.7 | Low | 26 Ų | 26 | 45.9 Ų | 45.9 | 27% | 0.268 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -136.7 | 167.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1101 | C1101-G1103 PolarHBondContact O-N 3Š|
| 1104 | A | 67.1 | Low | 57.2 | Low | 21 Ų | 21 | 41.9 Ų | 41.9 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | trans | -59.2 | 147 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1026 V1060 S1106 | A1026-A1104 HydrophobicContact CB-CB 3.97Å; V1060-A1104 HydrophobicContact CG1-CB 3.91Å; V1060-A1104 HydrophobicContact CG2-CB 3.82Å; A1104-S1106 PolarHBondContact O-N 3.29Å | ||
| 1105 | I | 73.2 | Confident | 58.6 | Low | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -71.5 | 114.2 | 178.8 | -58 | -173.4 | 0 | 0 | 0 | 108.4 | Y1031 Y1056 L1057 H1109 M1110 I1113 | Y1031-I1105 HydrophobicContact CD1-CD1 3.54Å; Y1031-I1105 HydrophobicContact CD2-CD1 3.61Å; Y1031-I1105 HydrophobicContact CD2-CG1 4.08Å; Y1031-I1105 HydrophobicContact CE1-CD1 3.77Å; Y1031-I1105 HydrophobicContact CE2-CD1 3.82Å; Y1031-I1105 HydrophobicContact CE2-CG1 3.98Å; Y1031-I1105 HydrophobicContact CG-CD1 3.48Å; Y1031-I1105 VanDerWaalsContact CG-CD1 3.48Å; Y1031-I1105 HydrophobicContact CG-CG1 4.44Å; Y1031-I1105 VanDerWaalsContact N-CD1 3.26Å; Y1056-I1105 HydrophobicContact CE1-CB 4.24Å; Y1056-I1105 WeakPolarHBondContact CE1-O 3.32Å; Y1056-I1105 PolarHBondContact OH-N 3.46Å; Y1056-I1105 VanDerWaalsContact OH-N 3.14Å; L1057-I1105 WeakPolarHBondContact CD2-O 3.48Å; I1105-H1109 HydrophobicContact CG2-CB 3.89Å; I1105-M1110 HydrophobicContact CG2-CB 3.9Å; I1105-I1113 HydrophobicContact CD1-CD1 4.41Å | ||
| 1106 | S | 72.2 | Confident | 59.8 | Low | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.119 | 20% | 0.203 | C | C | . | . | trans | -73.8 | 162.8 | 169.8 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | A1104 D1108 H1109 M1110 | A1104-S1106 PolarHBondContact O-N 3.29Å; S1106-D1108 PolarHBondContact O-N 3.34Å; S1106-H1109 PolarHBondContact O-N 3.11Å; S1106-H1109 VanDerWaalsContact O-N 3.12Å; S1106-H1109 VanDerWaalsContact OG-CG 3.24Å; S1106-H1109 PolarHBondContact OG-N 3.14Å; S1106-H1109 PolarHBondContact OG-ND1 3.22Å; S1106-M1110 PolarHBondContact O-N 2.9Å | ||
| 1107 | A | 71.3 | Confident | 60.9 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.9 | -40.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1057 E1061 M1110 L1111 V1142 | L1057-A1107 HydrophobicContact CD1-CB 4.24Å; L1057-A1107 HydrophobicContact CD2-CB 4.28Å; E1061-A1107 WeakPolarHBondContact OE1-CB 2.99Å; A1107-M1110 WeakPolarHBondContact O-CB 3.29Å; A1107-M1110 PolarHBondContact O-N 3.33Å; A1107-L1111 PolarHBondContact O-N 3.49Å; A1107-V1142 HydrophobicContact CB-CB 4.11Å; A1107-V1142 HydrophobicContact CB-CG1 3.95Å; A1107-V1142 HydrophobicContact CB-CG2 3.74Å; A1107-V1142 VanDerWaalsContact O-CG2 3.24Å; A1107-V1142 WeakPolarHBondContact O-CG2 3.46Å |
| 1108 | D | 68 | Low | 61.9 | Low | 56 Ų | 56 | 27 Ų | 27 | 30% | 0.299 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.6 | -75.4 | -20.8 | 0 | 0 | 0 | 113.2 | S1106 M1110 L1111 R1112 S1154 | S1106-D1108 PolarHBondContact O-N 3.34Å; D1108-M1110 VanDerWaalsContact C-N 3.35Å; D1108-M1110 PolarHBondContact O-N 3.06Å; D1108-L1111 PolarHBondContact O-N 3.01Å; D1108-R1112 WeakPolarHBondContact O-CG 3.36Å; D1108-R1112 PolarHBondContact O-N 2.6Å; D1108-S1154 WeakPolarHBondContact OD1-CB 3.08Å; D1108-S1154 PolarHBondContact OD1-OG 3.1Å |
| 1109 | H | 72.1 | Confident | 63 | Low | 57 Ų | 57 | 29 Ų | 29 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.8 | -70.3 | 162.9 | 0 | 0 | 0 | 111.6 | I1105 S1106 L1111 R1112 I1113 | I1105-H1109 HydrophobicContact CG2-CB 3.89Å; S1106-H1109 PolarHBondContact O-N 3.11Å; S1106-H1109 VanDerWaalsContact O-N 3.12Å; S1106-H1109 VanDerWaalsContact OG-CG 3.24Å; S1106-H1109 PolarHBondContact OG-N 3.14Å; S1106-H1109 PolarHBondContact OG-ND1 3.22Å; H1109-L1111 PolarHBondContact O-N 3.36Å; H1109-R1112 PolarHBondContact O-N 2.74Å; H1109-I1113 WeakPolarHBondContact O-CG1 3.22Å; H1109-I1113 PolarHBondContact O-N 2.79Å |
| 1110 | M | 74.1 | Confident | 63.9 | Low | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 176.2 | 179.5 | -151.2 | 50.6 | 0 | 0 | 111.3 | L1034 L1053 L1057 I1105 S1106 A1107 D1108 R1112 I1113 C1114 A1138 L1141 V1142 | L1034-M1110 HydrophobicContact CD1-CG 3.63Å; L1034-M1110 HydrophobicContact CD2-CB 4.43Å; L1034-M1110 HydrophobicContact CD2-CG 4.02Å; L1034-M1110 HydrophobicContact CG-CG 4.38Å; L1053-M1110 HydrophobicContact CD2-CG 4.29Å; L1053-M1110 HydrophobicContact CD2-SD 3.2Å; L1053-M1110 WeakPolarHBondContact CD2-SD 3.13Å; L1057-M1110 HydrophobicContact CD1-CE 3.86Å; L1057-M1110 HydrophobicContact CD1-SD 3.89Å; I1105-M1110 HydrophobicContact CG2-CB 3.9Å; S1106-M1110 PolarHBondContact O-N 2.9Å; A1107-M1110 WeakPolarHBondContact O-CB 3.29Å; A1107-M1110 PolarHBondContact O-N 3.33Å; D1108-M1110 VanDerWaalsContact C-N 3.35Å; D1108-M1110 PolarHBondContact O-N 3.06Å; M1110-R1112 VanDerWaalsContact C-N 3.32Å; M1110-R1112 PolarHBondContact O-N 2.88Å; M1110-I1113 PolarHBondContact O-N 3.23Å; M1110-C1114 WeakPolarHBondContact O-CB 3.27Å; M1110-C1114 PolarHBondContact O-N 2.7Å; M1110-C1114 PolarHBondContact O-SG 3.42Å; M1110-A1138 HydrophobicContact CE-CB 3.65Å; M1110-A1138 HydrophobicContact SD-CB 4.17Å; M1110-L1141 HydrophobicContact CE-CB 4.14Å; M1110-L1141 HydrophobicContact CE-CD1 4.27Å; M1110-L1141 HydrophobicContact SD-CD1 3.98Å; M1110-V1142 HydrophobicContact CE-CG2 3.65Å |
| 1111 | L | 70.8 | Confident | 64.9 | Low | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.4 | -107.7 | 173.7 | 0 | 0 | 0 | 111.7 | A1107 D1108 H1109 C1114 W1115 A1138 V1142 S1154 | A1107-L1111 PolarHBondContact O-N 3.49Å; D1108-L1111 PolarHBondContact O-N 3.01Å; H1109-L1111 PolarHBondContact O-N 3.36Å; L1111-C1114 PolarHBondContact O-N 3.26Å; L1111-W1115 VanDerWaalsContact O-CB 3.27Å; L1111-W1115 WeakPolarHBondContact O-CB 3.33Å; L1111-W1115 PolarHBondContact O-N 2.88Å; L1111-A1138 HydrophobicContact CD2-CB 4.41Å; L1111-V1142 HydrophobicContact CB-CG2 4.22Å; L1111-V1142 HydrophobicContact CD1-CB 3.6Å; L1111-V1142 HydrophobicContact CD1-CG1 3.84Å; L1111-V1142 HydrophobicContact CD1-CG2 3.2Å; L1111-V1142 HydrophobicContact CG-CB 4.43Å; L1111-V1142 HydrophobicContact CG-CG2 3.52Å; L1111-S1154 WeakPolarHBondContact CD1-OG 3.12Å |
| 1112 | R | 68.4 | Low | 65.6 | Low | 81 Ų | 81 | 28.1 Ų | 28.1 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.2 | -69.6 | -177 | 81.1 | -151 | 2.7 | 112.8 | M1086 L1098 D1108 H1109 M1110 W1115 N1116 | M1086-R1112 PolarHBondContact SD-NH2 3.14Å; L1098-R1112 HydrophobicContact CD2-CB 4.44Å; D1108-R1112 WeakPolarHBondContact O-CG 3.36Å; D1108-R1112 PolarHBondContact O-N 2.6Å; H1109-R1112 PolarHBondContact O-N 2.74Å; M1110-R1112 VanDerWaalsContact C-N 3.32Å; M1110-R1112 PolarHBondContact O-N 2.88Å; R1112-W1115 WeakPolarHBondContact O-CB 3.38Å; R1112-W1115 PolarHBondContact O-N 3.18Å; R1112-N1116 PolarHBondContact O-N 3.43Å |
| 1113 | I | 69.5 | Low | 66.2 | Low | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.7 | -50.1 | 176.6 | -67.1 | 159.1 | 0 | 0 | 0 | 110.3 | F906 Y1031 L1034 I1105 H1109 M1110 W1115 N1116 V1117 | F906-I1113 HydrophobicContact CE1-CG2 3.91Å; F906-I1113 HydrophobicContact CZ-CG2 3.73Å; Y1031-I1113 HydrophobicContact CD1-CD1 4.31Å; Y1031-I1113 HydrophobicContact CE1-CD1 3.52Å; L1034-I1113 HydrophobicContact CD2-CB 3.75Å; L1034-I1113 HydrophobicContact CD2-CD1 3.72Å; L1034-I1113 HydrophobicContact CD2-CG1 4.37Å; L1034-I1113 HydrophobicContact CD2-CG2 3.56Å; L1034-I1113 HydrophobicContact CG-CG2 4.34Å; I1105-I1113 HydrophobicContact CD1-CD1 4.41Å; H1109-I1113 WeakPolarHBondContact O-CG1 3.22Å; H1109-I1113 PolarHBondContact O-N 2.79Å; M1110-I1113 PolarHBondContact O-N 3.23Å; I1113-W1115 PolarHBondContact O-N 3.4Å; I1113-N1116 PolarHBondContact O-N 3.14Å; I1113-N1116 VanDerWaalsContact O-N 3.1Å; I1113-V1117 HydrophobicContact CG2-CG2 4.24Å; I1113-V1117 WeakPolarHBondContact O-CG2 3.42Å; I1113-V1117 PolarHBondContact O-N 3.43Å |
| 1114 | C | 69.8 | Low | 66.2 | Low | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -49.9 | -48 | 173.3 | -78.9 | 0 | 0 | 0 | 0 | 110 | L1034 M1110 L1111 V1117 L1118 V1135 | L1034-C1114 VanDerWaalsContact CD1-SG 3.54Å; M1110-C1114 WeakPolarHBondContact O-CB 3.27Å; M1110-C1114 PolarHBondContact O-N 2.7Å; M1110-C1114 PolarHBondContact O-SG 3.42Å; L1111-C1114 PolarHBondContact O-N 3.26Å; C1114-V1117 PolarHBondContact O-N 3.44Å; C1114-L1118 VanDerWaalsContact O-CG 3.23Å; C1114-L1118 WeakPolarHBondContact O-CG 3.23Å; C1114-L1118 PolarHBondContact O-N 2.95Å; C1114-V1135 HydrophobicContact CB-CG2 4.47Å |
| 1115 | W | 68 | Low | 65.6 | Low | 30 Ų | 30 | 27.7 Ų | 27.7 | 11% | 0.114 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 177 | -175.1 | -109.7 | 0 | 0 | 0 | 113.2 | L1111 R1112 I1113 V1117 L1118 C1119 S1161 L1162 I1165 L1202 | L1111-W1115 VanDerWaalsContact O-CB 3.27Å; L1111-W1115 WeakPolarHBondContact O-CB 3.33Å; L1111-W1115 PolarHBondContact O-N 2.88Å; R1112-W1115 WeakPolarHBondContact O-CB 3.38Å; R1112-W1115 PolarHBondContact O-N 3.18Å; I1113-W1115 PolarHBondContact O-N 3.4Å; W1115-V1117 VanDerWaalsContact C-N 3.31Å; W1115-V1117 PolarHBondContact O-N 3.08Å; W1115-L1118 HydrophobicContact CE3-CD1 4.02Å; W1115-L1118 HydrophobicContact CZ3-CD1 4.31Å; W1115-L1118 WeakPolarHBondContact O-CB 3.49Å; W1115-L1118 PolarHBondContact O-N 2.9Å; W1115-L1118 VanDerWaalsContact O-N 3.17Å; W1115-C1119 VanDerWaalsContact CE2-SG 3.53Å; W1115-C1119 PolarHBondContact O-N 3.1Å; W1115-C1119 PolarHBondContact O-SG 3.42Å; W1115-S1161 VanDerWaalsContact CZ2-CB 3.41Å; W1115-L1162 HydrophobicContact CH2-CB 4.23Å; W1115-L1162 HydrophobicContact CH2-CD1 4.42Å; W1115-L1162 HydrophobicContact CH2-CD2 3.36Å; W1115-L1162 HydrophobicContact CH2-CG 3.33Å; W1115-L1162 HydrophobicContact CZ2-CG 4.36Å; W1115-L1162 HydrophobicContact CZ3-CD1 4.2Å; W1115-L1162 HydrophobicContact CZ3-CD2 3.56Å; W1115-L1162 HydrophobicContact CZ3-CG 3.56Å; W1115-I1165 HydrophobicContact CH2-CD1 3.89Å; W1115-I1165 HydrophobicContact CZ2-CD1 3.68Å; W1115-L1202 HydrophobicContact CZ3-CD1 4.19Å |
| 1116 | N | 64.6 | Low | 64.5 | Low | 21 Ų | 21 | 32.6 Ų | 32.6 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.7 | -79.2 | -2.8 | 0 | 0 | 0 | 112.8 | L1098 R1112 I1113 L1118 C1119 N1120 | L1098-N1116 WeakPolarHBondContact CD1-ND2 3.47Å; R1112-N1116 PolarHBondContact O-N 3.43Å; I1113-N1116 PolarHBondContact O-N 3.14Å; I1113-N1116 VanDerWaalsContact O-N 3.1Å; N1116-L1118 VanDerWaalsContact C-N 3.34Å; N1116-C1119 PolarHBondContact O-N 3.47Å; N1116-N1120 WeakPolarHBondContact O-CB 3.46Å; N1116-N1120 PolarHBondContact O-N 3.01Å; N1116-N1120 VanDerWaalsContact O-N 3.11Å; N1116-N1120 PolarHBondContact O-ND2 3.26Å |
| 1117 | V | 63.3 | Low | 63.7 | Low | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 175 | -179.5 | 0 | 0 | 0 | 0 | 110 | F906 L1038 I1113 C1114 W1115 C1119 N1120 S1121 | F906-V1117 HydrophobicContact CB-CB 4.38Å; F906-V1117 HydrophobicContact CB-CG1 4.42Å; F906-V1117 HydrophobicContact CB-CG2 3.91Å; F906-V1117 HydrophobicContact CD1-CB 4.38Å; F906-V1117 HydrophobicContact CD1-CG2 3.19Å; F906-V1117 HydrophobicContact CE1-CG2 3.63Å; F906-V1117 HydrophobicContact CG-CG2 3.67Å; F906-V1117 HydrophobicContact CZ-CG2 4.45Å; L1038-V1117 HydrophobicContact CD1-CB 4.41Å; L1038-V1117 HydrophobicContact CD1-CG1 4.47Å; L1038-V1117 HydrophobicContact CD1-CG2 3.66Å; L1038-V1117 HydrophobicContact CD2-CB 4.41Å; L1038-V1117 HydrophobicContact CD2-CG1 4.31Å; L1038-V1117 HydrophobicContact CD2-CG2 4.48Å; I1113-V1117 HydrophobicContact CG2-CG2 4.24Å; I1113-V1117 WeakPolarHBondContact O-CG2 3.42Å; I1113-V1117 PolarHBondContact O-N 3.43Å; C1114-V1117 PolarHBondContact O-N 3.44Å; W1115-V1117 VanDerWaalsContact C-N 3.31Å; W1115-V1117 PolarHBondContact O-N 3.08Å; V1117-C1119 VanDerWaalsContact C-N 3.34Å; V1117-C1119 PolarHBondContact O-N 3.17Å; V1117-N1120 PolarHBondContact O-N 2.92Å; V1117-S1121 WeakPolarHBondContact O-CB 3.48Å; V1117-S1121 PolarHBondContact O-N 2.93Å; V1117-S1121 PolarHBondContact O-OG 2.91Å |
| 1118 | L | 62 | Low | 63.1 | Low | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 176.7 | -68.9 | 174.6 | 0 | 0 | 0 | 112.4 | C1114 W1115 N1116 N1120 Y1123 V1135 F1198 L1202 | C1114-L1118 VanDerWaalsContact O-CG 3.23Å; C1114-L1118 WeakPolarHBondContact O-CG 3.23Å; C1114-L1118 PolarHBondContact O-N 2.95Å; W1115-L1118 HydrophobicContact CE3-CD1 4.02Å; W1115-L1118 HydrophobicContact CZ3-CD1 4.31Å; W1115-L1118 WeakPolarHBondContact O-CB 3.49Å; W1115-L1118 PolarHBondContact O-N 2.9Å; W1115-L1118 VanDerWaalsContact O-N 3.17Å; N1116-L1118 VanDerWaalsContact C-N 3.34Å; L1118-N1120 VanDerWaalsContact C-N 3.27Å; L1118-N1120 PolarHBondContact O-N 3.37Å; L1118-Y1123 HydrophobicContact CD2-CE2 4.37Å; L1118-Y1123 WeakPolarHBondContact CD2-OH 3.36Å; L1118-Y1123 WeakPolarHBondContact O-CE2 3.43Å; L1118-V1135 HydrophobicContact CD1-CB 4.08Å; L1118-V1135 HydrophobicContact CD1-CG1 3.85Å; L1118-V1135 HydrophobicContact CD1-CG2 3.22Å; L1118-V1135 HydrophobicContact CD2-CG2 3.77Å; L1118-V1135 HydrophobicContact CG-CG2 3.72Å; L1118-F1198 HydrophobicContact CB-CE1 3.95Å; L1118-F1198 HydrophobicContact CD1-CE1 4.13Å; L1118-F1198 HydrophobicContact CD2-CE1 3.48Å; L1118-F1198 VanDerWaalsContact CD2-CE1 3.48Å; L1118-F1198 HydrophobicContact CD2-CZ 3.37Å; L1118-F1198 HydrophobicContact CG-CE1 4.01Å; L1118-F1198 HydrophobicContact CG-CZ 4.34Å; L1118-L1202 HydrophobicContact CD1-CD1 3.74Å |
| 1119 | C | 61.8 | Low | 62.4 | Low | 52 Ų | 52 | 35.2 Ų | 35.2 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.7 | -29.7 | -178.9 | -68.1 | 0 | 0 | 0 | 0 | 113 | W1115 N1116 V1117 | W1115-C1119 VanDerWaalsContact CE2-SG 3.53Å; W1115-C1119 PolarHBondContact O-N 3.1Å; W1115-C1119 PolarHBondContact O-SG 3.42Å; N1116-C1119 PolarHBondContact O-N 3.47Å; V1117-C1119 VanDerWaalsContact C-N 3.34Å; V1117-C1119 PolarHBondContact O-N 3.17Å |
| 1120 | N | 61.4 | Low | 61.5 | Low | 53 Ų | 53 | 33.6 Ų | 33.6 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -100 | 0.4 | -174.6 | -69.1 | -32.8 | 0 | 0 | 0 | 114.7 | N1116 V1117 L1118 | N1116-N1120 WeakPolarHBondContact O-CB 3.46Å; N1116-N1120 PolarHBondContact O-N 3.01Å; N1116-N1120 VanDerWaalsContact O-N 3.11Å; N1116-N1120 PolarHBondContact O-ND2 3.26Å; V1117-N1120 PolarHBondContact O-N 2.92Å; L1118-N1120 VanDerWaalsContact C-N 3.27Å; L1118-N1120 PolarHBondContact O-N 3.37Å |
| 1121 | S | 59.7 | Low | 60.6 | Low | 16 Ų | 16 | 33.8 Ų | 33.8 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -112.4 | 143.7 | -175.1 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | V1117 Y1123 | V1117-S1121 WeakPolarHBondContact O-CB 3.48Å; V1117-S1121 PolarHBondContact O-N 2.93Å; V1117-S1121 PolarHBondContact O-OG 2.91Å; S1121-Y1123 VanDerWaalsContact O-CD2 3.27Å; S1121-Y1123 WeakPolarHBondContact O-CD2 3.47Å; S1121-Y1123 VanDerWaalsContact O-CE2 3.31Å; S1121-Y1123 WeakPolarHBondContact O-CE2 3.19Å; S1121-Y1123 WeakPolarHBondContact OG-CE2 3.28Å; S1121-Y1123 PolarHBondContact OG-OH 3.08Å |
| 1122 | A | 57.2 | Low | 60.2 | Low | 26 Ų | 26 | 34.6 Ų | 34.6 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | trans | -87.9 | 119.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1127 | A1122-R1127 WeakPolarHBondContact O-CD 3.31Å; A1122-R1127 PolarHBondContact O-NH1 3.35Å | ||
| 1123 | Y | 59.2 | Low | 60 | Low | 22 Ų | 22 | 34.4 Ų | 34.4 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | trans | -101.4 | 137.3 | 179.8 | -64.8 | -86.6 | 0 | 0 | 0 | 111.7 | L1118 S1121 R1127 H1192 D1193 F1198 | L1118-Y1123 HydrophobicContact CD2-CE2 4.37Å; L1118-Y1123 WeakPolarHBondContact CD2-OH 3.36Å; L1118-Y1123 WeakPolarHBondContact O-CE2 3.43Å; S1121-Y1123 VanDerWaalsContact O-CD2 3.27Å; S1121-Y1123 WeakPolarHBondContact O-CD2 3.47Å; S1121-Y1123 VanDerWaalsContact O-CE2 3.31Å; S1121-Y1123 WeakPolarHBondContact O-CE2 3.19Å; S1121-Y1123 WeakPolarHBondContact OG-CE2 3.28Å; S1121-Y1123 PolarHBondContact OG-OH 3.08Å; Y1123-R1127 HydrophobicContact CD1-CB 3.94Å; Y1123-H1192 WeakPolarHBondContact O-CA 3.25Å; Y1123-D1193 PolarHBondContact O-N 3.33Å; Y1123-F1198 HydrophobicContact CD1-CD2 4.19Å; Y1123-F1198 AromaticContact CD1-CE2 3.85Å; Y1123-F1198 HydrophobicContact CD1-CE2 3.85Å; Y1123-F1198 HydrophobicContact CD1-CZ 4.4Å; Y1123-F1198 HydrophobicContact CD2-CD1 4.23Å; Y1123-F1198 AromaticContact CD2-CD2 3.95Å; Y1123-F1198 HydrophobicContact CD2-CD2 3.95Å; Y1123-F1198 HydrophobicContact CD2-CE1 4.35Å; Y1123-F1198 HydrophobicContact CD2-CE2 4.11Å; Y1123-F1198 HydrophobicContact CD2-CG 4.02Å; Y1123-F1198 HydrophobicContact CD2-CZ 4.33Å; Y1123-F1198 AromaticContact CE1-CE2 3.98Å; Y1123-F1198 HydrophobicContact CE1-CE2 3.98Å; Y1123-F1198 HydrophobicContact CE1-CZ 4.1Å; Y1123-F1198 HydrophobicContact CE2-CD1 4.25Å; Y1123-F1198 HydrophobicContact CE2-CD2 4.45Å; Y1123-F1198 HydrophobicContact CE2-CE1 4.01Å; Y1123-F1198 HydrophobicContact CE2-CE2 4.24Å; Y1123-F1198 HydrophobicContact CE2-CG 4.47Å; Y1123-F1198 HydrophobicContact CE2-CZ 4.03Å; Y1123-F1198 AromaticContact CG-CD2 3.83Å; Y1123-F1198 HydrophobicContact CG-CD2 3.83Å; Y1123-F1198 AromaticContact CG-CE2 3.94Å; Y1123-F1198 HydrophobicContact CG-CE2 3.94Å; Y1123-F1198 HydrophobicContact CG-CG 4.34Å; Y1123-F1198 AromaticContact CZ-CZ 3.93Å | ||
| 1124 | S | 55.9 | Low | 59.7 | Low | 19 Ų | 19 | 34.4 Ų | 34.4 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | trans | -106.8 | 172 | 163.6 | 66.5 | 0 | 0 | 0 | 0 | 109.5 | T1126 R1127 R1128 | S1124-T1126 PolarHBondContact O-N 2.75Å; S1124-T1126 VanDerWaalsContact O-N 3.14Å; S1124-T1126 PolarHBondContact OG-OG1 3.15Å; S1124-T1126 VanDerWaalsContact OG-OG1 3.12Å; S1124-R1127 WeakPolarHBondContact O-CA 3.33Å; S1124-R1127 PolarHBondContact O-N 3.17Å; S1124-R1127 PolarHBondContact OG-N 2.97Å; S1124-R1128 PolarHBondContact O-N 2.8Å; S1124-R1128 VanDerWaalsContact O-N 3.1Å | ||
| 1125 | V | 54.3 | Low | 59.5 | Low | 99 Ų | 99 | 34.6 Ų | 34.6 | 60% | 0.6 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -42.3 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | R1127 R1128 | V1125-R1127 VanDerWaalsContact C-N 3.34Å; V1125-R1127 PolarHBondContact O-N 2.87Å; V1125-R1128 PolarHBondContact O-N 2.94Å |
| 1126 | T | 51.1 | Low | 59.4 | Low | 107 Ų | 107 | 34.6 Ų | 34.6 | 66% | 0.656 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.8 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | S1124 | S1124-T1126 PolarHBondContact O-N 2.75Å; S1124-T1126 VanDerWaalsContact O-N 3.14Å; S1124-T1126 PolarHBondContact OG-OG1 3.15Å; S1124-T1126 VanDerWaalsContact OG-OG1 3.12Å |
| 1127 | R | 55.1 | Low | 59.6 | Low | 49 Ų | 49 | 35.6 Ų | 35.6 | 19% | 0.185 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -16.6 | 173.1 | -69.3 | -178.3 | 171.9 | 177.2 | -2 | 113.2 | E915 A1122 Y1123 S1124 V1125 G1129 A1130 G1131 | E915-R1127 IonicContact OE2-NH2 3Å; A1122-R1127 WeakPolarHBondContact O-CD 3.31Å; A1122-R1127 PolarHBondContact O-NH1 3.35Å; Y1123-R1127 HydrophobicContact CD1-CB 3.94Å; S1124-R1127 WeakPolarHBondContact O-CA 3.33Å; S1124-R1127 PolarHBondContact O-N 3.17Å; S1124-R1127 PolarHBondContact OG-N 2.97Å; V1125-R1127 VanDerWaalsContact C-N 3.34Å; V1125-R1127 PolarHBondContact O-N 2.87Å; R1127-G1129 PolarHBondContact O-N 3.42Å; R1127-A1130 PolarHBondContact O-N 3.36Å; R1127-G1131 PolarHBondContact O-N 3.46Å; R1127-G1131 VanDerWaalsContact O-N 3.1Å |
| 1128 | R | 58.9 | Low | 59.8 | Low | 37 Ų | 37 | 35.2 Ų | 35.2 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51.7 | -50.7 | -177.7 | -65.8 | -175.5 | -165.5 | 168.6 | 7.1 | 112.2 | S1124 V1125 A1130 G1131 L1132 D1193 H1201 | S1124-R1128 PolarHBondContact O-N 2.8Å; S1124-R1128 VanDerWaalsContact O-N 3.1Å; V1125-R1128 PolarHBondContact O-N 2.94Å; R1128-A1130 VanDerWaalsContact C-N 3.32Å; R1128-A1130 PolarHBondContact O-N 2.94Å; R1128-G1131 PolarHBondContact O-N 2.93Å; R1128-L1132 HydrophobicContact CB-CD1 4.32Å; R1128-L1132 WeakPolarHBondContact O-CB 3.3Å; R1128-L1132 WeakPolarHBondContact O-CD1 3.34Å; R1128-L1132 PolarHBondContact O-N 3.08Å; R1128-D1193 IonicContact CZ-OD2 3.74Å; R1128-D1193 IonicContact NE-OD2 3.55Å; R1128-D1193 PolarHBondContact NE-OD2 2.92Å; R1128-D1193 VanDerWaalsContact NH2-CG 3.33Å; R1128-D1193 IonicContact NH2-OD1 2.68Å; R1128-D1193 PolarHBondContact NH2-OD1 3.45Å; R1128-D1193 IonicContact NH2-OD2 3.61Å; R1128-D1193 PolarHBondContact NH2-OD2 3.12Å; R1128-H1201 PolarHBondContact NH1-CE1 2.91Å; R1128-H1201 PolarHBondContact NH1-NE2 3.26Å; R1128-H1201 VanDerWaalsContact NH1-NE2 3.14Å |
| 1129 | G | 53.5 | Low | 60.1 | Low | 42 Ų | 42 | 35 Ų | 35 | 43% | 0.433 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.8 | -34.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1127 I1133 | R1127-G1129 PolarHBondContact O-N 3.42Å; G1129-I1133 WeakPolarHBondContact O-CD1 3.12Å; G1129-I1133 VanDerWaalsContact O-CG1 3.29Å; G1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; G1129-I1133 PolarHBondContact O-N 3.04Å |
| 1130 | A | 52 | Low | 60.5 | Low | 23 Ų | 23 | 33 Ų | 33 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.2 | -32.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1127 R1128 P1134 | R1127-A1130 PolarHBondContact O-N 3.36Å; R1128-A1130 VanDerWaalsContact C-N 3.32Å; R1128-A1130 PolarHBondContact O-N 2.94Å; A1130-P1134 WeakPolarHBondContact O-CD 3.17Å; A1130-P1134 WeakPolarHBondContact O-CG 3.21Å |
| 1131 | G | 57.1 | Low | 60.9 | Low | 6 Ų | 6 | 30.5 Ų | 30.5 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -82.4 | -38.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1127 R1128 V1135 | R1127-G1131 PolarHBondContact O-N 3.46Å; R1127-G1131 VanDerWaalsContact O-N 3.1Å; R1128-G1131 PolarHBondContact O-N 2.93Å; G1131-V1135 VanDerWaalsContact O-CG2 3.24Å; G1131-V1135 WeakPolarHBondContact O-CG2 3.49Å |
| 1132 | L | 61.4 | Low | 61.4 | Low | 23 Ų | 23 | 29.7 Ų | 29.7 | 12% | 0.12 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.5 | -44.3 | -176.5 | -100.5 | 124.9 | 0 | 0 | 0 | 113.4 | R1128 V1135 I1136 F1198 H1201 L1202 | R1128-L1132 HydrophobicContact CB-CD1 4.32Å; R1128-L1132 WeakPolarHBondContact O-CB 3.3Å; R1128-L1132 WeakPolarHBondContact O-CD1 3.34Å; R1128-L1132 PolarHBondContact O-N 3.08Å; L1132-V1135 PolarHBondContact O-N 2.93Å; L1132-I1136 HydrophobicContact CD2-CD1 3.93Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.38Å; L1132-I1136 PolarHBondContact O-N 2.99Å; L1132-F1198 HydrophobicContact CD1-CE2 4.29Å; L1132-H1201 HydrophobicContact CD1-CB 3.88Å; L1132-H1201 WeakPolarHBondContact CD2-O 3.06Å; L1132-L1202 HydrophobicContact CD2-CD2 4.04Å; L1132-L1202 HydrophobicContact CG-CD2 3.87Å; L1132-L1202 HydrophobicContact CG-CG 4.33Å |
| 1133 | I | 63.9 | Low | 61.8 | Low | 78 Ų | 78 | 29.7 Ų | 29.7 | 40% | 0.4 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -62.6 | -51.3 | -173.7 | -67.2 | 168.5 | 0 | 0 | 0 | 111.5 | I1046 G1129 V1135 I1136 R1137 | I1046-I1133 HydrophobicContact CG2-CG2 4.08Å; G1129-I1133 WeakPolarHBondContact O-CD1 3.12Å; G1129-I1133 VanDerWaalsContact O-CG1 3.29Å; G1129-I1133 WeakPolarHBondContact O-CG1 3.48Å; G1129-I1133 PolarHBondContact O-N 3.04Å; I1133-V1135 PolarHBondContact O-N 3.05Å; I1133-V1135 VanDerWaalsContact O-N 3.17Å; I1133-I1136 PolarHBondContact O-N 3.16Å; I1133-R1137 HydrophobicContact CG2-CG 4.13Å; I1133-R1137 VanDerWaalsContact O-CB 3.23Å; I1133-R1137 WeakPolarHBondContact O-CB 3.46Å; I1133-R1137 WeakPolarHBondContact O-CG 3.35Å; I1133-R1137 PolarHBondContact O-N 3.16Å |
| 1134 | P | 63.1 | Low | 62 | Low | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.6 | -36.5 | 176 | -31.8 | 39.3 | 0 | 0 | 0 | 113.7 | L1037 A1130 A1138 | L1037-P1134 HydrophobicContact CD2-CB 4.18Å; L1037-P1134 HydrophobicContact CG-CB 3.99Å; L1037-P1134 HydrophobicContact CG-CG 4.47Å; A1130-P1134 WeakPolarHBondContact O-CD 3.17Å; A1130-P1134 WeakPolarHBondContact O-CG 3.21Å; P1134-A1138 VanDerWaalsContact O-CB 3.24Å; P1134-A1138 WeakPolarHBondContact O-CB 3.33Å; P1134-A1138 PolarHBondContact O-N 2.75Å |
| 1135 | V | 65.4 | Low | 62.4 | Low | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -81.6 | -45.7 | -173.1 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | C1114 L1118 G1131 L1132 I1133 R1137 A1138 C1139 L1202 | C1114-V1135 HydrophobicContact CB-CG2 4.47Å; L1118-V1135 HydrophobicContact CD1-CB 4.08Å; L1118-V1135 HydrophobicContact CD1-CG1 3.85Å; L1118-V1135 HydrophobicContact CD1-CG2 3.22Å; L1118-V1135 HydrophobicContact CD2-CG2 3.77Å; L1118-V1135 HydrophobicContact CG-CG2 3.72Å; G1131-V1135 VanDerWaalsContact O-CG2 3.24Å; G1131-V1135 WeakPolarHBondContact O-CG2 3.49Å; L1132-V1135 PolarHBondContact O-N 2.93Å; I1133-V1135 PolarHBondContact O-N 3.05Å; I1133-V1135 VanDerWaalsContact O-N 3.17Å; V1135-R1137 PolarHBondContact O-N 3.04Å; V1135-A1138 WeakPolarHBondContact O-CB 3.2Å; V1135-A1138 PolarHBondContact O-N 3.25Å; V1135-A1138 VanDerWaalsContact O-N 3.12Å; V1135-C1139 PolarHBondContact O-N 3.2Å; V1135-C1139 PolarHBondContact O-SG 3.04Å; V1135-L1202 HydrophobicContact CB-CD2 4.05Å; V1135-L1202 HydrophobicContact CG1-CD2 3.87Å |
| 1136 | I | 66.8 | Low | 62.7 | Low | 30 Ų | 30 | 30 Ų | 30 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 171.4 | -66 | 171.4 | 0 | 0 | 0 | 109.1 | L1132 I1133 C1139 L1140 | L1132-I1136 HydrophobicContact CD2-CD1 3.93Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.38Å; L1132-I1136 PolarHBondContact O-N 2.99Å; I1133-I1136 PolarHBondContact O-N 3.16Å; I1136-C1139 PolarHBondContact O-N 2.84Å; I1136-L1140 HydrophobicContact CG2-CD1 4.06Å; I1136-L1140 VanDerWaalsContact O-CG 3.25Å; I1136-L1140 WeakPolarHBondContact O-CG 3.28Å; I1136-L1140 PolarHBondContact O-N 3.27Å |
| 1137 | R | 68.6 | Low | 62.8 | Low | 42 Ų | 42 | 26.6 Ų | 26.6 | 16% | 0.158 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.2 | -70.4 | -62.4 | -174.5 | 174.6 | 7.8 | 111.9 | E1047 Y1050 I1133 V1135 C1139 L1140 L1141 | E1047-R1137 IonicContact OE1-CZ 3.74Å; E1047-R1137 IonicContact OE1-NE 3.49Å; E1047-R1137 IonicContact OE1-NH2 3.21Å; E1047-R1137 PolarHBondContact OE1-NH2 3.22Å; E1047-R1137 IonicContact OE2-CZ 2.6Å; E1047-R1137 IonicContact OE2-NH2 3.97Å; E1047-R1137 PolarHBondContact OE2-NH2 3.45Å; Y1050-R1137 HydrophobicContact CD2-CB 3.67Å; Y1050-R1137 HydrophobicContact CD2-CG 4.04Å; Y1050-R1137 HydrophobicContact CE2-CB 3.88Å; Y1050-R1137 HydrophobicContact CE2-CG 4.29Å; I1133-R1137 HydrophobicContact CG2-CG 4.13Å; I1133-R1137 VanDerWaalsContact O-CB 3.23Å; I1133-R1137 WeakPolarHBondContact O-CB 3.46Å; I1133-R1137 WeakPolarHBondContact O-CG 3.35Å; I1133-R1137 PolarHBondContact O-N 3.16Å; V1135-R1137 PolarHBondContact O-N 3.04Å; R1137-C1139 PolarHBondContact O-N 3.06Å; R1137-L1140 WeakPolarHBondContact O-CB 3.35Å; R1137-L1140 PolarHBondContact O-N 3.43Å; R1137-L1140 VanDerWaalsContact O-N 3.15Å; R1137-L1141 WeakPolarHBondContact O-CG 3.46Å; R1137-L1141 PolarHBondContact O-N 3.45Å |
| 1138 | A | 67.6 | Low | 62.5 | Low | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M1110 L1111 P1134 V1135 L1140 L1141 V1142 | M1110-A1138 HydrophobicContact CE-CB 3.65Å; M1110-A1138 HydrophobicContact SD-CB 4.17Å; L1111-A1138 HydrophobicContact CD2-CB 4.41Å; P1134-A1138 VanDerWaalsContact O-CB 3.24Å; P1134-A1138 WeakPolarHBondContact O-CB 3.33Å; P1134-A1138 PolarHBondContact O-N 2.75Å; V1135-A1138 WeakPolarHBondContact O-CB 3.2Å; V1135-A1138 PolarHBondContact O-N 3.25Å; V1135-A1138 VanDerWaalsContact O-N 3.12Å; A1138-L1140 VanDerWaalsContact C-N 3.3Å; A1138-L1140 PolarHBondContact O-N 3.5Å; A1138-L1141 WeakPolarHBondContact O-CB 3.29Å; A1138-L1141 PolarHBondContact O-N 2.84Å; A1138-L1141 VanDerWaalsContact O-N 3.14Å; A1138-V1142 VanDerWaalsContact O-CG2 3.25Å; A1138-V1142 WeakPolarHBondContact O-CG2 3.49Å; A1138-V1142 PolarHBondContact O-N 2.98Å |
| 1139 | C | 69 | Low | 62 | Low | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 174.1 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | V1135 I1136 R1137 V1142 K1143 L1155 L1206 L1212 | V1135-C1139 PolarHBondContact O-N 3.2Å; V1135-C1139 PolarHBondContact O-SG 3.04Å; I1136-C1139 PolarHBondContact O-N 2.84Å; R1137-C1139 PolarHBondContact O-N 3.06Å; C1139-V1142 PolarHBondContact O-N 3.19Å; C1139-K1143 WeakPolarHBondContact O-CB 3.49Å; C1139-K1143 PolarHBondContact O-N 2.98Å; C1139-L1155 HydrophobicContact CB-CD1 4.46Å; C1139-L1206 HydrophobicContact CB-CD2 4.19Å; C1139-L1212 HydrophobicContact CB-CD1 4.16Å; C1139-L1212 HydrophobicContact CB-CD2 3.85Å |
| 1140 | L | 68.4 | Low | 61.9 | Low | 11 Ų | 11 | 41.4 Ų | 41.4 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 177 | -71.1 | 165.1 | 0 | 0 | 0 | 112.3 | I1136 R1137 A1138 K1143 S1144 R1211 L1212 | I1136-L1140 HydrophobicContact CG2-CD1 4.06Å; I1136-L1140 VanDerWaalsContact O-CG 3.25Å; I1136-L1140 WeakPolarHBondContact O-CG 3.28Å; I1136-L1140 PolarHBondContact O-N 3.27Å; R1137-L1140 WeakPolarHBondContact O-CB 3.35Å; R1137-L1140 PolarHBondContact O-N 3.43Å; R1137-L1140 VanDerWaalsContact O-N 3.15Å; A1138-L1140 VanDerWaalsContact C-N 3.3Å; A1138-L1140 PolarHBondContact O-N 3.5Å; L1140-K1143 PolarHBondContact O-N 3.44Å; L1140-S1144 WeakPolarHBondContact O-CB 3.5Å; L1140-S1144 PolarHBondContact O-N 2.74Å; L1140-S1144 PolarHBondContact O-OG 3.14Å; L1140-R1211 VanDerWaalsContact CD1-CZ 3.48Å; L1140-R1211 VanDerWaalsContact CD1-NH2 3.26Å; L1140-R1211 HydrophobicContact CD2-CB 3.63Å; L1140-L1212 HydrophobicContact CD2-CD2 3.71Å; L1140-L1212 HydrophobicContact CD2-CG 3.87Å; L1140-L1212 HydrophobicContact CG-CD2 4.03Å; L1140-L1212 HydrophobicContact CG-CG 4.33Å |
| 1141 | L | 70.7 | Confident | 61.9 | Low | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -52.1 | 174.4 | -69.8 | 175.5 | 0 | 0 | 0 | 110.1 | Y1050 L1053 L1054 L1057 M1110 R1137 A1138 K1143 S1144 C1145 | Y1050-L1141 HydrophobicContact CD2-CD1 4.04Å; Y1050-L1141 HydrophobicContact CD2-CD2 3.72Å; Y1050-L1141 HydrophobicContact CD2-CG 3.83Å; Y1050-L1141 HydrophobicContact CE2-CD1 4.19Å; Y1050-L1141 HydrophobicContact CE2-CD2 3.34Å; Y1050-L1141 HydrophobicContact CE2-CG 3.47Å; Y1050-L1141 VanDerWaalsContact CE2-CG 3.47Å; L1053-L1141 HydrophobicContact CB-CD1 4.11Å; L1053-L1141 HydrophobicContact CD2-CD1 3.53Å; L1053-L1141 HydrophobicContact CG-CD1 4.42Å; L1054-L1141 HydrophobicContact CB-CD2 3.44Å; L1054-L1141 VanDerWaalsContact CB-CD2 3.44Å; L1054-L1141 HydrophobicContact CD1-CD2 3.63Å; L1054-L1141 HydrophobicContact CG-CD2 4.04Å; L1057-L1141 HydrophobicContact CD1-CB 3.91Å; L1057-L1141 HydrophobicContact CD1-CD1 4.1Å; M1110-L1141 HydrophobicContact CE-CB 4.14Å; M1110-L1141 HydrophobicContact CE-CD1 4.27Å; M1110-L1141 HydrophobicContact SD-CD1 3.98Å; R1137-L1141 WeakPolarHBondContact O-CG 3.46Å; R1137-L1141 PolarHBondContact O-N 3.45Å; A1138-L1141 WeakPolarHBondContact O-CB 3.29Å; A1138-L1141 PolarHBondContact O-N 2.84Å; A1138-L1141 VanDerWaalsContact O-N 3.14Å; L1141-K1143 VanDerWaalsContact C-N 3.29Å; L1141-K1143 PolarHBondContact O-N 3.08Å; L1141-S1144 WeakPolarHBondContact CA-OG 3.26Å; L1141-S1144 PolarHBondContact O-N 3.1Å; L1141-S1144 PolarHBondContact O-OG 3.15Å; L1141-C1145 PolarHBondContact O-N 3.48Å; L1141-C1145 PolarHBondContact O-SG 3.36Å |
| 1142 | V | 69.4 | Low | 62 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -39.9 | -179 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | A1107 M1110 L1111 A1138 C1139 S1144 C1145 N1146 P1152 | A1107-V1142 HydrophobicContact CB-CB 4.11Å; A1107-V1142 HydrophobicContact CB-CG1 3.95Å; A1107-V1142 HydrophobicContact CB-CG2 3.74Å; A1107-V1142 VanDerWaalsContact O-CG2 3.24Å; A1107-V1142 WeakPolarHBondContact O-CG2 3.46Å; M1110-V1142 HydrophobicContact CE-CG2 3.65Å; L1111-V1142 HydrophobicContact CB-CG2 4.22Å; L1111-V1142 HydrophobicContact CD1-CB 3.6Å; L1111-V1142 HydrophobicContact CD1-CG1 3.84Å; L1111-V1142 HydrophobicContact CD1-CG2 3.2Å; L1111-V1142 HydrophobicContact CG-CB 4.43Å; L1111-V1142 HydrophobicContact CG-CG2 3.52Å; A1138-V1142 VanDerWaalsContact O-CG2 3.25Å; A1138-V1142 WeakPolarHBondContact O-CG2 3.49Å; A1138-V1142 PolarHBondContact O-N 2.98Å; C1139-V1142 PolarHBondContact O-N 3.19Å; V1142-S1144 VanDerWaalsContact C-N 3.33Å; V1142-S1144 PolarHBondContact O-N 3.3Å; V1142-C1145 PolarHBondContact O-N 2.99Å; V1142-N1146 WeakPolarHBondContact CG1-ND2 3.48Å; V1142-N1146 WeakPolarHBondContact O-CB 3.18Å; V1142-N1146 PolarHBondContact O-N 2.57Å; V1142-P1152 HydrophobicContact CB-CG 4.32Å; V1142-P1152 HydrophobicContact CG1-CB 3.63Å; V1142-P1152 HydrophobicContact CG1-CG 3.5Å; V1142-P1152 VanDerWaalsContact CG1-CG 3.5Å |
| 1143 | K | 66 | Low | 62 | Low | 26 Ų | 26 | 45.3 Ų | 45.3 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 173 | -174.8 | 172.2 | -175.8 | 170.7 | 0 | 112.4 | C1139 L1140 L1141 C1145 G1147 R1211 L1212 | C1139-K1143 WeakPolarHBondContact O-CB 3.49Å; C1139-K1143 PolarHBondContact O-N 2.98Å; L1140-K1143 PolarHBondContact O-N 3.44Å; L1141-K1143 VanDerWaalsContact C-N 3.29Å; L1141-K1143 PolarHBondContact O-N 3.08Å; K1143-C1145 VanDerWaalsContact C-N 3.29Å; K1143-C1145 PolarHBondContact O-N 2.87Å; K1143-G1147 PolarHBondContact O-N 3.38Å; K1143-R1211 WeakPolarHBondContact CD-O 3.18Å; K1143-R1211 WeakPolarHBondContact CE-O 3.46Å; K1143-R1211 PolarHBondContact NZ-O 3.35Å; K1143-L1212 HydrophobicContact CD-CD2 4.33Å; K1143-L1212 PolarHBondContact NZ-O 3.03Å |
| 1144 | S | 63.3 | Low | 61.8 | Low | 54 Ų | 54 | 42.3 Ų | 42.3 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.8 | -24.3 | 179.7 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | L1054 L1140 L1141 V1142 | L1054-S1144 WeakPolarHBondContact CD1-OG 3.4Å; L1140-S1144 WeakPolarHBondContact O-CB 3.5Å; L1140-S1144 PolarHBondContact O-N 2.74Å; L1140-S1144 PolarHBondContact O-OG 3.14Å; L1141-S1144 WeakPolarHBondContact CA-OG 3.26Å; L1141-S1144 PolarHBondContact O-N 3.1Å; L1141-S1144 PolarHBondContact O-OG 3.15Å; V1142-S1144 VanDerWaalsContact C-N 3.33Å; V1142-S1144 PolarHBondContact O-N 3.3Å |
| 1145 | C | 63.9 | Low | 62.1 | Low | 23 Ų | 23 | 42.5 Ų | 42.5 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -90.1 | -44.1 | 179.9 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | E1061 L1141 V1142 K1143 G1147 | E1061-C1145 WeakPolarHBondContact OE1-CB 3.44Å; E1061-C1145 WeakPolarHBondContact OE2-CA 3.38Å; E1061-C1145 WeakPolarHBondContact OE2-CB 3.39Å; E1061-C1145 VanDerWaalsContact OE2-O 3.13Å; L1141-C1145 PolarHBondContact O-N 3.48Å; L1141-C1145 PolarHBondContact O-SG 3.36Å; V1142-C1145 PolarHBondContact O-N 2.99Å; K1143-C1145 VanDerWaalsContact C-N 3.29Å; K1143-C1145 PolarHBondContact O-N 2.87Å; C1145-G1147 VanDerWaalsContact C-N 3.28Å; C1145-G1147 PolarHBondContact O-N 2.93Å |
| 1146 | N | 61.2 | Low | 62.3 | Low | 69 Ų | 69 | 42.9 Ų | 42.9 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -77 | -4.1 | 179.7 | -72.2 | -17.1 | 0 | 0 | 0 | 115.3 | V1142 | V1142-N1146 WeakPolarHBondContact CG1-ND2 3.48Å; V1142-N1146 WeakPolarHBondContact O-CB 3.18Å; V1142-N1146 PolarHBondContact O-N 2.57Å |
| 1147 | G | 53.9 | Low | 62.3 | Low | 36 Ų | 36 | 44.7 Ų | 44.7 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | trans | 78.5 | 174.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | K1143 C1145 | K1143-G1147 PolarHBondContact O-N 3.38Å; C1145-G1147 VanDerWaalsContact C-N 3.28Å; C1145-G1147 PolarHBondContact O-N 2.93Å | ||
| 1148 | L | 47.6 | Very low | 62.4 | Low | 128 Ų | 128 | 43.1 Ų | 43.1 | 67% | 0.67 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -79 | -23.6 | -172.2 | -87.4 | 156.3 | 0 | 0 | 0 | 114.3 | ||
| 1149 | E | 50 | Low | 62.8 | Low | 186 Ų | 186 | 43.2 Ų | 43.2 | 87% | 0.869 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -86.2 | -17.3 | -158.9 | -70.9 | -174 | 165.2 | 0 | 0 | 115.3 | ||
| 1150 | N | 51 | Low | 63.3 | Low | 125 Ų | 125 | 46.5 Ų | 46.5 | 67% | 0.668 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -132.6 | 131.2 | 174.5 | -73.7 | -44.7 | 0 | 0 | 0 | 110 | ||
| 1151 | P | 52.5 | Low | 63.5 | Low | 30 Ų | 30 | 47.6 Ų | 47.6 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | trans | -58.4 | 134.8 | 167.1 | 25.9 | -31.7 | 0 | 0 | 0 | 107.9 | C1153 V1156 H1217 | P1151-C1153 PolarHBondContact O-N 3.34Å; P1151-V1156 HydrophobicContact CB-CG2 4.16Å; P1151-V1156 HydrophobicContact CG-CG2 4.18Å; P1151-H1217 HydrophobicContact CB-CB 4.29Å; P1151-H1217 HydrophobicContact CG-CB 4.18Å | ||
| 1152 | P | 57.8 | Low | 63.9 | Low | 10 Ų | 10 | 47.6 Ų | 47.6 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | trans | -52.8 | 131.5 | 172 | -22.3 | 31.2 | 0 | 0 | 0 | 108.8 | V1142 S1154 L1155 V1156 | V1142-P1152 HydrophobicContact CB-CG 4.32Å; V1142-P1152 HydrophobicContact CG1-CB 3.63Å; V1142-P1152 HydrophobicContact CG1-CG 3.5Å; V1142-P1152 VanDerWaalsContact CG1-CG 3.5Å; P1152-S1154 VanDerWaalsContact CB-OG 3.26Å; P1152-S1154 WeakPolarHBondContact CB-OG 3.19Å; P1152-S1154 PolarHBondContact O-N 3.4Å; P1152-L1155 HydrophobicContact CB-CB 4.25Å; P1152-L1155 HydrophobicContact CG-CB 4.33Å; P1152-L1155 WeakPolarHBondContact O-CB 3.5Å; P1152-L1155 PolarHBondContact O-N 3.24Å; P1152-V1156 PolarHBondContact O-N 2.79Å | ||
| 1153 | C | 61.8 | Low | 64.6 | Low | 94 Ų | 94 | 47.8 Ų | 47.8 | 64% | 0.635 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -50.2 | -32 | 173.7 | -71.6 | 0 | 0 | 0 | 0 | 111 | P1151 V1156 C1157 | P1151-C1153 PolarHBondContact O-N 3.34Å; C1153-V1156 WeakPolarHBondContact O-CB 3.21Å; C1153-V1156 PolarHBondContact O-N 3.46Å; C1153-C1157 PolarHBondContact O-N 3.46Å; C1153-C1157 PolarHBondContact O-SG 2.94Å |
| 1154 | S | 60.7 | Low | 65.3 | Low | 15 Ų | 15 | 52.4 Ų | 52.4 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | D1108 L1111 P1152 C1157 C1158 | D1108-S1154 WeakPolarHBondContact OD1-CB 3.08Å; D1108-S1154 PolarHBondContact OD1-OG 3.1Å; L1111-S1154 WeakPolarHBondContact CD1-OG 3.12Å; P1152-S1154 VanDerWaalsContact CB-OG 3.26Å; P1152-S1154 WeakPolarHBondContact CB-OG 3.19Å; P1152-S1154 PolarHBondContact O-N 3.4Å; S1154-C1157 PolarHBondContact O-N 2.92Å; S1154-C1158 VanDerWaalsContact O-CB 3.3Å; S1154-C1158 WeakPolarHBondContact O-CB 3.23Å; S1154-C1158 PolarHBondContact O-N 2.92Å |
| 1155 | L | 68.2 | Low | 65.9 | Low | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 175.4 | -179.9 | 66.5 | 0 | 0 | 0 | 110.3 | C1139 P1152 C1158 L1159 | C1139-L1155 HydrophobicContact CB-CD1 4.46Å; P1152-L1155 HydrophobicContact CB-CB 4.25Å; P1152-L1155 HydrophobicContact CG-CB 4.33Å; P1152-L1155 WeakPolarHBondContact O-CB 3.5Å; P1152-L1155 PolarHBondContact O-N 3.24Å; L1155-C1158 PolarHBondContact O-N 3.31Å; L1155-L1159 HydrophobicContact CG-CD1 4.29Å; L1155-L1159 WeakPolarHBondContact O-CB 3.43Å; L1155-L1159 WeakPolarHBondContact O-CG 3.22Å; L1155-L1159 PolarHBondContact O-N 2.87Å |
| 1156 | V | 70 | Confident | 66.8 | Low | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.7 | 167.2 | 0 | 0 | 0 | 0 | 110.7 | P1151 P1152 C1153 C1158 L1159 K1160 P1220 W1233 | P1151-V1156 HydrophobicContact CB-CG2 4.16Å; P1151-V1156 HydrophobicContact CG-CG2 4.18Å; P1152-V1156 PolarHBondContact O-N 2.79Å; C1153-V1156 WeakPolarHBondContact O-CB 3.21Å; C1153-V1156 PolarHBondContact O-N 3.46Å; V1156-C1158 VanDerWaalsContact C-N 3.34Å; V1156-C1158 PolarHBondContact O-N 2.93Å; V1156-L1159 PolarHBondContact O-N 3.39Å; V1156-K1160 WeakPolarHBondContact O-CG 3.4Å; V1156-K1160 PolarHBondContact O-N 2.95Å; V1156-P1220 HydrophobicContact CB-CG 4.45Å; V1156-P1220 HydrophobicContact CG1-CG 3.38Å; V1156-P1220 HydrophobicContact CG2-CG 4.3Å; V1156-W1233 HydrophobicContact CB-CZ2 4.31Å; V1156-W1233 HydrophobicContact CG1-CH2 4.28Å; V1156-W1233 HydrophobicContact CG1-CZ2 3.98Å; V1156-W1233 HydrophobicContact CG2-CZ2 4.17Å |
| 1157 | C | 67.4 | Low | 67.6 | Low | 67 Ų | 67 | 51.9 Ų | 51.9 | 45% | 0.453 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 176.2 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | C1153 S1154 K1160 S1161 | C1153-C1157 PolarHBondContact O-N 3.46Å; C1153-C1157 PolarHBondContact O-SG 2.94Å; S1154-C1157 PolarHBondContact O-N 2.92Å; C1157-K1160 PolarHBondContact O-N 3.25Å; C1157-S1161 PolarHBondContact O-N 3.03Å; C1157-S1161 PolarHBondContact O-OG 3.38Å |
| 1158 | C | 69.8 | Low | 68.4 | Low | 9 Ų | 9 | 52.3 Ų | 52.3 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 112 | S1154 L1155 V1156 S1161 L1162 | S1154-C1158 VanDerWaalsContact O-CB 3.3Å; S1154-C1158 WeakPolarHBondContact O-CB 3.23Å; S1154-C1158 PolarHBondContact O-N 2.92Å; L1155-C1158 PolarHBondContact O-N 3.31Å; V1156-C1158 VanDerWaalsContact C-N 3.34Å; V1156-C1158 PolarHBondContact O-N 2.93Å; C1158-S1161 PolarHBondContact O-N 3.31Å; C1158-L1162 WeakPolarHBondContact O-CB 3.29Å; C1158-L1162 WeakPolarHBondContact O-CG 3.29Å; C1158-L1162 PolarHBondContact O-N 3.04Å |
| 1159 | L | 76.9 | Confident | 69.1 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 173.4 | -73.3 | 170.6 | 0 | 0 | 0 | 111.1 | L1155 V1156 S1161 L1162 F1163 L1203 L1206 V1214 W1233 | L1155-L1159 HydrophobicContact CG-CD1 4.29Å; L1155-L1159 WeakPolarHBondContact O-CB 3.43Å; L1155-L1159 WeakPolarHBondContact O-CG 3.22Å; L1155-L1159 PolarHBondContact O-N 2.87Å; V1156-L1159 PolarHBondContact O-N 3.39Å; L1159-S1161 PolarHBondContact O-N 3.43Å; L1159-L1162 WeakPolarHBondContact O-CB 3.47Å; L1159-L1162 PolarHBondContact O-N 3.36Å; L1159-F1163 HydrophobicContact CB-CD2 4.5Å; L1159-F1163 HydrophobicContact CB-CE2 4.07Å; L1159-F1163 HydrophobicContact CD2-CE2 4.5Å; L1159-F1163 WeakPolarHBondContact O-CD2 3.4Å; L1159-F1163 WeakPolarHBondContact O-CG 3.44Å; L1159-F1163 PolarHBondContact O-N 2.96Å; L1159-L1203 HydrophobicContact CD2-CD2 3.91Å; L1159-L1206 HydrophobicContact CD2-CD1 4.04Å; L1159-V1214 HydrophobicContact CD1-CG1 3.82Å; L1159-V1214 HydrophobicContact CD2-CG1 4.21Å; L1159-W1233 HydrophobicContact CB-CE3 4.24Å; L1159-W1233 HydrophobicContact CB-CH2 3.87Å; L1159-W1233 HydrophobicContact CB-CZ2 4.33Å; L1159-W1233 HydrophobicContact CB-CZ3 3.84Å; L1159-W1233 HydrophobicContact CD1-CD2 3.88Å; L1159-W1233 HydrophobicContact CD1-CE3 4.28Å; L1159-W1233 HydrophobicContact CD1-CG 4.26Å; L1159-W1233 HydrophobicContact CD1-CH2 4.43Å; L1159-W1233 HydrophobicContact CD1-CZ2 4.1Å |
| 1160 | K | 78.5 | Confident | 69.6 | Low | 73 Ų | 73 | 45 Ų | 45 | 32% | 0.317 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.1 | -48.5 | 175.7 | -73.4 | -175.1 | 176.2 | -173.1 | 0 | 111.7 | V1156 C1157 L1162 F1163 E1164 E1222 W1233 | V1156-K1160 WeakPolarHBondContact O-CG 3.4Å; V1156-K1160 PolarHBondContact O-N 2.95Å; C1157-K1160 PolarHBondContact O-N 3.25Å; K1160-L1162 PolarHBondContact O-N 3.38Å; K1160-F1163 PolarHBondContact O-N 2.81Å; K1160-F1163 VanDerWaalsContact O-N 3.17Å; K1160-E1164 WeakPolarHBondContact O-CG 3.26Å; K1160-E1164 PolarHBondContact O-N 2.98Å; K1160-E1222 IonicContact NZ-OE1 3.47Å; K1160-W1233 HydrophobicContact CG-CH2 4.09Å |
| 1161 | S | 72.6 | Confident | 69.7 | Low | 33 Ų | 33 | 45.1 Ų | 45.1 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.3 | -36.9 | 178.1 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | W1115 C1157 C1158 L1159 F1163 E1164 I1165 | W1115-S1161 VanDerWaalsContact CZ2-CB 3.41Å; C1157-S1161 PolarHBondContact O-N 3.03Å; C1157-S1161 PolarHBondContact O-OG 3.38Å; C1158-S1161 PolarHBondContact O-N 3.31Å; L1159-S1161 PolarHBondContact O-N 3.43Å; S1161-F1163 VanDerWaalsContact C-N 3.29Å; S1161-F1163 PolarHBondContact O-N 3.13Å; S1161-E1164 PolarHBondContact O-N 2.94Å; S1161-I1165 WeakPolarHBondContact O-CG1 3.29Å; S1161-I1165 PolarHBondContact O-N 3.37Å |
| 1162 | L | 80.2 | Confident | 69.3 | Low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 171.5 | -81.8 | 167.1 | 0 | 0 | 0 | 110.7 | W1115 C1158 L1159 K1160 I1165 T1166 A1199 L1202 L1203 L1206 | W1115-L1162 HydrophobicContact CH2-CB 4.23Å; W1115-L1162 HydrophobicContact CH2-CD1 4.42Å; W1115-L1162 HydrophobicContact CH2-CD2 3.36Å; W1115-L1162 HydrophobicContact CH2-CG 3.33Å; W1115-L1162 HydrophobicContact CZ2-CG 4.36Å; W1115-L1162 HydrophobicContact CZ3-CD1 4.2Å; W1115-L1162 HydrophobicContact CZ3-CD2 3.56Å; W1115-L1162 HydrophobicContact CZ3-CG 3.56Å; C1158-L1162 WeakPolarHBondContact O-CB 3.29Å; C1158-L1162 WeakPolarHBondContact O-CG 3.29Å; C1158-L1162 PolarHBondContact O-N 3.04Å; L1159-L1162 WeakPolarHBondContact O-CB 3.47Å; L1159-L1162 PolarHBondContact O-N 3.36Å; K1160-L1162 PolarHBondContact O-N 3.38Å; L1162-I1165 PolarHBondContact O-N 3.17Å; L1162-T1166 WeakPolarHBondContact O-CG2 3.46Å; L1162-T1166 PolarHBondContact O-N 2.85Å; L1162-T1166 PolarHBondContact O-OG1 2.9Å; L1162-A1199 HydrophobicContact CD2-CB 3.7Å; L1162-L1202 HydrophobicContact CD1-CB 4.39Å; L1162-L1202 HydrophobicContact CD2-CB 3.93Å; L1162-L1202 HydrophobicContact CD2-CD1 3.91Å; L1162-L1203 HydrophobicContact CB-CD1 4.37Å; L1162-L1203 HydrophobicContact CB-CD2 3.97Å; L1162-L1203 HydrophobicContact CB-CG 4.12Å; L1162-L1203 HydrophobicContact CD1-CD2 3.85Å; L1162-L1203 HydrophobicContact CD1-CG 4.13Å; L1162-L1203 HydrophobicContact CG-CD2 4.47Å; L1162-L1206 HydrophobicContact CD1-CD1 3.71Å |
| 1163 | F | 84.4 | Confident | 68.6 | Low | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178 | -67.9 | -51 | 0 | 0 | 0 | 112.9 | L1159 K1160 S1161 T1166 Q1167 L1203 F1207 W1233 A1237 L1240 A1241 | L1159-F1163 HydrophobicContact CB-CD2 4.5Å; L1159-F1163 HydrophobicContact CB-CE2 4.07Å; L1159-F1163 HydrophobicContact CD2-CE2 4.5Å; L1159-F1163 WeakPolarHBondContact O-CD2 3.4Å; L1159-F1163 WeakPolarHBondContact O-CG 3.44Å; L1159-F1163 PolarHBondContact O-N 2.96Å; K1160-F1163 PolarHBondContact O-N 2.81Å; K1160-F1163 VanDerWaalsContact O-N 3.17Å; S1161-F1163 VanDerWaalsContact C-N 3.29Å; S1161-F1163 PolarHBondContact O-N 3.13Å; F1163-T1166 VanDerWaalsContact CA-OG1 3.31Å; F1163-T1166 WeakPolarHBondContact CA-OG1 3.18Å; F1163-T1166 PolarHBondContact O-N 3.16Å; F1163-T1166 PolarHBondContact O-OG1 3.42Å; F1163-Q1167 VanDerWaalsContact O-CG 3.27Å; F1163-Q1167 WeakPolarHBondContact O-CG 3Å; F1163-Q1167 PolarHBondContact O-N 3.05Å; F1163-Q1167 PolarHBondContact O-NE2 2.82Å; F1163-L1203 HydrophobicContact CD1-CD1 4.04Å; F1163-L1203 HydrophobicContact CD1-CD2 4.49Å; F1163-L1203 HydrophobicContact CE1-CD1 3.7Å; F1163-L1203 HydrophobicContact CE1-CD2 3.75Å; F1163-L1203 HydrophobicContact CE1-CG 4.4Å; F1163-L1203 HydrophobicContact CE2-CD2 4.47Å; F1163-L1203 HydrophobicContact CZ-CD2 3.75Å; F1163-F1207 HydrophobicContact CZ-CE2 4.44Å; F1163-W1233 HydrophobicContact CD2-CE3 4.21Å; F1163-W1233 AromaticContact CD2-CZ3 3.84Å; F1163-W1233 HydrophobicContact CD2-CZ3 3.84Å; F1163-W1233 AromaticContact CE2-CE3 3.42Å; F1163-W1233 HydrophobicContact CE2-CE3 3.42Å; F1163-W1233 VanDerWaalsContact CE2-CE3 3.42Å; F1163-W1233 AromaticContact CE2-CZ3 3.5Å; F1163-W1233 HydrophobicContact CE2-CZ3 3.5Å; F1163-W1233 VanDerWaalsContact CE2-CZ3 3.5Å; F1163-W1233 HydrophobicContact CZ-CE3 4.28Å; F1163-A1237 VanDerWaalsContact CE1-CA 3.41Å; F1163-A1237 HydrophobicContact CE1-CB 3.69Å; F1163-A1237 HydrophobicContact CZ-CB 3.8Å; F1163-L1240 HydrophobicContact CB-CB 4Å; F1163-L1240 HydrophobicContact CB-CD1 3.93Å; F1163-L1240 HydrophobicContact CD1-CB 3.94Å; F1163-L1240 HydrophobicContact CG-CB 4.12Å; F1163-L1240 HydrophobicContact CG-CD1 4.16Å; F1163-A1241 HydrophobicContact CD1-CB 3.97Å; F1163-A1241 HydrophobicContact CE1-CB 4.05Å |
| 1164 | E | 79 | Confident | 67.3 | Low | 123 Ų | 123 | 57 Ų | 57 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.3 | -45.7 | 172.5 | -72.3 | 168.7 | 179.4 | 0 | 0 | 111.6 | K1160 S1161 T1166 Q1167 S1168 | K1160-E1164 WeakPolarHBondContact O-CG 3.26Å; K1160-E1164 PolarHBondContact O-N 2.98Å; S1161-E1164 PolarHBondContact O-N 2.94Å; E1164-T1166 VanDerWaalsContact C-N 3.33Å; E1164-T1166 PolarHBondContact O-N 3.17Å; E1164-Q1167 PolarHBondContact O-N 3.1Å; E1164-Q1167 VanDerWaalsContact O-N 3.14Å; E1164-S1168 PolarHBondContact O-N 2.78Å |
| 1165 | I | 77.4 | Confident | 66 | Low | 41 Ų | 41 | 62.4 Ų | 62.4 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.1 | -65.7 | 167.6 | 0 | 0 | 0 | 110.7 | W1115 S1161 L1162 Q1167 S1168 P1195 A1199 | W1115-I1165 HydrophobicContact CH2-CD1 3.89Å; W1115-I1165 HydrophobicContact CZ2-CD1 3.68Å; S1161-I1165 WeakPolarHBondContact O-CG1 3.29Å; S1161-I1165 PolarHBondContact O-N 3.37Å; L1162-I1165 PolarHBondContact O-N 3.17Å; I1165-Q1167 PolarHBondContact O-N 3.35Å; I1165-S1168 PolarHBondContact O-N 2.91Å; I1165-S1168 PolarHBondContact O-OG 2.83Å; I1165-P1195 HydrophobicContact CG2-CB 4.02Å; I1165-A1199 HydrophobicContact CB-CB 4.18Å; I1165-A1199 HydrophobicContact CG2-CB 3.79Å |
| 1166 | T | 81.8 | Confident | 64.2 | Low | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -19.5 | 178.2 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | L1162 F1163 E1164 R1196 A1199 L1200 L1203 L1240 A1241 | L1162-T1166 WeakPolarHBondContact O-CG2 3.46Å; L1162-T1166 PolarHBondContact O-N 2.85Å; L1162-T1166 PolarHBondContact O-OG1 2.9Å; F1163-T1166 VanDerWaalsContact CA-OG1 3.31Å; F1163-T1166 WeakPolarHBondContact CA-OG1 3.18Å; F1163-T1166 PolarHBondContact O-N 3.16Å; F1163-T1166 PolarHBondContact O-OG1 3.42Å; E1164-T1166 VanDerWaalsContact C-N 3.33Å; E1164-T1166 PolarHBondContact O-N 3.17Å; T1166-R1196 PolarHBondContact O-NE 3.3Å; T1166-R1196 PolarHBondContact O-NH2 3.09Å; T1166-A1199 HydrophobicContact CG2-CB 3.71Å; T1166-L1200 HydrophobicContact CG2-CD2 3.89Å; T1166-L1200 HydrophobicContact CG2-CG 3.96Å; T1166-L1203 HydrophobicContact CG2-CD1 3.99Å; T1166-L1240 PolarHBondContact OG1-O 3.35Å; T1166-L1240 VanDerWaalsContact OG1-O 3.07Å; T1166-A1241 HydrophobicContact CG2-CB 3.91Å; T1166-A1241 WeakPolarHBondContact OG1-CA 3.46Å; T1166-A1241 WeakPolarHBondContact OG1-CB 3.18Å |
| 1167 | Q | 78.6 | Confident | 62.5 | Low | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -87.9 | -14.1 | 178.1 | -72.2 | 172.5 | 48.7 | 0 | 0 | 114.6 | F1163 E1164 I1165 L1240 | F1163-Q1167 VanDerWaalsContact O-CG 3.27Å; F1163-Q1167 WeakPolarHBondContact O-CG 3Å; F1163-Q1167 PolarHBondContact O-N 3.05Å; F1163-Q1167 PolarHBondContact O-NE2 2.82Å; E1164-Q1167 PolarHBondContact O-N 3.1Å; E1164-Q1167 VanDerWaalsContact O-N 3.14Å; I1165-Q1167 PolarHBondContact O-N 3.35Å; Q1167-L1240 HydrophobicContact CG-CB 4.48Å; Q1167-L1240 WeakPolarHBondContact CG-O 3.48Å |
| 1168 | S | 69.5 | Low | 60.8 | Low | 46 Ų | 46 | 74.9 Ų | 74.9 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -60.3 | 140.5 | 178.8 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | E1164 I1165 | E1164-S1168 PolarHBondContact O-N 2.78Å; I1165-S1168 PolarHBondContact O-N 2.91Å; I1165-S1168 PolarHBondContact O-OG 2.83Å |
| 1169 | D | 62.6 | Low | 59 | Low | 117 Ų | 117 | 79.9 Ų | 79.9 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | trans | -71.3 | 148.7 | -178.5 | -90.7 | -24.6 | 0 | 0 | 0 | 112.2 | N1171 D1172 | D1169-N1171 PolarHBondContact O-N 3.38Å; D1169-D1172 PolarHBondContact O-N 2.86Å | ||
| 1170 | D | 60.3 | Low | 56.8 | Low | 43 Ų | 43 | 87.4 Ų | 87.4 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.6 | -179.6 | -75.7 | -15.1 | 0 | 0 | 0 | 113 | R1196 S1248 K1249 | D1170-R1196 IonicContact OD1-NH1 2.71Å; D1170-R1196 PolarHBondContact OD1-NH1 3.28Å; D1170-R1196 VanDerWaalsContact OD1-NH1 3.11Å; D1170-S1248 VanDerWaalsContact CG-OG 3.27Å; D1170-S1248 PolarHBondContact OD1-OG 3.42Å; D1170-S1248 WeakPolarHBondContact OD2-CA 3.2Å; D1170-S1248 PolarHBondContact OD2-OG 3.29Å; D1170-K1249 PolarHBondContact OD2-N 2.66Å |
| 1171 | N | 52.9 | Low | 54.5 | Low | 128 Ų | 128 | 88.2 Ų | 88.2 | 68% | 0.684 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -13.1 | -176.4 | -72.7 | -17.5 | 0 | 0 | 0 | 114.9 | D1169 V1173 Y1174 | D1169-N1171 PolarHBondContact O-N 3.38Å; N1171-V1173 PolarHBondContact O-N 3.18Å; N1171-Y1174 PolarHBondContact O-N 3.03Å; N1171-Y1174 VanDerWaalsContact O-N 3.14Å |
| 1172 | D | 44.7 | Very low | 52.3 | Low | 73 Ų | 73 | 92.5 Ų | 92.5 | 39% | 0.39 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.8 | -5.6 | -170 | -90.7 | -16.6 | 0 | 0 | 0 | 114.8 | D1169 Y1174 | D1169-D1172 PolarHBondContact O-N 2.86Å; D1172-Y1174 VanDerWaalsContact C-N 3.32Å |
| 1173 | V | 43.9 | Very low | 49.9 | Very low | 106 Ų | 106 | 99.1 Ų | 99.1 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -75.3 | -21.7 | 172.8 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | N1171 | N1171-V1173 PolarHBondContact O-N 3.18Å |
| 1174 | Y | 34.7 | Very low | 47.3 | Very low | 203 Ų | 203 | 104.9 Ų | 104.9 | 80% | 0.796 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -97.1 | -29.6 | 178.6 | -97.1 | -81 | 0 | 0 | 0 | 114.8 | N1171 D1172 | N1171-Y1174 PolarHBondContact O-N 3.03Å; N1171-Y1174 VanDerWaalsContact O-N 3.14Å; D1172-Y1174 VanDerWaalsContact C-N 3.32Å |
| 1175 | N | 32.1 | Very low | 45.3 | Very low | 129 Ų | 129 | 104.6 Ų | 104.6 | 69% | 0.69 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -97.6 | -21.7 | -173.6 | -77.5 | -10.6 | 0 | 0 | 0 | 115.2 | V1177 | N1175-V1177 PolarHBondContact O-N 3.14Å |
| 1176 | N | 30.4 | Very low | 43.3 | Very low | 97 Ų | 97 | 107.1 Ų | 107.1 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -77.5 | 5.1 | 172.4 | -97.1 | -21.6 | 0 | 0 | 0 | 113.8 | N1178 N1179 | N1176-N1178 PolarHBondContact O-N 2.74Å; N1176-N1178 VanDerWaalsContact O-N 3.15Å; N1176-N1179 PolarHBondContact O-N 3.48Å |
| 1177 | V | 35 | Very low | 41 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -63.7 | -12.6 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | N1175 N1179 | N1175-V1177 PolarHBondContact O-N 3.14Å; V1177-N1179 VanDerWaalsContact C-N 3.3Å; V1177-N1179 PolarHBondContact O-N 3.29Å |
| 1178 | N | 31.8 | Very low | 39.3 | Very low | 147 Ų | 147 | 114.3 Ų | 114.3 | 79% | 0.786 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -80.5 | -1.6 | 171 | -82 | -5.4 | 0 | 0 | 0 | 115.1 | N1176 | N1176-N1178 PolarHBondContact O-N 2.74Å; N1176-N1178 VanDerWaalsContact O-N 3.15Å |
| 1179 | N | 32.6 | Very low | 38 | Very low | 115 Ų | 115 | 119 Ų | 119 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -105.9 | 69.4 | 169.5 | -77.3 | -15.3 | 0 | 0 | 0 | 111 | N1176 V1177 T1181 | N1176-N1179 PolarHBondContact O-N 3.48Å; V1177-N1179 VanDerWaalsContact C-N 3.3Å; V1177-N1179 PolarHBondContact O-N 3.29Å; N1179-T1181 PolarHBondContact O-N 3.24Å; N1179-T1181 PolarHBondContact O-OG1 3.47Å |
| 1180 | N | 29.5 | Very low | 37.2 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 32.5 | 16.8 | 155.7 | -74.6 | -9.6 | 0 | 0 | 0 | 121.6 | ||
| 1181 | T | 31.2 | Very low | 36.8 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 56% | 0.558 | 68% | 0.678 | S | S | * | * | trans | -111.7 | 82.8 | 174.2 | 42.4 | 0 | 0 | 0 | 0 | 107.7 | N1179 H1183 | N1179-T1181 PolarHBondContact O-N 3.24Å; N1179-T1181 PolarHBondContact O-OG1 3.47Å; T1181-H1183 VanDerWaalsContact C-N 3.29Å; T1181-H1183 PolarHBondContact O-N 3.05Å | ||
| 1182 | T | 25.5 | Very low | 37.1 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | -60.7 | 85.2 | 173.1 | 39.7 | 0 | 0 | 0 | 0 | 110.3 | T1184 | T1182-T1184 PolarHBondContact O-N 2.99Š| ||
| 1183 | H | 31 | Very low | 38 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 64% | 0.644 | 65% | 0.646 | S | S | * | * | trans | -70.5 | 88.4 | 165.2 | -80.2 | -73.9 | 0 | 0 | 0 | 108.7 | T1181 I1185 | T1181-H1183 VanDerWaalsContact C-N 3.29Å; T1181-H1183 PolarHBondContact O-N 3.05Å; H1183-I1185 PolarHBondContact O-N 3.17Å | ||
| 1184 | T | 28.5 | Very low | 39.2 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 77% | 0.767 | 62% | 0.623 | S | S | * | * | trans | -68.3 | 74.6 | 172.5 | 36.9 | 0 | 0 | 0 | 0 | 109.8 | T1182 S1186 | T1182-T1184 PolarHBondContact O-N 2.99Å; T1184-S1186 VanDerWaalsContact C-N 3.27Å; T1184-S1186 PolarHBondContact O-N 2.76Å; T1184-S1186 VanDerWaalsContact O-N 3.08Å | ||
| 1185 | I | 38.2 | Very low | 40.9 | Very low | 118 Ų | 118 | 107.8 Ų | 107.8 | 61% | 0.605 | 61% | 0.611 | S | S | * | * | trans | -80.5 | 89.9 | 163.8 | -57.1 | 177.7 | 0 | 0 | 0 | 106.1 | H1183 | H1183-I1185 PolarHBondContact O-N 3.17Š| ||
| 1186 | S | 34.4 | Very low | 43 | Very low | 93 Ų | 93 | 102.5 Ų | 102.5 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | trans | -55.4 | 144 | 176.4 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | T1184 S1188 | T1184-S1186 VanDerWaalsContact C-N 3.27Å; T1184-S1186 PolarHBondContact O-N 2.76Å; T1184-S1186 VanDerWaalsContact O-N 3.08Å; S1186-S1188 PolarHBondContact O-N 3.42Å; S1186-S1188 VanDerWaalsContact O-N 3.09Å | ||
| 1187 | D | 34.3 | Very low | 45.2 | Very low | 170 Ų | 170 | 97.9 Ų | 97.9 | 91% | 0.909 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -19.2 | 101.1 | 168.7 | -62.9 | -38.9 | 0 | 0 | 0 | 114.7 | ||
| 1188 | S | 42.9 | Very low | 47 | Very low | 75 Ų | 75 | 93.6 Ų | 93.6 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | trans | -156.5 | 134 | 158.7 | 51 | 0 | 0 | 0 | 0 | 110.8 | S1186 T1190 | S1186-S1188 PolarHBondContact O-N 3.42Å; S1186-S1188 VanDerWaalsContact O-N 3.09Å; S1188-T1190 PolarHBondContact O-N 2.99Å; S1188-T1190 PolarHBondContact OG-OG1 3.41Å | ||
| 1189 | T | 42.4 | Very low | 49.3 | Very low | 143 Ų | 143 | 86.7 Ų | 86.7 | 88% | 0.877 | 49% | 0.493 | S | S | * | . | trans | -62.1 | 16.7 | 177.3 | 45.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1190 | T | 43.9 | Very low | 51.7 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 45% | 0.454 | 46% | 0.463 | S | S | . | . | trans | -87 | 110.4 | 176.6 | 41.7 | 0 | 0 | 0 | 0 | 110.7 | S1188 H1192 | S1188-T1190 PolarHBondContact O-N 2.99Å; S1188-T1190 PolarHBondContact OG-OG1 3.41Å; T1190-H1192 PolarHBondContact O-CD2 3.32Å; T1190-H1192 PolarHBondContact O-N 2.92Å; T1190-H1192 PolarHBondContact O-NE2 2.96Å; T1190-H1192 PolarHBondContact OG1-CE1 2.91Å; T1190-H1192 PolarHBondContact OG1-NE2 3.17Å; T1190-H1192 VanDerWaalsContact OG1-NE2 3.12Å | ||
| 1191 | L | 52.7 | Low | 54.2 | Low | 169 Ų | 169 | 74.4 Ų | 74.4 | 89% | 0.885 | 43% | 0.427 | S | S | * | . | trans | -59.1 | 109.8 | 168.9 | -77.2 | 156 | 0 | 0 | 0 | 109.6 | ||||
| 1192 | H | 59.5 | Low | 56.4 | Low | 63 Ų | 63 | 70.2 Ų | 70.2 | 29% | 0.292 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 140.6 | 174.7 | -65 | -63.7 | 0 | 0 | 0 | 110.6 | Y1123 T1190 | Y1123-H1192 WeakPolarHBondContact O-CA 3.25Å; T1190-H1192 PolarHBondContact O-CD2 3.32Å; T1190-H1192 PolarHBondContact O-N 2.92Å; T1190-H1192 PolarHBondContact O-NE2 2.96Å; T1190-H1192 PolarHBondContact OG1-CE1 2.91Å; T1190-H1192 PolarHBondContact OG1-NE2 3.17Å; T1190-H1192 VanDerWaalsContact OG1-NE2 3.12Å |
| 1193 | D | 63.9 | Low | 59.3 | Low | 22 Ų | 22 | 64.3 Ų | 64.3 | 12% | 0.118 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 138.6 | 169.8 | -77.5 | -45.3 | 0 | 0 | 0 | 109 | Y1123 R1128 V1197 N1252 | Y1123-D1193 PolarHBondContact O-N 3.33Å; R1128-D1193 IonicContact CZ-OD2 3.74Å; R1128-D1193 IonicContact NE-OD2 3.55Å; R1128-D1193 PolarHBondContact NE-OD2 2.92Å; R1128-D1193 VanDerWaalsContact NH2-CG 3.33Å; R1128-D1193 IonicContact NH2-OD1 2.68Å; R1128-D1193 PolarHBondContact NH2-OD1 3.45Å; R1128-D1193 IonicContact NH2-OD2 3.61Å; R1128-D1193 PolarHBondContact NH2-OD2 3.12Å; D1193-V1197 HydrophobicContact CB-CB 4.07Å; D1193-V1197 HydrophobicContact CB-CG1 4.17Å; D1193-V1197 HydrophobicContact CB-CG2 4.49Å; D1193-N1252 PolarHBondContact OD1-ND2 3.38Å |
| 1194 | P | 68 | Low | 61.8 | Low | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.156 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 151.5 | 174.2 | 26.2 | -30.2 | 0 | 0 | 0 | 110.2 | R1196 V1197 K1250 N1252 V1253 | P1194-R1196 PolarHBondContact O-N 3.31Å; P1194-V1197 HydrophobicContact CG-CG2 3.8Å; P1194-V1197 PolarHBondContact O-N 2.98Å; P1194-K1250 HydrophobicContact CG-CD 4.1Å; P1194-N1252 WeakPolarHBondContact CD-ND2 3.42Å; P1194-V1253 HydrophobicContact CG-CG2 4.08Å |
| 1195 | P | 70.4 | Confident | 64.1 | Low | 83 Ų | 83 | 54.5 Ų | 54.5 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -49.3 | -32.6 | -177 | -29.2 | 34.7 | 0 | 0 | 0 | 113.9 | I1165 V1197 F1198 A1199 | I1165-P1195 HydrophobicContact CG2-CB 4.02Å; P1195-V1197 PolarHBondContact O-N 3.45Å; P1195-F1198 WeakPolarHBondContact O-CB 3.43Å; P1195-F1198 PolarHBondContact O-N 3.37Å; P1195-A1199 PolarHBondContact O-N 2.7Å |
| 1196 | R | 78.1 | Confident | 66.2 | Low | 18 Ų | 18 | 48.9 Ų | 48.9 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 176 | -157.2 | 174 | -176.5 | -162 | 5.3 | 114.5 | T1166 D1170 P1194 F1198 A1199 L1200 P1244 V1253 | T1166-R1196 PolarHBondContact O-NE 3.3Å; T1166-R1196 PolarHBondContact O-NH2 3.09Å; D1170-R1196 IonicContact OD1-NH1 2.71Å; D1170-R1196 PolarHBondContact OD1-NH1 3.28Å; D1170-R1196 VanDerWaalsContact OD1-NH1 3.11Å; P1194-R1196 PolarHBondContact O-N 3.31Å; R1196-F1198 VanDerWaalsContact C-N 3.28Å; R1196-F1198 PolarHBondContact O-N 2.9Å; R1196-A1199 PolarHBondContact O-N 3.43Å; R1196-L1200 WeakPolarHBondContact O-CG 3.27Å; R1196-L1200 PolarHBondContact O-N 3.17Å; R1196-L1200 VanDerWaalsContact O-N 3.1Å; R1196-P1244 PolarHBondContact NH2-O 3.5Å; R1196-V1253 HydrophobicContact CB-CG2 4.31Å; R1196-V1253 HydrophobicContact CG-CG1 3.99Å |
| 1197 | V | 75.8 | Confident | 68.4 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | D1193 P1194 P1195 L1200 H1201 N1252 V1253 | D1193-V1197 HydrophobicContact CB-CB 4.07Å; D1193-V1197 HydrophobicContact CB-CG1 4.17Å; D1193-V1197 HydrophobicContact CB-CG2 4.49Å; P1194-V1197 HydrophobicContact CG-CG2 3.8Å; P1194-V1197 PolarHBondContact O-N 2.98Å; P1195-V1197 PolarHBondContact O-N 3.45Å; V1197-L1200 PolarHBondContact O-N 2.76Å; V1197-H1201 PolarHBondContact O-N 2.83Å; V1197-H1201 VanDerWaalsContact O-N 3.16Å; V1197-H1201 PolarHBondContact O-ND1 2.9Å; V1197-N1252 HydrophobicContact CG1-CB 4.43Å; V1197-N1252 HydrophobicContact CG2-CB 3.9Å; V1197-V1253 HydrophobicContact CG2-CB 4.25Å; V1197-V1253 HydrophobicContact CG2-CG2 3.53Å |
| 1198 | F | 73 | Confident | 70.3 | Confident | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | -178.7 | -174.8 | -104.9 | 0 | 0 | 0 | 111.4 | L1118 Y1123 L1132 P1195 R1196 L1200 H1201 L1202 | L1118-F1198 HydrophobicContact CB-CE1 3.95Å; L1118-F1198 HydrophobicContact CD1-CE1 4.13Å; L1118-F1198 HydrophobicContact CD2-CE1 3.48Å; L1118-F1198 VanDerWaalsContact CD2-CE1 3.48Å; L1118-F1198 HydrophobicContact CD2-CZ 3.37Å; L1118-F1198 HydrophobicContact CG-CE1 4.01Å; L1118-F1198 HydrophobicContact CG-CZ 4.34Å; Y1123-F1198 HydrophobicContact CD1-CD2 4.19Å; Y1123-F1198 AromaticContact CD1-CE2 3.85Å; Y1123-F1198 HydrophobicContact CD1-CE2 3.85Å; Y1123-F1198 HydrophobicContact CD1-CZ 4.4Å; Y1123-F1198 HydrophobicContact CD2-CD1 4.23Å; Y1123-F1198 AromaticContact CD2-CD2 3.95Å; Y1123-F1198 HydrophobicContact CD2-CD2 3.95Å; Y1123-F1198 HydrophobicContact CD2-CE1 4.35Å; Y1123-F1198 HydrophobicContact CD2-CE2 4.11Å; Y1123-F1198 HydrophobicContact CD2-CG 4.02Å; Y1123-F1198 HydrophobicContact CD2-CZ 4.33Å; Y1123-F1198 AromaticContact CE1-CE2 3.98Å; Y1123-F1198 HydrophobicContact CE1-CE2 3.98Å; Y1123-F1198 HydrophobicContact CE1-CZ 4.1Å; Y1123-F1198 HydrophobicContact CE2-CD1 4.25Å; Y1123-F1198 HydrophobicContact CE2-CD2 4.45Å; Y1123-F1198 HydrophobicContact CE2-CE1 4.01Å; Y1123-F1198 HydrophobicContact CE2-CE2 4.24Å; Y1123-F1198 HydrophobicContact CE2-CG 4.47Å; Y1123-F1198 HydrophobicContact CE2-CZ 4.03Å; Y1123-F1198 AromaticContact CG-CD2 3.83Å; Y1123-F1198 HydrophobicContact CG-CD2 3.83Å; Y1123-F1198 AromaticContact CG-CE2 3.94Å; Y1123-F1198 HydrophobicContact CG-CE2 3.94Å; Y1123-F1198 HydrophobicContact CG-CG 4.34Å; Y1123-F1198 AromaticContact CZ-CZ 3.93Å; L1132-F1198 HydrophobicContact CD1-CE2 4.29Å; P1195-F1198 WeakPolarHBondContact O-CB 3.43Å; P1195-F1198 PolarHBondContact O-N 3.37Å; R1196-F1198 VanDerWaalsContact C-N 3.28Å; R1196-F1198 PolarHBondContact O-N 2.9Å; F1198-L1200 VanDerWaalsContact C-N 3.32Å; F1198-L1200 PolarHBondContact O-N 2.92Å; F1198-H1201 PolarHBondContact O-N 2.78Å; F1198-L1202 HydrophobicContact CD1-CD1 3.79Å; F1198-L1202 HydrophobicContact CD1-CG 4.39Å; F1198-L1202 HydrophobicContact CE1-CD1 3.27Å; F1198-L1202 HydrophobicContact CE1-CG 3.89Å; F1198-L1202 HydrophobicContact CZ-CD1 3.83Å; F1198-L1202 HydrophobicContact CZ-CD2 4.37Å; F1198-L1202 HydrophobicContact CZ-CG 4Å; F1198-L1202 PolarHBondContact O-N 3.21Å |
| 1199 | A | 79.2 | Confident | 71.6 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1162 I1165 T1166 P1195 R1196 H1201 L1202 L1203 | L1162-A1199 HydrophobicContact CD2-CB 3.7Å; I1165-A1199 HydrophobicContact CB-CB 4.18Å; I1165-A1199 HydrophobicContact CG2-CB 3.79Å; T1166-A1199 HydrophobicContact CG2-CB 3.71Å; P1195-A1199 PolarHBondContact O-N 2.7Å; R1196-A1199 PolarHBondContact O-N 3.43Å; A1199-H1201 PolarHBondContact O-N 3.31Å; A1199-L1202 PolarHBondContact O-N 3.01Å; A1199-L1203 WeakPolarHBondContact O-CG 3.39Å; A1199-L1203 PolarHBondContact O-N 3.12Å |
| 1200 | L | 84.2 | Confident | 72.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.5 | -71.3 | 165.1 | 0 | 0 | 0 | 112.8 | T1166 R1196 V1197 F1198 H1204 A1241 V1253 A1257 L1260 | T1166-L1200 HydrophobicContact CG2-CD2 3.89Å; T1166-L1200 HydrophobicContact CG2-CG 3.96Å; R1196-L1200 WeakPolarHBondContact O-CG 3.27Å; R1196-L1200 PolarHBondContact O-N 3.17Å; R1196-L1200 VanDerWaalsContact O-N 3.1Å; V1197-L1200 PolarHBondContact O-N 2.76Å; F1198-L1200 VanDerWaalsContact C-N 3.32Å; F1198-L1200 PolarHBondContact O-N 2.92Å; L1200-H1204 WeakPolarHBondContact O-CB 3.46Å; L1200-H1204 PolarHBondContact O-N 3.25Å; L1200-A1241 HydrophobicContact CD2-CB 3.98Å; L1200-V1253 HydrophobicContact CD1-CG1 3.81Å; L1200-V1253 VanDerWaalsContact CD1-O 3.28Å; L1200-V1253 WeakPolarHBondContact CD1-O 3.42Å; L1200-A1257 HydrophobicContact CD1-CB 4.15Å; L1200-A1257 HydrophobicContact CD2-CB 4.25Å; L1200-L1260 HydrophobicContact CD2-CD2 4.02Å |
| 1201 | H | 80.5 | Confident | 73.6 | Confident | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.4 | -37.3 | 177 | -71.2 | 80.7 | 0 | 0 | 0 | 111.9 | R1128 L1132 V1197 F1198 A1199 H1204 G1205 | R1128-H1201 PolarHBondContact NH1-CE1 2.91Å; R1128-H1201 PolarHBondContact NH1-NE2 3.26Å; R1128-H1201 VanDerWaalsContact NH1-NE2 3.14Å; L1132-H1201 HydrophobicContact CD1-CB 3.88Å; L1132-H1201 WeakPolarHBondContact CD2-O 3.06Å; V1197-H1201 PolarHBondContact O-N 2.83Å; V1197-H1201 VanDerWaalsContact O-N 3.16Å; V1197-H1201 PolarHBondContact O-ND1 2.9Å; F1198-H1201 PolarHBondContact O-N 2.78Å; A1199-H1201 PolarHBondContact O-N 3.31Å; H1201-H1204 WeakPolarHBondContact O-CB 3.49Å; H1201-H1204 PolarHBondContact O-N 3.23Å; H1201-G1205 PolarHBondContact O-N 2.94Å |
| 1202 | L | 78.8 | Confident | 74.3 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -48.6 | 173.3 | -84.7 | 174.4 | 0 | 0 | 0 | 111.3 | W1115 L1118 L1132 V1135 L1162 F1198 A1199 H1204 G1205 L1206 | W1115-L1202 HydrophobicContact CZ3-CD1 4.19Å; L1118-L1202 HydrophobicContact CD1-CD1 3.74Å; L1132-L1202 HydrophobicContact CD2-CD2 4.04Å; L1132-L1202 HydrophobicContact CG-CD2 3.87Å; L1132-L1202 HydrophobicContact CG-CG 4.33Å; V1135-L1202 HydrophobicContact CB-CD2 4.05Å; V1135-L1202 HydrophobicContact CG1-CD2 3.87Å; L1162-L1202 HydrophobicContact CD1-CB 4.39Å; L1162-L1202 HydrophobicContact CD2-CB 3.93Å; L1162-L1202 HydrophobicContact CD2-CD1 3.91Å; F1198-L1202 HydrophobicContact CD1-CD1 3.79Å; F1198-L1202 HydrophobicContact CD1-CG 4.39Å; F1198-L1202 HydrophobicContact CE1-CD1 3.27Å; F1198-L1202 HydrophobicContact CE1-CG 3.89Å; F1198-L1202 HydrophobicContact CZ-CD1 3.83Å; F1198-L1202 HydrophobicContact CZ-CD2 4.37Å; F1198-L1202 HydrophobicContact CZ-CG 4Å; F1198-L1202 PolarHBondContact O-N 3.21Å; A1199-L1202 PolarHBondContact O-N 3.01Å; L1202-H1204 VanDerWaalsContact C-N 3.3Å; L1202-H1204 PolarHBondContact O-N 2.68Å; L1202-G1205 PolarHBondContact O-N 3.37Å; L1202-G1205 VanDerWaalsContact O-N 3.15Å; L1202-L1206 VanDerWaalsContact O-CG 3.27Å; L1202-L1206 WeakPolarHBondContact O-CG 3.24Å; L1202-L1206 PolarHBondContact O-N 3.09Å |
| 1203 | L | 85.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.1 | -47 | 173.5 | -73 | 169 | 0 | 0 | 0 | 110.4 | L1159 L1162 F1163 T1166 A1199 G1205 L1206 F1207 A1241 L1260 | L1159-L1203 HydrophobicContact CD2-CD2 3.91Å; L1162-L1203 HydrophobicContact CB-CD1 4.37Å; L1162-L1203 HydrophobicContact CB-CD2 3.97Å; L1162-L1203 HydrophobicContact CB-CG 4.12Å; L1162-L1203 HydrophobicContact CD1-CD2 3.85Å; L1162-L1203 HydrophobicContact CD1-CG 4.13Å; L1162-L1203 HydrophobicContact CG-CD2 4.47Å; F1163-L1203 HydrophobicContact CD1-CD1 4.04Å; F1163-L1203 HydrophobicContact CD1-CD2 4.49Å; F1163-L1203 HydrophobicContact CE1-CD1 3.7Å; F1163-L1203 HydrophobicContact CE1-CD2 3.75Å; F1163-L1203 HydrophobicContact CE1-CG 4.4Å; F1163-L1203 HydrophobicContact CE2-CD2 4.47Å; F1163-L1203 HydrophobicContact CZ-CD2 3.75Å; T1166-L1203 HydrophobicContact CG2-CD1 3.99Å; A1199-L1203 WeakPolarHBondContact O-CG 3.39Å; A1199-L1203 PolarHBondContact O-N 3.12Å; L1203-G1205 VanDerWaalsContact C-N 3.34Å; L1203-G1205 PolarHBondContact O-N 3.42Å; L1203-L1206 PolarHBondContact O-N 3.11Å; L1203-L1206 VanDerWaalsContact O-N 3.14Å; L1203-F1207 HydrophobicContact CD2-CE2 4.19Å; L1203-F1207 VanDerWaalsContact O-CD2 3.28Å; L1203-F1207 WeakPolarHBondContact O-CD2 3.35Å; L1203-F1207 PolarHBondContact O-N 3.28Å; L1203-A1241 HydrophobicContact CD1-CB 3.65Å; L1203-L1260 HydrophobicContact CB-CD1 3.98Å; L1203-L1260 HydrophobicContact CB-CD2 3.84Å; L1203-L1260 HydrophobicContact CD1-CD2 4.03Å |
| 1204 | H | 84.6 | Confident | 75.3 | Confident | 49 Ų | 49 | 30 Ų | 30 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 176.4 | 173.2 | -99.7 | 0 | 0 | 0 | 111.9 | L1200 H1201 L1202 L1206 F1207 T1208 Q1259 L1260 | L1200-H1204 WeakPolarHBondContact O-CB 3.46Å; L1200-H1204 PolarHBondContact O-N 3.25Å; H1201-H1204 WeakPolarHBondContact O-CB 3.49Å; H1201-H1204 PolarHBondContact O-N 3.23Å; L1202-H1204 VanDerWaalsContact C-N 3.3Å; L1202-H1204 PolarHBondContact O-N 2.68Å; H1204-L1206 PolarHBondContact O-N 3.03Å; H1204-F1207 PolarHBondContact O-N 3.09Å; H1204-T1208 WeakPolarHBondContact O-CB 3.21Å; H1204-T1208 VanDerWaalsContact O-CG2 3.26Å; H1204-T1208 WeakPolarHBondContact O-CG2 3.38Å; H1204-T1208 PolarHBondContact O-N 3.31Å; H1204-T1208 PolarHBondContact O-OG1 3.41Å; H1204-Q1259 PolarHBondContact CD2-O 3.49Å; H1204-Q1259 VanDerWaalsContact CD2-O 3.31Å; H1204-L1260 HydrophobicContact CB-CB 4.4Å; H1204-L1260 HydrophobicContact CB-CD1 4.4Å |
| 1205 | G | 76.7 | Confident | 75.4 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 8% | 0.082 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H1201 L1202 L1203 T1208 D1209 | H1201-G1205 PolarHBondContact O-N 2.94Å; L1202-G1205 PolarHBondContact O-N 3.37Å; L1202-G1205 VanDerWaalsContact O-N 3.15Å; L1203-G1205 VanDerWaalsContact C-N 3.34Å; L1203-G1205 PolarHBondContact O-N 3.42Å; G1205-T1208 WeakPolarHBondContact CA-OG1 3.46Å; G1205-T1208 PolarHBondContact O-OG1 3.28Å; G1205-D1209 PolarHBondContact O-N 3.1Å; G1205-D1209 VanDerWaalsContact O-N 3.16Å |
| 1206 | L | 80.4 | Confident | 75.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.5 | -41.4 | 178.4 | -68.1 | 173 | 0 | 0 | 0 | 112.5 | C1139 L1159 L1162 L1202 L1203 H1204 L1212 V1214 | C1139-L1206 HydrophobicContact CB-CD2 4.19Å; L1159-L1206 HydrophobicContact CD2-CD1 4.04Å; L1162-L1206 HydrophobicContact CD1-CD1 3.71Å; L1202-L1206 VanDerWaalsContact O-CG 3.27Å; L1202-L1206 WeakPolarHBondContact O-CG 3.24Å; L1202-L1206 PolarHBondContact O-N 3.09Å; L1203-L1206 PolarHBondContact O-N 3.11Å; L1203-L1206 VanDerWaalsContact O-N 3.14Å; H1204-L1206 PolarHBondContact O-N 3.03Å; L1206-L1212 HydrophobicContact CD2-CD1 3.52Å; L1206-V1214 HydrophobicContact CB-CG2 4.21Å; L1206-V1214 VanDerWaalsContact O-CG2 3.32Å; L1206-V1214 WeakPolarHBondContact O-CG2 3.41Å |
| 1207 | F | 81 | Confident | 75 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.2 | -26.8 | 179.5 | -84.6 | -87 | 0 | 0 | 0 | 113.3 | F1163 L1203 H1204 V1214 W1233 A1237 L1260 L1264 | F1163-F1207 HydrophobicContact CZ-CE2 4.44Å; L1203-F1207 HydrophobicContact CD2-CE2 4.19Å; L1203-F1207 VanDerWaalsContact O-CD2 3.28Å; L1203-F1207 WeakPolarHBondContact O-CD2 3.35Å; L1203-F1207 PolarHBondContact O-N 3.28Å; H1204-F1207 PolarHBondContact O-N 3.09Å; F1207-V1214 HydrophobicContact CD1-CB 4.44Å; F1207-V1214 HydrophobicContact CD1-CG1 4.45Å; F1207-V1214 HydrophobicContact CE1-CB 4.44Å; F1207-V1214 HydrophobicContact CE1-CG1 4.03Å; F1207-V1214 HydrophobicContact CE2-CG1 4.14Å; F1207-V1214 HydrophobicContact CZ-CG1 3.86Å; F1207-W1233 HydrophobicContact CE1-CB 4.33Å; F1207-W1233 HydrophobicContact CZ-CB 3.96Å; F1207-W1233 WeakPolarHBondContact CZ-O 3.24Å; F1207-A1237 HydrophobicContact CE2-CB 3.81Å; F1207-A1237 HydrophobicContact CZ-CB 3.69Å; F1207-L1260 HydrophobicContact CD2-CD1 4.13Å; F1207-L1264 HydrophobicContact CB-CD2 4.42Å; F1207-L1264 HydrophobicContact CD1-CD2 3.42Å; F1207-L1264 VanDerWaalsContact CD1-CD2 3.42Å; F1207-L1264 HydrophobicContact CD2-CD2 4.31Å; F1207-L1264 HydrophobicContact CE1-CD2 3.61Å; F1207-L1264 HydrophobicContact CE2-CD2 4.48Å; F1207-L1264 HydrophobicContact CG-CD2 3.81Å; F1207-L1264 HydrophobicContact CZ-CD2 4.15Å |
| 1208 | T | 74.4 | Confident | 74.4 | Confident | 65 Ų | 65 | 35.9 Ų | 35.9 | 40% | 0.399 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -83.1 | -30 | 178.3 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | H1204 G1205 S1210 A1263 | H1204-T1208 WeakPolarHBondContact O-CB 3.21Å; H1204-T1208 VanDerWaalsContact O-CG2 3.26Å; H1204-T1208 WeakPolarHBondContact O-CG2 3.38Å; H1204-T1208 PolarHBondContact O-N 3.31Å; H1204-T1208 PolarHBondContact O-OG1 3.41Å; G1205-T1208 WeakPolarHBondContact CA-OG1 3.46Å; G1205-T1208 PolarHBondContact O-OG1 3.28Å; T1208-S1210 PolarHBondContact O-N 2.95Å; T1208-A1263 HydrophobicContact CG2-CB 3.63Å |
| 1209 | D | 70.8 | Confident | 74.2 | Confident | 26 Ų | 26 | 36 Ų | 36 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | trans | -69.8 | 104.6 | 177.3 | -161.7 | -46.5 | 0 | 0 | 0 | 111.5 | G1205 R1211 L1212 | G1205-D1209 PolarHBondContact O-N 3.1Å; G1205-D1209 VanDerWaalsContact O-N 3.16Å; D1209-R1211 PolarHBondContact O-N 3.3Å; D1209-R1211 VanDerWaalsContact OD1-CB 3.25Å; D1209-R1211 WeakPolarHBondContact OD1-CB 3.25Å; D1209-R1211 IonicContact OD1-CZ 3.86Å; D1209-R1211 PolarHBondContact OD1-N 3.43Å; D1209-R1211 IonicContact OD1-NE 3.21Å; D1209-R1211 PolarHBondContact OD1-NE 3.17Å; D1209-R1211 IonicContact OD1-NH2 3.81Å; D1209-R1211 IonicContact OD2-CZ 3.64Å; D1209-R1211 IonicContact OD2-NE 3.82Å; D1209-R1211 PolarHBondContact OD2-NE 3.26Å; D1209-R1211 IonicContact OD2-NH2 3.5Å; D1209-R1211 PolarHBondContact OD2-NH2 3.38Å; D1209-L1212 HydrophobicContact CB-CD1 4.2Å; D1209-L1212 HydrophobicContact CB-CG 4.36Å; D1209-L1212 PolarHBondContact O-N 3.39Å; D1209-L1212 VanDerWaalsContact O-N 3.08Å | ||
| 1210 | S | 62 | Low | 73.3 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 54% | 0.538 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.1 | -180 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | T1208 R1213 | T1208-S1210 PolarHBondContact O-N 2.95Å; S1210-R1213 WeakPolarHBondContact O-CG 3.45Å |
| 1211 | R | 65.9 | Low | 71.9 | Confident | 123 Ų | 123 | 42.6 Ų | 42.6 | 46% | 0.464 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -29.1 | 179.6 | -60.6 | 169 | -68.7 | -174 | -4.9 | 112 | L1140 K1143 D1209 | L1140-R1211 VanDerWaalsContact CD1-CZ 3.48Å; L1140-R1211 VanDerWaalsContact CD1-NH2 3.26Å; L1140-R1211 HydrophobicContact CD2-CB 3.63Å; K1143-R1211 WeakPolarHBondContact CD-O 3.18Å; K1143-R1211 WeakPolarHBondContact CE-O 3.46Å; K1143-R1211 PolarHBondContact NZ-O 3.35Å; D1209-R1211 PolarHBondContact O-N 3.3Å; D1209-R1211 VanDerWaalsContact OD1-CB 3.25Å; D1209-R1211 WeakPolarHBondContact OD1-CB 3.25Å; D1209-R1211 IonicContact OD1-CZ 3.86Å; D1209-R1211 PolarHBondContact OD1-N 3.43Å; D1209-R1211 IonicContact OD1-NE 3.21Å; D1209-R1211 PolarHBondContact OD1-NE 3.17Å; D1209-R1211 IonicContact OD1-NH2 3.81Å; D1209-R1211 IonicContact OD2-CZ 3.64Å; D1209-R1211 IonicContact OD2-NE 3.82Å; D1209-R1211 PolarHBondContact OD2-NE 3.26Å; D1209-R1211 IonicContact OD2-NH2 3.5Å; D1209-R1211 PolarHBondContact OD2-NH2 3.38Å |
| 1212 | L | 68.1 | Low | 70.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -34.9 | 179.6 | -69.7 | 175.1 | 0 | 0 | 0 | 111.8 | C1139 L1140 K1143 L1206 D1209 V1214 H1217 | C1139-L1212 HydrophobicContact CB-CD1 4.16Å; C1139-L1212 HydrophobicContact CB-CD2 3.85Å; L1140-L1212 HydrophobicContact CD2-CD2 3.71Å; L1140-L1212 HydrophobicContact CD2-CG 3.87Å; L1140-L1212 HydrophobicContact CG-CD2 4.03Å; L1140-L1212 HydrophobicContact CG-CG 4.33Å; K1143-L1212 HydrophobicContact CD-CD2 4.33Å; K1143-L1212 PolarHBondContact NZ-O 3.03Å; L1206-L1212 HydrophobicContact CD2-CD1 3.52Å; D1209-L1212 HydrophobicContact CB-CD1 4.2Å; D1209-L1212 HydrophobicContact CB-CG 4.36Å; D1209-L1212 PolarHBondContact O-N 3.39Å; D1209-L1212 VanDerWaalsContact O-N 3.08Å; L1212-V1214 VanDerWaalsContact C-N 3.29Å; L1212-V1214 HydrophobicContact CB-CG2 3.94Å; L1212-V1214 PolarHBondContact O-N 3.4Å; L1212-H1217 PolarHBondContact O-NE2 2.91Å |
| 1213 | R | 69.9 | Low | 68.6 | Low | 117 Ų | 117 | 52.7 Ų | 52.7 | 44% | 0.442 | 27% | 0.271 | S | S | . | . | trans | 52.9 | 43.5 | 179.8 | -54.9 | -165.8 | -174 | -175.4 | -3.3 | 113.2 | S1210 H1215 E1216 H1217 | S1210-R1213 WeakPolarHBondContact O-CG 3.45Å; R1213-H1215 PolarHBondContact O-N 3.48Å; R1213-H1215 VanDerWaalsContact O-N 3.09Å; R1213-E1216 HydrophobicContact CB-CB 4.33Å; R1213-E1216 HydrophobicContact CB-CG 4.22Å; R1213-E1216 VanDerWaalsContact CD-CD 3.44Å; R1213-E1216 WeakPolarHBondContact CD-OE1 3.29Å; R1213-E1216 WeakPolarHBondContact CD-OE2 3.23Å; R1213-E1216 IonicContact CZ-OE2 2.71Å; R1213-E1216 IonicContact NE-OE2 3.99Å; R1213-E1216 IonicContact NH1-OE1 3.79Å; R1213-E1216 IonicContact NH1-OE2 3.64Å; R1213-E1216 PolarHBondContact NH1-OE2 3.19Å; R1213-E1216 VanDerWaalsContact NH1-OE2 3.11Å; R1213-E1216 PolarHBondContact O-N 3.15Å; R1213-H1217 PolarHBondContact O-CD2 2.89Å | ||
| 1214 | V | 73.4 | Confident | 66.5 | Low | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -53.2 | -36 | -174.7 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | L1159 L1206 F1207 L1212 E1216 H1217 W1233 | L1159-V1214 HydrophobicContact CD1-CG1 3.82Å; L1159-V1214 HydrophobicContact CD2-CG1 4.21Å; L1206-V1214 HydrophobicContact CB-CG2 4.21Å; L1206-V1214 VanDerWaalsContact O-CG2 3.32Å; L1206-V1214 WeakPolarHBondContact O-CG2 3.41Å; F1207-V1214 HydrophobicContact CD1-CB 4.44Å; F1207-V1214 HydrophobicContact CD1-CG1 4.45Å; F1207-V1214 HydrophobicContact CE1-CB 4.44Å; F1207-V1214 HydrophobicContact CE1-CG1 4.03Å; F1207-V1214 HydrophobicContact CE2-CG1 4.14Å; F1207-V1214 HydrophobicContact CZ-CG1 3.86Å; L1212-V1214 VanDerWaalsContact C-N 3.29Å; L1212-V1214 HydrophobicContact CB-CG2 3.94Å; L1212-V1214 PolarHBondContact O-N 3.4Å; V1214-E1216 VanDerWaalsContact C-N 3.31Å; V1214-E1216 PolarHBondContact O-N 3.34Å; V1214-H1217 PolarHBondContact O-N 3.46Å; V1214-W1233 HydrophobicContact CG1-CB 4.19Å; V1214-W1233 HydrophobicContact CG1-CG 4.4Å |
| 1215 | H | 70.7 | Confident | 64.5 | Low | 37 Ų | 37 | 65.7 Ų | 65.7 | 17% | 0.171 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -70 | -19.1 | 179.7 | 60.1 | -81 | 0 | 0 | 0 | 115 | R1213 N1232 T1234 | R1213-H1215 PolarHBondContact O-N 3.48Å; R1213-H1215 VanDerWaalsContact O-N 3.09Å; H1215-N1232 PolarHBondContact O-ND2 3.23Å; H1215-N1232 PolarHBondContact O-OD1 2.88Å; H1215-T1234 WeakPolarHBondContact CB-OG1 3.49Å |
| 1216 | E | 69.8 | Low | 62.8 | Low | 114 Ų | 114 | 68.7 Ų | 68.7 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -84 | -16.5 | 177.3 | -66 | -179.5 | -175.3 | 0 | 0 | 112 | R1213 V1214 | R1213-E1216 HydrophobicContact CB-CB 4.33Å; R1213-E1216 HydrophobicContact CB-CG 4.22Å; R1213-E1216 VanDerWaalsContact CD-CD 3.44Å; R1213-E1216 WeakPolarHBondContact CD-OE1 3.29Å; R1213-E1216 WeakPolarHBondContact CD-OE2 3.23Å; R1213-E1216 IonicContact CZ-OE2 2.71Å; R1213-E1216 IonicContact NE-OE2 3.99Å; R1213-E1216 IonicContact NH1-OE1 3.79Å; R1213-E1216 IonicContact NH1-OE2 3.64Å; R1213-E1216 PolarHBondContact NH1-OE2 3.19Å; R1213-E1216 VanDerWaalsContact NH1-OE2 3.11Å; R1213-E1216 PolarHBondContact O-N 3.15Å; V1214-E1216 VanDerWaalsContact C-N 3.31Å; V1214-E1216 PolarHBondContact O-N 3.34Å |
| 1217 | H | 69.3 | Low | 60.6 | Low | 23 Ų | 23 | 77.8 Ų | 77.8 | 11% | 0.106 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -80.7 | 135.7 | -178.1 | -61.4 | -55.3 | 0 | 0 | 0 | 111.5 | P1151 L1212 R1213 V1214 | P1151-H1217 HydrophobicContact CB-CB 4.29Å; P1151-H1217 HydrophobicContact CG-CB 4.18Å; L1212-H1217 PolarHBondContact O-NE2 2.91Å; R1213-H1217 PolarHBondContact O-CD2 2.89Å; V1214-H1217 PolarHBondContact O-N 3.46Å |
| 1218 | S | 64.7 | Low | 58.9 | Low | 74 Ų | 74 | 79.8 Ų | 79.8 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -71.4 | 142.7 | 171.4 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | P1220 | S1218-P1220 WeakPolarHBondContact O-CD 3.43Å |
| 1219 | V | 67.6 | Low | 57.6 | Low | 16 Ų | 16 | 82.6 Ų | 82.6 | 10% | 0.097 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 121.4 | 170 | -179 | 0 | 0 | 0 | 0 | 108.1 | I1221 R1231 W1233 E1236 | V1219-I1221 PolarHBondContact O-N 3.49Å; V1219-R1231 HydrophobicContact CB-CB 3.73Å; V1219-R1231 HydrophobicContact CG1-CB 4.29Å; V1219-R1231 HydrophobicContact CG2-CB 3.93Å; V1219-R1231 WeakPolarHBondContact CG2-O 3.42Å; V1219-R1231 PolarHBondContact N-O 2.91Å; V1219-R1231 VanDerWaalsContact N-O 3.11Å; V1219-W1233 HydrophobicContact CG1-CH2 4.32Å; V1219-W1233 HydrophobicContact CG1-CZ2 4.4Å; V1219-W1233 HydrophobicContact CG2-CD2 3.7Å; V1219-W1233 HydrophobicContact CG2-CE3 3.96Å; V1219-W1233 HydrophobicContact CG2-CG 4.01Å; V1219-W1233 HydrophobicContact CG2-CZ2 4.36Å; V1219-W1233 HydrophobicContact CG2-CZ3 4.42Å; V1219-E1236 HydrophobicContact CG2-CG 3.93Å |
| 1220 | P | 61.1 | Low | 56.7 | Low | 61 Ų | 61 | 87.4 Ų | 87.4 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 122.3 | 178.4 | 18.1 | -21.9 | 0 | 0 | 0 | 110.3 | V1156 S1218 | V1156-P1220 HydrophobicContact CB-CG 4.45Å; V1156-P1220 HydrophobicContact CG1-CG 3.38Å; V1156-P1220 HydrophobicContact CG2-CG 4.3Å; S1218-P1220 WeakPolarHBondContact O-CD 3.43Å |
| 1221 | I | 55.5 | Low | 56.7 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 42% | 0.415 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 117.4 | -179.7 | -50.3 | 174.2 | 0 | 0 | 0 | 108.2 | V1219 N1223 S1228 | V1219-I1221 PolarHBondContact O-N 3.49Å; I1221-N1223 HydrophobicContact CG2-CB 3.69Å; I1221-N1223 VanDerWaalsContact CG2-CG 3.41Å; I1221-N1223 PolarHBondContact O-N 3.47Å; I1221-S1228 WeakPolarHBondContact CD1-O 3.33Å |
| 1222 | E | 48 | Very low | 57.2 | Low | 155 Ų | 155 | 84.5 Ų | 84.5 | 72% | 0.724 | 44% | 0.441 | S | S | * | . | trans | -78.1 | 86.7 | 162.3 | -77 | 173.9 | -155.2 | 0 | 0 | 107.9 | K1160 | K1160-E1222 IonicContact NZ-OE1 3.47Š| ||
| 1223 | N | 42.1 | Very low | 57.8 | Low | 76 Ų | 76 | 84.8 Ų | 84.8 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | trans | -119.2 | 114.9 | 176 | -98.8 | 2.6 | 0 | 0 | 0 | 112.6 | I1221 N1225 S1226 S1228 | I1221-N1223 HydrophobicContact CG2-CB 3.69Å; I1221-N1223 VanDerWaalsContact CG2-CG 3.41Å; I1221-N1223 PolarHBondContact O-N 3.47Å; N1223-N1225 PolarHBondContact O-N 3.46Å; N1223-S1226 PolarHBondContact ND2-O 2.9Å; N1223-S1226 PolarHBondContact ND2-OG 3.5Å; N1223-S1228 PolarHBondContact ND2-OG 2.85Å | ||
| 1224 | N | 40.7 | Very low | 58.4 | Low | 158 Ų | 158 | 79.4 Ų | 79.4 | 85% | 0.845 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -72 | 109.1 | 142.5 | -71.8 | -31.1 | 0 | 0 | 0 | 107.9 | ||
| 1225 | N | 41.8 | Very low | 58.8 | Low | 164 Ų | 164 | 79.4 Ų | 79.4 | 88% | 0.877 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 70.7 | 37 | 153.6 | -60.9 | -13.1 | 0 | 0 | 0 | 121.5 | N1223 | N1223-N1225 PolarHBondContact O-N 3.46Š|
| 1226 | S | 40.8 | Very low | 59.5 | Low | 71 Ų | 71 | 78.1 Ų | 78.1 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | trans | -150.1 | 141.2 | 154.2 | 67.5 | 0 | 0 | 0 | 0 | 113.4 | N1223 S1228 | N1223-S1226 PolarHBondContact ND2-O 2.9Å; N1223-S1226 PolarHBondContact ND2-OG 3.5Å; S1226-S1228 PolarHBondContact O-N 3.49Å; S1226-S1228 PolarHBondContact O-OG 3.46Å; S1226-S1228 PolarHBondContact OG-OG 3.11Å | ||
| 1227 | L | 35.5 | Very low | 60.3 | Low | 191 Ų | 191 | 72.7 Ų | 72.7 | 100% | 1 | 39% | 0.391 | S | S | * | . | trans | -71.7 | 38.5 | -179.5 | -138.2 | 101.6 | 0 | 0 | 0 | 112.5 | ||||
| 1228 | S | 44.3 | Very low | 61.1 | Low | 45 Ų | 45 | 71.9 Ų | 71.9 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | trans | -88.6 | 114.1 | -163.5 | 44 | 0 | 0 | 0 | 0 | 113 | I1221 N1223 S1226 | I1221-S1228 WeakPolarHBondContact CD1-O 3.33Å; N1223-S1228 PolarHBondContact ND2-OG 2.85Å; S1226-S1228 PolarHBondContact O-N 3.49Å; S1226-S1228 PolarHBondContact O-OG 3.46Å; S1226-S1228 PolarHBondContact OG-OG 3.11Å | ||
| 1229 | H | 48.5 | Very low | 62.1 | Low | 125 Ų | 125 | 72.2 Ų | 72.2 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | trans | 39.7 | 113.6 | 156.4 | -52.5 | -67.9 | 0 | 0 | 0 | 118.3 | R1231 | H1229-R1231 PolarHBondContact O-N 3.33Š| ||
| 1230 | V | 50.2 | Low | 63 | Low | 127 Ų | 127 | 73.3 Ų | 73.3 | 77% | 0.77 | 39% | 0.386 | S | S | * | . | trans | -60.7 | 102.4 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1231 | R | 62.9 | Low | 64.3 | Low | 114 Ų | 114 | 70.4 Ų | 70.4 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | trans | -73.7 | 139.8 | 173.5 | -76.7 | 169.3 | 178.4 | -137 | 13.9 | 110.1 | V1219 H1229 E1236 | V1219-R1231 HydrophobicContact CB-CB 3.73Å; V1219-R1231 HydrophobicContact CG1-CB 4.29Å; V1219-R1231 HydrophobicContact CG2-CB 3.93Å; V1219-R1231 WeakPolarHBondContact CG2-O 3.42Å; V1219-R1231 PolarHBondContact N-O 2.91Å; V1219-R1231 VanDerWaalsContact N-O 3.11Å; H1229-R1231 PolarHBondContact O-N 3.33Å; R1231-E1236 VanDerWaalsContact CD-OE1 3.28Å; R1231-E1236 WeakPolarHBondContact CD-OE1 3.38Å; R1231-E1236 IonicContact CZ-OE1 2.74Å; R1231-E1236 IonicContact NE-OE1 3.61Å; R1231-E1236 IonicContact NH1-OE1 3.09Å; R1231-E1236 PolarHBondContact NH1-OE1 3.21Å | ||
| 1232 | N | 76.1 | Confident | 65.8 | Low | 25 Ų | 25 | 66.6 Ų | 66.6 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 139.1 | 176.8 | -176.3 | -50.5 | 0 | 0 | 0 | 109.9 | H1215 T1234 I1235 E1236 Y1285 | H1215-N1232 PolarHBondContact O-ND2 3.23Å; H1215-N1232 PolarHBondContact O-OD1 2.88Å; N1232-T1234 PolarHBondContact O-N 3.15Å; N1232-T1234 VanDerWaalsContact O-N 3.11Å; N1232-T1234 WeakPolarHBondContact OD1-CB 3.34Å; N1232-T1234 PolarHBondContact OD1-N 2.88Å; N1232-T1234 PolarHBondContact OD1-OG1 2.91Å; N1232-I1235 PolarHBondContact O-N 2.85Å; N1232-E1236 PolarHBondContact O-N 2.9Å; N1232-E1236 VanDerWaalsContact O-N 3.12Å; N1232-Y1285 HydrophobicContact CB-CD1 4.43Å; N1232-Y1285 HydrophobicContact CB-CE1 3.73Å |
| 1233 | W | 80.8 | Confident | 67.5 | Low | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.019 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.2 | -28.3 | 178.7 | -69.6 | 114.8 | 0 | 0 | 0 | 114.5 | V1156 L1159 K1160 F1163 F1207 V1214 V1219 E1236 A1237 | V1156-W1233 HydrophobicContact CB-CZ2 4.31Å; V1156-W1233 HydrophobicContact CG1-CH2 4.28Å; V1156-W1233 HydrophobicContact CG1-CZ2 3.98Å; V1156-W1233 HydrophobicContact CG2-CZ2 4.17Å; L1159-W1233 HydrophobicContact CB-CE3 4.24Å; L1159-W1233 HydrophobicContact CB-CH2 3.87Å; L1159-W1233 HydrophobicContact CB-CZ2 4.33Å; L1159-W1233 HydrophobicContact CB-CZ3 3.84Å; L1159-W1233 HydrophobicContact CD1-CD2 3.88Å; L1159-W1233 HydrophobicContact CD1-CE3 4.28Å; L1159-W1233 HydrophobicContact CD1-CG 4.26Å; L1159-W1233 HydrophobicContact CD1-CH2 4.43Å; L1159-W1233 HydrophobicContact CD1-CZ2 4.1Å; K1160-W1233 HydrophobicContact CG-CH2 4.09Å; F1163-W1233 HydrophobicContact CD2-CE3 4.21Å; F1163-W1233 AromaticContact CD2-CZ3 3.84Å; F1163-W1233 HydrophobicContact CD2-CZ3 3.84Å; F1163-W1233 AromaticContact CE2-CE3 3.42Å; F1163-W1233 HydrophobicContact CE2-CE3 3.42Å; F1163-W1233 VanDerWaalsContact CE2-CE3 3.42Å; F1163-W1233 AromaticContact CE2-CZ3 3.5Å; F1163-W1233 HydrophobicContact CE2-CZ3 3.5Å; F1163-W1233 VanDerWaalsContact CE2-CZ3 3.5Å; F1163-W1233 HydrophobicContact CZ-CE3 4.28Å; F1207-W1233 HydrophobicContact CE1-CB 4.33Å; F1207-W1233 HydrophobicContact CZ-CB 3.96Å; F1207-W1233 WeakPolarHBondContact CZ-O 3.24Å; V1214-W1233 HydrophobicContact CG1-CB 4.19Å; V1214-W1233 HydrophobicContact CG1-CG 4.4Å; V1219-W1233 HydrophobicContact CG1-CH2 4.32Å; V1219-W1233 HydrophobicContact CG1-CZ2 4.4Å; V1219-W1233 HydrophobicContact CG2-CD2 3.7Å; V1219-W1233 HydrophobicContact CG2-CE3 3.96Å; V1219-W1233 HydrophobicContact CG2-CG 4.01Å; V1219-W1233 HydrophobicContact CG2-CZ2 4.36Å; V1219-W1233 HydrophobicContact CG2-CZ3 4.42Å; W1233-E1236 HydrophobicContact CE3-CB 4.33Å; W1233-A1237 WeakPolarHBondContact O-CB 3.39Å; W1233-A1237 PolarHBondContact O-N 3.48Å |
| 1234 | T | 81.5 | Confident | 69.4 | Low | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.6 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | H1215 N1232 L1238 L1264 L1268 | H1215-T1234 WeakPolarHBondContact CB-OG1 3.49Å; N1232-T1234 PolarHBondContact O-N 3.15Å; N1232-T1234 VanDerWaalsContact O-N 3.11Å; N1232-T1234 WeakPolarHBondContact OD1-CB 3.34Å; N1232-T1234 PolarHBondContact OD1-N 2.88Å; N1232-T1234 PolarHBondContact OD1-OG1 2.91Å; T1234-L1238 PolarHBondContact O-N 3.16Å; T1234-L1264 HydrophobicContact CG2-CB 4.47Å; T1234-L1264 HydrophobicContact CG2-CD2 3.95Å; T1234-L1268 HydrophobicContact CG2-CD1 4.31Å; T1234-L1268 HydrophobicContact CG2-CD2 4Å; T1234-L1268 HydrophobicContact CG2-CG 3.91Å |
| 1235 | I | 83.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -75 | -42.6 | 178 | -59.9 | -59.4 | 0 | 0 | 0 | 110.6 | N1232 A1237 L1238 Q1239 L1268 Y1285 Q1287 M1288 I1291 | N1232-I1235 PolarHBondContact O-N 2.85Å; I1235-A1237 VanDerWaalsContact C-N 3.26Å; I1235-A1237 PolarHBondContact O-N 3.13Å; I1235-L1238 PolarHBondContact O-N 3.3Å; I1235-L1238 VanDerWaalsContact O-N 3.16Å; I1235-Q1239 WeakPolarHBondContact O-CB 3.46Å; I1235-Q1239 PolarHBondContact O-N 3.3Å; I1235-L1268 HydrophobicContact CD1-CD2 4.48Å; I1235-Y1285 HydrophobicContact CD1-CD1 4.02Å; I1235-Y1285 HydrophobicContact CD1-CD2 4.18Å; I1235-Y1285 HydrophobicContact CD1-CG 3.72Å; I1235-Y1285 HydrophobicContact CG1-CD1 3.46Å; I1235-Y1285 VanDerWaalsContact CG1-CD1 3.46Å; I1235-Y1285 HydrophobicContact CG1-CE1 4.07Å; I1235-Y1285 HydrophobicContact CG1-CG 3.71Å; I1235-Q1287 HydrophobicContact CG2-CB 4.09Å; I1235-M1288 HydrophobicContact CD1-SD 4.32Å; I1235-I1291 HydrophobicContact CG2-CD1 3.94Å |
| 1236 | E | 84.8 | Confident | 73.3 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 173.5 | -67.7 | -68.6 | 166.9 | 0 | 0 | 111.1 | V1219 R1231 N1232 W1233 Q1239 L1240 | V1219-E1236 HydrophobicContact CG2-CG 3.93Å; R1231-E1236 VanDerWaalsContact CD-OE1 3.28Å; R1231-E1236 WeakPolarHBondContact CD-OE1 3.38Å; R1231-E1236 IonicContact CZ-OE1 2.74Å; R1231-E1236 IonicContact NE-OE1 3.61Å; R1231-E1236 IonicContact NH1-OE1 3.09Å; R1231-E1236 PolarHBondContact NH1-OE1 3.21Å; N1232-E1236 PolarHBondContact O-N 2.9Å; N1232-E1236 VanDerWaalsContact O-N 3.12Å; W1233-E1236 HydrophobicContact CE3-CB 4.33Å; E1236-Q1239 PolarHBondContact O-N 2.89Å; E1236-L1240 HydrophobicContact CB-CD1 4.47Å; E1236-L1240 WeakPolarHBondContact O-CB 3.43Å; E1236-L1240 WeakPolarHBondContact O-CG 3.01Å; E1236-L1240 PolarHBondContact O-N 3.06Å; E1236-L1240 WeakPolarHBondContact OE2-CD1 3.31Å |
| 1237 | A | 87.2 | Confident | 75 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1163 F1207 W1233 I1235 A1241 V1242 L1264 | F1163-A1237 VanDerWaalsContact CE1-CA 3.41Å; F1163-A1237 HydrophobicContact CE1-CB 3.69Å; F1163-A1237 HydrophobicContact CZ-CB 3.8Å; F1207-A1237 HydrophobicContact CE2-CB 3.81Å; F1207-A1237 HydrophobicContact CZ-CB 3.69Å; W1233-A1237 WeakPolarHBondContact O-CB 3.39Å; W1233-A1237 PolarHBondContact O-N 3.48Å; I1235-A1237 VanDerWaalsContact C-N 3.26Å; I1235-A1237 PolarHBondContact O-N 3.13Å; A1237-A1241 WeakPolarHBondContact O-CB 3.5Å; A1237-A1241 PolarHBondContact O-N 3.13Å; A1237-A1241 VanDerWaalsContact O-N 3.16Å; A1237-V1242 PolarHBondContact O-N 3.34Å; A1237-L1264 HydrophobicContact CB-CD1 3.7Å; A1237-L1264 HydrophobicContact CB-CD2 4.15Å |
| 1238 | L | 85.2 | Confident | 77 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -62.7 | -50.1 | 170.9 | -75.7 | 173.7 | 0 | 0 | 0 | 110.8 | T1234 I1235 V1242 I1243 L1264 L1268 M1288 | T1234-L1238 PolarHBondContact O-N 3.16Å; I1235-L1238 PolarHBondContact O-N 3.3Å; I1235-L1238 VanDerWaalsContact O-N 3.16Å; L1238-V1242 HydrophobicContact CD2-CB 4.28Å; L1238-V1242 HydrophobicContact CD2-CG1 4.31Å; L1238-V1242 HydrophobicContact CD2-CG2 4.27Å; L1238-I1243 VanDerWaalsContact O-CG1 3.3Å; L1238-I1243 WeakPolarHBondContact O-CG1 3.43Å; L1238-I1243 PolarHBondContact O-N 3.24Å; L1238-L1264 HydrophobicContact CD2-CB 4.38Å; L1238-L1264 HydrophobicContact CD2-CD1 3.91Å; L1238-L1264 HydrophobicContact CG-CD1 3.99Å; L1238-L1268 HydrophobicContact CD1-CD1 3.68Å; L1238-M1288 HydrophobicContact CD1-SD 4.37Å |
| 1239 | Q | 84.9 | Confident | 78.5 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 38% | 0.379 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -69.7 | -44.4 | -173.3 | -169 | 172.7 | -7.8 | 0 | 0 | 113.5 | I1235 E1236 P1244 I1291 | I1235-Q1239 WeakPolarHBondContact O-CB 3.46Å; I1235-Q1239 PolarHBondContact O-N 3.3Å; E1236-Q1239 PolarHBondContact O-N 2.89Å; Q1239-P1244 WeakPolarHBondContact O-CD 3.3Å; Q1239-I1291 HydrophobicContact CB-CD1 3.95Å; Q1239-I1291 HydrophobicContact CB-CG1 4.33Å; Q1239-I1291 HydrophobicContact CG-CD1 4.42Å; Q1239-I1291 HydrophobicContact CG-CG1 4.31Å |
| 1240 | L | 86.9 | Confident | 79.9 | Confident | 39 Ų | 39 | 39.7 Ų | 39.7 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -99.5 | -20.6 | -168.5 | -57.3 | -173.7 | 0 | 0 | 0 | 113.9 | F1163 T1166 Q1167 E1236 | F1163-L1240 HydrophobicContact CB-CB 4Å; F1163-L1240 HydrophobicContact CB-CD1 3.93Å; F1163-L1240 HydrophobicContact CD1-CB 3.94Å; F1163-L1240 HydrophobicContact CG-CB 4.12Å; F1163-L1240 HydrophobicContact CG-CD1 4.16Å; T1166-L1240 PolarHBondContact OG1-O 3.35Å; T1166-L1240 VanDerWaalsContact OG1-O 3.07Å; Q1167-L1240 HydrophobicContact CG-CB 4.48Å; Q1167-L1240 WeakPolarHBondContact CG-O 3.48Å; E1236-L1240 HydrophobicContact CB-CD1 4.47Å; E1236-L1240 WeakPolarHBondContact O-CB 3.43Å; E1236-L1240 WeakPolarHBondContact O-CG 3.01Å; E1236-L1240 PolarHBondContact O-N 3.06Å; E1236-L1240 WeakPolarHBondContact OE2-CD1 3.31Å |
| 1241 | A | 88.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -117.3 | -54 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F1163 T1166 L1200 L1203 A1237 G1245 L1260 | F1163-A1241 HydrophobicContact CD1-CB 3.97Å; F1163-A1241 HydrophobicContact CE1-CB 4.05Å; T1166-A1241 HydrophobicContact CG2-CB 3.91Å; T1166-A1241 WeakPolarHBondContact OG1-CA 3.46Å; T1166-A1241 WeakPolarHBondContact OG1-CB 3.18Å; L1200-A1241 HydrophobicContact CD2-CB 3.98Å; L1203-A1241 HydrophobicContact CD1-CB 3.65Å; A1237-A1241 WeakPolarHBondContact O-CB 3.5Å; A1237-A1241 PolarHBondContact O-N 3.13Å; A1237-A1241 VanDerWaalsContact O-N 3.16Å; A1241-G1245 PolarHBondContact O-N 3.36Å; A1241-L1260 HydrophobicContact CB-CD2 3.89Å |
| 1242 | V | 87.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -68.2 | -53.4 | -173.6 | 172.6 | 0 | 0 | 0 | 0 | 112 | A1237 L1238 G1245 F1246 L1260 H1261 L1264 | A1237-V1242 PolarHBondContact O-N 3.34Å; L1238-V1242 HydrophobicContact CD2-CB 4.28Å; L1238-V1242 HydrophobicContact CD2-CG1 4.31Å; L1238-V1242 HydrophobicContact CD2-CG2 4.27Å; V1242-G1245 PolarHBondContact O-N 2.64Å; V1242-G1245 VanDerWaalsContact O-N 3.15Å; V1242-F1246 HydrophobicContact CG1-CD2 3.76Å; V1242-F1246 HydrophobicContact CG1-CE1 4.41Å; V1242-F1246 HydrophobicContact CG1-CE2 3.17Å; V1242-F1246 HydrophobicContact CG1-CZ 3.57Å; V1242-F1246 WeakPolarHBondContact O-CG 3.14Å; V1242-F1246 PolarHBondContact O-N 3.45Å; V1242-L1260 HydrophobicContact CG2-CB 4.24Å; V1242-L1260 HydrophobicContact CG2-CD2 3.81Å; V1242-L1260 HydrophobicContact CG2-CG 3.79Å; V1242-H1261 HydrophobicContact CG1-CB 3.76Å; V1242-H1261 HydrophobicContact CG2-CB 4.28Å; V1242-L1264 HydrophobicContact CG2-CD1 3.81Å |
| 1243 | I | 83.7 | Confident | 82.2 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | -177.5 | -63.4 | 162.6 | 0 | 0 | 0 | 111.6 | L1238 G1245 F1246 N1247 I1291 | L1238-I1243 VanDerWaalsContact O-CG1 3.3Å; L1238-I1243 WeakPolarHBondContact O-CG1 3.43Å; L1238-I1243 PolarHBondContact O-N 3.24Å; I1243-G1245 PolarHBondContact O-N 3.19Å; I1243-F1246 PolarHBondContact O-N 3.35Å; I1243-N1247 PolarHBondContact O-N 2.63Å; I1243-I1291 HydrophobicContact CD1-CB 4.3Å; I1243-I1291 HydrophobicContact CD1-CG1 4.25Å; I1243-I1291 HydrophobicContact CD1-CG2 3.43Å; I1243-I1291 VanDerWaalsContact CD1-CG2 3.43Å |
| 1244 | P | 83.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 16% | 0.162 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -38.7 | 174.8 | -26.5 | 38.5 | 0 | 0 | 0 | 111.9 | R1196 Q1239 F1246 N1247 S1248 | R1196-P1244 PolarHBondContact NH2-O 3.5Å; Q1239-P1244 WeakPolarHBondContact O-CD 3.3Å; P1244-F1246 VanDerWaalsContact C-N 3.35Å; P1244-F1246 PolarHBondContact O-N 2.94Å; P1244-N1247 WeakPolarHBondContact O-CB 3.49Å; P1244-N1247 PolarHBondContact O-N 3.1Å; P1244-S1248 PolarHBondContact O-N 2.86Å |
| 1245 | G | 83 | Confident | 82 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1241 V1242 I1243 N1247 S1248 | A1241-G1245 PolarHBondContact O-N 3.36Å; V1242-G1245 PolarHBondContact O-N 2.64Å; V1242-G1245 VanDerWaalsContact O-N 3.15Å; I1243-G1245 PolarHBondContact O-N 3.19Å; G1245-N1247 VanDerWaalsContact C-N 3.31Å; G1245-N1247 PolarHBondContact O-N 3.31Å; G1245-S1248 WeakPolarHBondContact O-CB 3.41Å; G1245-S1248 PolarHBondContact O-N 3.49Å |
| 1246 | F | 80.8 | Confident | 81.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -30.4 | 172.6 | -67.5 | -33.8 | 0 | 0 | 0 | 113.3 | V1242 I1243 P1244 S1248 W1254 A1257 L1258 H1261 T1308 P1311 | V1242-F1246 HydrophobicContact CG1-CD2 3.76Å; V1242-F1246 HydrophobicContact CG1-CE1 4.41Å; V1242-F1246 HydrophobicContact CG1-CE2 3.17Å; V1242-F1246 HydrophobicContact CG1-CZ 3.57Å; V1242-F1246 WeakPolarHBondContact O-CG 3.14Å; V1242-F1246 PolarHBondContact O-N 3.45Å; I1243-F1246 PolarHBondContact O-N 3.35Å; P1244-F1246 VanDerWaalsContact C-N 3.35Å; P1244-F1246 PolarHBondContact O-N 2.94Å; F1246-S1248 PolarHBondContact O-N 3.47Å; F1246-W1254 AromaticContact CD1-CD1 3.8Å; F1246-W1254 HydrophobicContact CD1-CG 4.48Å; F1246-W1254 AromaticContact CD1-NE1 3.73Å; F1246-A1257 HydrophobicContact CD1-CB 3.93Å; F1246-A1257 HydrophobicContact CE1-CB 3.97Å; F1246-L1258 HydrophobicContact CE1-CB 4.1Å; F1246-L1258 HydrophobicContact CE1-CD1 4.13Å; F1246-L1258 HydrophobicContact CZ-CD1 4.31Å; F1246-H1261 HydrophobicContact CE2-CB 4.38Å; F1246-H1261 HydrophobicContact CZ-CB 3.72Å; F1246-H1261 AromaticContact CZ-CG 3.77Å; F1246-T1308 HydrophobicContact CB-CG2 3.59Å; F1246-T1308 WeakPolarHBondContact O-CG2 3.48Å; F1246-P1311 HydrophobicContact CD1-CG 4.09Å; F1246-P1311 HydrophobicContact CD2-CB 3.84Å; F1246-P1311 HydrophobicContact CD2-CG 3.86Å; F1246-P1311 HydrophobicContact CE1-CB 4.17Å; F1246-P1311 HydrophobicContact CE1-CG 3.77Å; F1246-P1311 HydrophobicContact CE2-CB 3.14Å; F1246-P1311 HydrophobicContact CE2-CG 3.52Å; F1246-P1311 HydrophobicContact CG-CG 4.14Å; F1246-P1311 HydrophobicContact CZ-CB 3.35Å; F1246-P1311 HydrophobicContact CZ-CG 3.48Å; F1246-P1311 VanDerWaalsContact CZ-CG 3.48Å |
| 1247 | N | 76.1 | Confident | 82 | Confident | 97 Ų | 97 | 40.5 Ų | 40.5 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.2 | 175.3 | -72.6 | -36.6 | 0 | 0 | 0 | 113.4 | I1243 P1244 G1245 T1308 | I1243-N1247 PolarHBondContact O-N 2.63Å; P1244-N1247 WeakPolarHBondContact O-CB 3.49Å; P1244-N1247 PolarHBondContact O-N 3.1Å; G1245-N1247 VanDerWaalsContact C-N 3.31Å; G1245-N1247 PolarHBondContact O-N 3.31Å; N1247-T1308 HydrophobicContact CB-CG2 4.35Å; N1247-T1308 WeakPolarHBondContact OD1-CG2 3.43Å |
| 1248 | S | 78.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -71.9 | 139.6 | -178.8 | -175.1 | 0 | 0 | 0 | 0 | 112 | D1170 P1244 G1245 F1246 K1250 V1253 | D1170-S1248 VanDerWaalsContact CG-OG 3.27Å; D1170-S1248 PolarHBondContact OD1-OG 3.42Å; D1170-S1248 WeakPolarHBondContact OD2-CA 3.2Å; D1170-S1248 PolarHBondContact OD2-OG 3.29Å; P1244-S1248 PolarHBondContact O-N 2.86Å; G1245-S1248 WeakPolarHBondContact O-CB 3.41Å; G1245-S1248 PolarHBondContact O-N 3.49Å; F1246-S1248 PolarHBondContact O-N 3.47Å; S1248-K1250 PolarHBondContact O-N 3.36Å; S1248-K1250 PolarHBondContact OG-N 3.46Å; S1248-V1253 WeakPolarHBondContact OG-CB 3.42Å | ||
| 1249 | K | 74.9 | Confident | 81.7 | Confident | 185 Ų | 185 | 46.1 Ų | 46.1 | 80% | 0.804 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -75.7 | -14.6 | 172.9 | -66.8 | -178.8 | -178.4 | 175.9 | 0 | 112.4 | D1170 | D1170-K1249 PolarHBondContact OD2-N 2.66Š|
| 1250 | K | 79.3 | Confident | 81.8 | Confident | 82 Ų | 82 | 42.2 Ų | 42.2 | 36% | 0.357 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -88 | 117.8 | -177.3 | -67.2 | -177.1 | 179.7 | 168.2 | 0 | 110.5 | P1194 S1248 N1252 V1253 W1254 | P1194-K1250 HydrophobicContact CG-CD 4.1Å; S1248-K1250 PolarHBondContact O-N 3.36Å; S1248-K1250 PolarHBondContact OG-N 3.46Å; K1250-N1252 WeakPolarHBondContact CB-OD1 3.47Å; K1250-N1252 PolarHBondContact O-N 2.87Å; K1250-N1252 VanDerWaalsContact O-N 3.14Å; K1250-V1253 HydrophobicContact CB-CB 4.4Å; K1250-V1253 HydrophobicContact CB-CG2 3.96Å; K1250-V1253 WeakPolarHBondContact O-CB 3.4Å; K1250-V1253 PolarHBondContact O-N 3.18Å; K1250-W1254 PolarHBondContact O-N 3.3Å; K1250-W1254 VanDerWaalsContact O-N 3.13Å |
| 1251 | W | 74.5 | Confident | 81.8 | Confident | 176 Ų | 176 | 40.8 Ų | 40.8 | 67% | 0.667 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -56.1 | -36 | -175 | 96.2 | -91.9 | 0 | 0 | 0 | 113.4 | W1254 N1255 | W1251-W1254 PolarHBondContact O-N 2.99Å; W1251-N1255 HydrophobicContact CE3-CB 3.8Å; W1251-N1255 HydrophobicContact CZ3-CB 3.62Å; W1251-N1255 VanDerWaalsContact CZ3-ND2 3.31Å; W1251-N1255 WeakPolarHBondContact CZ3-ND2 3.5Å; W1251-N1255 VanDerWaalsContact O-CB 3.3Å; W1251-N1255 WeakPolarHBondContact O-CB 3.27Å; W1251-N1255 PolarHBondContact O-N 3.49Å |
| 1252 | N | 77.6 | Confident | 81.5 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.9 | -31.4 | -179.2 | 53.5 | -13 | 0 | 0 | 0 | 112.3 | D1193 P1194 V1197 K1250 G1256 | D1193-N1252 PolarHBondContact OD1-ND2 3.38Å; P1194-N1252 WeakPolarHBondContact CD-ND2 3.42Å; V1197-N1252 HydrophobicContact CG1-CB 4.43Å; V1197-N1252 HydrophobicContact CG2-CB 3.9Å; K1250-N1252 WeakPolarHBondContact CB-OD1 3.47Å; K1250-N1252 PolarHBondContact O-N 2.87Å; K1250-N1252 VanDerWaalsContact O-N 3.14Å; N1252-G1256 PolarHBondContact O-N 3.07Å; N1252-G1256 VanDerWaalsContact O-N 3.08Å |
| 1253 | V | 83.9 | Confident | 81 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.1 | -49.3 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | P1194 R1196 V1197 L1200 S1248 K1250 N1255 G1256 A1257 | P1194-V1253 HydrophobicContact CG-CG2 4.08Å; R1196-V1253 HydrophobicContact CB-CG2 4.31Å; R1196-V1253 HydrophobicContact CG-CG1 3.99Å; V1197-V1253 HydrophobicContact CG2-CB 4.25Å; V1197-V1253 HydrophobicContact CG2-CG2 3.53Å; L1200-V1253 HydrophobicContact CD1-CG1 3.81Å; L1200-V1253 VanDerWaalsContact CD1-O 3.28Å; L1200-V1253 WeakPolarHBondContact CD1-O 3.42Å; S1248-V1253 WeakPolarHBondContact OG-CB 3.42Å; K1250-V1253 HydrophobicContact CB-CB 4.4Å; K1250-V1253 HydrophobicContact CB-CG2 3.96Å; K1250-V1253 WeakPolarHBondContact O-CB 3.4Å; K1250-V1253 PolarHBondContact O-N 3.18Å; V1253-N1255 VanDerWaalsContact C-N 3.31Å; V1253-N1255 PolarHBondContact O-N 3.18Å; V1253-G1256 PolarHBondContact O-N 3.33Å; V1253-G1256 VanDerWaalsContact O-N 3.17Å; V1253-A1257 PolarHBondContact O-N 3.31Å |
| 1254 | W | 78.9 | Confident | 81.1 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 26% | 0.261 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.8 | -44 | 177.1 | -179.1 | 91.7 | 0 | 0 | 0 | 112.1 | F1246 K1250 W1251 A1257 L1258 Q1307 | F1246-W1254 AromaticContact CD1-CD1 3.8Å; F1246-W1254 HydrophobicContact CD1-CG 4.48Å; F1246-W1254 AromaticContact CD1-NE1 3.73Å; K1250-W1254 PolarHBondContact O-N 3.3Å; K1250-W1254 VanDerWaalsContact O-N 3.13Å; W1251-W1254 PolarHBondContact O-N 2.99Å; W1254-A1257 PolarHBondContact O-N 2.97Å; W1254-L1258 HydrophobicContact CH2-CD2 3.79Å; W1254-L1258 HydrophobicContact CZ2-CD2 4.49Å; W1254-L1258 HydrophobicContact CZ3-CD2 3.92Å; W1254-L1258 WeakPolarHBondContact O-CB 3.45Å; W1254-L1258 PolarHBondContact O-N 2.81Å; W1254-Q1307 PolarHBondContact NE1-O 2.93Å |
| 1255 | N | 80.3 | Confident | 80.8 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.2 | -41 | 177.5 | -174.6 | 33.9 | 0 | 0 | 0 | 112.3 | W1251 V1253 A1257 L1258 Q1259 | W1251-N1255 HydrophobicContact CE3-CB 3.8Å; W1251-N1255 HydrophobicContact CZ3-CB 3.62Å; W1251-N1255 VanDerWaalsContact CZ3-ND2 3.31Å; W1251-N1255 WeakPolarHBondContact CZ3-ND2 3.5Å; W1251-N1255 VanDerWaalsContact O-CB 3.3Å; W1251-N1255 WeakPolarHBondContact O-CB 3.27Å; W1251-N1255 PolarHBondContact O-N 3.49Å; V1253-N1255 VanDerWaalsContact C-N 3.31Å; V1253-N1255 PolarHBondContact O-N 3.18Å; N1255-A1257 VanDerWaalsContact C-N 3.29Å; N1255-A1257 PolarHBondContact O-N 3.44Å; N1255-L1258 PolarHBondContact O-N 2.91Å; N1255-Q1259 WeakPolarHBondContact O-CG 3.38Å; N1255-Q1259 PolarHBondContact O-N 3.38Å |
| 1256 | G | 81.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1252 V1253 Q1259 L1260 | N1252-G1256 PolarHBondContact O-N 3.07Å; N1252-G1256 VanDerWaalsContact O-N 3.08Å; V1253-G1256 PolarHBondContact O-N 3.33Å; V1253-G1256 VanDerWaalsContact O-N 3.17Å; G1256-Q1259 PolarHBondContact O-N 2.87Å; G1256-L1260 PolarHBondContact O-N 3.35Å; G1256-L1260 VanDerWaalsContact O-N 3.1Å |
| 1257 | A | 86.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1200 F1246 V1253 W1254 N1255 L1260 H1261 | L1200-A1257 HydrophobicContact CD1-CB 4.15Å; L1200-A1257 HydrophobicContact CD2-CB 4.25Å; F1246-A1257 HydrophobicContact CD1-CB 3.93Å; F1246-A1257 HydrophobicContact CE1-CB 3.97Å; V1253-A1257 PolarHBondContact O-N 3.31Å; W1254-A1257 PolarHBondContact O-N 2.97Å; N1255-A1257 VanDerWaalsContact C-N 3.29Å; N1255-A1257 PolarHBondContact O-N 3.44Å; A1257-L1260 PolarHBondContact O-N 3.39Å; A1257-H1261 WeakPolarHBondContact O-CB 3.32Å; A1257-H1261 PolarHBondContact O-N 3.13Å |
| 1258 | L | 82.5 | Confident | 79.8 | Confident | 59 Ų | 59 | 49.4 Ų | 49.4 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.3 | -170.9 | 72 | 0 | 0 | 0 | 112 | F1246 W1254 N1255 H1261 S1262 | F1246-L1258 HydrophobicContact CE1-CB 4.1Å; F1246-L1258 HydrophobicContact CE1-CD1 4.13Å; F1246-L1258 HydrophobicContact CZ-CD1 4.31Å; W1254-L1258 HydrophobicContact CH2-CD2 3.79Å; W1254-L1258 HydrophobicContact CZ2-CD2 4.49Å; W1254-L1258 HydrophobicContact CZ3-CD2 3.92Å; W1254-L1258 WeakPolarHBondContact O-CB 3.45Å; W1254-L1258 PolarHBondContact O-N 2.81Å; N1255-L1258 PolarHBondContact O-N 2.91Å; L1258-H1261 WeakPolarHBondContact O-CB 3.2Å; L1258-H1261 PolarHBondContact O-N 2.86Å; L1258-S1262 PolarHBondContact O-N 2.73Å |
| 1259 | Q | 82.9 | Confident | 79.3 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 176 | -70.7 | 177.3 | 22.6 | 0 | 0 | 111 | H1204 N1255 G1256 H1261 S1262 A1263 | H1204-Q1259 PolarHBondContact CD2-O 3.49Å; H1204-Q1259 VanDerWaalsContact CD2-O 3.31Å; N1255-Q1259 WeakPolarHBondContact O-CG 3.38Å; N1255-Q1259 PolarHBondContact O-N 3.38Å; G1256-Q1259 PolarHBondContact O-N 2.87Å; Q1259-H1261 PolarHBondContact O-N 3.26Å; Q1259-S1262 PolarHBondContact O-N 2.83Å; Q1259-S1262 PolarHBondContact O-OG 3.14Å; Q1259-A1263 PolarHBondContact O-N 3.43Å |
| 1260 | L | 87.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 174.3 | 178 | 59.1 | 0 | 0 | 0 | 111.6 | L1200 L1203 H1204 F1207 A1241 V1242 G1256 A1257 S1262 A1263 L1264 | L1200-L1260 HydrophobicContact CD2-CD2 4.02Å; L1203-L1260 HydrophobicContact CB-CD1 3.98Å; L1203-L1260 HydrophobicContact CB-CD2 3.84Å; L1203-L1260 HydrophobicContact CD1-CD2 4.03Å; H1204-L1260 HydrophobicContact CB-CB 4.4Å; H1204-L1260 HydrophobicContact CB-CD1 4.4Å; F1207-L1260 HydrophobicContact CD2-CD1 4.13Å; A1241-L1260 HydrophobicContact CB-CD2 3.89Å; V1242-L1260 HydrophobicContact CG2-CB 4.24Å; V1242-L1260 HydrophobicContact CG2-CD2 3.81Å; V1242-L1260 HydrophobicContact CG2-CG 3.79Å; G1256-L1260 PolarHBondContact O-N 3.35Å; G1256-L1260 VanDerWaalsContact O-N 3.1Å; A1257-L1260 PolarHBondContact O-N 3.39Å; L1260-S1262 VanDerWaalsContact C-N 3.32Å; L1260-S1262 PolarHBondContact O-N 3.02Å; L1260-A1263 PolarHBondContact O-N 3.03Å; L1260-A1263 VanDerWaalsContact O-N 3.14Å; L1260-L1264 HydrophobicContact CD1-CD1 4.11Å; L1260-L1264 HydrophobicContact CD1-CD2 4.43Å; L1260-L1264 HydrophobicContact CD1-CG 4.09Å; L1260-L1264 HydrophobicContact CG-CD1 3.92Å; L1260-L1264 HydrophobicContact CG-CG 4.34Å; L1260-L1264 WeakPolarHBondContact O-CG 3.11Å; L1260-L1264 PolarHBondContact O-N 3.17Å |
| 1261 | H | 86.7 | Confident | 77.1 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55 | -45 | 176.8 | 175.7 | -105.9 | 0 | 0 | 0 | 112.4 | V1242 F1246 A1257 L1258 Q1259 A1263 L1264 I1265 | V1242-H1261 HydrophobicContact CG1-CB 3.76Å; V1242-H1261 HydrophobicContact CG2-CB 4.28Å; F1246-H1261 HydrophobicContact CE2-CB 4.38Å; F1246-H1261 HydrophobicContact CZ-CB 3.72Å; F1246-H1261 AromaticContact CZ-CG 3.77Å; A1257-H1261 WeakPolarHBondContact O-CB 3.32Å; A1257-H1261 PolarHBondContact O-N 3.13Å; L1258-H1261 WeakPolarHBondContact O-CB 3.2Å; L1258-H1261 PolarHBondContact O-N 2.86Å; Q1259-H1261 PolarHBondContact O-N 3.26Å; H1261-A1263 VanDerWaalsContact C-N 3.32Å; H1261-A1263 PolarHBondContact O-N 3.02Å; H1261-L1264 PolarHBondContact O-N 2.78Å; H1261-I1265 WeakPolarHBondContact CE1-CD1 3.33Å; H1261-I1265 VanDerWaalsContact NE2-CD1 3.32Å; H1261-I1265 WeakPolarHBondContact NE2-CD1 3.47Å; H1261-I1265 WeakPolarHBondContact O-CG1 3.49Å; H1261-I1265 PolarHBondContact O-N 2.92Å |
| 1262 | S | 80.2 | Confident | 75.7 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61 | -40.7 | 178.4 | 74.5 | 0 | 0 | 0 | 0 | 112.5 | L1258 Q1259 L1260 Y1266 | L1258-S1262 PolarHBondContact O-N 2.73Å; Q1259-S1262 PolarHBondContact O-N 2.83Å; Q1259-S1262 PolarHBondContact O-OG 3.14Å; L1260-S1262 VanDerWaalsContact C-N 3.32Å; L1260-S1262 PolarHBondContact O-N 3.02Å; S1262-Y1266 WeakPolarHBondContact O-CB 3.43Å; S1262-Y1266 PolarHBondContact O-N 2.95Å; S1262-Y1266 VanDerWaalsContact O-N 3.15Å |
| 1263 | A | 78.7 | Confident | 74.4 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 10% | 0.099 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.6 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1208 Q1259 L1260 H1261 R1267 | T1208-A1263 HydrophobicContact CG2-CB 3.63Å; Q1259-A1263 PolarHBondContact O-N 3.43Å; L1260-A1263 PolarHBondContact O-N 3.03Å; L1260-A1263 VanDerWaalsContact O-N 3.14Å; H1261-A1263 VanDerWaalsContact C-N 3.32Å; H1261-A1263 PolarHBondContact O-N 3.02Å; A1263-R1267 WeakPolarHBondContact O-CG 3.44Å; A1263-R1267 PolarHBondContact O-N 3.11Å |
| 1264 | L | 84.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.5 | -42.6 | 177.7 | -63.6 | 174 | 0 | 0 | 0 | 111.9 | F1207 T1234 A1237 L1238 V1242 L1260 H1261 Y1266 R1267 L1268 | F1207-L1264 HydrophobicContact CB-CD2 4.42Å; F1207-L1264 HydrophobicContact CD1-CD2 3.42Å; F1207-L1264 VanDerWaalsContact CD1-CD2 3.42Å; F1207-L1264 HydrophobicContact CD2-CD2 4.31Å; F1207-L1264 HydrophobicContact CE1-CD2 3.61Å; F1207-L1264 HydrophobicContact CE2-CD2 4.48Å; F1207-L1264 HydrophobicContact CG-CD2 3.81Å; F1207-L1264 HydrophobicContact CZ-CD2 4.15Å; T1234-L1264 HydrophobicContact CG2-CB 4.47Å; T1234-L1264 HydrophobicContact CG2-CD2 3.95Å; A1237-L1264 HydrophobicContact CB-CD1 3.7Å; A1237-L1264 HydrophobicContact CB-CD2 4.15Å; L1238-L1264 HydrophobicContact CD2-CB 4.38Å; L1238-L1264 HydrophobicContact CD2-CD1 3.91Å; L1238-L1264 HydrophobicContact CG-CD1 3.99Å; V1242-L1264 HydrophobicContact CG2-CD1 3.81Å; L1260-L1264 HydrophobicContact CD1-CD1 4.11Å; L1260-L1264 HydrophobicContact CD1-CD2 4.43Å; L1260-L1264 HydrophobicContact CD1-CG 4.09Å; L1260-L1264 HydrophobicContact CG-CD1 3.92Å; L1260-L1264 HydrophobicContact CG-CG 4.34Å; L1260-L1264 WeakPolarHBondContact O-CG 3.11Å; L1260-L1264 PolarHBondContact O-N 3.17Å; H1261-L1264 PolarHBondContact O-N 2.78Å; L1264-Y1266 VanDerWaalsContact C-N 3.34Å; L1264-Y1266 PolarHBondContact O-N 3.5Å; L1264-R1267 WeakPolarHBondContact O-CB 3.33Å; L1264-R1267 PolarHBondContact O-N 3.01Å; L1264-R1267 VanDerWaalsContact O-N 3.12Å; L1264-L1268 PolarHBondContact O-N 3.26Å |
| 1265 | I | 77.1 | Confident | 73.3 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 176.6 | -76.7 | -165.3 | 0 | 0 | 0 | 111.4 | H1261 R1267 L1268 T1269 L1315 R1318 | H1261-I1265 WeakPolarHBondContact CE1-CD1 3.33Å; H1261-I1265 VanDerWaalsContact NE2-CD1 3.32Å; H1261-I1265 WeakPolarHBondContact NE2-CD1 3.47Å; H1261-I1265 WeakPolarHBondContact O-CG1 3.49Å; H1261-I1265 PolarHBondContact O-N 2.92Å; I1265-R1267 PolarHBondContact O-N 3.3Å; I1265-L1268 PolarHBondContact O-N 2.84Å; I1265-T1269 PolarHBondContact O-N 3.2Å; I1265-T1269 PolarHBondContact O-OG1 3.18Å; I1265-L1315 HydrophobicContact CD1-CB 4.07Å; I1265-L1315 HydrophobicContact CD1-CD1 3.76Å; I1265-L1315 HydrophobicContact CG1-CD1 3.72Å; I1265-R1318 VanDerWaalsContact CG2-CD 3.49Å |
| 1266 | Y | 73.2 | Confident | 73.2 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.3 | -32.9 | 178.9 | -173.9 | -97.4 | 0 | 0 | 0 | 111.7 | S1262 L1264 G1270 L1271 | S1262-Y1266 WeakPolarHBondContact O-CB 3.43Å; S1262-Y1266 PolarHBondContact O-N 2.95Å; S1262-Y1266 VanDerWaalsContact O-N 3.15Å; L1264-Y1266 VanDerWaalsContact C-N 3.34Å; L1264-Y1266 PolarHBondContact O-N 3.5Å; Y1266-G1270 PolarHBondContact O-N 3.46Å; Y1266-L1271 HydrophobicContact CE2-CD2 4.31Å; Y1266-L1271 HydrophobicContact CE2-CG 4.38Å; Y1266-L1271 WeakPolarHBondContact OH-CD1 3.14Å; Y1266-L1271 VanDerWaalsContact OH-CD2 3.26Å; Y1266-L1271 WeakPolarHBondContact OH-CD2 3.35Å; Y1266-L1271 WeakPolarHBondContact OH-CG 3.28Å |
| 1267 | R | 72.1 | Confident | 73.1 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -78.3 | -37.7 | 176 | -67.4 | -69.8 | -174.5 | 176.4 | -3.1 | 113.5 | A1263 L1264 I1265 | A1263-R1267 WeakPolarHBondContact O-CG 3.44Å; A1263-R1267 PolarHBondContact O-N 3.11Å; L1264-R1267 WeakPolarHBondContact O-CB 3.33Å; L1264-R1267 PolarHBondContact O-N 3.01Å; L1264-R1267 VanDerWaalsContact O-N 3.12Å; I1265-R1267 PolarHBondContact O-N 3.3Å |
| 1268 | L | 73.9 | Confident | 73 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.9 | -35 | 178.9 | -76.4 | 169.2 | 0 | 0 | 0 | 113.1 | T1234 I1235 L1238 L1264 I1265 Y1285 | T1234-L1268 HydrophobicContact CG2-CD1 4.31Å; T1234-L1268 HydrophobicContact CG2-CD2 4Å; T1234-L1268 HydrophobicContact CG2-CG 3.91Å; I1235-L1268 HydrophobicContact CD1-CD2 4.48Å; L1238-L1268 HydrophobicContact CD1-CD1 3.68Å; L1264-L1268 PolarHBondContact O-N 3.26Å; I1265-L1268 PolarHBondContact O-N 2.84Å; L1268-Y1285 HydrophobicContact CD2-CD2 4.3Å; L1268-Y1285 HydrophobicContact CD2-CE2 3.93Å |
| 1269 | T | 66.9 | Low | 72.8 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -99.3 | -16.7 | -172 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | I1265 P1276 R1318 F1319 | I1265-T1269 PolarHBondContact O-N 3.2Å; I1265-T1269 PolarHBondContact O-OG1 3.18Å; T1269-P1276 HydrophobicContact CG2-CG 4.27Å; T1269-R1318 HydrophobicContact CG2-CB 3.99Å; T1269-F1319 HydrophobicContact CG2-CE1 4.17Å |
| 1270 | G | 57.5 | Low | 72.5 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | trans | 75.7 | -179.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1266 | Y1266-G1270 PolarHBondContact O-N 3.46Š| ||
| 1271 | L | 51.9 | Low | 72 | Confident | 138 Ų | 138 | 63.1 Ų | 63.1 | 72% | 0.723 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -89 | -17.1 | 177.9 | -100.1 | 160.4 | 0 | 0 | 0 | 113.1 | Y1266 | Y1266-L1271 HydrophobicContact CE2-CD2 4.31Å; Y1266-L1271 HydrophobicContact CE2-CG 4.38Å; Y1266-L1271 WeakPolarHBondContact OH-CD1 3.14Å; Y1266-L1271 VanDerWaalsContact OH-CD2 3.26Å; Y1266-L1271 WeakPolarHBondContact OH-CD2 3.35Å; Y1266-L1271 WeakPolarHBondContact OH-CG 3.28Å |
| 1272 | D | 45.4 | Very low | 71.6 | Confident | 139 Ų | 139 | 63.1 Ų | 63.1 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -71 | 138.1 | -174 | -70.3 | -35.6 | 0 | 0 | 0 | 110 | E1274 | D1272-E1274 PolarHBondContact O-N 3.43Š|
| 1273 | L | 50.4 | Low | 71.4 | Confident | 181 Ų | 181 | 67.1 Ų | 67.1 | 95% | 0.948 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -63.9 | -2.6 | -176.1 | -79 | 157.6 | 0 | 0 | 0 | 113.8 | ||
| 1274 | E | 63.5 | Low | 71.1 | Confident | 168 Ų | 168 | 72.5 Ų | 72.5 | 79% | 0.785 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -100.8 | 124.4 | 177.6 | -68.8 | -174.1 | 168.3 | 0 | 0 | 110.3 | D1272 | D1272-E1274 PolarHBondContact O-N 3.43Š|
| 1275 | F | 74.8 | Confident | 70.8 | Confident | 108 Ų | 108 | 74.1 Ų | 74.1 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 134 | 175 | -67.8 | -45.8 | 0 | 0 | 0 | 110.3 | R1318 S1320 | F1275-R1318 VanDerWaalsContact CB-O 3.26Å; F1275-R1318 WeakPolarHBondContact CB-O 3.48Å; F1275-R1318 HydrophobicContact CD1-CB 4.03Å; F1275-R1318 HydrophobicContact CD1-CG 4.45Å; F1275-R1318 WeakPolarHBondContact CD1-O 3.26Å; F1275-R1318 HydrophobicContact CE1-CB 4.04Å; F1275-R1318 HydrophobicContact CE1-CG 3.95Å; F1275-R1318 WeakPolarHBondContact CG-O 3.1Å; F1275-S1320 PolarHBondContact O-OG 2.91Å; F1275-S1320 VanDerWaalsContact O-OG 3.09Å |
| 1276 | P | 77.9 | Confident | 70.7 | Confident | 33 Ų | 33 | 76.6 Ų | 76.6 | 21% | 0.214 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 148.4 | 178.8 | 25.8 | -33.9 | 0 | 0 | 0 | 111.9 | T1269 I1278 I1281 F1319 S1320 | T1269-P1276 HydrophobicContact CG2-CG 4.27Å; P1276-I1278 PolarHBondContact O-N 2.9Å; P1276-I1281 HydrophobicContact CB-CD1 3.83Å; P1276-I1281 HydrophobicContact CB-CG1 4.19Å; P1276-I1281 HydrophobicContact CG-CD1 3.39Å; P1276-I1281 HydrophobicContact CG-CG1 4.28Å; P1276-F1319 HydrophobicContact CG-CD1 4.2Å; P1276-F1319 CarbonylContact O-C 3.39Å; P1276-F1319 WeakPolarHBondContact O-CA 3.39Å; P1276-S1320 PolarHBondContact O-N 3.31Å; P1276-S1320 PolarHBondContact O-OG 2.94Å |
| 1277 | L | 81.3 | Confident | 71 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 134.3 | 176.4 | -68.4 | 166.6 | 0 | 0 | 0 | 110.2 | S1279 D1280 I1281 S1320 P1321 | L1277-S1279 PolarHBondContact O-N 3.35Å; L1277-D1280 HydrophobicContact CB-CB 4.24Å; L1277-D1280 PolarHBondContact O-N 3.32Å; L1277-I1281 PolarHBondContact O-N 2.92Å; L1277-S1320 VanDerWaalsContact CA-OG 3.25Å; L1277-S1320 WeakPolarHBondContact CA-OG 3.49Å; L1277-S1320 VanDerWaalsContact CD2-OG 3.27Å; L1277-S1320 WeakPolarHBondContact CD2-OG 3.34Å; L1277-S1320 PolarHBondContact N-OG 3.48Å; L1277-P1321 WeakPolarHBondContact CD2-O 3.39Å |
| 1278 | I | 82.7 | Confident | 71.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -34.5 | 177.3 | -168.9 | 161.3 | 0 | 0 | 0 | 111.4 | P1276 D1280 C1282 F1319 S1320 V1362 F1363 | P1276-I1278 PolarHBondContact O-N 2.9Å; I1278-D1280 VanDerWaalsContact C-N 3.33Å; I1278-D1280 PolarHBondContact O-N 3.09Å; I1278-C1282 WeakPolarHBondContact O-CB 3.48Å; I1278-C1282 PolarHBondContact O-N 2.96Å; I1278-C1282 PolarHBondContact O-SG 3.43Å; I1278-F1319 HydrophobicContact CB-CB 4.1Å; I1278-F1319 HydrophobicContact CD1-CD2 4.19Å; I1278-F1319 HydrophobicContact CG1-CD2 4.28Å; I1278-S1320 PolarHBondContact N-O 3.15Å; I1278-V1362 HydrophobicContact CB-CG1 3.95Å; I1278-V1362 HydrophobicContact CD1-CG1 3.65Å; I1278-V1362 HydrophobicContact CG1-CG1 4.39Å; I1278-V1362 HydrophobicContact CG2-CG1 4.12Å; I1278-F1363 HydrophobicContact CD1-CD1 3.97Å; I1278-F1363 HydrophobicContact CD1-CE1 3.34Å; I1278-F1363 HydrophobicContact CD1-CE2 4.03Å; I1278-F1363 HydrophobicContact CD1-CZ 3.37Å |
| 1279 | S | 78.6 | Confident | 71.8 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | L1277 C1282 F1283 S1322 | L1277-S1279 PolarHBondContact O-N 3.35Å; S1279-C1282 PolarHBondContact O-N 3.17Å; S1279-F1283 WeakPolarHBondContact O-CA 3.18Å; S1279-F1283 WeakPolarHBondContact O-CB 3.27Å; S1279-F1283 PolarHBondContact O-N 2.92Å; S1279-S1322 WeakPolarHBondContact CB-OG 3.41Å; S1279-S1322 PolarHBondContact N-OG 3.42Å; S1279-S1322 WeakPolarHBondContact OG-CB 3.37Å; S1279-S1322 PolarHBondContact OG-OG 3.08Å |
| 1280 | D | 78 | Confident | 72.4 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.4 | -41.4 | -173.9 | -63 | -2.5 | 0 | 0 | 0 | 109.7 | L1277 I1278 F1283 Q1284 | L1277-D1280 HydrophobicContact CB-CB 4.24Å; L1277-D1280 PolarHBondContact O-N 3.32Å; I1278-D1280 VanDerWaalsContact C-N 3.33Å; I1278-D1280 PolarHBondContact O-N 3.09Å; D1280-F1283 PolarHBondContact O-N 3.15Å; D1280-Q1284 WeakPolarHBondContact O-CB 3.25Å; D1280-Q1284 PolarHBondContact O-N 3.22Å |
| 1281 | I | 77.4 | Confident | 73.5 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 174.1 | -70.6 | -178 | 0 | 0 | 0 | 111.2 | P1276 L1277 F1283 Q1284 Y1285 M1288 F1319 | P1276-I1281 HydrophobicContact CB-CD1 3.83Å; P1276-I1281 HydrophobicContact CB-CG1 4.19Å; P1276-I1281 HydrophobicContact CG-CD1 3.39Å; P1276-I1281 HydrophobicContact CG-CG1 4.28Å; L1277-I1281 PolarHBondContact O-N 2.92Å; I1281-F1283 VanDerWaalsContact C-N 3.31Å; I1281-F1283 PolarHBondContact O-N 3.49Å; I1281-Q1284 PolarHBondContact O-N 3.31Å; I1281-Y1285 HydrophobicContact CG2-CD2 4.38Å; I1281-Y1285 WeakPolarHBondContact O-CA 3.28Å; I1281-Y1285 WeakPolarHBondContact O-CB 3.44Å; I1281-Y1285 PolarHBondContact O-N 3.18Å; I1281-M1288 HydrophobicContact CG2-CG 4.3Å; I1281-F1319 HydrophobicContact CD1-CD1 3.46Å; I1281-F1319 VanDerWaalsContact CD1-CD1 3.46Å; I1281-F1319 HydrophobicContact CD1-CE1 3.14Å; I1281-F1319 HydrophobicContact CD1-CZ 3.99Å; I1281-F1319 HydrophobicContact CG1-CE1 4.48Å; I1281-F1319 HydrophobicContact CG2-CZ 4.38Å |
| 1282 | C | 78.1 | Confident | 75.1 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.054 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.5 | -28.2 | 177.6 | -68 | 0 | 0 | 0 | 0 | 112.4 | I1278 S1279 Y1285 P1286 L1289 I1328 | I1278-C1282 WeakPolarHBondContact O-CB 3.48Å; I1278-C1282 PolarHBondContact O-N 2.96Å; I1278-C1282 PolarHBondContact O-SG 3.43Å; S1279-C1282 PolarHBondContact O-N 3.17Å; C1282-Y1285 CarbonylContact O-C 3.46Å; C1282-Y1285 VanDerWaalsContact O-C 3.28Å; C1282-P1286 WeakPolarHBondContact O-CA 3.47Å; C1282-L1289 HydrophobicContact CB-CD1 4.08Å; C1282-L1289 HydrophobicContact CB-CG 4.23Å; C1282-L1289 VanDerWaalsContact SG-CG 3.56Å; C1282-I1328 HydrophobicContact CB-CG1 4.49Å |
| 1283 | F | 75 | Confident | 76.8 | Confident | 154 Ų | 154 | 55.1 Ų | 55.1 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.9 | -44.5 | 172.5 | -179.6 | -96.8 | 0 | 0 | 0 | 110.7 | S1279 D1280 I1281 | S1279-F1283 WeakPolarHBondContact O-CA 3.18Å; S1279-F1283 WeakPolarHBondContact O-CB 3.27Å; S1279-F1283 PolarHBondContact O-N 2.92Å; D1280-F1283 PolarHBondContact O-N 3.15Å; I1281-F1283 VanDerWaalsContact C-N 3.31Å; I1281-F1283 PolarHBondContact O-N 3.49Å |
| 1284 | Q | 73.2 | Confident | 78.2 | Confident | 125 Ų | 125 | 51.6 Ų | 51.6 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.1 | -35.3 | 176.4 | -166.6 | 176.2 | 10 | 0 | 0 | 112.2 | D1280 I1281 | D1280-Q1284 WeakPolarHBondContact O-CB 3.25Å; D1280-Q1284 PolarHBondContact O-N 3.22Å; I1281-Q1284 PolarHBondContact O-N 3.31Å |
| 1285 | Y | 77 | Confident | 79 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 13% | 0.129 | 23% | 0.226 | C | C | . | . | trans | -135.5 | 78.4 | -176.6 | -52.8 | -67.1 | 0 | 0 | 0 | 111.6 | N1232 I1235 L1268 I1281 C1282 Q1287 M1288 | N1232-Y1285 HydrophobicContact CB-CD1 4.43Å; N1232-Y1285 HydrophobicContact CB-CE1 3.73Å; I1235-Y1285 HydrophobicContact CD1-CD1 4.02Å; I1235-Y1285 HydrophobicContact CD1-CD2 4.18Å; I1235-Y1285 HydrophobicContact CD1-CG 3.72Å; I1235-Y1285 HydrophobicContact CG1-CD1 3.46Å; I1235-Y1285 VanDerWaalsContact CG1-CD1 3.46Å; I1235-Y1285 HydrophobicContact CG1-CE1 4.07Å; I1235-Y1285 HydrophobicContact CG1-CG 3.71Å; L1268-Y1285 HydrophobicContact CD2-CD2 4.3Å; L1268-Y1285 HydrophobicContact CD2-CE2 3.93Å; I1281-Y1285 HydrophobicContact CG2-CD2 4.38Å; I1281-Y1285 WeakPolarHBondContact O-CA 3.28Å; I1281-Y1285 WeakPolarHBondContact O-CB 3.44Å; I1281-Y1285 PolarHBondContact O-N 3.18Å; C1282-Y1285 CarbonylContact O-C 3.46Å; C1282-Y1285 VanDerWaalsContact O-C 3.28Å; Y1285-Q1287 PolarHBondContact O-N 2.78Å; Y1285-Q1287 VanDerWaalsContact O-N 3.08Å; Y1285-M1288 WeakPolarHBondContact O-CB 3.34Å; Y1285-M1288 PolarHBondContact O-N 3.14Å | ||
| 1286 | P | 76.1 | Confident | 79.3 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30.5 | -177.2 | -27 | 34.9 | 0 | 0 | 0 | 114.7 | C1282 M1288 L1289 | C1282-P1286 WeakPolarHBondContact O-CA 3.47Å; P1286-M1288 PolarHBondContact O-N 2.89Å; P1286-L1289 PolarHBondContact O-N 3.44Å |
| 1287 | Q | 78.5 | Confident | 79 | Confident | 38 Ų | 38 | 42 Ų | 42 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -19.5 | 177.9 | -66.6 | 162.7 | -6.6 | 0 | 0 | 113.4 | I1235 Y1285 L1289 D1290 I1291 | I1235-Q1287 HydrophobicContact CG2-CB 4.09Å; Y1285-Q1287 PolarHBondContact O-N 2.78Å; Y1285-Q1287 VanDerWaalsContact O-N 3.08Å; Q1287-L1289 PolarHBondContact O-N 3.24Å; Q1287-D1290 WeakPolarHBondContact O-CB 3.04Å; Q1287-D1290 PolarHBondContact O-N 2.99Å; Q1287-D1290 VanDerWaalsContact O-N 3.1Å; Q1287-I1291 PolarHBondContact O-N 3.19Å |
| 1288 | M | 81.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.6 | -36.1 | 179.2 | -166.9 | 67.4 | 173.3 | 0 | 0 | 112.1 | I1235 L1238 I1281 Y1285 P1286 I1291 I1292 L1315 F1319 | I1235-M1288 HydrophobicContact CD1-SD 4.32Å; L1238-M1288 HydrophobicContact CD1-SD 4.37Å; I1281-M1288 HydrophobicContact CG2-CG 4.3Å; Y1285-M1288 WeakPolarHBondContact O-CB 3.34Å; Y1285-M1288 PolarHBondContact O-N 3.14Å; P1286-M1288 PolarHBondContact O-N 2.89Å; M1288-I1291 PolarHBondContact O-N 3.48Å; M1288-I1292 HydrophobicContact CE-CD1 4.49Å; M1288-I1292 HydrophobicContact CG-CD1 4.1Å; M1288-I1292 VanDerWaalsContact O-CG1 3.28Å; M1288-I1292 WeakPolarHBondContact O-CG1 3.37Å; M1288-I1292 PolarHBondContact O-N 2.68Å; M1288-L1315 HydrophobicContact CE-CD1 3.87Å; M1288-L1315 HydrophobicContact CE-CD2 3.38Å; M1288-L1315 HydrophobicContact CE-CG 3.71Å; M1288-F1319 HydrophobicContact CE-CE2 3.93Å; M1288-F1319 HydrophobicContact CE-CZ 3.73Å |
| 1289 | L | 81.4 | Confident | 76.9 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 176.5 | -71.5 | 165 | 0 | 0 | 0 | 112.2 | C1282 P1286 Q1287 I1292 S1293 I1328 I1336 F1363 | C1282-L1289 HydrophobicContact CB-CD1 4.08Å; C1282-L1289 HydrophobicContact CB-CG 4.23Å; C1282-L1289 VanDerWaalsContact SG-CG 3.56Å; P1286-L1289 PolarHBondContact O-N 3.44Å; Q1287-L1289 PolarHBondContact O-N 3.24Å; L1289-I1292 PolarHBondContact O-N 2.88Å; L1289-S1293 WeakPolarHBondContact O-CB 3.26Å; L1289-S1293 PolarHBondContact O-N 2.91Å; L1289-I1328 HydrophobicContact CD1-CB 4.48Å; L1289-I1328 HydrophobicContact CD1-CG1 4.47Å; L1289-I1328 HydrophobicContact CD1-CG2 3.46Å; L1289-I1328 VanDerWaalsContact CD1-CG2 3.46Å; L1289-I1328 HydrophobicContact CD2-CG2 4.28Å; L1289-I1336 HydrophobicContact CD2-CD1 4.17Å; L1289-F1363 HydrophobicContact CD2-CE1 4Å |
| 1290 | D | 80 | Confident | 76 | Confident | 63 Ų | 63 | 48.6 Ų | 48.6 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 177 | -66.8 | -36 | 0 | 0 | 0 | 111.1 | Q1287 S1293 N1294 K1332 | Q1287-D1290 WeakPolarHBondContact O-CB 3.04Å; Q1287-D1290 PolarHBondContact O-N 2.99Å; Q1287-D1290 VanDerWaalsContact O-N 3.1Å; D1290-S1293 PolarHBondContact O-N 3.31Å; D1290-N1294 VanDerWaalsContact O-CB 3.26Å; D1290-N1294 WeakPolarHBondContact O-CB 3.2Å; D1290-N1294 PolarHBondContact O-N 3.33Å; D1290-N1294 PolarHBondContact O-ND2 2.95Å; D1290-K1332 WeakPolarHBondContact OD1-CE 3.19Å; D1290-K1332 IonicContact OD1-NZ 3.4Å; D1290-K1332 PolarHBondContact OD1-NZ 2.96Å; D1290-K1332 IonicContact OD2-NZ 3.17Å |
| 1291 | I | 80.2 | Confident | 74.9 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -51.7 | 174 | -74.2 | 168 | 0 | 0 | 0 | 110.6 | I1235 Q1239 I1243 Q1287 M1288 N1294 C1295 | I1235-I1291 HydrophobicContact CG2-CD1 3.94Å; Q1239-I1291 HydrophobicContact CB-CD1 3.95Å; Q1239-I1291 HydrophobicContact CB-CG1 4.33Å; Q1239-I1291 HydrophobicContact CG-CD1 4.42Å; Q1239-I1291 HydrophobicContact CG-CG1 4.31Å; I1243-I1291 HydrophobicContact CD1-CB 4.3Å; I1243-I1291 HydrophobicContact CD1-CG1 4.25Å; I1243-I1291 HydrophobicContact CD1-CG2 3.43Å; I1243-I1291 VanDerWaalsContact CD1-CG2 3.43Å; Q1287-I1291 PolarHBondContact O-N 3.19Å; M1288-I1291 PolarHBondContact O-N 3.48Å; I1291-N1294 PolarHBondContact O-N 2.98Å; I1291-C1295 WeakPolarHBondContact O-CB 3.06Å; I1291-C1295 PolarHBondContact O-N 3.44Å; I1291-C1295 PolarHBondContact O-SG 3.37Å; I1291-C1295 VanDerWaalsContact O-SG 3.37Å |
| 1292 | I | 85 | Confident | 73.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 179.9 | -70 | 165.7 | 0 | 0 | 0 | 110.4 | M1288 L1289 N1294 C1295 L1296 I1316 I1336 F1363 | M1288-I1292 HydrophobicContact CE-CD1 4.49Å; M1288-I1292 HydrophobicContact CG-CD1 4.1Å; M1288-I1292 VanDerWaalsContact O-CG1 3.28Å; M1288-I1292 WeakPolarHBondContact O-CG1 3.37Å; M1288-I1292 PolarHBondContact O-N 2.68Å; L1289-I1292 PolarHBondContact O-N 2.88Å; I1292-N1294 PolarHBondContact O-N 3.16Å; I1292-C1295 PolarHBondContact O-N 3.49Å; I1292-L1296 HydrophobicContact CG2-CD1 3.76Å; I1292-L1296 HydrophobicContact CG2-CG 4.48Å; I1292-L1296 WeakPolarHBondContact O-CB 3.44Å; I1292-L1296 VanDerWaalsContact O-CG 3.25Å; I1292-L1296 WeakPolarHBondContact O-CG 3.43Å; I1292-L1296 PolarHBondContact O-N 2.98Å; I1292-I1316 HydrophobicContact CD1-CG1 4.16Å; I1292-I1316 HydrophobicContact CG1-CG1 4.35Å; I1292-I1316 HydrophobicContact CG2-CD1 3.8Å; I1292-I1316 HydrophobicContact CG2-CG1 4.36Å; I1292-I1336 HydrophobicContact CG2-CD1 4.12Å; I1292-I1336 HydrophobicContact CG2-CG1 4.48Å; I1292-I1336 HydrophobicContact CG2-CG2 4.41Å; I1292-F1363 HydrophobicContact CD1-CZ 4.37Å; I1292-F1363 HydrophobicContact CG2-CZ 4.22Å |
| 1293 | S | 82.6 | Confident | 72.6 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57 | -48.7 | 179.6 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | L1289 D1290 L1296 N1297 E1335 R1339 | L1289-S1293 WeakPolarHBondContact O-CB 3.26Å; L1289-S1293 PolarHBondContact O-N 2.91Å; D1290-S1293 PolarHBondContact O-N 3.31Å; S1293-L1296 CarbonylContact O-C 3.44Å; S1293-L1296 PolarHBondContact O-N 2.99Å; S1293-N1297 PolarHBondContact O-N 3.44Å; S1293-E1335 PolarHBondContact OG-OE2 3.33Å; S1293-R1339 PolarHBondContact O-NH1 3.48Å; S1293-R1339 PolarHBondContact OG-NH1 3.39Å |
| 1294 | N | 79.3 | Confident | 71.6 | Confident | 107 Ų | 107 | 58.7 Ų | 58.7 | 57% | 0.572 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.4 | -39.3 | -178.8 | -71.5 | -24.5 | 0 | 0 | 0 | 113.4 | D1290 I1291 I1292 L1296 N1297 | D1290-N1294 VanDerWaalsContact O-CB 3.26Å; D1290-N1294 WeakPolarHBondContact O-CB 3.2Å; D1290-N1294 PolarHBondContact O-N 3.33Å; D1290-N1294 PolarHBondContact O-ND2 2.95Å; I1291-N1294 PolarHBondContact O-N 2.98Å; I1292-N1294 PolarHBondContact O-N 3.16Å; N1294-L1296 PolarHBondContact O-N 2.87Å; N1294-N1297 WeakPolarHBondContact O-CB 3.41Å; N1294-N1297 PolarHBondContact O-N 2.91Å; N1294-N1297 VanDerWaalsContact O-N 3.09Å |
| 1295 | C | 79.3 | Confident | 70.9 | Confident | 17 Ų | 17 | 53 Ų | 53 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -29.6 | 174.6 | -73.5 | 0 | 0 | 0 | 0 | 112.4 | I1291 I1292 N1297 S1298 I1312 | I1291-C1295 WeakPolarHBondContact O-CB 3.06Å; I1291-C1295 PolarHBondContact O-N 3.44Å; I1291-C1295 PolarHBondContact O-SG 3.37Å; I1291-C1295 VanDerWaalsContact O-SG 3.37Å; I1292-C1295 PolarHBondContact O-N 3.49Å; C1295-N1297 VanDerWaalsContact C-N 3.25Å; C1295-N1297 PolarHBondContact O-N 3.18Å; C1295-S1298 PolarHBondContact O-OG 2.87Å; C1295-I1312 HydrophobicContact CB-CB 4.44Å; C1295-I1312 HydrophobicContact CB-CD1 4.07Å; C1295-I1312 HydrophobicContact CB-CG1 3.79Å; C1295-I1312 HydrophobicContact CB-CG2 4.09Å |
| 1296 | L | 81 | Confident | 70.4 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 9.1 | 174.1 | -63 | 172.7 | 0 | 0 | 0 | 113.3 | I1292 S1293 N1294 Y1300 L1309 I1336 R1339 L1340 I1343 | I1292-L1296 HydrophobicContact CG2-CD1 3.76Å; I1292-L1296 HydrophobicContact CG2-CG 4.48Å; I1292-L1296 WeakPolarHBondContact O-CB 3.44Å; I1292-L1296 VanDerWaalsContact O-CG 3.25Å; I1292-L1296 WeakPolarHBondContact O-CG 3.43Å; I1292-L1296 PolarHBondContact O-N 2.98Å; S1293-L1296 CarbonylContact O-C 3.44Å; S1293-L1296 PolarHBondContact O-N 2.99Å; N1294-L1296 PolarHBondContact O-N 2.87Å; L1296-Y1300 WeakPolarHBondContact CA-OH 3.44Å; L1296-Y1300 WeakPolarHBondContact CB-OH 3.49Å; L1296-Y1300 PolarHBondContact O-OH 2.92Å; L1296-L1309 HydrophobicContact CD2-CD1 3.79Å; L1296-I1336 HydrophobicContact CD1-CG2 3.89Å; L1296-R1339 HydrophobicContact CB-CB 4.21Å; L1296-R1339 WeakPolarHBondContact O-CD 3.34Å; L1296-L1340 HydrophobicContact CD1-CD2 4.11Å; L1296-L1340 HydrophobicContact CD1-CG 4.11Å; L1296-L1340 HydrophobicContact CD2-CD2 4.09Å; L1296-I1343 HydrophobicContact CD2-CD1 3.73Å |
| 1297 | N | 71.7 | Confident | 70.1 | Confident | 90 Ų | 90 | 53.8 Ų | 53.8 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -8.6 | 178.3 | -109.4 | -29.9 | 0 | 0 | 0 | 114.4 | S1293 N1294 C1295 R1339 | S1293-N1297 PolarHBondContact O-N 3.44Å; N1294-N1297 WeakPolarHBondContact O-CB 3.41Å; N1294-N1297 PolarHBondContact O-N 2.91Å; N1294-N1297 VanDerWaalsContact O-N 3.09Å; C1295-N1297 VanDerWaalsContact C-N 3.25Å; C1295-N1297 PolarHBondContact O-N 3.18Å; N1297-R1339 PolarHBondContact ND2-NH1 3.16Å; N1297-R1339 PolarHBondContact ND2-NH2 2.86Å; N1297-R1339 PolarHBondContact OD1-NE 3.5Å; N1297-R1339 PolarHBondContact OD1-NH2 3.49Å |
| 1298 | S | 63.3 | Low | 69.8 | Low | 37 Ų | 37 | 52.2 Ų | 52.2 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -73.5 | 140.3 | -175.2 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | C1295 Y1300 | C1295-S1298 PolarHBondContact O-OG 2.87Å; S1298-Y1300 VanDerWaalsContact O-CD1 3.31Å; S1298-Y1300 WeakPolarHBondContact O-CD1 3.14Å; S1298-Y1300 VanDerWaalsContact O-CD2 3.3Å; S1298-Y1300 WeakPolarHBondContact O-CD2 3.41Å; S1298-Y1300 WeakPolarHBondContact O-CE1 3.49Å; S1298-Y1300 WeakPolarHBondContact O-CE2 3.48Å; S1298-Y1300 VanDerWaalsContact O-CG 3.3Å; S1298-Y1300 PolarHBondContact O-N 2.6Å |
| 1299 | N | 57.8 | Low | 69.7 | Low | 144 Ų | 144 | 52.2 Ų | 52.2 | 77% | 0.77 | 28% | 0.281 | S | S | * | . | trans | -59.3 | 105.1 | 172.4 | -98.2 | -18.5 | 0 | 0 | 0 | 111.5 | Q1301 S1305 | N1299-Q1301 VanDerWaalsContact C-N 3.26Å; N1299-Q1301 PolarHBondContact O-N 3.15Å; N1299-S1305 WeakPolarHBondContact O-CB 3.35Å; N1299-S1305 PolarHBondContact O-OG 2.75Å | ||
| 1300 | Y | 60.4 | Low | 69.7 | Low | 22 Ų | 22 | 55.2 Ų | 55.2 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -6 | -167.8 | -57.8 | -68.7 | 0 | 0 | 0 | 116.9 | L1296 S1298 N1302 S1305 L1309 Y1342 I1343 | L1296-Y1300 WeakPolarHBondContact CA-OH 3.44Å; L1296-Y1300 WeakPolarHBondContact CB-OH 3.49Å; L1296-Y1300 PolarHBondContact O-OH 2.92Å; S1298-Y1300 VanDerWaalsContact O-CD1 3.31Å; S1298-Y1300 WeakPolarHBondContact O-CD1 3.14Å; S1298-Y1300 VanDerWaalsContact O-CD2 3.3Å; S1298-Y1300 WeakPolarHBondContact O-CD2 3.41Å; S1298-Y1300 WeakPolarHBondContact O-CE1 3.49Å; S1298-Y1300 WeakPolarHBondContact O-CE2 3.48Å; S1298-Y1300 VanDerWaalsContact O-CG 3.3Å; S1298-Y1300 PolarHBondContact O-N 2.6Å; Y1300-N1302 VanDerWaalsContact C-N 3.31Å; Y1300-S1305 VanDerWaalsContact C-OG 3.27Å; Y1300-S1305 WeakPolarHBondContact CA-OG 3.35Å; Y1300-S1305 PolarHBondContact O-OG 2.68Å; Y1300-L1309 HydrophobicContact CD1-CD2 3.94Å; Y1300-L1309 HydrophobicContact CE1-CD1 4.01Å; Y1300-L1309 HydrophobicContact CE1-CD2 4.17Å; Y1300-Y1342 AromaticContact CD2-CD1 3.98Å; Y1300-Y1342 HydrophobicContact CD2-CD1 3.98Å; Y1300-Y1342 HydrophobicContact CD2-CE1 4.2Å; Y1300-Y1342 HydrophobicContact CE2-CD1 4.43Å; Y1300-I1343 HydrophobicContact CD1-CD1 4.42Å; Y1300-I1343 HydrophobicContact CD1-CG1 4.17Å; Y1300-I1343 HydrophobicContact CD2-CG1 3.87Å; Y1300-I1343 HydrophobicContact CE1-CD1 3.74Å; Y1300-I1343 HydrophobicContact CE1-CG1 3.93Å; Y1300-I1343 HydrophobicContact CE2-CD1 3.96Å; Y1300-I1343 HydrophobicContact CE2-CG1 3.61Å; Y1300-I1343 HydrophobicContact CG-CG1 4.09Å; Y1300-I1343 VanDerWaalsContact CZ-CD1 3.42Å; Y1300-I1343 WeakPolarHBondContact OH-CD1 3.24Å |
| 1301 | Q | 54.5 | Low | 69.5 | Low | 149 Ų | 149 | 52.3 Ų | 52.3 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.7 | -179.9 | -67.5 | -168.7 | -7.3 | 0 | 0 | 112.8 | N1299 N1415 | N1299-Q1301 VanDerWaalsContact C-N 3.26Å; N1299-Q1301 PolarHBondContact O-N 3.15Å; Q1301-N1415 PolarHBondContact NE2-ND2 3.13Å |
| 1302 | N | 56.3 | Low | 69.7 | Low | 107 Ų | 107 | 52.3 Ų | 52.3 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -87.6 | 133.7 | 178.5 | -80.5 | -17.5 | 0 | 0 | 0 | 111.6 | Y1300 S1304 S1305 | Y1300-N1302 VanDerWaalsContact C-N 3.31Å; N1302-S1304 PolarHBondContact O-N 2.9Å; N1302-S1305 WeakPolarHBondContact O-CB 3.5Å; N1302-S1305 PolarHBondContact O-N 3.45Å; N1302-S1305 PolarHBondContact O-OG 3.39Å |
| 1303 | L | 50.4 | Low | 69.8 | Low | 155 Ų | 155 | 52.3 Ų | 52.3 | 81% | 0.812 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -48.1 | -33.6 | 175.8 | -104.3 | 133.3 | 0 | 0 | 0 | 114.1 | S1305 T1306 | L1303-S1305 VanDerWaalsContact C-N 3.32Å; L1303-S1305 PolarHBondContact O-N 2.82Å; L1303-T1306 WeakPolarHBondContact O-CB 3.37Å; L1303-T1306 PolarHBondContact O-N 3.42Å; L1303-T1306 PolarHBondContact O-OG1 3.34Å |
| 1304 | S | 54 | Low | 69.7 | Low | 59 Ų | 59 | 54.5 Ų | 54.5 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -31.7 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | N1302 T1306 | N1302-S1304 PolarHBondContact O-N 2.9Å; S1304-T1306 VanDerWaalsContact C-N 3.28Å; S1304-T1306 PolarHBondContact O-N 3.3Å |
| 1305 | S | 59.1 | Low | 69.9 | Low | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72 | -23.9 | 175.9 | 70.3 | 0 | 0 | 0 | 0 | 112.6 | N1299 Y1300 N1302 L1303 Q1307 T1308 L1309 | N1299-S1305 WeakPolarHBondContact O-CB 3.35Å; N1299-S1305 PolarHBondContact O-OG 2.75Å; Y1300-S1305 VanDerWaalsContact C-OG 3.27Å; Y1300-S1305 WeakPolarHBondContact CA-OG 3.35Å; Y1300-S1305 PolarHBondContact O-OG 2.68Å; N1302-S1305 WeakPolarHBondContact O-CB 3.5Å; N1302-S1305 PolarHBondContact O-N 3.45Å; N1302-S1305 PolarHBondContact O-OG 3.39Å; L1303-S1305 VanDerWaalsContact C-N 3.32Å; L1303-S1305 PolarHBondContact O-N 2.82Å; S1305-Q1307 VanDerWaalsContact C-N 3.35Å; S1305-T1308 PolarHBondContact O-OG1 3.04Å; S1305-L1309 VanDerWaalsContact O-CB 3.29Å; S1305-L1309 WeakPolarHBondContact O-CB 3.44Å; S1305-L1309 PolarHBondContact O-N 3.01Å; S1305-L1309 VanDerWaalsContact O-N 3.14Å |
| 1306 | T | 65.8 | Low | 70.3 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 20% | 0.202 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.1 | -34.9 | 178.9 | -40.6 | 0 | 0 | 0 | 0 | 111.5 | L1303 S1304 T1308 L1309 I1310 I1352 | L1303-T1306 WeakPolarHBondContact O-CB 3.37Å; L1303-T1306 PolarHBondContact O-N 3.42Å; L1303-T1306 PolarHBondContact O-OG1 3.34Å; S1304-T1306 VanDerWaalsContact C-N 3.28Å; S1304-T1306 PolarHBondContact O-N 3.3Å; T1306-T1308 VanDerWaalsContact C-N 3.29Å; T1306-T1308 PolarHBondContact O-N 3.49Å; T1306-L1309 PolarHBondContact O-N 3.32Å; T1306-I1310 PolarHBondContact O-N 2.9Å; T1306-I1352 HydrophobicContact CG2-CD1 3.2Å |
| 1307 | Q | 70.5 | Confident | 70.5 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -28.2 | -179.9 | -73 | 178.7 | -31.1 | 0 | 0 | 113.3 | W1254 S1305 P1311 | W1254-Q1307 PolarHBondContact NE1-O 2.93Å; S1305-Q1307 VanDerWaalsContact C-N 3.35Å; Q1307-P1311 VanDerWaalsContact O-CD 3.27Å; Q1307-P1311 WeakPolarHBondContact O-CD 3.29Å |
| 1308 | T | 71.8 | Confident | 71 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -91.6 | -30.3 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | F1246 N1247 S1305 T1306 P1311 I1312 | F1246-T1308 HydrophobicContact CB-CG2 3.59Å; F1246-T1308 WeakPolarHBondContact O-CG2 3.48Å; N1247-T1308 HydrophobicContact CB-CG2 4.35Å; N1247-T1308 WeakPolarHBondContact OD1-CG2 3.43Å; S1305-T1308 PolarHBondContact O-OG1 3.04Å; T1306-T1308 VanDerWaalsContact C-N 3.29Å; T1306-T1308 PolarHBondContact O-N 3.49Å; T1308-P1311 WeakPolarHBondContact O-CD 3.47Å; T1308-I1312 VanDerWaalsContact O-CG1 3.31Å; T1308-I1312 WeakPolarHBondContact O-CG1 3.44Å |
| 1309 | L | 80.2 | Confident | 72.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | -178.6 | -175.8 | 59.7 | 0 | 0 | 0 | 112.9 | L1296 Y1300 S1305 T1306 I1312 L1313 I1343 I1352 | L1296-L1309 HydrophobicContact CD2-CD1 3.79Å; Y1300-L1309 HydrophobicContact CD1-CD2 3.94Å; Y1300-L1309 HydrophobicContact CE1-CD1 4.01Å; Y1300-L1309 HydrophobicContact CE1-CD2 4.17Å; S1305-L1309 VanDerWaalsContact O-CB 3.29Å; S1305-L1309 WeakPolarHBondContact O-CB 3.44Å; S1305-L1309 PolarHBondContact O-N 3.01Å; S1305-L1309 VanDerWaalsContact O-N 3.14Å; T1306-L1309 PolarHBondContact O-N 3.32Å; L1309-I1312 PolarHBondContact O-N 2.86Å; L1309-L1313 HydrophobicContact CD1-CD1 3.88Å; L1309-L1313 HydrophobicContact CD1-CD2 4.25Å; L1309-L1313 HydrophobicContact CD1-CG 3.8Å; L1309-L1313 HydrophobicContact CD2-CD1 4.33Å; L1309-L1313 HydrophobicContact CG-CD1 3.72Å; L1309-L1313 HydrophobicContact CG-CG 4.09Å; L1309-L1313 WeakPolarHBondContact O-CG 3.2Å; L1309-L1313 PolarHBondContact O-N 3.18Å; L1309-I1343 HydrophobicContact CD1-CD1 3.73Å; L1309-I1343 HydrophobicContact CD2-CD1 4.31Å; L1309-I1343 HydrophobicContact CD2-CG1 4.45Å; L1309-I1343 HydrophobicContact CD2-CG2 3.97Å; L1309-I1352 HydrophobicContact CD2-CD1 4.46Å; L1309-I1352 HydrophobicContact CD2-CG2 3.46Å; L1309-I1352 VanDerWaalsContact CD2-CG2 3.46Å; L1309-I1352 HydrophobicContact CG-CG2 4.21Å |
| 1310 | I | 80.1 | Confident | 73.1 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.6 | -51.5 | -176.3 | -66.5 | 168.5 | 0 | 0 | 0 | 112.4 | T1306 I1312 L1313 T1314 I1352 L1355 | T1306-I1310 PolarHBondContact O-N 2.9Å; I1310-I1312 VanDerWaalsContact C-N 3.31Å; I1310-I1312 PolarHBondContact O-N 3.36Å; I1310-L1313 PolarHBondContact O-N 3.5Å; I1310-T1314 WeakPolarHBondContact O-CB 3Å; I1310-T1314 PolarHBondContact O-N 2.96Å; I1310-T1314 PolarHBondContact O-OG1 2.94Å; I1310-I1352 HydrophobicContact CD1-CD1 4.21Å; I1310-I1352 HydrophobicContact CD1-CG1 4.48Å; I1310-I1352 HydrophobicContact CG1-CD1 3.86Å; I1310-I1352 HydrophobicContact CG1-CG1 3.91Å; I1310-L1355 HydrophobicContact CG2-CD1 4.45Å |
| 1311 | P | 75.3 | Confident | 74 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 179.6 | -24.8 | 35.4 | 0 | 0 | 0 | 113 | F1246 Q1307 T1308 T1314 L1315 | F1246-P1311 HydrophobicContact CD1-CG 4.09Å; F1246-P1311 HydrophobicContact CD2-CB 3.84Å; F1246-P1311 HydrophobicContact CD2-CG 3.86Å; F1246-P1311 HydrophobicContact CE1-CB 4.17Å; F1246-P1311 HydrophobicContact CE1-CG 3.77Å; F1246-P1311 HydrophobicContact CE2-CB 3.14Å; F1246-P1311 HydrophobicContact CE2-CG 3.52Å; F1246-P1311 HydrophobicContact CG-CG 4.14Å; F1246-P1311 HydrophobicContact CZ-CB 3.35Å; F1246-P1311 HydrophobicContact CZ-CG 3.48Å; F1246-P1311 VanDerWaalsContact CZ-CG 3.48Å; Q1307-P1311 VanDerWaalsContact O-CD 3.27Å; Q1307-P1311 WeakPolarHBondContact O-CD 3.29Å; T1308-P1311 WeakPolarHBondContact O-CD 3.47Å; P1311-T1314 WeakPolarHBondContact O-CB 3.28Å; P1311-T1314 PolarHBondContact O-N 3.37Å; P1311-L1315 WeakPolarHBondContact O-CB 3.44Å; P1311-L1315 PolarHBondContact O-N 3.11Å |
| 1312 | I | 85.4 | Confident | 74.9 | Confident | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.3 | -43.5 | -179.6 | -64.4 | -67.9 | 0 | 0 | 0 | 111.5 | C1295 T1308 L1309 I1310 T1314 L1315 I1316 | C1295-I1312 HydrophobicContact CB-CB 4.44Å; C1295-I1312 HydrophobicContact CB-CD1 4.07Å; C1295-I1312 HydrophobicContact CB-CG1 3.79Å; C1295-I1312 HydrophobicContact CB-CG2 4.09Å; T1308-I1312 VanDerWaalsContact O-CG1 3.31Å; T1308-I1312 WeakPolarHBondContact O-CG1 3.44Å; L1309-I1312 PolarHBondContact O-N 2.86Å; I1310-I1312 VanDerWaalsContact C-N 3.31Å; I1310-I1312 PolarHBondContact O-N 3.36Å; I1312-T1314 VanDerWaalsContact C-N 3.27Å; I1312-T1314 PolarHBondContact O-N 3.45Å; I1312-L1315 HydrophobicContact CD1-CD2 4.47Å; I1312-L1315 WeakPolarHBondContact O-CB 3.41Å; I1312-L1315 PolarHBondContact O-N 3.47Å; I1312-I1316 HydrophobicContact CG2-CD1 4.13Å; I1312-I1316 WeakPolarHBondContact O-CG1 3.32Å; I1312-I1316 PolarHBondContact O-N 3.07Å |
| 1313 | L | 86.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 172.7 | -68.2 | 176.4 | 0 | 0 | 0 | 111.2 | L1309 I1310 L1315 I1316 V1317 L1340 I1352 L1355 A1356 A1359 | L1309-L1313 HydrophobicContact CD1-CD1 3.88Å; L1309-L1313 HydrophobicContact CD1-CD2 4.25Å; L1309-L1313 HydrophobicContact CD1-CG 3.8Å; L1309-L1313 HydrophobicContact CD2-CD1 4.33Å; L1309-L1313 HydrophobicContact CG-CD1 3.72Å; L1309-L1313 HydrophobicContact CG-CG 4.09Å; L1309-L1313 WeakPolarHBondContact O-CG 3.2Å; L1309-L1313 PolarHBondContact O-N 3.18Å; I1310-L1313 PolarHBondContact O-N 3.5Å; L1313-L1315 VanDerWaalsContact C-N 3.31Å; L1313-L1315 PolarHBondContact O-N 2.78Å; L1313-I1316 PolarHBondContact O-N 3.32Å; L1313-V1317 WeakPolarHBondContact O-CB 3.45Å; L1313-V1317 WeakPolarHBondContact O-CG2 3.49Å; L1313-V1317 PolarHBondContact O-N 3.31Å; L1313-L1340 HydrophobicContact CD2-CD2 3.7Å; L1313-I1352 HydrophobicContact CD1-CG2 3.91Å; L1313-L1355 HydrophobicContact CB-CB 3.91Å; L1313-L1355 HydrophobicContact CB-CD1 4.46Å; L1313-L1355 HydrophobicContact CD1-CB 3.87Å; L1313-L1355 HydrophobicContact CG-CB 4.49Å; L1313-A1356 HydrophobicContact CD1-CB 4.3Å; L1313-A1356 HydrophobicContact CD2-CB 4.33Å; L1313-A1359 HydrophobicContact CD2-CB 3.81Å |
| 1314 | T | 81 | Confident | 75.8 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 112 | I1310 P1311 I1312 | I1310-T1314 WeakPolarHBondContact O-CB 3Å; I1310-T1314 PolarHBondContact O-N 2.96Å; I1310-T1314 PolarHBondContact O-OG1 2.94Å; P1311-T1314 WeakPolarHBondContact O-CB 3.28Å; P1311-T1314 PolarHBondContact O-N 3.37Å; I1312-T1314 VanDerWaalsContact C-N 3.27Å; I1312-T1314 PolarHBondContact O-N 3.45Å |
| 1315 | L | 83.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -49.8 | 172.8 | 176.5 | 63.9 | 0 | 0 | 0 | 111.3 | I1265 M1288 P1311 I1312 L1313 V1317 R1318 F1319 | I1265-L1315 HydrophobicContact CD1-CB 4.07Å; I1265-L1315 HydrophobicContact CD1-CD1 3.76Å; I1265-L1315 HydrophobicContact CG1-CD1 3.72Å; M1288-L1315 HydrophobicContact CE-CD1 3.87Å; M1288-L1315 HydrophobicContact CE-CD2 3.38Å; M1288-L1315 HydrophobicContact CE-CG 3.71Å; P1311-L1315 WeakPolarHBondContact O-CB 3.44Å; P1311-L1315 PolarHBondContact O-N 3.11Å; I1312-L1315 HydrophobicContact CD1-CD2 4.47Å; I1312-L1315 WeakPolarHBondContact O-CB 3.41Å; I1312-L1315 PolarHBondContact O-N 3.47Å; L1313-L1315 VanDerWaalsContact C-N 3.31Å; L1313-L1315 PolarHBondContact O-N 2.78Å; L1315-V1317 VanDerWaalsContact C-N 3.34Å; L1315-V1317 PolarHBondContact O-N 3.29Å; L1315-R1318 PolarHBondContact O-N 3.28Å; L1315-R1318 VanDerWaalsContact O-N 3.17Å; L1315-F1319 HydrophobicContact CD1-CZ 3.9Å; L1315-F1319 HydrophobicContact CG-CE2 4.28Å; L1315-F1319 HydrophobicContact CG-CZ 4.16Å |
| 1316 | I | 87.5 | Confident | 76 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | -179.9 | -61.3 | 162.9 | 0 | 0 | 0 | 111.1 | I1292 I1312 L1313 R1318 F1319 A1359 V1362 F1363 | I1292-I1316 HydrophobicContact CD1-CG1 4.16Å; I1292-I1316 HydrophobicContact CG1-CG1 4.35Å; I1292-I1316 HydrophobicContact CG2-CD1 3.8Å; I1292-I1316 HydrophobicContact CG2-CG1 4.36Å; I1312-I1316 HydrophobicContact CG2-CD1 4.13Å; I1312-I1316 WeakPolarHBondContact O-CG1 3.32Å; I1312-I1316 PolarHBondContact O-N 3.07Å; L1313-I1316 PolarHBondContact O-N 3.32Å; I1316-R1318 PolarHBondContact O-N 3Å; I1316-R1318 VanDerWaalsContact O-N 3.07Å; I1316-F1319 WeakPolarHBondContact O-CB 3.43Å; I1316-F1319 PolarHBondContact O-N 3.26Å; I1316-A1359 HydrophobicContact CB-CB 4.01Å; I1316-A1359 HydrophobicContact CD1-CB 4.36Å; I1316-A1359 HydrophobicContact CG2-CB 3.67Å; I1316-V1362 HydrophobicContact CG2-CB 4.06Å; I1316-V1362 HydrophobicContact CG2-CG1 4.23Å; I1316-V1362 HydrophobicContact CG2-CG2 4.21Å; I1316-F1363 HydrophobicContact CD1-CE2 4.42Å; I1316-F1363 HydrophobicContact CG2-CD2 4.42Å; I1316-F1363 HydrophobicContact CG2-CE2 3.76Å |
| 1317 | V | 86.1 | Confident | 75.3 | Confident | 35 Ų | 35 | 42 Ų | 42 | 21% | 0.212 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.4 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | L1313 L1315 F1319 L1355 K1358 A1359 | L1313-V1317 WeakPolarHBondContact O-CB 3.45Å; L1313-V1317 WeakPolarHBondContact O-CG2 3.49Å; L1313-V1317 PolarHBondContact O-N 3.31Å; L1315-V1317 VanDerWaalsContact C-N 3.34Å; L1315-V1317 PolarHBondContact O-N 3.29Å; V1317-F1319 VanDerWaalsContact C-N 3.31Å; V1317-L1355 HydrophobicContact CG2-CD2 4.26Å; V1317-K1358 HydrophobicContact CG1-CB 4.26Å; V1317-K1358 HydrophobicContact CG1-CD 4.25Å; V1317-K1358 HydrophobicContact CG2-CB 3.64Å; V1317-A1359 HydrophobicContact CG2-CB 4.29Å |
| 1318 | R | 81.6 | Confident | 74.7 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 10.9 | 173 | -69.2 | -172 | 172.3 | -131.6 | -0.2 | 114.1 | I1265 T1269 F1275 L1315 I1316 | I1265-R1318 VanDerWaalsContact CG2-CD 3.49Å; T1269-R1318 HydrophobicContact CG2-CB 3.99Å; F1275-R1318 VanDerWaalsContact CB-O 3.26Å; F1275-R1318 WeakPolarHBondContact CB-O 3.48Å; F1275-R1318 HydrophobicContact CD1-CB 4.03Å; F1275-R1318 HydrophobicContact CD1-CG 4.45Å; F1275-R1318 WeakPolarHBondContact CD1-O 3.26Å; F1275-R1318 HydrophobicContact CE1-CB 4.04Å; F1275-R1318 HydrophobicContact CE1-CG 3.95Å; F1275-R1318 WeakPolarHBondContact CG-O 3.1Å; L1315-R1318 PolarHBondContact O-N 3.28Å; L1315-R1318 VanDerWaalsContact O-N 3.17Å; I1316-R1318 PolarHBondContact O-N 3Å; I1316-R1318 VanDerWaalsContact O-N 3.07Å |
| 1319 | F | 85.3 | Confident | 73.9 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -110.3 | 152 | 172 | -54 | -38.9 | 0 | 0 | 0 | 110.9 | T1269 P1276 I1278 I1281 M1288 L1315 I1316 V1317 V1362 | T1269-F1319 HydrophobicContact CG2-CE1 4.17Å; P1276-F1319 HydrophobicContact CG-CD1 4.2Å; P1276-F1319 CarbonylContact O-C 3.39Å; P1276-F1319 WeakPolarHBondContact O-CA 3.39Å; I1278-F1319 HydrophobicContact CB-CB 4.1Å; I1278-F1319 HydrophobicContact CD1-CD2 4.19Å; I1278-F1319 HydrophobicContact CG1-CD2 4.28Å; I1281-F1319 HydrophobicContact CD1-CD1 3.46Å; I1281-F1319 VanDerWaalsContact CD1-CD1 3.46Å; I1281-F1319 HydrophobicContact CD1-CE1 3.14Å; I1281-F1319 HydrophobicContact CD1-CZ 3.99Å; I1281-F1319 HydrophobicContact CG1-CE1 4.48Å; I1281-F1319 HydrophobicContact CG2-CZ 4.38Å; M1288-F1319 HydrophobicContact CE-CE2 3.93Å; M1288-F1319 HydrophobicContact CE-CZ 3.73Å; L1315-F1319 HydrophobicContact CD1-CZ 3.9Å; L1315-F1319 HydrophobicContact CG-CE2 4.28Å; L1315-F1319 HydrophobicContact CG-CZ 4.16Å; I1316-F1319 WeakPolarHBondContact O-CB 3.43Å; I1316-F1319 PolarHBondContact O-N 3.26Å; V1317-F1319 VanDerWaalsContact C-N 3.31Å; F1319-V1362 HydrophobicContact CB-CG1 3.83Å; F1319-V1362 WeakPolarHBondContact O-CG2 3.48Å |
| 1320 | S | 80.1 | Confident | 73 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 20% | 0.203 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 148.8 | 170.7 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | F1275 P1276 L1277 I1278 | F1275-S1320 PolarHBondContact O-OG 2.91Å; F1275-S1320 VanDerWaalsContact O-OG 3.09Å; P1276-S1320 PolarHBondContact O-N 3.31Å; P1276-S1320 PolarHBondContact O-OG 2.94Å; L1277-S1320 VanDerWaalsContact CA-OG 3.25Å; L1277-S1320 WeakPolarHBondContact CA-OG 3.49Å; L1277-S1320 VanDerWaalsContact CD2-OG 3.27Å; L1277-S1320 WeakPolarHBondContact CD2-OG 3.34Å; L1277-S1320 PolarHBondContact N-OG 3.48Å; I1278-S1320 PolarHBondContact N-O 3.15Å |
| 1321 | P | 78.8 | Confident | 72.6 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.7 | 176.4 | 26.5 | -33 | 0 | 0 | 0 | 112.1 | L1277 V1362 P1366 | L1277-P1321 WeakPolarHBondContact CD2-O 3.39Å; P1321-V1362 VanDerWaalsContact CA-O 3.32Å; P1321-V1362 WeakPolarHBondContact CA-O 3.42Å; P1321-V1362 WeakPolarHBondContact CB-O 3.31Å; P1321-P1366 HydrophobicContact CB-CG 4.36Å |
| 1322 | S | 73.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 141 | -175.9 | -63 | 0 | 0 | 0 | 0 | 112.9 | S1279 D1324 P1366 | S1279-S1322 WeakPolarHBondContact CB-OG 3.41Å; S1279-S1322 PolarHBondContact N-OG 3.42Å; S1279-S1322 WeakPolarHBondContact OG-CB 3.37Å; S1279-S1322 PolarHBondContact OG-OG 3.08Å; S1322-D1324 VanDerWaalsContact C-N 3.31Å; S1322-D1324 PolarHBondContact O-N 3.38Å; S1322-P1366 WeakPolarHBondContact O-CD 3.47Å |
| 1323 | F | 65.3 | Low | 72.2 | Confident | 152 Ų | 152 | 49.7 Ų | 49.7 | 67% | 0.667 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -67.1 | -27.8 | -179 | -66.7 | -77.7 | 0 | 0 | 0 | 114.4 | P1366 | F1323-P1366 HydrophobicContact CD1-CB 3.86Å; F1323-P1366 HydrophobicContact CD1-CG 3.82Å; F1323-P1366 HydrophobicContact CE1-CB 3.86Å; F1323-P1366 HydrophobicContact CE1-CG 4.02Å; F1323-P1366 HydrophobicContact CG-CG 4.32Å |
| 1324 | D | 60.3 | Low | 71.7 | Confident | 95 Ų | 95 | 53.3 Ų | 53.3 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | trans | -133.4 | 109.8 | 179.3 | -166.6 | 5.1 | 0 | 0 | 0 | 110.4 | S1322 S1326 | S1322-D1324 VanDerWaalsContact C-N 3.31Å; S1322-D1324 PolarHBondContact O-N 3.38Å; D1324-S1326 VanDerWaalsContact C-N 3.27Å; D1324-S1326 WeakPolarHBondContact OD1-CB 3.45Å; D1324-S1326 PolarHBondContact OD1-N 3.04Å; D1324-S1326 PolarHBondContact OD1-OG 3.45Å; D1324-S1326 PolarHBondContact OD2-OG 3.26Å | ||
| 1325 | H | 56.6 | Low | 71.7 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 10% | 0.097 | 30% | 0.297 | C | S | . | . | trans | -86.5 | 5.9 | 171.8 | -66.8 | -43.4 | 0 | 0 | 0 | 112.3 | L1327 I1328 I1333 F1363 C1365 | H1325-L1327 PolarHBondContact O-N 3.3Å; H1325-L1327 VanDerWaalsContact O-N 3.16Å; H1325-I1328 CarbonylContact O-C 2.88Å; H1325-I1328 WeakPolarHBondContact O-CA 3.24Å; H1325-I1328 PolarHBondContact O-N 3.39Å; H1325-I1333 HydrophobicContact CB-CD1 3.67Å; H1325-F1363 PolarHBondContact NE2-O 3.1Å; H1325-C1365 PolarHBondContact CD2-SG 2.8Å | ||
| 1326 | S | 60.8 | Low | 71.8 | Confident | 87 Ų | 87 | 54.5 Ų | 54.5 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30 | 176.2 | 69.2 | 0 | 0 | 0 | 0 | 113.3 | D1324 I1328 | D1324-S1326 VanDerWaalsContact C-N 3.27Å; D1324-S1326 WeakPolarHBondContact OD1-CB 3.45Å; D1324-S1326 PolarHBondContact OD1-N 3.04Å; D1324-S1326 PolarHBondContact OD1-OG 3.45Å; D1324-S1326 PolarHBondContact OD2-OG 3.26Å; S1326-I1328 VanDerWaalsContact C-N 3.27Å; S1326-I1328 PolarHBondContact O-N 3.26Å |
| 1327 | L | 51.4 | Low | 71.7 | Confident | 123 Ų | 123 | 55.1 Ų | 55.1 | 64% | 0.644 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13 | 175.7 | -68 | 170.2 | 0 | 0 | 0 | 113.3 | H1325 | H1325-L1327 PolarHBondContact O-N 3.3Å; H1325-L1327 VanDerWaalsContact O-N 3.16Å |
| 1328 | I | 56.7 | Low | 71.5 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -105.5 | 138.7 | 177.9 | -60.8 | 166.1 | 0 | 0 | 0 | 108.3 | C1282 L1289 H1325 S1326 S1330 I1333 | C1282-I1328 HydrophobicContact CB-CG1 4.49Å; L1289-I1328 HydrophobicContact CD1-CB 4.48Å; L1289-I1328 HydrophobicContact CD1-CG1 4.47Å; L1289-I1328 HydrophobicContact CD1-CG2 3.46Å; L1289-I1328 VanDerWaalsContact CD1-CG2 3.46Å; L1289-I1328 HydrophobicContact CD2-CG2 4.28Å; H1325-I1328 CarbonylContact O-C 2.88Å; H1325-I1328 WeakPolarHBondContact O-CA 3.24Å; H1325-I1328 PolarHBondContact O-N 3.39Å; S1326-I1328 VanDerWaalsContact C-N 3.27Å; S1326-I1328 PolarHBondContact O-N 3.26Å; I1328-S1330 PolarHBondContact O-N 2.95Å; I1328-I1333 HydrophobicContact CB-CD1 3.71Å; I1328-I1333 HydrophobicContact CB-CG1 4.44Å; I1328-I1333 HydrophobicContact CD1-CD1 4.22Å; I1328-I1333 HydrophobicContact CG2-CD1 3.36Å; I1328-I1333 HydrophobicContact CG2-CG1 3.55Å |
| 1329 | V | 56.7 | Low | 71.7 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | trans | -59.7 | 107 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | S1331 K1332 I1333 | V1329-S1331 WeakPolarHBondContact CG1-OG 3.09Å; V1329-S1331 PolarHBondContact O-N 2.93Å; V1329-S1331 VanDerWaalsContact O-N 3.17Å; V1329-K1332 HydrophobicContact CB-CD 4.44Å; V1329-K1332 HydrophobicContact CB-CG 4.42Å; V1329-K1332 HydrophobicContact CG1-CG 4.38Å; V1329-K1332 PolarHBondContact O-N 3.23Å; V1329-I1333 PolarHBondContact O-N 3.06Å | ||
| 1330 | S | 61.2 | Low | 71.9 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -53.3 | -40 | -173.7 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | I1328 K1332 I1333 D1334 | I1328-S1330 PolarHBondContact O-N 2.95Å; S1330-K1332 VanDerWaalsContact C-N 3.28Å; S1330-K1332 PolarHBondContact O-N 3.28Å; S1330-I1333 PolarHBondContact O-N 2.74Å; S1330-D1334 PolarHBondContact O-N 3.34Å |
| 1331 | S | 70.5 | Confident | 72.2 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 53% | 0.531 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 179.3 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | V1329 E1335 | V1329-S1331 WeakPolarHBondContact CG1-OG 3.09Å; V1329-S1331 PolarHBondContact O-N 2.93Å; V1329-S1331 VanDerWaalsContact O-N 3.17Å; S1331-E1335 PolarHBondContact O-N 3.46Å |
| 1332 | K | 75.6 | Confident | 72.5 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 27% | 0.274 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -78.3 | -34.1 | 176.8 | -74.9 | -175 | -180 | 177.1 | 0 | 112.3 | D1290 V1329 S1330 D1334 E1335 I1336 | D1290-K1332 WeakPolarHBondContact OD1-CE 3.19Å; D1290-K1332 IonicContact OD1-NZ 3.4Å; D1290-K1332 PolarHBondContact OD1-NZ 2.96Å; D1290-K1332 IonicContact OD2-NZ 3.17Å; V1329-K1332 HydrophobicContact CB-CD 4.44Å; V1329-K1332 HydrophobicContact CB-CG 4.42Å; V1329-K1332 HydrophobicContact CG1-CG 4.38Å; V1329-K1332 PolarHBondContact O-N 3.23Å; S1330-K1332 VanDerWaalsContact C-N 3.28Å; S1330-K1332 PolarHBondContact O-N 3.28Å; K1332-D1334 VanDerWaalsContact C-N 3.34Å; K1332-E1335 PolarHBondContact O-N 3.05Å; K1332-I1336 WeakPolarHBondContact O-CG1 3.44Å; K1332-I1336 PolarHBondContact O-N 2.87Å |
| 1333 | I | 77.2 | Confident | 73.1 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.5 | -69.9 | 173.5 | 0 | 0 | 0 | 109.4 | H1325 I1328 V1329 S1330 E1335 I1336 L1337 F1363 | H1325-I1333 HydrophobicContact CB-CD1 3.67Å; I1328-I1333 HydrophobicContact CB-CD1 3.71Å; I1328-I1333 HydrophobicContact CB-CG1 4.44Å; I1328-I1333 HydrophobicContact CD1-CD1 4.22Å; I1328-I1333 HydrophobicContact CG2-CD1 3.36Å; I1328-I1333 HydrophobicContact CG2-CG1 3.55Å; V1329-I1333 PolarHBondContact O-N 3.06Å; S1330-I1333 PolarHBondContact O-N 2.74Å; I1333-E1335 VanDerWaalsContact C-N 3.26Å; I1333-E1335 PolarHBondContact O-N 3.49Å; I1333-I1336 PolarHBondContact O-N 3.41Å; I1333-I1336 VanDerWaalsContact O-N 3.13Å; I1333-L1337 HydrophobicContact CG2-CD1 3.75Å; I1333-L1337 HydrophobicContact CG2-CG 4.09Å; I1333-L1337 WeakPolarHBondContact O-CB 3.48Å; I1333-L1337 WeakPolarHBondContact O-CG 3.41Å; I1333-L1337 PolarHBondContact O-N 3.4Å; I1333-F1363 HydrophobicContact CG1-CD1 4.43Å; I1333-F1363 HydrophobicContact CG2-CB 4.35Å |
| 1334 | D | 76.9 | Confident | 74.2 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 178.5 | -69.5 | -24.3 | 0 | 0 | 0 | 111.8 | S1330 K1332 N1338 | S1330-D1334 PolarHBondContact O-N 3.34Å; K1332-D1334 VanDerWaalsContact C-N 3.34Å; D1334-N1338 WeakPolarHBondContact O-CB 3.44Å; D1334-N1338 PolarHBondContact O-N 3.11Å; D1334-N1338 PolarHBondContact O-ND2 2.92Å |
| 1335 | E | 81.2 | Confident | 75.4 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 174.8 | -172.5 | -176.9 | -157.3 | 0 | 0 | 112.4 | S1293 S1331 K1332 I1333 R1339 | S1293-E1335 PolarHBondContact OG-OE2 3.33Å; S1331-E1335 PolarHBondContact O-N 3.46Å; K1332-E1335 PolarHBondContact O-N 3.05Å; I1333-E1335 VanDerWaalsContact C-N 3.26Å; I1333-E1335 PolarHBondContact O-N 3.49Å; E1335-R1339 WeakPolarHBondContact O-CG 3.4Å; E1335-R1339 PolarHBondContact O-N 3.27Å; E1335-R1339 IonicContact OE1-CZ 3.11Å; E1335-R1339 IonicContact OE1-NH1 2.71Å; E1335-R1339 IonicContact OE1-NH2 3.54Å; E1335-R1339 PolarHBondContact OE1-NH2 3.31Å |
| 1336 | I | 84.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 176.7 | -70.2 | 167.4 | 0 | 0 | 0 | 111 | L1289 I1292 L1296 K1332 I1333 R1339 L1340 F1363 | L1289-I1336 HydrophobicContact CD2-CD1 4.17Å; I1292-I1336 HydrophobicContact CG2-CD1 4.12Å; I1292-I1336 HydrophobicContact CG2-CG1 4.48Å; I1292-I1336 HydrophobicContact CG2-CG2 4.41Å; L1296-I1336 HydrophobicContact CD1-CG2 3.89Å; K1332-I1336 WeakPolarHBondContact O-CG1 3.44Å; K1332-I1336 PolarHBondContact O-N 2.87Å; I1333-I1336 PolarHBondContact O-N 3.41Å; I1333-I1336 VanDerWaalsContact O-N 3.13Å; I1336-R1339 PolarHBondContact O-N 3.41Å; I1336-L1340 HydrophobicContact CG2-CD1 3.83Å; I1336-L1340 HydrophobicContact CG2-CG 4.34Å; I1336-L1340 WeakPolarHBondContact O-CG 3.27Å; I1336-L1340 PolarHBondContact O-N 3.01Å; I1336-F1363 HydrophobicContact CD1-CE1 4.08Å; I1336-F1363 HydrophobicContact CD1-CZ 4.18Å; I1336-F1363 HydrophobicContact CG2-CD1 4.49Å; I1336-F1363 HydrophobicContact CG2-CD2 3.94Å; I1336-F1363 HydrophobicContact CG2-CE1 4.29Å; I1336-F1363 HydrophobicContact CG2-CE2 3.71Å; I1336-F1363 HydrophobicContact CG2-CG 4.32Å; I1336-F1363 HydrophobicContact CG2-CZ 3.9Å |
| 1337 | L | 84.4 | Confident | 78 | Confident | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 178.5 | -75 | 175.2 | 0 | 0 | 0 | 111.1 | I1333 R1339 L1340 E1341 Y1360 F1363 L1364 | I1333-L1337 HydrophobicContact CG2-CD1 3.75Å; I1333-L1337 HydrophobicContact CG2-CG 4.09Å; I1333-L1337 WeakPolarHBondContact O-CB 3.48Å; I1333-L1337 WeakPolarHBondContact O-CG 3.41Å; I1333-L1337 PolarHBondContact O-N 3.4Å; L1337-R1339 PolarHBondContact O-N 3.23Å; L1337-L1340 PolarHBondContact O-N 3.2Å; L1337-E1341 WeakPolarHBondContact O-CB 3.48Å; L1337-E1341 PolarHBondContact O-N 3.27Å; L1337-Y1360 HydrophobicContact CB-CE2 4.19Å; L1337-Y1360 HydrophobicContact CD2-CD1 4.26Å; L1337-Y1360 HydrophobicContact CD2-CD2 3.95Å; L1337-Y1360 HydrophobicContact CD2-CE1 4.08Å; L1337-Y1360 HydrophobicContact CD2-CE2 3.74Å; L1337-Y1360 HydrophobicContact CD2-CG 4.18Å; L1337-Y1360 WeakPolarHBondContact O-CE2 3.32Å; L1337-F1363 HydrophobicContact CD2-CB 3.69Å; L1337-F1363 HydrophobicContact CG-CB 4.19Å; L1337-L1364 HydrophobicContact CD2-CD2 4.45Å |
| 1338 | N | 83.2 | Confident | 79.4 | Confident | 84 Ų | 84 | 41 Ų | 41 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.4 | -34.5 | 177 | -74 | -42.5 | 0 | 0 | 0 | 112.2 | D1334 E1341 Y1342 | D1334-N1338 WeakPolarHBondContact O-CB 3.44Å; D1334-N1338 PolarHBondContact O-N 3.11Å; D1334-N1338 PolarHBondContact O-ND2 2.92Å; N1338-E1341 WeakPolarHBondContact O-CB 3.28Å; N1338-Y1342 PolarHBondContact O-N 2.93Å; N1338-Y1342 VanDerWaalsContact O-N 3.15Å |
| 1339 | R | 85.9 | Confident | 80.6 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74 | -45.2 | 177.2 | -73.7 | 168.3 | 171.8 | 152.7 | 27.6 | 113 | S1293 L1296 N1297 E1335 I1336 L1337 E1341 Y1342 I1343 | S1293-R1339 PolarHBondContact O-NH1 3.48Å; S1293-R1339 PolarHBondContact OG-NH1 3.39Å; L1296-R1339 HydrophobicContact CB-CB 4.21Å; L1296-R1339 WeakPolarHBondContact O-CD 3.34Å; N1297-R1339 PolarHBondContact ND2-NH1 3.16Å; N1297-R1339 PolarHBondContact ND2-NH2 2.86Å; N1297-R1339 PolarHBondContact OD1-NE 3.5Å; N1297-R1339 PolarHBondContact OD1-NH2 3.49Å; E1335-R1339 WeakPolarHBondContact O-CG 3.4Å; E1335-R1339 PolarHBondContact O-N 3.27Å; E1335-R1339 IonicContact OE1-CZ 3.11Å; E1335-R1339 IonicContact OE1-NH1 2.71Å; E1335-R1339 IonicContact OE1-NH2 3.54Å; E1335-R1339 PolarHBondContact OE1-NH2 3.31Å; I1336-R1339 PolarHBondContact O-N 3.41Å; L1337-R1339 PolarHBondContact O-N 3.23Å; R1339-E1341 PolarHBondContact O-N 3.21Å; R1339-Y1342 PolarHBondContact O-N 3.27Å; R1339-I1343 WeakPolarHBondContact O-CG1 3.22Å; R1339-I1343 PolarHBondContact O-N 3.23Å |
| 1340 | L | 88.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 174.5 | -72 | 172.4 | 0 | 0 | 0 | 110.8 | L1296 L1313 I1336 L1337 I1343 L1344 A1359 Y1360 F1363 | L1296-L1340 HydrophobicContact CD1-CD2 4.11Å; L1296-L1340 HydrophobicContact CD1-CG 4.11Å; L1296-L1340 HydrophobicContact CD2-CD2 4.09Å; L1313-L1340 HydrophobicContact CD2-CD2 3.7Å; I1336-L1340 HydrophobicContact CG2-CD1 3.83Å; I1336-L1340 HydrophobicContact CG2-CG 4.34Å; I1336-L1340 WeakPolarHBondContact O-CG 3.27Å; I1336-L1340 PolarHBondContact O-N 3.01Å; L1337-L1340 PolarHBondContact O-N 3.2Å; L1340-I1343 HydrophobicContact CD2-CD1 4.38Å; L1340-I1343 PolarHBondContact O-N 2.98Å; L1340-L1344 WeakPolarHBondContact O-CB 3.43Å; L1340-L1344 PolarHBondContact O-N 2.79Å; L1340-A1359 HydrophobicContact CD1-CB 4.39Å; L1340-A1359 HydrophobicContact CD2-CB 4.17Å; L1340-Y1360 HydrophobicContact CB-CD2 3.76Å; L1340-F1363 HydrophobicContact CD1-CD2 4.03Å; L1340-F1363 HydrophobicContact CD1-CE2 4.31Å |
| 1341 | E | 86.2 | Confident | 82.7 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -48.4 | 173.1 | -161 | -175.7 | 156.2 | 0 | 0 | 111.2 | L1337 N1338 R1339 I1343 L1344 F1345 Y1360 I1412 | L1337-E1341 WeakPolarHBondContact O-CB 3.48Å; L1337-E1341 PolarHBondContact O-N 3.27Å; N1338-E1341 WeakPolarHBondContact O-CB 3.28Å; R1339-E1341 PolarHBondContact O-N 3.21Å; E1341-I1343 PolarHBondContact O-N 3.3Å; E1341-L1344 PolarHBondContact O-N 3.28Å; E1341-F1345 HydrophobicContact CG-CD2 3.78Å; E1341-F1345 HydrophobicContact CG-CE2 3.55Å; E1341-F1345 WeakPolarHBondContact O-CD2 3.42Å; E1341-F1345 PolarHBondContact O-N 3.49Å; E1341-F1345 VanDerWaalsContact O-N 3.11Å; E1341-Y1360 HydrophobicContact CB-CE2 4.14Å; E1341-I1412 VanDerWaalsContact OE1-CD1 3.24Å; E1341-I1412 WeakPolarHBondContact OE1-CD1 3.36Å |
| 1342 | Y | 85.5 | Confident | 83.4 | Confident | 104 Ų | 104 | 39.1 Ų | 39.1 | 41% | 0.408 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 176.3 | -174.8 | -91.4 | 0 | 0 | 0 | 112.3 | Y1300 N1338 R1339 N1346 | Y1300-Y1342 AromaticContact CD2-CD1 3.98Å; Y1300-Y1342 HydrophobicContact CD2-CD1 3.98Å; Y1300-Y1342 HydrophobicContact CD2-CE1 4.2Å; Y1300-Y1342 HydrophobicContact CE2-CD1 4.43Å; N1338-Y1342 PolarHBondContact O-N 2.93Å; N1338-Y1342 VanDerWaalsContact O-N 3.15Å; R1339-Y1342 PolarHBondContact O-N 3.27Å; Y1342-N1346 WeakPolarHBondContact CD2-ND2 3.42Å; Y1342-N1346 HydrophobicContact CE1-CB 4.34Å; Y1342-N1346 HydrophobicContact CE2-CB 4.44Å; Y1342-N1346 WeakPolarHBondContact CE2-ND2 3.39Å; Y1342-N1346 VanDerWaalsContact O-CB 3.27Å; Y1342-N1346 WeakPolarHBondContact O-CB 3.36Å; Y1342-N1346 PolarHBondContact O-N 3.09Å |
| 1343 | I | 86.9 | Confident | 84 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 176.5 | -65.8 | 159.7 | 0 | 0 | 0 | 110.6 | L1296 Y1300 L1309 R1339 L1340 E1341 F1345 H1347 I1352 A1356 | L1296-I1343 HydrophobicContact CD2-CD1 3.73Å; Y1300-I1343 HydrophobicContact CD1-CD1 4.42Å; Y1300-I1343 HydrophobicContact CD1-CG1 4.17Å; Y1300-I1343 HydrophobicContact CD2-CG1 3.87Å; Y1300-I1343 HydrophobicContact CE1-CD1 3.74Å; Y1300-I1343 HydrophobicContact CE1-CG1 3.93Å; Y1300-I1343 HydrophobicContact CE2-CD1 3.96Å; Y1300-I1343 HydrophobicContact CE2-CG1 3.61Å; Y1300-I1343 HydrophobicContact CG-CG1 4.09Å; Y1300-I1343 VanDerWaalsContact CZ-CD1 3.42Å; Y1300-I1343 WeakPolarHBondContact OH-CD1 3.24Å; L1309-I1343 HydrophobicContact CD1-CD1 3.73Å; L1309-I1343 HydrophobicContact CD2-CD1 4.31Å; L1309-I1343 HydrophobicContact CD2-CG1 4.45Å; L1309-I1343 HydrophobicContact CD2-CG2 3.97Å; R1339-I1343 WeakPolarHBondContact O-CG1 3.22Å; R1339-I1343 PolarHBondContact O-N 3.23Å; L1340-I1343 HydrophobicContact CD2-CD1 4.38Å; L1340-I1343 PolarHBondContact O-N 2.98Å; E1341-I1343 PolarHBondContact O-N 3.3Å; I1343-F1345 VanDerWaalsContact C-N 3.29Å; I1343-F1345 PolarHBondContact O-N 3.21Å; I1343-H1347 HydrophobicContact CG2-CB 4.04Å; I1343-H1347 WeakPolarHBondContact O-CB 3.49Å; I1343-H1347 PolarHBondContact O-N 3.41Å; I1343-I1352 HydrophobicContact CG2-CG2 3.74Å; I1343-A1356 HydrophobicContact CB-CB 4.4Å; I1343-A1356 HydrophobicContact CG2-CB 3.8Å |
| 1344 | L | 87.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.8 | -42.3 | -176.8 | 177.8 | 65.9 | 0 | 0 | 0 | 111.9 | L1340 E1341 R1353 G1423 L1427 | L1340-L1344 WeakPolarHBondContact O-CB 3.43Å; L1340-L1344 PolarHBondContact O-N 2.79Å; E1341-L1344 PolarHBondContact O-N 3.28Å; L1344-R1353 WeakPolarHBondContact CD1-O 3.35Å; L1344-R1353 WeakPolarHBondContact O-CD 3.21Å; L1344-R1353 VanDerWaalsContact O-CG 3.29Å; L1344-R1353 WeakPolarHBondContact O-CG 3.46Å; L1344-G1423 WeakPolarHBondContact CD1-O 3.41Å; L1344-G1423 WeakPolarHBondContact O-CA 3.49Å; L1344-L1427 HydrophobicContact CD2-CB 3.91Å; L1344-L1427 HydrophobicContact CD2-CD1 4.23Å; L1344-L1427 HydrophobicContact CD2-CD2 3.91Å; L1344-L1427 HydrophobicContact CD2-CG 4.24Å |
| 1345 | F | 87 | Confident | 85 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -94.4 | -26.1 | -175.8 | -63.3 | -58.5 | 0 | 0 | 0 | 115 | E1341 I1343 I1393 Y1414 A1420 N1424 | E1341-F1345 HydrophobicContact CG-CD2 3.78Å; E1341-F1345 HydrophobicContact CG-CE2 3.55Å; E1341-F1345 WeakPolarHBondContact O-CD2 3.42Å; E1341-F1345 PolarHBondContact O-N 3.49Å; E1341-F1345 VanDerWaalsContact O-N 3.11Å; I1343-F1345 VanDerWaalsContact C-N 3.29Å; I1343-F1345 PolarHBondContact O-N 3.21Å; F1345-I1393 HydrophobicContact CE1-CG2 4.49Å; F1345-I1393 HydrophobicContact CE2-CG2 3.38Å; F1345-I1393 HydrophobicContact CZ-CG2 3.24Å; F1345-Y1414 HydrophobicContact CB-CD1 3.97Å; F1345-Y1414 HydrophobicContact CB-CE1 4.02Å; F1345-Y1414 HydrophobicContact CD1-CE1 4.36Å; F1345-Y1414 HydrophobicContact CD2-CE1 4.46Å; F1345-Y1414 HydrophobicContact CG-CD1 4.46Å; F1345-Y1414 HydrophobicContact CG-CE1 4.01Å; F1345-A1420 HydrophobicContact CB-CB 4.39Å; F1345-A1420 HydrophobicContact CD1-CB 4.27Å; F1345-A1420 WeakPolarHBondContact CD1-O 3.37Å; F1345-A1420 PolarHBondContact O-N 3.07Å; F1345-N1424 HydrophobicContact CE1-CB 3.98Å |
| 1346 | N | 85.2 | Confident | 85.4 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.08 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -111.5 | -15.7 | -171.7 | -65.3 | -53.4 | 0 | 0 | 0 | 114.8 | Y1342 N1415 | Y1342-N1346 WeakPolarHBondContact CD2-ND2 3.42Å; Y1342-N1346 HydrophobicContact CE1-CB 4.34Å; Y1342-N1346 HydrophobicContact CE2-CB 4.44Å; Y1342-N1346 WeakPolarHBondContact CE2-ND2 3.39Å; Y1342-N1346 VanDerWaalsContact O-CB 3.27Å; Y1342-N1346 WeakPolarHBondContact O-CB 3.36Å; Y1342-N1346 PolarHBondContact O-N 3.09Å; N1346-N1415 PolarHBondContact OD1-N 3.44Å |
| 1347 | H | 85.8 | Confident | 85.7 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | trans | -70.5 | 137.8 | -178 | -164.2 | -75.8 | 0 | 0 | 0 | 111.5 | I1343 S1349 I1352 R1353 | I1343-H1347 HydrophobicContact CG2-CB 4.04Å; I1343-H1347 WeakPolarHBondContact O-CB 3.49Å; I1343-H1347 PolarHBondContact O-N 3.41Å; H1347-S1349 VanDerWaalsContact CE1-CB 3.48Å; H1347-S1349 WeakPolarHBondContact CE1-CB 3.3Å; H1347-S1349 WeakPolarHBondContact ND1-CB 3.48Å; H1347-S1349 PolarHBondContact ND1-N 3.2Å; H1347-I1352 HydrophobicContact CB-CG2 4.35Å; H1347-I1352 WeakPolarHBondContact CE1-CD1 3.21Å; H1347-R1353 HydrophobicContact CB-CG 4.36Å; H1347-R1353 WeakPolarHBondContact O-CD 3.26Å; H1347-R1353 PolarHBondContact O-NH1 3.15Å | ||
| 1348 | C | 80.6 | Confident | 85.9 | Confident | 102 Ų | 102 | 36.6 Ų | 36.6 | 69% | 0.689 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -73.4 | -35.3 | -176.4 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | R1353 | C1348-R1353 VanDerWaalsContact C-NH1 3.32Å; C1348-R1353 PolarHBondContact O-NH1 2.91Å |
| 1349 | S | 81.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 32.6 Ų | 32.6 | 26% | 0.259 | 16% | 0.161 | S | C | . | . | trans | -73.7 | 122.9 | 177.2 | 176.2 | 0 | 0 | 0 | 0 | 113.2 | H1347 I1352 R1353 | H1347-S1349 VanDerWaalsContact CE1-CB 3.48Å; H1347-S1349 WeakPolarHBondContact CE1-CB 3.3Å; H1347-S1349 WeakPolarHBondContact ND1-CB 3.48Å; H1347-S1349 PolarHBondContact ND1-N 3.2Å; S1349-I1352 PolarHBondContact O-N 3.47Å; S1349-R1353 PolarHBondContact O-N 3.09Å; S1349-R1353 VanDerWaalsContact O-N 3.15Å | ||
| 1350 | M | 79.5 | Confident | 86.4 | Confident | 44 Ų | 44 | 31.1 Ų | 31.1 | 22% | 0.217 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.3 | -49.8 | 174 | 170.2 | -174.5 | 177.8 | 0 | 0 | 112.9 | I1352 R1353 K1354 Y1467 E1471 | M1350-I1352 PolarHBondContact O-N 2.74Å; M1350-R1353 PolarHBondContact O-N 3.41Å; M1350-R1353 VanDerWaalsContact O-N 3.09Å; M1350-K1354 PolarHBondContact O-N 3.2Å; M1350-Y1467 HydrophobicContact CE-CE2 4.13Å; M1350-Y1467 WeakPolarHBondContact CG-OH 3.42Å; M1350-Y1467 HydrophobicContact SD-CE2 3.8Å; M1350-Y1467 PolarHBondContact SD-OH 3.17Å; M1350-E1471 WeakPolarHBondContact CE-OE1 3.5Å |
| 1351 | H | 82.1 | Confident | 86 | Confident | 134 Ų | 134 | 32 Ų | 32 | 62% | 0.62 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -62.1 | -33.8 | -176 | -62.6 | -60.8 | 0 | 0 | 0 | 111.7 | K1354 L1355 | H1351-K1354 PolarHBondContact O-N 3.16Å; H1351-L1355 WeakPolarHBondContact O-CB 3.24Å; H1351-L1355 WeakPolarHBondContact O-CG 3.32Å; H1351-L1355 PolarHBondContact O-N 3.29Å |
| 1352 | I | 85.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.4 | -41.2 | 176 | -70.2 | 174.9 | 0 | 0 | 0 | 110.9 | T1306 L1309 I1310 L1313 I1343 H1347 S1349 M1350 K1354 L1355 A1356 | T1306-I1352 HydrophobicContact CG2-CD1 3.2Å; L1309-I1352 HydrophobicContact CD2-CD1 4.46Å; L1309-I1352 HydrophobicContact CD2-CG2 3.46Å; L1309-I1352 VanDerWaalsContact CD2-CG2 3.46Å; L1309-I1352 HydrophobicContact CG-CG2 4.21Å; I1310-I1352 HydrophobicContact CD1-CD1 4.21Å; I1310-I1352 HydrophobicContact CD1-CG1 4.48Å; I1310-I1352 HydrophobicContact CG1-CD1 3.86Å; I1310-I1352 HydrophobicContact CG1-CG1 3.91Å; L1313-I1352 HydrophobicContact CD1-CG2 3.91Å; I1343-I1352 HydrophobicContact CG2-CG2 3.74Å; H1347-I1352 HydrophobicContact CB-CG2 4.35Å; H1347-I1352 WeakPolarHBondContact CE1-CD1 3.21Å; S1349-I1352 PolarHBondContact O-N 3.47Å; M1350-I1352 PolarHBondContact O-N 2.74Å; I1352-K1354 VanDerWaalsContact C-N 3.3Å; I1352-K1354 PolarHBondContact O-N 3.15Å; I1352-L1355 PolarHBondContact O-N 3Å; I1352-A1356 WeakPolarHBondContact O-CB 3.29Å; I1352-A1356 PolarHBondContact O-N 3.38Å |
| 1353 | R | 88.5 | Confident | 85.7 | Confident | 6 Ų | 6 | 26.6 Ų | 26.6 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 172 | -65.7 | -169.5 | -60.6 | -91.8 | 2.6 | 111.5 | L1344 H1347 C1348 S1349 M1350 A1356 S1357 N1419 H1422 | L1344-R1353 WeakPolarHBondContact CD1-O 3.35Å; L1344-R1353 WeakPolarHBondContact O-CD 3.21Å; L1344-R1353 VanDerWaalsContact O-CG 3.29Å; L1344-R1353 WeakPolarHBondContact O-CG 3.46Å; H1347-R1353 HydrophobicContact CB-CG 4.36Å; H1347-R1353 WeakPolarHBondContact O-CD 3.26Å; H1347-R1353 PolarHBondContact O-NH1 3.15Å; C1348-R1353 VanDerWaalsContact C-NH1 3.32Å; C1348-R1353 PolarHBondContact O-NH1 2.91Å; S1349-R1353 PolarHBondContact O-N 3.09Å; S1349-R1353 VanDerWaalsContact O-N 3.15Å; M1350-R1353 PolarHBondContact O-N 3.41Å; M1350-R1353 VanDerWaalsContact O-N 3.09Å; R1353-A1356 PolarHBondContact O-N 3.33Å; R1353-S1357 WeakPolarHBondContact O-CB 3.31Å; R1353-S1357 PolarHBondContact O-N 2.94Å; R1353-N1419 PolarHBondContact NH1-OD1 3.41Å; R1353-H1422 PolarHBondContact NE-ND1 3.41Å; R1353-H1422 PolarHBondContact NH2-ND1 3.27Å |
| 1354 | K | 87 | Confident | 85.2 | Confident | 57 Ų | 57 | 26.7 Ų | 26.7 | 25% | 0.248 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 177.3 | -165.6 | 162.3 | -172.1 | 155.6 | 0 | 112 | M1350 H1351 I1352 S1357 K1358 | M1350-K1354 PolarHBondContact O-N 3.2Å; H1351-K1354 PolarHBondContact O-N 3.16Å; I1352-K1354 VanDerWaalsContact C-N 3.3Å; I1352-K1354 PolarHBondContact O-N 3.15Å; K1354-S1357 PolarHBondContact O-N 3.04Å; K1354-S1357 PolarHBondContact O-OG 3.43Å; K1354-K1358 PolarHBondContact O-N 3.48Å |
| 1355 | L | 87.3 | Confident | 84.1 | Confident | 42 Ų | 42 | 29 Ų | 29 | 22% | 0.22 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 173.4 | -76.9 | 172.1 | 0 | 0 | 0 | 112.3 | I1310 L1313 V1317 H1351 I1352 S1357 K1358 A1359 | I1310-L1355 HydrophobicContact CG2-CD1 4.45Å; L1313-L1355 HydrophobicContact CB-CB 3.91Å; L1313-L1355 HydrophobicContact CB-CD1 4.46Å; L1313-L1355 HydrophobicContact CD1-CB 3.87Å; L1313-L1355 HydrophobicContact CG-CB 4.49Å; V1317-L1355 HydrophobicContact CG2-CD2 4.26Å; H1351-L1355 WeakPolarHBondContact O-CB 3.24Å; H1351-L1355 WeakPolarHBondContact O-CG 3.32Å; H1351-L1355 PolarHBondContact O-N 3.29Å; I1352-L1355 PolarHBondContact O-N 3Å; L1355-S1357 VanDerWaalsContact C-N 3.29Å; L1355-S1357 PolarHBondContact O-N 3.42Å; L1355-K1358 PolarHBondContact O-N 2.98Å; L1355-A1359 WeakPolarHBondContact O-CB 3.28Å; L1355-A1359 PolarHBondContact O-N 3.46Å |
| 1356 | A | 90.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.1 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1313 I1343 I1352 R1353 A1359 Y1360 | L1313-A1356 HydrophobicContact CD1-CB 4.3Å; L1313-A1356 HydrophobicContact CD2-CB 4.33Å; I1343-A1356 HydrophobicContact CB-CB 4.4Å; I1343-A1356 HydrophobicContact CG2-CB 3.8Å; I1352-A1356 WeakPolarHBondContact O-CB 3.29Å; I1352-A1356 PolarHBondContact O-N 3.38Å; R1353-A1356 PolarHBondContact O-N 3.33Å; A1356-A1359 PolarHBondContact O-N 3.17Å; A1356-Y1360 VanDerWaalsContact O-CB 3.24Å; A1356-Y1360 WeakPolarHBondContact O-CB 3.19Å; A1356-Y1360 PolarHBondContact O-N 2.93Å |
| 1357 | S | 90.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.2 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | R1353 K1354 L1355 H1361 C1426 S1430 | R1353-S1357 WeakPolarHBondContact O-CB 3.31Å; R1353-S1357 PolarHBondContact O-N 2.94Å; K1354-S1357 PolarHBondContact O-N 3.04Å; K1354-S1357 PolarHBondContact O-OG 3.43Å; L1355-S1357 VanDerWaalsContact C-N 3.29Å; L1355-S1357 PolarHBondContact O-N 3.42Å; S1357-H1361 PolarHBondContact O-N 3.09Å; S1357-C1426 PolarHBondContact OG-O 3.19Å; S1357-S1430 PolarHBondContact OG-OG 3.45Å |
| 1358 | K | 88.8 | Confident | 79.3 | Confident | 80 Ų | 80 | 34.2 Ų | 34.2 | 35% | 0.348 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 174.8 | -68.7 | -173.3 | 176.7 | -165.2 | 0 | 111.4 | V1317 K1354 L1355 H1361 V1362 S1430 | V1317-K1358 HydrophobicContact CG1-CB 4.26Å; V1317-K1358 HydrophobicContact CG1-CD 4.25Å; V1317-K1358 HydrophobicContact CG2-CB 3.64Å; K1354-K1358 PolarHBondContact O-N 3.48Å; L1355-K1358 PolarHBondContact O-N 2.98Å; K1358-H1361 PolarHBondContact O-N 3.02Å; K1358-V1362 PolarHBondContact O-N 3.35Å; K1358-S1430 WeakPolarHBondContact CG-OG 3.21Å |
| 1359 | A | 89.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1313 I1316 V1317 L1340 L1355 A1356 H1361 V1362 F1363 | L1313-A1359 HydrophobicContact CD2-CB 3.81Å; I1316-A1359 HydrophobicContact CB-CB 4.01Å; I1316-A1359 HydrophobicContact CD1-CB 4.36Å; I1316-A1359 HydrophobicContact CG2-CB 3.67Å; V1317-A1359 HydrophobicContact CG2-CB 4.29Å; L1340-A1359 HydrophobicContact CD1-CB 4.39Å; L1340-A1359 HydrophobicContact CD2-CB 4.17Å; L1355-A1359 WeakPolarHBondContact O-CB 3.28Å; L1355-A1359 PolarHBondContact O-N 3.46Å; A1356-A1359 PolarHBondContact O-N 3.17Å; A1359-H1361 VanDerWaalsContact C-N 3.27Å; A1359-H1361 PolarHBondContact O-N 3Å; A1359-V1362 WeakPolarHBondContact O-CB 3.45Å; A1359-V1362 PolarHBondContact O-N 3.12Å; A1359-F1363 WeakPolarHBondContact O-CD2 3.41Å |
| 1360 | Y | 88.9 | Confident | 75.6 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.4 | -43.6 | 176.7 | -172.2 | -82.1 | 0 | 0 | 0 | 110.8 | L1337 L1340 E1341 A1356 V1362 F1363 L1364 I1393 L1427 | L1337-Y1360 HydrophobicContact CB-CE2 4.19Å; L1337-Y1360 HydrophobicContact CD2-CD1 4.26Å; L1337-Y1360 HydrophobicContact CD2-CD2 3.95Å; L1337-Y1360 HydrophobicContact CD2-CE1 4.08Å; L1337-Y1360 HydrophobicContact CD2-CE2 3.74Å; L1337-Y1360 HydrophobicContact CD2-CG 4.18Å; L1337-Y1360 WeakPolarHBondContact O-CE2 3.32Å; L1340-Y1360 HydrophobicContact CB-CD2 3.76Å; E1341-Y1360 HydrophobicContact CB-CE2 4.14Å; A1356-Y1360 VanDerWaalsContact O-CB 3.24Å; A1356-Y1360 WeakPolarHBondContact O-CB 3.19Å; A1356-Y1360 PolarHBondContact O-N 2.93Å; Y1360-V1362 VanDerWaalsContact C-N 3.3Å; Y1360-V1362 PolarHBondContact O-N 3.05Å; Y1360-F1363 PolarHBondContact O-N 2.63Å; Y1360-L1364 HydrophobicContact CD1-CD1 3.99Å; Y1360-L1364 HydrophobicContact CD1-CD2 4.43Å; Y1360-L1364 HydrophobicContact CD1-CG 4.17Å; Y1360-L1364 HydrophobicContact CE1-CD1 3.94Å; Y1360-L1364 HydrophobicContact CE1-CD2 3.83Å; Y1360-L1364 HydrophobicContact CE1-CG 4.05Å; Y1360-I1393 HydrophobicContact CE1-CD1 4.48Å; Y1360-I1393 WeakPolarHBondContact OH-CD1 3.34Å; Y1360-L1427 HydrophobicContact CD1-CD1 3.64Å; Y1360-L1427 HydrophobicContact CE1-CD1 4.31Å; Y1360-L1427 HydrophobicContact CG-CD1 4.12Å |
| 1361 | H | 81.1 | Confident | 74 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -29.4 | -179.8 | -176 | 70.5 | 0 | 0 | 0 | 114 | S1357 K1358 A1359 F1363 L1364 W1431 N1434 | S1357-H1361 PolarHBondContact O-N 3.09Å; K1358-H1361 PolarHBondContact O-N 3.02Å; A1359-H1361 VanDerWaalsContact C-N 3.27Å; A1359-H1361 PolarHBondContact O-N 3Å; H1361-F1363 PolarHBondContact O-N 3.12Å; H1361-L1364 PolarHBondContact O-N 3.31Å; H1361-W1431 AromaticContact CE1-CD1 3.95Å; H1361-W1431 AromaticContact ND1-CD1 3.99Å; H1361-N1434 PolarHBondContact NE2-ND2 3.05Å |
| 1362 | V | 82.6 | Confident | 72.1 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -29 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | I1278 I1316 F1319 P1321 K1358 A1359 Y1360 | I1278-V1362 HydrophobicContact CB-CG1 3.95Å; I1278-V1362 HydrophobicContact CD1-CG1 3.65Å; I1278-V1362 HydrophobicContact CG1-CG1 4.39Å; I1278-V1362 HydrophobicContact CG2-CG1 4.12Å; I1316-V1362 HydrophobicContact CG2-CB 4.06Å; I1316-V1362 HydrophobicContact CG2-CG1 4.23Å; I1316-V1362 HydrophobicContact CG2-CG2 4.21Å; F1319-V1362 HydrophobicContact CB-CG1 3.83Å; F1319-V1362 WeakPolarHBondContact O-CG2 3.48Å; P1321-V1362 VanDerWaalsContact CA-O 3.32Å; P1321-V1362 WeakPolarHBondContact CA-O 3.42Å; P1321-V1362 WeakPolarHBondContact CB-O 3.31Å; K1358-V1362 PolarHBondContact O-N 3.35Å; A1359-V1362 WeakPolarHBondContact O-CB 3.45Å; A1359-V1362 PolarHBondContact O-N 3.12Å; Y1360-V1362 VanDerWaalsContact C-N 3.3Å; Y1360-V1362 PolarHBondContact O-N 3.05Å |
| 1363 | F | 82.2 | Confident | 70.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.6 | 179.9 | -70.1 | -80.2 | 0 | 0 | 0 | 113.8 | I1278 L1289 I1292 I1316 H1325 I1333 I1336 L1337 L1340 A1359 Y1360 H1361 | I1278-F1363 HydrophobicContact CD1-CD1 3.97Å; I1278-F1363 HydrophobicContact CD1-CE1 3.34Å; I1278-F1363 HydrophobicContact CD1-CE2 4.03Å; I1278-F1363 HydrophobicContact CD1-CZ 3.37Å; L1289-F1363 HydrophobicContact CD2-CE1 4Å; I1292-F1363 HydrophobicContact CD1-CZ 4.37Å; I1292-F1363 HydrophobicContact CG2-CZ 4.22Å; I1316-F1363 HydrophobicContact CD1-CE2 4.42Å; I1316-F1363 HydrophobicContact CG2-CD2 4.42Å; I1316-F1363 HydrophobicContact CG2-CE2 3.76Å; H1325-F1363 PolarHBondContact NE2-O 3.1Å; I1333-F1363 HydrophobicContact CG1-CD1 4.43Å; I1333-F1363 HydrophobicContact CG2-CB 4.35Å; I1336-F1363 HydrophobicContact CD1-CE1 4.08Å; I1336-F1363 HydrophobicContact CD1-CZ 4.18Å; I1336-F1363 HydrophobicContact CG2-CD1 4.49Å; I1336-F1363 HydrophobicContact CG2-CD2 3.94Å; I1336-F1363 HydrophobicContact CG2-CE1 4.29Å; I1336-F1363 HydrophobicContact CG2-CE2 3.71Å; I1336-F1363 HydrophobicContact CG2-CG 4.32Å; I1336-F1363 HydrophobicContact CG2-CZ 3.9Å; L1337-F1363 HydrophobicContact CD2-CB 3.69Å; L1337-F1363 HydrophobicContact CG-CB 4.19Å; L1340-F1363 HydrophobicContact CD1-CD2 4.03Å; L1340-F1363 HydrophobicContact CD1-CE2 4.31Å; A1359-F1363 WeakPolarHBondContact O-CD2 3.41Å; Y1360-F1363 PolarHBondContact O-N 2.63Å; H1361-F1363 PolarHBondContact O-N 3.12Å |
| 1364 | L | 76.2 | Confident | 67.6 | Low | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -87.8 | 130.4 | 172 | -66.1 | 178 | 0 | 0 | 0 | 109.4 | L1337 Y1360 H1361 P1366 N1389 I1390 | L1337-L1364 HydrophobicContact CD2-CD2 4.45Å; Y1360-L1364 HydrophobicContact CD1-CD1 3.99Å; Y1360-L1364 HydrophobicContact CD1-CD2 4.43Å; Y1360-L1364 HydrophobicContact CD1-CG 4.17Å; Y1360-L1364 HydrophobicContact CE1-CD1 3.94Å; Y1360-L1364 HydrophobicContact CE1-CD2 3.83Å; Y1360-L1364 HydrophobicContact CE1-CG 4.05Å; H1361-L1364 PolarHBondContact O-N 3.31Å; L1364-P1366 WeakPolarHBondContact O-CD 3.31Å; L1364-N1389 HydrophobicContact CD2-CB 4.28Å; L1364-I1390 HydrophobicContact CD1-CD1 3.8Å; L1364-I1390 HydrophobicContact CD1-CG1 3.94Å |
| 1365 | C | 64.6 | Low | 65.4 | Low | 47 Ų | 47 | 61.9 Ų | 61.9 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 126.2 | 165.5 | -78 | 0 | 0 | 0 | 0 | 108.3 | H1325 S1386 | H1325-C1365 PolarHBondContact CD2-SG 2.8Å; C1365-S1386 VanDerWaalsContact O-CB 3.28Å; C1365-S1386 WeakPolarHBondContact O-CB 3.49Å |
| 1366 | P | 58.8 | Low | 63.2 | Low | 25 Ų | 25 | 63.6 Ų | 63.6 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -48.6 | 143.6 | 165.3 | -21.7 | 30.3 | 0 | 0 | 0 | 109.5 | P1321 S1322 F1323 L1364 I1368 | P1321-P1366 HydrophobicContact CB-CG 4.36Å; S1322-P1366 WeakPolarHBondContact O-CD 3.47Å; F1323-P1366 HydrophobicContact CD1-CB 3.86Å; F1323-P1366 HydrophobicContact CD1-CG 3.82Å; F1323-P1366 HydrophobicContact CE1-CB 3.86Å; F1323-P1366 HydrophobicContact CE1-CG 4.02Å; F1323-P1366 HydrophobicContact CG-CG 4.32Å; L1364-P1366 WeakPolarHBondContact O-CD 3.31Å; P1366-I1368 PolarHBondContact O-N 3.32Å |
| 1367 | P | 51.1 | Low | 60.8 | Low | 26 Ų | 26 | 67.5 Ų | 67.5 | 17% | 0.169 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -53 | 120.1 | 176.4 | 21.6 | -31.1 | 0 | 0 | 0 | 108.6 | D1369 I1440 | P1367-D1369 PolarHBondContact O-N 3.02Å; P1367-D1369 VanDerWaalsContact O-N 3.11Å; P1367-I1440 HydrophobicContact CG-CD1 4.47Å; P1367-I1440 HydrophobicContact CG-CG2 4.01Å |
| 1368 | I | 47.6 | Very low | 58.3 | Low | 83 Ų | 83 | 75.9 Ų | 75.9 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 117.7 | 176.8 | -53.8 | 175.5 | 0 | 0 | 0 | 106.2 | P1366 A1370 Y1371 K1383 | P1366-I1368 PolarHBondContact O-N 3.32Å; I1368-A1370 HydrophobicContact CG2-CB 3.53Å; I1368-A1370 PolarHBondContact O-N 3.26Å; I1368-Y1371 PolarHBondContact O-N 2.94Å; I1368-K1383 HydrophobicContact CD1-CD 4.36Å |
| 1369 | D | 43.6 | Very low | 56 | Low | 109 Ų | 109 | 73.4 Ų | 73.4 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -52 | -15.3 | 175.5 | -68.4 | -41.5 | 0 | 0 | 0 | 113.3 | P1367 Y1371 Y1372 I1440 | P1367-D1369 PolarHBondContact O-N 3.02Å; P1367-D1369 VanDerWaalsContact O-N 3.11Å; D1369-Y1371 PolarHBondContact O-N 3.47Å; D1369-Y1372 PolarHBondContact O-N 3.36Å; D1369-I1440 WeakPolarHBondContact OD1-CD1 3.36Å |
| 1370 | A | 40.9 | Very low | 53.7 | Low | 69 Ų | 69 | 76.7 Ų | 76.7 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -66.1 | -12.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | I1368 Y1372 | I1368-A1370 HydrophobicContact CG2-CB 3.53Å; I1368-A1370 PolarHBondContact O-N 3.26Å; A1370-Y1372 PolarHBondContact O-N 2.96Å |
| 1371 | Y | 45.3 | Very low | 51.6 | Low | 81 Ų | 81 | 84.5 Ų | 84.5 | 32% | 0.318 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -72.7 | -9.6 | 178.1 | -92.3 | -76.5 | 0 | 0 | 0 | 114.3 | I1368 D1369 Q1373 I1377 | I1368-Y1371 PolarHBondContact O-N 2.94Å; D1369-Y1371 PolarHBondContact O-N 3.47Å; Y1371-Q1373 VanDerWaalsContact C-N 3.29Å; Y1371-Q1373 PolarHBondContact O-N 3.43Å; Y1371-I1377 HydrophobicContact CD1-CG1 4.31Å; Y1371-I1377 HydrophobicContact CD1-CG2 4.04Å; Y1371-I1377 HydrophobicContact CE1-CG2 3.74Å |
| 1372 | Y | 43.2 | Very low | 49.9 | Very low | 168 Ų | 168 | 91 Ų | 91 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -74.6 | -11.4 | 179.2 | -119.1 | -82.7 | 0 | 0 | 0 | 114.9 | D1369 A1370 I1439 | D1369-Y1372 PolarHBondContact O-N 3.36Å; A1370-Y1372 PolarHBondContact O-N 2.96Å; Y1372-I1439 HydrophobicContact CD2-CG2 4.43Å; Y1372-I1439 HydrophobicContact CE2-CG2 3.57Å |
| 1373 | Q | 42.5 | Very low | 48 | Very low | 174 Ų | 174 | 97.1 Ų | 97.1 | 81% | 0.813 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -93.3 | -3 | -179.1 | -79.5 | -169.2 | -11.8 | 0 | 0 | 115.5 | Y1371 | Y1371-Q1373 VanDerWaalsContact C-N 3.29Å; Y1371-Q1373 PolarHBondContact O-N 3.43Å |
| 1374 | F | 36.8 | Very low | 46.4 | Very low | 148 Ų | 148 | 102.1 Ų | 102.1 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | trans | -127.1 | 104.9 | 178.1 | -70.5 | -80.3 | 0 | 0 | 0 | 111.1 | S1376 | F1374-S1376 PolarHBondContact O-N 3.22Š| ||
| 1375 | E | 41.1 | Very low | 45.5 | Very low | 213 Ų | 213 | 103.3 Ų | 103.3 | 100% | 0.995 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -59.5 | 0.9 | 171.4 | -70.8 | -177.9 | 153.2 | 0 | 0 | 114 | ||
| 1376 | S | 40 | Very low | 45.4 | Very low | 77 Ų | 77 | 101.4 Ų | 101.4 | 54% | 0.538 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -128.4 | 102.3 | 166.5 | 64.1 | 0 | 0 | 0 | 0 | 109.6 | F1374 K1378 | F1374-S1376 PolarHBondContact O-N 3.22Å; S1376-K1378 PolarHBondContact O-N 2.83Å |
| 1377 | I | 40.7 | Very low | 45.7 | Very low | 82 Ų | 82 | 100.4 Ų | 100.4 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | trans | -69.8 | 83.8 | 175.6 | -56.8 | 172.6 | 0 | 0 | 0 | 107.7 | Y1371 C1379 | Y1371-I1377 HydrophobicContact CD1-CG1 4.31Å; Y1371-I1377 HydrophobicContact CD1-CG2 4.04Å; Y1371-I1377 HydrophobicContact CE1-CG2 3.74Å; I1377-C1379 PolarHBondContact O-N 3.24Å | ||
| 1378 | K | 38.9 | Very low | 46.3 | Very low | 176 Ų | 176 | 99.4 Ų | 99.4 | 77% | 0.765 | 50% | 0.496 | S | S | * | . | trans | -80.9 | 104.1 | 159.1 | -74.8 | -176.7 | 178.9 | 177.2 | 0 | 106.3 | S1376 S1380 | S1376-K1378 PolarHBondContact O-N 2.83Å; K1378-S1380 PolarHBondContact O-N 3.42Å | ||
| 1379 | C | 41 | Very low | 47.3 | Very low | 29 Ų | 29 | 96.6 Ų | 96.6 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | trans | -53.5 | 106.2 | 164 | -80.2 | 0 | 0 | 0 | 0 | 108 | I1377 C1388 | I1377-C1379 PolarHBondContact O-N 3.24Å; C1379-C1388 PolarHBondContact SG-SG 2.95Å | ||
| 1380 | S | 40 | Very low | 48.8 | Very low | 68 Ų | 68 | 91.6 Ų | 91.6 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | trans | -60.9 | 138.6 | 166.6 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | K1378 D1382 K1383 | K1378-S1380 PolarHBondContact O-N 3.42Å; S1380-D1382 PolarHBondContact O-N 2.96Å; S1380-K1383 PolarHBondContact O-N 3.43Å | ||
| 1381 | Q | 44.4 | Very low | 50.2 | Low | 169 Ų | 169 | 90 Ų | 90 | 79% | 0.79 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21.8 | -171.3 | -74.5 | 177.2 | -31.8 | 0 | 0 | 115 | ||
| 1382 | D | 45.7 | Very low | 51.3 | Low | 154 Ų | 154 | 89 Ų | 89 | 82% | 0.824 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 1.5 | -168.4 | -61.7 | -30.7 | 0 | 0 | 0 | 116 | S1380 | S1380-D1382 PolarHBondContact O-N 2.96Š|
| 1383 | K | 44.3 | Very low | 52.8 | Low | 135 Ų | 135 | 81.6 Ų | 81.6 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | trans | -130.7 | 95 | 177.1 | -68.5 | -171.1 | 179.9 | -174.1 | 0 | 110.9 | I1368 S1380 S1385 | I1368-K1383 HydrophobicContact CD1-CD 4.36Å; S1380-K1383 PolarHBondContact O-N 3.43Å; K1383-S1385 PolarHBondContact O-N 3.07Å; K1383-S1385 VanDerWaalsContact O-N 3.15Å | ||
| 1384 | Q | 48 | Very low | 54.3 | Low | 108 Ų | 108 | 74.2 Ų | 74.2 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | trans | -62.1 | 114 | 169.5 | -71.2 | 179.4 | -2.3 | 0 | 0 | 108.8 | N1389 | Q1384-N1389 PolarHBondContact OE1-OD1 3.17Š| ||
| 1385 | S | 56.9 | Low | 56.4 | Low | 28 Ų | 28 | 69.6 Ų | 69.6 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | trans | -71.3 | 150.4 | 172.8 | 77.3 | 0 | 0 | 0 | 0 | 109.9 | K1383 L1387 C1388 N1389 | K1383-S1385 PolarHBondContact O-N 3.07Å; K1383-S1385 VanDerWaalsContact O-N 3.15Å; S1385-L1387 PolarHBondContact O-N 2.97Å; S1385-L1387 VanDerWaalsContact O-N 3.12Å; S1385-L1387 PolarHBondContact OG-N 3.25Å; S1385-C1388 WeakPolarHBondContact O-CB 3.37Å; S1385-C1388 PolarHBondContact O-N 3.29Å; S1385-C1388 PolarHBondContact OG-N 3.25Å; S1385-C1388 VanDerWaalsContact OG-N 3.09Å; S1385-C1388 PolarHBondContact OG-SG 2.83Å; S1385-N1389 PolarHBondContact O-N 3Å | ||
| 1386 | S | 62.2 | Low | 58.4 | Low | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.1 | -32.5 | 171.5 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | C1365 N1389 I1390 | C1365-S1386 VanDerWaalsContact O-CB 3.28Å; C1365-S1386 WeakPolarHBondContact O-CB 3.49Å; S1386-N1389 PolarHBondContact O-N 3.02Å; S1386-I1390 VanDerWaalsContact O-CG1 3.31Å; S1386-I1390 WeakPolarHBondContact O-CG1 3.46Å; S1386-I1390 PolarHBondContact O-N 3Å |
| 1387 | L | 65.4 | Low | 60.4 | Low | 5 Ų | 5 | 64.5 Ų | 64.5 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | 177.8 | -172.1 | 77.4 | 0 | 0 | 0 | 111.6 | S1385 N1389 I1390 S1391 I1399 H1401 W1431 W1443 L1447 | S1385-L1387 PolarHBondContact O-N 2.97Å; S1385-L1387 VanDerWaalsContact O-N 3.12Å; S1385-L1387 PolarHBondContact OG-N 3.25Å; L1387-N1389 PolarHBondContact O-N 3.31Å; L1387-I1390 PolarHBondContact O-N 2.81Å; L1387-S1391 WeakPolarHBondContact O-CB 3.39Å; L1387-S1391 PolarHBondContact O-N 3.21Å; L1387-S1391 PolarHBondContact O-OG 3.18Å; L1387-I1399 HydrophobicContact CD1-CG2 4.38Å; L1387-H1401 HydrophobicContact CD2-CB 4.19Å; L1387-H1401 WeakPolarHBondContact CD2-CD2 3.38Å; L1387-W1431 HydrophobicContact CD1-CH2 3.55Å; L1387-W1431 HydrophobicContact CD1-CZ2 3.75Å; L1387-W1443 HydrophobicContact CB-CH2 4.11Å; L1387-W1443 HydrophobicContact CD1-CH2 3.92Å; L1387-W1443 HydrophobicContact CD1-CZ3 4.37Å; L1387-W1443 HydrophobicContact CD2-CH2 3.62Å; L1387-W1443 HydrophobicContact CD2-CZ2 3.74Å; L1387-W1443 HydrophobicContact CG-CH2 4.08Å; L1387-L1447 HydrophobicContact CD1-CD1 3.73Å; L1387-L1447 HydrophobicContact CD2-CD1 4.23Å |
| 1388 | C | 63.8 | Low | 62.4 | Low | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.027 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 175.7 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | C1379 S1385 S1391 S1392 | C1379-C1388 PolarHBondContact SG-SG 2.95Å; S1385-C1388 WeakPolarHBondContact O-CB 3.37Å; S1385-C1388 PolarHBondContact O-N 3.29Å; S1385-C1388 PolarHBondContact OG-N 3.25Å; S1385-C1388 VanDerWaalsContact OG-N 3.09Å; S1385-C1388 PolarHBondContact OG-SG 2.83Å; C1388-S1391 PolarHBondContact O-OG 3.05Å; C1388-S1392 WeakPolarHBondContact O-CB 3.47Å; C1388-S1392 PolarHBondContact O-N 2.97Å; C1388-S1392 PolarHBondContact O-OG 3.27Å |
| 1389 | N | 68.1 | Low | 64.4 | Low | 25 Ų | 25 | 53.3 Ų | 53.3 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.6 | -50.5 | 177.9 | -69.5 | -7.7 | 0 | 0 | 0 | 111.2 | L1364 Q1384 S1385 S1386 L1387 S1391 S1392 I1393 | L1364-N1389 HydrophobicContact CD2-CB 4.28Å; Q1384-N1389 PolarHBondContact OE1-OD1 3.17Å; S1385-N1389 PolarHBondContact O-N 3Å; S1386-N1389 PolarHBondContact O-N 3.02Å; L1387-N1389 PolarHBondContact O-N 3.31Å; N1389-S1391 PolarHBondContact O-N 2.98Å; N1389-S1392 PolarHBondContact O-N 3.22Å; N1389-S1392 PolarHBondContact O-OG 3.5Å; N1389-I1393 WeakPolarHBondContact O-CB 3.41Å; N1389-I1393 WeakPolarHBondContact O-CD1 3.4Å; N1389-I1393 WeakPolarHBondContact O-CG1 3.42Å; N1389-I1393 PolarHBondContact O-N 2.91Å |
| 1390 | I | 75.1 | Confident | 65.8 | Low | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | -177.6 | -63.4 | 168.3 | 0 | 0 | 0 | 112.4 | L1364 S1386 L1387 S1392 I1393 I1399 L1428 W1431 | L1364-I1390 HydrophobicContact CD1-CD1 3.8Å; L1364-I1390 HydrophobicContact CD1-CG1 3.94Å; S1386-I1390 VanDerWaalsContact O-CG1 3.31Å; S1386-I1390 WeakPolarHBondContact O-CG1 3.46Å; S1386-I1390 PolarHBondContact O-N 3Å; L1387-I1390 PolarHBondContact O-N 2.81Å; I1390-S1392 VanDerWaalsContact C-N 3.33Å; I1390-S1392 PolarHBondContact O-N 2.88Å; I1390-I1393 PolarHBondContact O-N 3.3Å; I1390-I1399 HydrophobicContact CG2-CD1 3.72Å; I1390-L1428 HydrophobicContact CG2-CD2 3.8Å; I1390-W1431 HydrophobicContact CD1-CB 3.99Å; I1390-W1431 HydrophobicContact CD1-CD2 3.77Å; I1390-W1431 HydrophobicContact CD1-CG 3.39Å; I1390-W1431 VanDerWaalsContact CD1-NE1 3.33Å |
| 1391 | S | 70.6 | Confident | 66.8 | Low | 35 Ų | 35 | 54.7 Ų | 54.7 | 25% | 0.245 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.5 | -23.9 | -178.1 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | L1387 C1388 N1389 | L1387-S1391 WeakPolarHBondContact O-CB 3.39Å; L1387-S1391 PolarHBondContact O-N 3.21Å; L1387-S1391 PolarHBondContact O-OG 3.18Å; C1388-S1391 PolarHBondContact O-OG 3.05Å; N1389-S1391 PolarHBondContact O-N 2.98Å |
| 1392 | S | 68.6 | Low | 67.1 | Low | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -95.3 | -2.2 | -179.5 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | C1388 N1389 I1390 | C1388-S1392 WeakPolarHBondContact O-CB 3.47Å; C1388-S1392 PolarHBondContact O-N 2.97Å; C1388-S1392 PolarHBondContact O-OG 3.27Å; N1389-S1392 PolarHBondContact O-N 3.22Å; N1389-S1392 PolarHBondContact O-OG 3.5Å; I1390-S1392 VanDerWaalsContact C-N 3.33Å; I1390-S1392 PolarHBondContact O-N 2.88Å |
| 1393 | I | 74.7 | Confident | 67.2 | Low | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -106.2 | 134.7 | -172 | -75.8 | 174.1 | 0 | 0 | 0 | 111.3 | F1345 Y1360 N1389 I1390 N1424 L1427 | F1345-I1393 HydrophobicContact CE1-CG2 4.49Å; F1345-I1393 HydrophobicContact CE2-CG2 3.38Å; F1345-I1393 HydrophobicContact CZ-CG2 3.24Å; Y1360-I1393 HydrophobicContact CE1-CD1 4.48Å; Y1360-I1393 WeakPolarHBondContact OH-CD1 3.34Å; N1389-I1393 WeakPolarHBondContact O-CB 3.41Å; N1389-I1393 WeakPolarHBondContact O-CD1 3.4Å; N1389-I1393 WeakPolarHBondContact O-CG1 3.42Å; N1389-I1393 PolarHBondContact O-N 2.91Å; I1390-I1393 PolarHBondContact O-N 3.3Å; I1393-N1424 PolarHBondContact O-OD1 3.21Å; I1393-L1427 HydrophobicContact CG2-CD2 3.87Å |
| 1394 | G | 75.1 | Confident | 67.3 | Low | 19 Ų | 19 | 44.3 Ų | 44.3 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 87.3 | 171.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1414 | G1394-Y1414 WeakPolarHBondContact CA-OH 3.27Š|
| 1395 | P | 80.1 | Confident | 67.4 | Low | 51 Ų | 51 | 43.2 Ų | 43.2 | 33% | 0.331 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -85.3 | -11.4 | -171.8 | 31.5 | -36.4 | 0 | 0 | 0 | 115.5 | Y1414 A1420 V1421 | P1395-Y1414 HydrophobicContact CB-CE2 4.33Å; P1395-A1420 HydrophobicContact CG-CB 4.07Å; P1395-V1421 HydrophobicContact CG-CG2 3.79Å |
| 1396 | L | 83.3 | Confident | 67 | Low | 19 Ų | 19 | 44.8 Ų | 44.8 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -101.1 | 133.4 | -173.9 | -59.6 | 175.3 | 0 | 0 | 0 | 111.3 | L1398 V1421 N1424 L1425 Y1456 W1460 | L1396-L1398 HydrophobicContact CB-CD1 4.25Å; L1396-L1398 HydrophobicContact CB-CG 4.11Å; L1396-L1398 HydrophobicContact CD1-CD1 3.86Å; L1396-L1398 PolarHBondContact O-N 3.47Å; L1396-V1421 HydrophobicContact CD1-CG1 4Å; L1396-V1421 HydrophobicContact CD2-CG1 4.28Å; L1396-V1421 HydrophobicContact CD2-CG2 4.2Å; L1396-V1421 HydrophobicContact CG-CG1 4.34Å; L1396-V1421 HydrophobicContact CG-CG2 4.44Å; L1396-N1424 WeakPolarHBondContact CB-ND2 3.33Å; L1396-N1424 PolarHBondContact N-ND2 3.29Å; L1396-N1424 VanDerWaalsContact N-ND2 3.13Å; L1396-N1424 PolarHBondContact O-ND2 3.49Å; L1396-L1425 HydrophobicContact CD1-CD2 3.65Å; L1396-L1425 HydrophobicContact CD1-CG 3.9Å; L1396-Y1456 HydrophobicContact CD2-CD1 4.49Å; L1396-Y1456 HydrophobicContact CD2-CD2 4.33Å; L1396-Y1456 HydrophobicContact CD2-CE1 4.16Å; L1396-Y1456 HydrophobicContact CD2-CE2 3.99Å; L1396-W1460 HydrophobicContact CD1-CH2 4.38Å; L1396-W1460 HydrophobicContact CD2-CH2 4.42Å; L1396-W1460 HydrophobicContact CD2-CZ2 4.37Å | ||
| 1397 | K | 81.3 | Confident | 66 | Low | 163 Ų | 163 | 51.2 Ų | 51.2 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | trans | -93.4 | 73.8 | 173.3 | -65.9 | -175.1 | 178.9 | -177.6 | 0 | 111 | ||||
| 1398 | L | 83.9 | Confident | 65 | Low | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | trans | -100.2 | -2.9 | 179.4 | -68.3 | 176.2 | 0 | 0 | 0 | 114.1 | L1396 L1425 L1428 F1448 N1449 A1453 Y1456 L1472 L1475 | L1396-L1398 HydrophobicContact CB-CD1 4.25Å; L1396-L1398 HydrophobicContact CB-CG 4.11Å; L1396-L1398 HydrophobicContact CD1-CD1 3.86Å; L1396-L1398 PolarHBondContact O-N 3.47Å; L1398-L1425 HydrophobicContact CD1-CD2 3.82Å; L1398-L1428 HydrophobicContact CB-CD1 3.9Å; L1398-L1428 HydrophobicContact CD1-CD1 3.81Å; L1398-L1428 HydrophobicContact CG-CD1 4.43Å; L1398-F1448 HydrophobicContact CB-CE2 4.16Å; L1398-F1448 HydrophobicContact CD1-CE2 4.46Å; L1398-F1448 HydrophobicContact CD2-CE2 4.46Å; L1398-N1449 PolarHBondContact O-N 2.86Å; L1398-A1453 HydrophobicContact CD2-CB 3.92Å; L1398-Y1456 HydrophobicContact CD2-CD2 4Å; L1398-Y1456 HydrophobicContact CD2-CE2 4.11Å; L1398-L1472 HydrophobicContact CD1-CD1 4.21Å; L1398-L1475 HydrophobicContact CD1-CD2 3.81Å | ||
| 1399 | I | 80.1 | Confident | 64.1 | Low | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.108 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -114.2 | 129.1 | 176.4 | -62.2 | -178.5 | 0 | 0 | 0 | 110.1 | L1387 I1390 H1401 L1428 W1431 L1447 | L1387-I1399 HydrophobicContact CD1-CG2 4.38Å; I1390-I1399 HydrophobicContact CG2-CD1 3.72Å; I1399-H1401 VanDerWaalsContact C-N 3.28Å; I1399-H1401 HydrophobicContact CG2-CB 4.11Å; I1399-H1401 PolarHBondContact O-N 3.1Å; I1399-H1401 VanDerWaalsContact O-N 3.07Å; I1399-L1428 HydrophobicContact CD1-CD2 3.55Å; I1399-L1428 HydrophobicContact CG1-CD2 3.95Å; I1399-W1431 HydrophobicContact CD1-CE3 4.5Å; I1399-W1431 HydrophobicContact CD1-CZ3 4Å; I1399-L1447 CarbonylContact C-O 3.54Å; I1399-L1447 VanDerWaalsContact CA-O 3.3Å; I1399-L1447 WeakPolarHBondContact CA-O 3.46Å; I1399-L1447 HydrophobicContact CG2-CB 4.12Å |
| 1400 | C | 70.4 | Confident | 63.3 | Low | 72 Ų | 72 | 67.5 Ų | 67.5 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | trans | -79.5 | 61.7 | 175.2 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | L1447 | C1400-L1447 WeakPolarHBondContact CB-O 3.44Å; C1400-L1447 PolarHBondContact N-O 3.4Å | ||
| 1401 | H | 60.9 | Low | 62.3 | Low | 54 Ų | 54 | 74.3 Ų | 74.3 | 25% | 0.25 | 42% | 0.42 | C | S | . | . | trans | -143.6 | 131 | 172.7 | -167.8 | -64.6 | 0 | 0 | 0 | 111.2 | L1387 I1399 | L1387-H1401 HydrophobicContact CD2-CB 4.19Å; L1387-H1401 WeakPolarHBondContact CD2-CD2 3.38Å; I1399-H1401 VanDerWaalsContact C-N 3.28Å; I1399-H1401 HydrophobicContact CG2-CB 4.11Å; I1399-H1401 PolarHBondContact O-N 3.1Å; I1399-H1401 VanDerWaalsContact O-N 3.07Å | ||
| 1402 | S | 49.9 | Very low | 61.8 | Low | 112 Ų | 112 | 74.9 Ų | 74.9 | 78% | 0.783 | 42% | 0.42 | S | S | * | . | trans | -110.7 | 105 | 172.4 | 58.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1403 | C | 48.3 | Very low | 61.6 | Low | 18 Ų | 18 | 79.1 Ų | 79.1 | 12% | 0.122 | 44% | 0.437 | C | S | . | . | trans | -86.3 | 120.3 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | L1405 | C1403-L1405 VanDerWaalsContact C-N 3.28Å; C1403-L1405 PolarHBondContact O-N 3.45Å | ||
| 1404 | S | 47.4 | Very low | 61.6 | Low | 110 Ų | 110 | 81.5 Ų | 81.5 | 77% | 0.769 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -68.3 | -24.5 | 179.4 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | H1406 | S1404-H1406 PolarHBondContact O-N 2.88Š|
| 1405 | L | 48.5 | Very low | 61.6 | Low | 85 Ų | 85 | 85 Ų | 85 | 45% | 0.445 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -73.5 | -22.1 | -177.5 | -103.4 | 97.7 | 0 | 0 | 0 | 114.6 | C1403 | C1403-L1405 VanDerWaalsContact C-N 3.28Å; C1403-L1405 PolarHBondContact O-N 3.45Å |
| 1406 | H | 49.5 | Very low | 61.6 | Low | 61 Ų | 61 | 84.3 Ų | 84.3 | 28% | 0.282 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -124.4 | 20.2 | -173.2 | -69.5 | -59.2 | 0 | 0 | 0 | 113.9 | S1404 T1408 | S1404-H1406 PolarHBondContact O-N 2.88Å; H1406-T1408 PolarHBondContact O-N 2.91Å |
| 1407 | N | 42.4 | Very low | 61.5 | Low | 143 Ų | 143 | 89.4 Ų | 89.4 | 77% | 0.765 | 48% | 0.482 | S | S | * | . | trans | -69.8 | 13.3 | 164.8 | -125 | 9.8 | 0 | 0 | 0 | 112.5 | N1409 | N1407-N1409 PolarHBondContact O-N 2.71Å; N1407-N1409 VanDerWaalsContact O-N 3.11Å | ||
| 1408 | T | 43.6 | Very low | 61.5 | Low | 97 Ų | 97 | 85.4 Ų | 85.4 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -66.2 | 106.6 | 160 | 47.8 | 0 | 0 | 0 | 0 | 106.3 | H1406 K1410 | H1406-T1408 PolarHBondContact O-N 2.91Å; T1408-K1410 PolarHBondContact O-N 3.42Å |
| 1409 | N | 45.1 | Very low | 61.5 | Low | 140 Ų | 140 | 87 Ų | 87 | 75% | 0.749 | 48% | 0.48 | S | S | * | . | trans | -51.9 | 87.1 | 162.7 | -76.4 | -25.6 | 0 | 0 | 0 | 107.6 | N1407 N1411 | N1407-N1409 PolarHBondContact O-N 2.71Å; N1407-N1409 VanDerWaalsContact O-N 3.11Å; N1409-N1411 PolarHBondContact O-N 3.38Å | ||
| 1410 | K | 51.8 | Low | 61.8 | Low | 139 Ų | 139 | 86 Ų | 86 | 60% | 0.604 | 48% | 0.475 | S | S | * | . | trans | -59.3 | 104.1 | 156.4 | -81.9 | -173.2 | 176.1 | -178.6 | 0 | 102.4 | T1408 I1412 | T1408-K1410 PolarHBondContact O-N 3.42Å; K1410-I1412 HydrophobicContact CB-CG1 4.07Å; K1410-I1412 PolarHBondContact O-N 2.94Å | ||
| 1411 | N | 53.4 | Low | 62.7 | Low | 146 Ų | 146 | 83.1 Ų | 83.1 | 78% | 0.781 | 46% | 0.455 | S | S | * | . | trans | -65.9 | 76.8 | 172.8 | -83.4 | -15.1 | 0 | 0 | 0 | 107 | N1409 L1413 | N1409-N1411 PolarHBondContact O-N 3.38Å; N1411-L1413 PolarHBondContact O-N 3.19Å; N1411-L1413 VanDerWaalsContact O-N 3.16Å | ||
| 1412 | I | 60.7 | Low | 64.1 | Low | 47 Ų | 47 | 80.5 Ų | 80.5 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | trans | -71.8 | 109.3 | 173.5 | -59.1 | 166.5 | 0 | 0 | 0 | 105.1 | E1341 K1410 Y1414 | E1341-I1412 VanDerWaalsContact OE1-CD1 3.24Å; E1341-I1412 WeakPolarHBondContact OE1-CD1 3.36Å; K1410-I1412 HydrophobicContact CB-CG1 4.07Å; K1410-I1412 PolarHBondContact O-N 2.94Å; I1412-Y1414 HydrophobicContact CB-CE1 4.04Å; I1412-Y1414 HydrophobicContact CG2-CD1 3.85Å; I1412-Y1414 HydrophobicContact CG2-CE1 3.45Å; I1412-Y1414 VanDerWaalsContact CG2-CE1 3.45Å; I1412-Y1414 PolarHBondContact O-N 3.37Å | ||
| 1413 | L | 63.2 | Low | 65.9 | Low | 148 Ų | 148 | 75.2 Ų | 75.2 | 78% | 0.775 | 41% | 0.406 | S | S | * | . | trans | -70.3 | 111.1 | 170.2 | -106.8 | 116.4 | 0 | 0 | 0 | 108.2 | N1411 | N1411-L1413 PolarHBondContact O-N 3.19Å; N1411-L1413 VanDerWaalsContact O-N 3.16Å | ||
| 1414 | Y | 75.5 | Confident | 67.9 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | trans | -88.4 | 124.9 | 171.5 | -56.3 | -61.5 | 0 | 0 | 0 | 109.5 | F1345 G1394 P1395 I1412 S1416 A1420 | F1345-Y1414 HydrophobicContact CB-CD1 3.97Å; F1345-Y1414 HydrophobicContact CB-CE1 4.02Å; F1345-Y1414 HydrophobicContact CD1-CE1 4.36Å; F1345-Y1414 HydrophobicContact CD2-CE1 4.46Å; F1345-Y1414 HydrophobicContact CG-CD1 4.46Å; F1345-Y1414 HydrophobicContact CG-CE1 4.01Å; G1394-Y1414 WeakPolarHBondContact CA-OH 3.27Å; P1395-Y1414 HydrophobicContact CB-CE2 4.33Å; I1412-Y1414 HydrophobicContact CB-CE1 4.04Å; I1412-Y1414 HydrophobicContact CG2-CD1 3.85Å; I1412-Y1414 HydrophobicContact CG2-CE1 3.45Å; I1412-Y1414 VanDerWaalsContact CG2-CE1 3.45Å; I1412-Y1414 PolarHBondContact O-N 3.37Å; Y1414-S1416 PolarHBondContact O-N 3.16Å; Y1414-A1420 HydrophobicContact CD1-CB 3.38Å; Y1414-A1420 HydrophobicContact CD2-CB 4.27Å; Y1414-A1420 HydrophobicContact CE1-CB 3.84Å; Y1414-A1420 HydrophobicContact CG-CB 3.62Å | ||
| 1415 | N | 74.1 | Confident | 70 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -66.6 | -29 | 173.9 | -69.7 | -20.5 | 0 | 0 | 0 | 112 | Q1301 N1346 | Q1301-N1415 PolarHBondContact NE2-ND2 3.13Å; N1346-N1415 PolarHBondContact OD1-N 3.44Å |
| 1416 | S | 79.8 | Confident | 71.9 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | trans | -148.6 | 126.4 | 174.9 | 165.5 | 0 | 0 | 0 | 0 | 109.8 | Y1414 T1418 N1419 A1420 | Y1414-S1416 PolarHBondContact O-N 3.16Å; S1416-T1418 VanDerWaalsContact C-N 3.27Å; S1416-T1418 PolarHBondContact O-N 3.5Å; S1416-T1418 PolarHBondContact OG-N 3.41Å; S1416-T1418 PolarHBondContact OG-OG1 3.42Å; S1416-N1419 PolarHBondContact O-N 3.09Å; S1416-N1419 PolarHBondContact OG-N 3.09Å; S1416-A1420 WeakPolarHBondContact O-CB 3.37Å; S1416-A1420 PolarHBondContact O-N 2.97Å | ||
| 1417 | I | 82.7 | Confident | 73.8 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 65% | 0.646 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.1 | -37.7 | 176.6 | -70.3 | 165.6 | 0 | 0 | 0 | 110.7 | A1420 V1421 | I1417-A1420 PolarHBondContact O-N 3.31Å; I1417-V1421 HydrophobicContact CG2-CG2 4.19Å; I1417-V1421 WeakPolarHBondContact O-CB 3.42Å; I1417-V1421 WeakPolarHBondContact O-CG2 3.19Å; I1417-V1421 PolarHBondContact O-N 3.03Å |
| 1418 | T | 81.3 | Confident | 76 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | -179.3 | 52 | 0 | 0 | 0 | 0 | 112.4 | S1416 A1420 V1421 H1422 L1468 | S1416-T1418 VanDerWaalsContact C-N 3.27Å; S1416-T1418 PolarHBondContact O-N 3.5Å; S1416-T1418 PolarHBondContact OG-N 3.41Å; S1416-T1418 PolarHBondContact OG-OG1 3.42Å; T1418-A1420 VanDerWaalsContact C-N 3.33Å; T1418-V1421 PolarHBondContact O-N 3.44Å; T1418-H1422 WeakPolarHBondContact O-CB 3.46Å; T1418-H1422 PolarHBondContact O-N 3.25Å; T1418-L1468 HydrophobicContact CG2-CD1 4.42Å |
| 1419 | N | 83.6 | Confident | 78.1 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 19% | 0.193 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 174 | -71.7 | -13.9 | 0 | 0 | 0 | 111.1 | R1353 S1416 H1422 G1423 | R1353-N1419 PolarHBondContact NH1-OD1 3.41Å; S1416-N1419 PolarHBondContact O-N 3.09Å; S1416-N1419 PolarHBondContact OG-N 3.09Å; N1419-H1422 PolarHBondContact O-N 2.89Å; N1419-G1423 PolarHBondContact O-N 2.91Å |
| 1420 | A | 86.2 | Confident | 80 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1345 P1395 Y1414 S1416 I1417 T1418 G1423 N1424 | F1345-A1420 HydrophobicContact CB-CB 4.39Å; F1345-A1420 HydrophobicContact CD1-CB 4.27Å; F1345-A1420 WeakPolarHBondContact CD1-O 3.37Å; F1345-A1420 PolarHBondContact O-N 3.07Å; P1395-A1420 HydrophobicContact CG-CB 4.07Å; Y1414-A1420 HydrophobicContact CD1-CB 3.38Å; Y1414-A1420 HydrophobicContact CD2-CB 4.27Å; Y1414-A1420 HydrophobicContact CE1-CB 3.84Å; Y1414-A1420 HydrophobicContact CG-CB 3.62Å; S1416-A1420 WeakPolarHBondContact O-CB 3.37Å; S1416-A1420 PolarHBondContact O-N 2.97Å; I1417-A1420 PolarHBondContact O-N 3.31Å; T1418-A1420 VanDerWaalsContact C-N 3.33Å; A1420-G1423 PolarHBondContact O-N 3.34Å; A1420-N1424 WeakPolarHBondContact O-CB 3.47Å; A1420-N1424 PolarHBondContact O-N 3.14Å |
| 1421 | V | 89.4 | Confident | 81.5 | Confident | 11 Ų | 11 | 38.7 Ų | 38.7 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -49.7 | 173.8 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | P1395 L1396 I1417 T1418 N1424 L1425 W1460 L1468 | P1395-V1421 HydrophobicContact CG-CG2 3.79Å; L1396-V1421 HydrophobicContact CD1-CG1 4Å; L1396-V1421 HydrophobicContact CD2-CG1 4.28Å; L1396-V1421 HydrophobicContact CD2-CG2 4.2Å; L1396-V1421 HydrophobicContact CG-CG1 4.34Å; L1396-V1421 HydrophobicContact CG-CG2 4.44Å; I1417-V1421 HydrophobicContact CG2-CG2 4.19Å; I1417-V1421 WeakPolarHBondContact O-CB 3.42Å; I1417-V1421 WeakPolarHBondContact O-CG2 3.19Å; I1417-V1421 PolarHBondContact O-N 3.03Å; T1418-V1421 PolarHBondContact O-N 3.44Å; V1421-N1424 WeakPolarHBondContact O-CB 3.36Å; V1421-N1424 PolarHBondContact O-N 2.95Å; V1421-L1425 HydrophobicContact CG1-CD1 4.36Å; V1421-L1425 WeakPolarHBondContact O-CG 3.31Å; V1421-L1425 PolarHBondContact O-N 3.21Å; V1421-W1460 HydrophobicContact CG1-CH2 3.72Å; V1421-W1460 HydrophobicContact CG1-CZ2 3.69Å; V1421-L1468 HydrophobicContact CB-CD2 4.47Å; V1421-L1468 HydrophobicContact CG1-CD1 4.33Å; V1421-L1468 HydrophobicContact CG1-CD2 3.8Å |
| 1422 | H | 89.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 177.4 | 174.2 | -81.1 | 0 | 0 | 0 | 112.7 | R1353 T1418 N1419 N1424 L1425 C1426 Y1467 | R1353-H1422 PolarHBondContact NE-ND1 3.41Å; R1353-H1422 PolarHBondContact NH2-ND1 3.27Å; T1418-H1422 WeakPolarHBondContact O-CB 3.46Å; T1418-H1422 PolarHBondContact O-N 3.25Å; N1419-H1422 PolarHBondContact O-N 2.89Å; H1422-N1424 PolarHBondContact O-N 3.2Å; H1422-L1425 PolarHBondContact O-N 3.27Å; H1422-C1426 PolarHBondContact CE1-SG 3.44Å; H1422-C1426 PolarHBondContact O-N 3.06Å; H1422-Y1467 HydrophobicContact CB-CE1 4.42Å; H1422-Y1467 AromaticContact CD2-CE1 3.68Å; H1422-Y1467 AromaticContact CD2-CZ 3.33Å; H1422-Y1467 PolarHBondContact CD2-OH 3.2Å; H1422-Y1467 AromaticContact NE2-CZ 3.76Å; H1422-Y1467 PolarHBondContact NE2-OH 3.46Å |
| 1423 | G | 88.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.4 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1344 N1419 A1420 C1426 L1427 | L1344-G1423 WeakPolarHBondContact CD1-O 3.41Å; L1344-G1423 WeakPolarHBondContact O-CA 3.49Å; N1419-G1423 PolarHBondContact O-N 2.91Å; A1420-G1423 PolarHBondContact O-N 3.34Å; G1423-C1426 PolarHBondContact O-N 3.39Å; G1423-L1427 PolarHBondContact O-N 2.67Å |
| 1424 | N | 91 | Very high | 84.3 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.8 | -45 | 177.4 | -159.2 | 10.5 | 0 | 0 | 0 | 112.4 | F1345 I1393 L1396 A1420 V1421 H1422 C1426 L1427 L1428 | F1345-N1424 HydrophobicContact CE1-CB 3.98Å; I1393-N1424 PolarHBondContact O-OD1 3.21Å; L1396-N1424 WeakPolarHBondContact CB-ND2 3.33Å; L1396-N1424 PolarHBondContact N-ND2 3.29Å; L1396-N1424 VanDerWaalsContact N-ND2 3.13Å; L1396-N1424 PolarHBondContact O-ND2 3.49Å; A1420-N1424 WeakPolarHBondContact O-CB 3.47Å; A1420-N1424 PolarHBondContact O-N 3.14Å; V1421-N1424 WeakPolarHBondContact O-CB 3.36Å; V1421-N1424 PolarHBondContact O-N 2.95Å; H1422-N1424 PolarHBondContact O-N 3.2Å; N1424-C1426 VanDerWaalsContact C-N 3.34Å; N1424-C1426 PolarHBondContact O-N 3.38Å; N1424-L1427 PolarHBondContact O-N 3.37Å; N1424-L1428 WeakPolarHBondContact O-CG 3.49Å; N1424-L1428 PolarHBondContact O-N 2.74Å |
| 1425 | L | 92 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 175.6 | -67.6 | 173.9 | 0 | 0 | 0 | 111.7 | L1396 L1398 V1421 H1422 L1427 L1428 Q1429 W1460 E1471 L1472 L1475 | L1396-L1425 HydrophobicContact CD1-CD2 3.65Å; L1396-L1425 HydrophobicContact CD1-CG 3.9Å; L1398-L1425 HydrophobicContact CD1-CD2 3.82Å; V1421-L1425 HydrophobicContact CG1-CD1 4.36Å; V1421-L1425 WeakPolarHBondContact O-CG 3.31Å; V1421-L1425 PolarHBondContact O-N 3.21Å; H1422-L1425 PolarHBondContact O-N 3.27Å; L1425-L1427 PolarHBondContact O-N 3.43Å; L1425-L1428 PolarHBondContact O-N 3.35Å; L1425-Q1429 VanDerWaalsContact O-CB 3.31Å; L1425-Q1429 WeakPolarHBondContact O-CB 3.32Å; L1425-Q1429 PolarHBondContact O-N 3.02Å; L1425-W1460 HydrophobicContact CD1-CH2 4.38Å; L1425-W1460 HydrophobicContact CD1-CZ3 4.41Å; L1425-E1471 HydrophobicContact CD1-CB 3.94Å; L1425-L1472 HydrophobicContact CD1-CB 4.45Å; L1425-L1472 HydrophobicContact CD2-CB 4.47Å; L1425-L1472 HydrophobicContact CD2-CD1 3.93Å; L1425-L1475 HydrophobicContact CD2-CD2 3.56Å |
| 1426 | C | 88.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 176.7 | -81 | 0 | 0 | 0 | 0 | 113.3 | S1357 H1422 G1423 N1424 Q1429 S1430 | S1357-C1426 PolarHBondContact OG-O 3.19Å; H1422-C1426 PolarHBondContact CE1-SG 3.44Å; H1422-C1426 PolarHBondContact O-N 3.06Å; G1423-C1426 PolarHBondContact O-N 3.39Å; N1424-C1426 VanDerWaalsContact C-N 3.34Å; N1424-C1426 PolarHBondContact O-N 3.38Å; C1426-Q1429 PolarHBondContact O-N 3.49Å; C1426-S1430 WeakPolarHBondContact O-CB 3.48Å; C1426-S1430 PolarHBondContact O-N 3.25Å; C1426-S1430 PolarHBondContact O-OG 3.2Å |
| 1427 | L | 88.9 | Confident | 83 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -48.1 | 176.3 | -179 | 65.7 | 0 | 0 | 0 | 111.4 | L1344 Y1360 I1393 G1423 N1424 L1425 Q1429 S1430 W1431 | L1344-L1427 HydrophobicContact CD2-CB 3.91Å; L1344-L1427 HydrophobicContact CD2-CD1 4.23Å; L1344-L1427 HydrophobicContact CD2-CD2 3.91Å; L1344-L1427 HydrophobicContact CD2-CG 4.24Å; Y1360-L1427 HydrophobicContact CD1-CD1 3.64Å; Y1360-L1427 HydrophobicContact CE1-CD1 4.31Å; Y1360-L1427 HydrophobicContact CG-CD1 4.12Å; I1393-L1427 HydrophobicContact CG2-CD2 3.87Å; G1423-L1427 PolarHBondContact O-N 2.67Å; N1424-L1427 PolarHBondContact O-N 3.37Å; L1425-L1427 PolarHBondContact O-N 3.43Å; L1427-Q1429 VanDerWaalsContact C-N 3.33Å; L1427-Q1429 PolarHBondContact O-N 3.4Å; L1427-S1430 PolarHBondContact O-N 3.09Å; L1427-W1431 PolarHBondContact O-N 3.02Å |
| 1428 | L | 88.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 175.3 | -68.3 | 171.6 | 0 | 0 | 0 | 110.7 | I1390 L1398 I1399 N1424 L1425 S1430 W1431 Y1432 L1475 | I1390-L1428 HydrophobicContact CG2-CD2 3.8Å; L1398-L1428 HydrophobicContact CB-CD1 3.9Å; L1398-L1428 HydrophobicContact CD1-CD1 3.81Å; L1398-L1428 HydrophobicContact CG-CD1 4.43Å; I1399-L1428 HydrophobicContact CD1-CD2 3.55Å; I1399-L1428 HydrophobicContact CG1-CD2 3.95Å; N1424-L1428 WeakPolarHBondContact O-CG 3.49Å; N1424-L1428 PolarHBondContact O-N 2.74Å; L1425-L1428 PolarHBondContact O-N 3.35Å; L1428-S1430 PolarHBondContact O-N 3.27Å; L1428-W1431 WeakPolarHBondContact O-CB 3.34Å; L1428-W1431 PolarHBondContact O-N 3.39Å; L1428-W1431 VanDerWaalsContact O-N 3.13Å; L1428-Y1432 HydrophobicContact CB-CD2 4.47Å; L1428-Y1432 WeakPolarHBondContact O-CD2 2.91Å; L1428-Y1432 PolarHBondContact O-N 3.17Å; L1428-L1475 HydrophobicContact CB-CD1 3.73Å; L1428-L1475 HydrophobicContact CB-CD2 4.02Å; L1428-L1475 HydrophobicContact CD1-CD2 4.06Å |
| 1429 | Q | 88.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 177.5 | 179 | -178.4 | 4.9 | 0 | 0 | 110.9 | L1425 C1426 L1427 W1431 Y1432 E1433 L1475 | L1425-Q1429 VanDerWaalsContact O-CB 3.31Å; L1425-Q1429 WeakPolarHBondContact O-CB 3.32Å; L1425-Q1429 PolarHBondContact O-N 3.02Å; C1426-Q1429 PolarHBondContact O-N 3.49Å; L1427-Q1429 VanDerWaalsContact C-N 3.33Å; L1427-Q1429 PolarHBondContact O-N 3.4Å; Q1429-W1431 PolarHBondContact O-N 2.99Å; Q1429-Y1432 PolarHBondContact O-N 3.34Å; Q1429-E1433 HydrophobicContact CG-CG 4.17Å; Q1429-E1433 VanDerWaalsContact CG-OE1 3.27Å; Q1429-E1433 WeakPolarHBondContact CG-OE1 3.42Å; Q1429-E1433 PolarHBondContact NE2-OE1 2.82Å; Q1429-E1433 WeakPolarHBondContact O-CB 3.25Å; Q1429-E1433 WeakPolarHBondContact O-CG 3.46Å; Q1429-E1433 PolarHBondContact O-N 3.17Å; Q1429-L1475 HydrophobicContact CB-CD1 4.16Å |
| 1430 | S | 84.4 | Confident | 80.6 | Confident | 10 Ų | 10 | 27.5 Ų | 27.5 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 179 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | S1357 K1358 C1426 L1427 L1428 N1434 | S1357-S1430 PolarHBondContact OG-OG 3.45Å; K1358-S1430 WeakPolarHBondContact CG-OG 3.21Å; C1426-S1430 WeakPolarHBondContact O-CB 3.48Å; C1426-S1430 PolarHBondContact O-N 3.25Å; C1426-S1430 PolarHBondContact O-OG 3.2Å; L1427-S1430 PolarHBondContact O-N 3.09Å; L1428-S1430 PolarHBondContact O-N 3.27Å; S1430-N1434 PolarHBondContact O-N 2.63Å |
| 1431 | W | 84.2 | Confident | 79.9 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -70.1 | -43.3 | 175.6 | -175.6 | 64.3 | 0 | 0 | 0 | 112.6 | H1361 L1387 I1390 I1399 L1427 L1428 Q1429 W1443 R1444 L1447 | H1361-W1431 AromaticContact CE1-CD1 3.95Å; H1361-W1431 AromaticContact ND1-CD1 3.99Å; L1387-W1431 HydrophobicContact CD1-CH2 3.55Å; L1387-W1431 HydrophobicContact CD1-CZ2 3.75Å; I1390-W1431 HydrophobicContact CD1-CB 3.99Å; I1390-W1431 HydrophobicContact CD1-CD2 3.77Å; I1390-W1431 HydrophobicContact CD1-CG 3.39Å; I1390-W1431 VanDerWaalsContact CD1-NE1 3.33Å; I1399-W1431 HydrophobicContact CD1-CE3 4.5Å; I1399-W1431 HydrophobicContact CD1-CZ3 4Å; L1427-W1431 PolarHBondContact O-N 3.02Å; L1428-W1431 WeakPolarHBondContact O-CB 3.34Å; L1428-W1431 PolarHBondContact O-N 3.39Å; L1428-W1431 VanDerWaalsContact O-N 3.13Å; Q1429-W1431 PolarHBondContact O-N 2.99Å; W1431-W1443 HydrophobicContact CZ2-CZ3 4.37Å; W1431-R1444 HydrophobicContact CH2-CB 4.12Å; W1431-R1444 HydrophobicContact CH2-CG 3.63Å; W1431-R1444 HydrophobicContact CZ2-CG 3.73Å; W1431-R1444 HydrophobicContact CZ3-CB 4.2Å; W1431-R1444 HydrophobicContact CZ3-CG 4.08Å; W1431-R1444 PolarHBondContact O-NH1 3.26Å; W1431-L1447 HydrophobicContact CH2-CD1 4.41Å |
| 1432 | Y | 80.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.4 | -33.7 | 178.7 | -79.6 | -72.8 | 0 | 0 | 0 | 113.6 | L1428 Q1429 N1434 Q1441 R1444 F1448 L1475 V1479 | L1428-Y1432 HydrophobicContact CB-CD2 4.47Å; L1428-Y1432 WeakPolarHBondContact O-CD2 2.91Å; L1428-Y1432 PolarHBondContact O-N 3.17Å; Q1429-Y1432 PolarHBondContact O-N 3.34Å; Y1432-N1434 VanDerWaalsContact C-N 3.31Å; Y1432-N1434 PolarHBondContact O-N 3.47Å; Y1432-Q1441 PolarHBondContact O-NE2 3.47Å; Y1432-R1444 HydrophobicContact CD1-CB 4.13Å; Y1432-R1444 HydrophobicContact CE1-CB 3.78Å; Y1432-R1444 WeakPolarHBondContact CE1-O 3.44Å; Y1432-R1444 PolarHBondContact OH-O 3.33Å; Y1432-F1448 HydrophobicContact CE2-CD2 4.24Å; Y1432-L1475 HydrophobicContact CD2-CD1 3.89Å; Y1432-L1475 HydrophobicContact CE2-CD1 4.42Å; Y1432-V1479 HydrophobicContact CD1-CB 4.44Å; Y1432-V1479 HydrophobicContact CD1-CG2 3.87Å; Y1432-V1479 HydrophobicContact CD2-CG2 3.66Å; Y1432-V1479 HydrophobicContact CE1-CG1 4.25Å; Y1432-V1479 HydrophobicContact CE1-CG2 3.88Å; Y1432-V1479 HydrophobicContact CE2-CG2 3.71Å; Y1432-V1479 HydrophobicContact CG-CG2 3.78Å |
| 1433 | E | 79.8 | Confident | 78.3 | Confident | 85 Ų | 85 | 35 Ų | 35 | 40% | 0.397 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -75.6 | -17.8 | 179.6 | -75.1 | -179.7 | 178.5 | 0 | 0 | 113.7 | Q1429 K1435 S1478 | Q1429-E1433 HydrophobicContact CG-CG 4.17Å; Q1429-E1433 VanDerWaalsContact CG-OE1 3.27Å; Q1429-E1433 WeakPolarHBondContact CG-OE1 3.42Å; Q1429-E1433 PolarHBondContact NE2-OE1 2.82Å; Q1429-E1433 WeakPolarHBondContact O-CB 3.25Å; Q1429-E1433 WeakPolarHBondContact O-CG 3.46Å; Q1429-E1433 PolarHBondContact O-N 3.17Å; E1433-K1435 PolarHBondContact O-N 3.3Å; E1433-S1478 PolarHBondContact OE1-OG 2.79Å |
| 1434 | N | 74.4 | Confident | 77.7 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -68.2 | 131.6 | -177 | -169.5 | 35 | 0 | 0 | 0 | 111.3 | H1361 S1430 Y1432 T1436 | H1361-N1434 PolarHBondContact NE2-ND2 3.05Å; S1430-N1434 PolarHBondContact O-N 2.63Å; Y1432-N1434 VanDerWaalsContact C-N 3.31Å; Y1432-N1434 PolarHBondContact O-N 3.47Å; N1434-T1436 PolarHBondContact O-N 3.27Å; N1434-T1436 VanDerWaalsContact O-N 3.1Å |
| 1435 | K | 67.6 | Low | 77.1 | Confident | 199 Ų | 199 | 36 Ų | 36 | 87% | 0.865 | 17% | 0.173 | S | C | * | . | trans | -63.5 | 115.2 | 179.5 | -69.7 | -177.4 | 179.5 | 178.3 | 0 | 109.9 | E1433 | E1433-K1435 PolarHBondContact O-N 3.3Š| ||
| 1436 | T | 67.4 | Low | 76.3 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | trans | -128.7 | 176.7 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 110 | N1434 I1440 Q1441 | N1434-T1436 PolarHBondContact O-N 3.27Å; N1434-T1436 VanDerWaalsContact O-N 3.1Å; T1436-I1440 HydrophobicContact CG2-CG2 4.34Å; T1436-Q1441 PolarHBondContact OG1-OE1 3.39Å | ||
| 1437 | C | 66.9 | Low | 75.8 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 29% | 0.291 | 20% | 0.204 | S | C | . | . | trans | -68 | 149 | 170.7 | 74.6 | 0 | 0 | 0 | 0 | 109.5 | I1439 I1440 Q1441 | C1437-I1439 PolarHBondContact O-N 3.29Å; C1437-I1439 VanDerWaalsContact O-N 3.13Å; C1437-I1440 PolarHBondContact O-N 3.45Å; C1437-I1440 WeakPolarHBondContact SG-CD1 2.99Å; C1437-I1440 WeakPolarHBondContact SG-CG1 3.34Å; C1437-Q1441 PolarHBondContact O-N 2.99Å | ||
| 1438 | E | 64.4 | Low | 75.6 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -15.9 | -170.2 | 4.3 | 164.3 | 131.6 | 0 | 0 | 112.8 | H25 Q1441 H1442 | H25-E1438 IonicContact CD2-OE2 3.12Å; H25-E1438 WeakPolarHBondContact CE1-CB 3.41Å; H25-E1438 IonicContact CE1-OE2 3.98Å; H25-E1438 PolarHBondContact CE1-OE2 3Å; H25-E1438 IonicContact CG-OE2 2.66Å; H25-E1438 IonicContact ND1-OE2 3.17Å; H25-E1438 PolarHBondContact ND1-OE2 3.28Å; H25-E1438 VanDerWaalsContact ND1-OE2 3.17Å; H25-E1438 WeakPolarHBondContact NE2-CA 3.32Å; H25-E1438 WeakPolarHBondContact NE2-CB 3.42Å; H25-E1438 WeakPolarHBondContact NE2-CG 3.41Å; H25-E1438 IonicContact NE2-OE2 2.68Å; H25-E1438 PolarHBondContact NE2-OE2 2.97Å; E1438-Q1441 PolarHBondContact O-N 3.44Å; E1438-H1442 VanDerWaalsContact O-CB 3.29Å; E1438-H1442 WeakPolarHBondContact O-CB 3.24Å; E1438-H1442 PolarHBondContact O-N 3.02Å |
| 1439 | I | 65.5 | Low | 75.4 | Confident | 70 Ų | 70 | 43 Ų | 43 | 36% | 0.359 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 169.8 | -63.4 | 172.4 | 0 | 0 | 0 | 110.4 | H25 Y1372 C1437 Q1441 H1442 W1443 | H25-I1439 PolarHBondContact NE2-N 3.47Å; Y1372-I1439 HydrophobicContact CD2-CG2 4.43Å; Y1372-I1439 HydrophobicContact CE2-CG2 3.57Å; C1437-I1439 PolarHBondContact O-N 3.29Å; C1437-I1439 VanDerWaalsContact O-N 3.13Å; I1439-Q1441 VanDerWaalsContact C-N 3.34Å; I1439-H1442 PolarHBondContact O-N 3.48Å; I1439-W1443 WeakPolarHBondContact O-CB 3.33Å; I1439-W1443 PolarHBondContact O-N 3.31Å |
| 1440 | I | 66.8 | Low | 75 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -40.2 | 175.6 | -66.2 | 168.1 | 0 | 0 | 0 | 109.7 | P1367 D1369 T1436 C1437 H1442 W1443 R1444 | P1367-I1440 HydrophobicContact CG-CD1 4.47Å; P1367-I1440 HydrophobicContact CG-CG2 4.01Å; D1369-I1440 WeakPolarHBondContact OD1-CD1 3.36Å; T1436-I1440 HydrophobicContact CG2-CG2 4.34Å; C1437-I1440 PolarHBondContact O-N 3.45Å; C1437-I1440 WeakPolarHBondContact SG-CD1 2.99Å; C1437-I1440 WeakPolarHBondContact SG-CG1 3.34Å; I1440-H1442 VanDerWaalsContact C-N 3.32Å; I1440-H1442 PolarHBondContact O-N 3.02Å; I1440-W1443 PolarHBondContact O-N 3.47Å; I1440-R1444 HydrophobicContact CG2-CG 4.39Å; I1440-R1444 VanDerWaalsContact O-CG 3.24Å; I1440-R1444 WeakPolarHBondContact O-CG 3.44Å; I1440-R1444 PolarHBondContact O-N 3.28Å |
| 1441 | Q | 73.3 | Confident | 74.8 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 175.9 | -166.4 | 66.6 | 13.2 | 0 | 0 | 111.3 | Y1432 T1436 C1437 E1438 I1439 R1444 E1445 | Y1432-Q1441 PolarHBondContact O-NE2 3.47Å; T1436-Q1441 PolarHBondContact OG1-OE1 3.39Å; C1437-Q1441 PolarHBondContact O-N 2.99Å; E1438-Q1441 PolarHBondContact O-N 3.44Å; I1439-Q1441 VanDerWaalsContact C-N 3.34Å; Q1441-R1444 WeakPolarHBondContact O-CB 3.46Å; Q1441-R1444 PolarHBondContact O-N 2.96Å; Q1441-E1445 WeakPolarHBondContact O-CG 3.21Å; Q1441-E1445 PolarHBondContact O-N 3.45Å |
| 1442 | H | 71.1 | Confident | 74.8 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 37% | 0.366 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.4 | -39 | 178.8 | -157.1 | 54.5 | 0 | 0 | 0 | 112.3 | E1438 I1439 I1440 R1444 E1445 S1446 | E1438-H1442 VanDerWaalsContact O-CB 3.29Å; E1438-H1442 WeakPolarHBondContact O-CB 3.24Å; E1438-H1442 PolarHBondContact O-N 3.02Å; I1439-H1442 PolarHBondContact O-N 3.48Å; I1440-H1442 VanDerWaalsContact C-N 3.32Å; I1440-H1442 PolarHBondContact O-N 3.02Å; H1442-R1444 VanDerWaalsContact C-N 3.33Å; H1442-R1444 PolarHBondContact O-N 3.11Å; H1442-E1445 IonicContact CE1-OE2 2.79Å; H1442-E1445 IonicContact ND1-OE2 3.51Å; H1442-E1445 PolarHBondContact ND1-OE2 3.36Å; H1442-E1445 PolarHBondContact O-N 2.99Å; H1442-S1446 WeakPolarHBondContact O-CB 3.44Å; H1442-S1446 PolarHBondContact O-N 2.83Å |
| 1443 | W | 72.1 | Confident | 75.1 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 27% | 0.269 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 170.3 | 175.7 | 78.9 | 0 | 0 | 0 | 111.4 | L1387 W1431 I1439 I1440 S1446 L1447 | L1387-W1443 HydrophobicContact CB-CH2 4.11Å; L1387-W1443 HydrophobicContact CD1-CH2 3.92Å; L1387-W1443 HydrophobicContact CD1-CZ3 4.37Å; L1387-W1443 HydrophobicContact CD2-CH2 3.62Å; L1387-W1443 HydrophobicContact CD2-CZ2 3.74Å; L1387-W1443 HydrophobicContact CG-CH2 4.08Å; W1431-W1443 HydrophobicContact CZ2-CZ3 4.37Å; I1439-W1443 WeakPolarHBondContact O-CB 3.33Å; I1439-W1443 PolarHBondContact O-N 3.31Å; I1440-W1443 PolarHBondContact O-N 3.47Å; W1443-S1446 PolarHBondContact O-N 3.38Å; W1443-S1446 PolarHBondContact O-OG 3.3Å; W1443-L1447 HydrophobicContact CD2-CD1 3.92Å; W1443-L1447 HydrophobicContact CE3-CD1 4.05Å; W1443-L1447 HydrophobicContact CH2-CD1 3.91Å; W1443-L1447 HydrophobicContact CZ2-CD1 3.74Å; W1443-L1447 HydrophobicContact CZ3-CD1 4.04Å; W1443-L1447 VanDerWaalsContact O-CG 3.32Å; W1443-L1447 WeakPolarHBondContact O-CG 3.45Å; W1443-L1447 PolarHBondContact O-N 3.32Å |
| 1444 | R | 77.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 173.8 | -69.2 | 172.7 | 175.5 | -170.7 | -10 | 111.8 | W1431 Y1432 I1440 Q1441 H1442 S1446 L1447 | W1431-R1444 HydrophobicContact CH2-CB 4.12Å; W1431-R1444 HydrophobicContact CH2-CG 3.63Å; W1431-R1444 HydrophobicContact CZ2-CG 3.73Å; W1431-R1444 HydrophobicContact CZ3-CB 4.2Å; W1431-R1444 HydrophobicContact CZ3-CG 4.08Å; W1431-R1444 PolarHBondContact O-NH1 3.26Å; Y1432-R1444 HydrophobicContact CD1-CB 4.13Å; Y1432-R1444 HydrophobicContact CE1-CB 3.78Å; Y1432-R1444 WeakPolarHBondContact CE1-O 3.44Å; Y1432-R1444 PolarHBondContact OH-O 3.33Å; I1440-R1444 HydrophobicContact CG2-CG 4.39Å; I1440-R1444 VanDerWaalsContact O-CG 3.24Å; I1440-R1444 WeakPolarHBondContact O-CG 3.44Å; I1440-R1444 PolarHBondContact O-N 3.28Å; Q1441-R1444 WeakPolarHBondContact O-CB 3.46Å; Q1441-R1444 PolarHBondContact O-N 2.96Å; H1442-R1444 VanDerWaalsContact C-N 3.33Å; H1442-R1444 PolarHBondContact O-N 3.11Å; R1444-S1446 VanDerWaalsContact C-N 3.29Å; R1444-S1446 PolarHBondContact O-N 3.16Å; R1444-L1447 WeakPolarHBondContact O-CB 3.47Å; R1444-L1447 PolarHBondContact O-N 3.36Å; R1444-L1447 VanDerWaalsContact O-N 3.1Å |
| 1445 | E | 77.1 | Confident | 75.7 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.9 | -42.7 | 176.9 | -73.3 | 170.7 | -175.6 | 0 | 0 | 111.6 | Q1441 H1442 L1447 F1448 V1479 H1483 | Q1441-E1445 WeakPolarHBondContact O-CG 3.21Å; Q1441-E1445 PolarHBondContact O-N 3.45Å; H1442-E1445 IonicContact CE1-OE2 2.79Å; H1442-E1445 IonicContact ND1-OE2 3.51Å; H1442-E1445 PolarHBondContact ND1-OE2 3.36Å; H1442-E1445 PolarHBondContact O-N 2.99Å; E1445-L1447 PolarHBondContact O-N 3.35Å; E1445-F1448 WeakPolarHBondContact O-CB 3.48Å; E1445-F1448 PolarHBondContact O-N 3.19Å; E1445-V1479 HydrophobicContact CG-CG1 4.27Å; E1445-V1479 WeakPolarHBondContact CG-O 3.38Å; E1445-H1483 IonicContact OE1-CD2 3.66Å; E1445-H1483 IonicContact OE2-CD2 3.77Å; E1445-H1483 PolarHBondContact OE2-CD2 2.89Å |
| 1446 | S | 75 | Confident | 76.7 | Confident | 81 Ų | 81 | 41.8 Ų | 41.8 | 57% | 0.566 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.8 | -22.7 | 178.8 | 79 | 0 | 0 | 0 | 0 | 113.6 | H1442 W1443 R1444 | H1442-S1446 WeakPolarHBondContact O-CB 3.44Å; H1442-S1446 PolarHBondContact O-N 2.83Å; W1443-S1446 PolarHBondContact O-N 3.38Å; W1443-S1446 PolarHBondContact O-OG 3.3Å; R1444-S1446 VanDerWaalsContact C-N 3.29Å; R1444-S1446 PolarHBondContact O-N 3.16Å |
| 1447 | L | 78.7 | Confident | 77.6 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -10.5 | 177.2 | -64.3 | 168.1 | 0 | 0 | 0 | 112.3 | L1387 I1399 C1400 W1431 W1443 R1444 E1445 N1449 | L1387-L1447 HydrophobicContact CD1-CD1 3.73Å; L1387-L1447 HydrophobicContact CD2-CD1 4.23Å; I1399-L1447 CarbonylContact C-O 3.54Å; I1399-L1447 VanDerWaalsContact CA-O 3.3Å; I1399-L1447 WeakPolarHBondContact CA-O 3.46Å; I1399-L1447 HydrophobicContact CG2-CB 4.12Å; C1400-L1447 WeakPolarHBondContact CB-O 3.44Å; C1400-L1447 PolarHBondContact N-O 3.4Å; W1431-L1447 HydrophobicContact CH2-CD1 4.41Å; W1443-L1447 HydrophobicContact CD2-CD1 3.92Å; W1443-L1447 HydrophobicContact CE3-CD1 4.05Å; W1443-L1447 HydrophobicContact CH2-CD1 3.91Å; W1443-L1447 HydrophobicContact CZ2-CD1 3.74Å; W1443-L1447 HydrophobicContact CZ3-CD1 4.04Å; W1443-L1447 VanDerWaalsContact O-CG 3.32Å; W1443-L1447 WeakPolarHBondContact O-CG 3.45Å; W1443-L1447 PolarHBondContact O-N 3.32Å; R1444-L1447 WeakPolarHBondContact O-CB 3.47Å; R1444-L1447 PolarHBondContact O-N 3.36Å; R1444-L1447 VanDerWaalsContact O-N 3.1Å; E1445-L1447 PolarHBondContact O-N 3.35Å; L1447-N1449 PolarHBondContact O-N 3.17Å |
| 1448 | F | 84.6 | Confident | 78.2 | Confident | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 122.3 | -178.2 | -171.4 | -108 | 0 | 0 | 0 | 112.1 | L1398 Y1432 E1445 I1450 A1453 L1475 M1476 V1479 | L1398-F1448 HydrophobicContact CB-CE2 4.16Å; L1398-F1448 HydrophobicContact CD1-CE2 4.46Å; L1398-F1448 HydrophobicContact CD2-CE2 4.46Å; Y1432-F1448 HydrophobicContact CE2-CD2 4.24Å; E1445-F1448 WeakPolarHBondContact O-CB 3.48Å; E1445-F1448 PolarHBondContact O-N 3.19Å; F1448-I1450 HydrophobicContact CD1-CB 4.48Å; F1448-I1450 HydrophobicContact CD1-CD1 4.43Å; F1448-I1450 HydrophobicContact CE1-CD1 4.07Å; F1448-I1450 PolarHBondContact O-N 3.17Å; F1448-A1453 HydrophobicContact CE1-CB 3.74Å; F1448-A1453 HydrophobicContact CZ-CB 3.66Å; F1448-L1475 HydrophobicContact CE2-CD2 4.09Å; F1448-L1475 HydrophobicContact CE2-CG 4.29Å; F1448-M1476 HydrophobicContact CE1-CG 4.21Å; F1448-M1476 HydrophobicContact CZ-CG 4.11Å; F1448-V1479 HydrophobicContact CB-CG1 3.97Å; F1448-V1479 HydrophobicContact CD1-CG1 4.21Å; F1448-V1479 HydrophobicContact CD1-CG2 4.5Å; F1448-V1479 HydrophobicContact CD2-CG2 3.83Å; F1448-V1479 HydrophobicContact CE2-CG2 4.05Å; F1448-V1479 HydrophobicContact CG-CG1 4.02Å; F1448-V1479 HydrophobicContact CG-CG2 4.06Å; F1448-V1479 HydrophobicContact CZ-CG2 4.48Å |
| 1449 | N | 85 | Confident | 79.2 | Confident | 42 Ų | 42 | 43.6 Ų | 43.6 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | trans | -81.4 | 82.9 | 178.6 | -170 | -20.7 | 0 | 0 | 0 | 111.3 | L1398 L1447 K1451 S1452 A1453 | L1398-N1449 PolarHBondContact O-N 2.86Å; L1447-N1449 PolarHBondContact O-N 3.17Å; N1449-K1451 VanDerWaalsContact C-N 3.27Å; N1449-K1451 PolarHBondContact O-N 3.14Å; N1449-K1451 PolarHBondContact OD1-N 3.04Å; N1449-S1452 PolarHBondContact ND2-OG 3.4Å; N1449-S1452 VanDerWaalsContact ND2-OG 3.16Å; N1449-S1452 PolarHBondContact O-N 2.96Å; N1449-S1452 PolarHBondContact OD1-N 3.01Å; N1449-A1453 PolarHBondContact O-N 3.2Å | ||
| 1450 | I | 79.2 | Confident | 80.2 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.2 | -36.4 | -179 | -167.7 | 56 | 0 | 0 | 0 | 112.9 | F1448 A1453 L1454 M1476 Y1480 | F1448-I1450 HydrophobicContact CD1-CB 4.48Å; F1448-I1450 HydrophobicContact CD1-CD1 4.43Å; F1448-I1450 HydrophobicContact CE1-CD1 4.07Å; F1448-I1450 PolarHBondContact O-N 3.17Å; I1450-A1453 WeakPolarHBondContact O-CB 3.26Å; I1450-A1453 PolarHBondContact O-N 3.12Å; I1450-L1454 HydrophobicContact CD1-CG 4.39Å; I1450-L1454 HydrophobicContact CG1-CD1 4.17Å; I1450-L1454 HydrophobicContact CG1-CG 4.4Å; I1450-L1454 WeakPolarHBondContact O-CG 3.39Å; I1450-L1454 PolarHBondContact O-N 3.31Å; I1450-M1476 HydrophobicContact CD1-CE 3.75Å; I1450-Y1480 HydrophobicContact CD1-CE2 3.89Å; I1450-Y1480 VanDerWaalsContact CD1-OH 3.28Å; I1450-Y1480 WeakPolarHBondContact CD1-OH 3.36Å |
| 1451 | K | 80.3 | Confident | 80.8 | Confident | 114 Ų | 114 | 40.3 Ų | 40.3 | 50% | 0.496 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -47.2 | 179 | -177.5 | 178 | -174.4 | 170 | 0 | 111 | N1449 N1455 Y1492 | N1449-K1451 VanDerWaalsContact C-N 3.27Å; N1449-K1451 PolarHBondContact O-N 3.14Å; N1449-K1451 PolarHBondContact OD1-N 3.04Å; K1451-N1455 WeakPolarHBondContact O-CB 3.45Å; K1451-N1455 VanDerWaalsContact O-CG 3.3Å; K1451-N1455 PolarHBondContact O-N 3Å; K1451-N1455 PolarHBondContact O-ND2 3.04Å; K1451-Y1492 HydrophobicContact CB-CE1 4.17Å; K1451-Y1492 HydrophobicContact CD-CE1 4.36Å; K1451-Y1492 HydrophobicContact CG-CE1 4.01Å |
| 1452 | S | 84.2 | Confident | 80.9 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 174.8 | -74.5 | 0 | 0 | 0 | 0 | 111.6 | N1449 N1455 Y1456 | N1449-S1452 PolarHBondContact ND2-OG 3.4Å; N1449-S1452 VanDerWaalsContact ND2-OG 3.16Å; N1449-S1452 PolarHBondContact O-N 2.96Å; N1449-S1452 PolarHBondContact OD1-N 3.01Å; S1452-N1455 PolarHBondContact O-N 3.02Å; S1452-Y1456 WeakPolarHBondContact O-CD2 3.19Å; S1452-Y1456 PolarHBondContact O-N 3.28Å |
| 1453 | A | 86.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.8 | -49.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1398 F1448 N1449 I1450 N1455 Y1456 L1457 L1472 M1476 | L1398-A1453 HydrophobicContact CD2-CB 3.92Å; F1448-A1453 HydrophobicContact CE1-CB 3.74Å; F1448-A1453 HydrophobicContact CZ-CB 3.66Å; N1449-A1453 PolarHBondContact O-N 3.2Å; I1450-A1453 WeakPolarHBondContact O-CB 3.26Å; I1450-A1453 PolarHBondContact O-N 3.12Å; A1453-N1455 VanDerWaalsContact C-N 3.34Å; A1453-N1455 PolarHBondContact O-N 3.15Å; A1453-Y1456 PolarHBondContact O-N 3.41Å; A1453-L1457 WeakPolarHBondContact O-CB 3.39Å; A1453-L1457 PolarHBondContact O-N 2.89Å; A1453-L1472 HydrophobicContact CB-CD1 4.27Å; A1453-L1472 WeakPolarHBondContact O-CD2 3.49Å; A1453-M1476 HydrophobicContact CB-SD 4.42Å |
| 1454 | L | 81.7 | Confident | 81.6 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 178 | -71.8 | 172.4 | 0 | 0 | 0 | 112 | I1450 Y1456 L1457 L1458 M1476 Y1492 L1496 | I1450-L1454 HydrophobicContact CD1-CG 4.39Å; I1450-L1454 HydrophobicContact CG1-CD1 4.17Å; I1450-L1454 HydrophobicContact CG1-CG 4.4Å; I1450-L1454 WeakPolarHBondContact O-CG 3.39Å; I1450-L1454 PolarHBondContact O-N 3.31Å; L1454-Y1456 PolarHBondContact O-N 3.06Å; L1454-L1457 PolarHBondContact O-N 3.19Å; L1454-L1458 WeakPolarHBondContact O-CB 3.47Å; L1454-L1458 VanDerWaalsContact O-CG 3.31Å; L1454-L1458 WeakPolarHBondContact O-CG 3.44Å; L1454-L1458 PolarHBondContact O-N 3.44Å; L1454-M1476 HydrophobicContact CD2-CE 4.4Å; L1454-Y1492 HydrophobicContact CD1-CD1 4.19Å; L1454-Y1492 HydrophobicContact CD1-CG 4.24Å; L1454-L1496 HydrophobicContact CD2-CD1 4.12Å |
| 1455 | N | 84.2 | Confident | 81.8 | Confident | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.3 | -75.2 | -24.7 | 0 | 0 | 0 | 112.4 | K1451 S1452 A1453 H1459 | K1451-N1455 WeakPolarHBondContact O-CB 3.45Å; K1451-N1455 VanDerWaalsContact O-CG 3.3Å; K1451-N1455 PolarHBondContact O-N 3Å; K1451-N1455 PolarHBondContact O-ND2 3.04Å; S1452-N1455 PolarHBondContact O-N 3.02Å; A1453-N1455 VanDerWaalsContact C-N 3.34Å; A1453-N1455 PolarHBondContact O-N 3.15Å; N1455-H1459 VanDerWaalsContact O-CB 3.28Å; N1455-H1459 WeakPolarHBondContact O-CB 3.48Å; N1455-H1459 PolarHBondContact O-N 2.92Å |
| 1456 | Y | 88.6 | Confident | 82 | Confident | 65 Ų | 65 | 42.1 Ų | 42.1 | 26% | 0.255 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 174.5 | -68.1 | -52.4 | 0 | 0 | 0 | 111.7 | L1396 L1398 S1452 A1453 L1454 H1459 W1460 | L1396-Y1456 HydrophobicContact CD2-CD1 4.49Å; L1396-Y1456 HydrophobicContact CD2-CD2 4.33Å; L1396-Y1456 HydrophobicContact CD2-CE1 4.16Å; L1396-Y1456 HydrophobicContact CD2-CE2 3.99Å; L1398-Y1456 HydrophobicContact CD2-CD2 4Å; L1398-Y1456 HydrophobicContact CD2-CE2 4.11Å; S1452-Y1456 WeakPolarHBondContact O-CD2 3.19Å; S1452-Y1456 PolarHBondContact O-N 3.28Å; A1453-Y1456 PolarHBondContact O-N 3.41Å; L1454-Y1456 PolarHBondContact O-N 3.06Å; Y1456-H1459 PolarHBondContact O-N 3.27Å; Y1456-W1460 HydrophobicContact CD1-CZ2 4.48Å; Y1456-W1460 HydrophobicContact CG-CZ2 4.47Å; Y1456-W1460 WeakPolarHBondContact O-CB 3.25Å; Y1456-W1460 PolarHBondContact O-N 3.31Å |
| 1457 | L | 86.2 | Confident | 82.3 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 178 | -172 | 68.1 | 0 | 0 | 0 | 111.2 | A1453 L1454 H1459 W1460 I1461 A1469 L1472 F1519 F1523 | A1453-L1457 WeakPolarHBondContact O-CB 3.39Å; A1453-L1457 PolarHBondContact O-N 2.89Å; L1454-L1457 PolarHBondContact O-N 3.19Å; L1457-H1459 PolarHBondContact O-N 2.78Å; L1457-W1460 PolarHBondContact O-N 2.84Å; L1457-I1461 HydrophobicContact CD1-CD1 4.37Å; L1457-I1461 HydrophobicContact CG-CD1 3.92Å; L1457-I1461 WeakPolarHBondContact O-CB 3.42Å; L1457-I1461 WeakPolarHBondContact O-CG1 3.39Å; L1457-I1461 PolarHBondContact O-N 3.4Å; L1457-A1469 HydrophobicContact CD1-CB 3.9Å; L1457-L1472 HydrophobicContact CB-CD2 3.92Å; L1457-L1472 HydrophobicContact CD1-CD2 4.27Å; L1457-F1519 HydrophobicContact CD1-CE2 4.08Å; L1457-F1523 HydrophobicContact CD2-CD2 4.41Å; L1457-F1523 HydrophobicContact CD2-CE2 4.12Å |
| 1458 | L | 81 | Confident | 82.8 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 22% | 0.22 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 178 | -71.9 | 173.8 | 0 | 0 | 0 | 111.7 | L1454 S1462 A1499 | L1454-L1458 WeakPolarHBondContact O-CB 3.47Å; L1454-L1458 VanDerWaalsContact O-CG 3.31Å; L1454-L1458 WeakPolarHBondContact O-CG 3.44Å; L1454-L1458 PolarHBondContact O-N 3.44Å; L1458-S1462 WeakPolarHBondContact O-CB 3.39Å; L1458-S1462 PolarHBondContact O-N 3.27Å; L1458-A1499 HydrophobicContact CD1-CB 4.33Å; L1458-A1499 HydrophobicContact CD2-CB 3.58Å |
| 1459 | H | 84.5 | Confident | 82.9 | Confident | 104 Ų | 104 | 40 Ų | 40 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -48 | 175.8 | -178 | 62.4 | 0 | 0 | 0 | 111.4 | N1455 Y1456 L1457 S1462 I1463 | N1455-H1459 VanDerWaalsContact O-CB 3.28Å; N1455-H1459 WeakPolarHBondContact O-CB 3.48Å; N1455-H1459 PolarHBondContact O-N 2.92Å; Y1456-H1459 PolarHBondContact O-N 3.27Å; L1457-H1459 PolarHBondContact O-N 2.78Å; H1459-S1462 WeakPolarHBondContact O-CB 3.26Å; H1459-S1462 PolarHBondContact O-N 3.16Å; H1459-S1462 VanDerWaalsContact O-N 3.15Å; H1459-S1462 PolarHBondContact O-OG 3.06Å; H1459-I1463 WeakPolarHBondContact O-CG1 3.39Å; H1459-I1463 PolarHBondContact O-N 3.25Å; H1459-I1463 VanDerWaalsContact O-N 3.13Å |
| 1460 | W | 86.6 | Confident | 83 | Confident | 18 Ų | 18 | 40 Ų | 40 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -36.4 | -178.9 | -67.5 | -23.3 | 0 | 0 | 0 | 113.6 | L1396 V1421 L1425 Y1456 L1457 S1462 I1463 S1464 A1465 L1468 A1469 L1472 | L1396-W1460 HydrophobicContact CD1-CH2 4.38Å; L1396-W1460 HydrophobicContact CD2-CH2 4.42Å; L1396-W1460 HydrophobicContact CD2-CZ2 4.37Å; V1421-W1460 HydrophobicContact CG1-CH2 3.72Å; V1421-W1460 HydrophobicContact CG1-CZ2 3.69Å; L1425-W1460 HydrophobicContact CD1-CH2 4.38Å; L1425-W1460 HydrophobicContact CD1-CZ3 4.41Å; Y1456-W1460 HydrophobicContact CD1-CZ2 4.48Å; Y1456-W1460 HydrophobicContact CG-CZ2 4.47Å; Y1456-W1460 WeakPolarHBondContact O-CB 3.25Å; Y1456-W1460 PolarHBondContact O-N 3.31Å; L1457-W1460 PolarHBondContact O-N 2.84Å; W1460-S1462 VanDerWaalsContact C-N 3.33Å; W1460-I1463 PolarHBondContact O-N 3.47Å; W1460-S1464 PolarHBondContact O-N 3.35Å; W1460-A1465 HydrophobicContact CB-CB 4.06Å; W1460-A1465 HydrophobicContact CG-CB 4.29Å; W1460-A1465 PolarHBondContact O-N 3.18Å; W1460-L1468 HydrophobicContact CD2-CB 3.68Å; W1460-L1468 HydrophobicContact CD2-CD1 4.37Å; W1460-L1468 HydrophobicContact CE3-CB 3.62Å; W1460-L1468 HydrophobicContact CG-CB 4.2Å; W1460-L1468 HydrophobicContact CH2-CB 4.28Å; W1460-L1468 HydrophobicContact CZ2-CB 4.35Å; W1460-L1468 HydrophobicContact CZ2-CD1 4.26Å; W1460-L1468 HydrophobicContact CZ3-CB 3.91Å; W1460-L1468 WeakPolarHBondContact CZ3-O 3.46Å; W1460-A1469 HydrophobicContact CB-CB 4.32Å; W1460-L1472 HydrophobicContact CE3-CB 4.42Å; W1460-L1472 HydrophobicContact CE3-CD2 4.02Å; W1460-L1472 HydrophobicContact CZ3-CB 3.82Å; W1460-L1472 HydrophobicContact CZ3-CD2 3.64Å; W1460-L1472 HydrophobicContact CZ3-CG 4.28Å |
| 1461 | I | 79 | Confident | 83.4 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 170 | -69 | 166.7 | 0 | 0 | 0 | 110.1 | L1457 I1463 S1464 W1466 A1469 L1503 I1507 F1519 | L1457-I1461 HydrophobicContact CD1-CD1 4.37Å; L1457-I1461 HydrophobicContact CG-CD1 3.92Å; L1457-I1461 WeakPolarHBondContact O-CB 3.42Å; L1457-I1461 WeakPolarHBondContact O-CG1 3.39Å; L1457-I1461 PolarHBondContact O-N 3.4Å; I1461-I1463 VanDerWaalsContact C-N 3.28Å; I1461-I1463 PolarHBondContact O-N 2.73Å; I1461-S1464 PolarHBondContact O-N 3.27Å; I1461-W1466 HydrophobicContact CB-CZ3 4.41Å; I1461-W1466 HydrophobicContact CG1-CZ3 4.13Å; I1461-W1466 HydrophobicContact CG2-CH2 4.13Å; I1461-W1466 HydrophobicContact CG2-CZ3 4.06Å; I1461-A1469 HydrophobicContact CG1-CB 4.48Å; I1461-L1503 HydrophobicContact CG2-CD1 3.83Å; I1461-L1503 HydrophobicContact CG2-CD2 4.37Å; I1461-I1507 HydrophobicContact CD1-CD1 4.21Å; I1461-I1507 HydrophobicContact CG2-CD1 3.96Å; I1461-I1507 HydrophobicContact CG2-CG1 3.63Å; I1461-F1519 HydrophobicContact CD1-CE2 4.28Å; I1461-F1519 HydrophobicContact CD1-CZ 3.73Å; I1461-F1519 HydrophobicContact CG1-CE2 4.43Å; I1461-F1519 HydrophobicContact CG1-CZ 3.99Å |
| 1462 | S | 76.9 | Confident | 84 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 44% | 0.441 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62.3 | -33.4 | -178 | 79 | 0 | 0 | 0 | 0 | 113.5 | L1458 H1459 W1460 | L1458-S1462 WeakPolarHBondContact O-CB 3.39Å; L1458-S1462 PolarHBondContact O-N 3.27Å; H1459-S1462 WeakPolarHBondContact O-CB 3.26Å; H1459-S1462 PolarHBondContact O-N 3.16Å; H1459-S1462 VanDerWaalsContact O-N 3.15Å; H1459-S1462 PolarHBondContact O-OG 3.06Å; W1460-S1462 VanDerWaalsContact C-N 3.33Å |
| 1463 | I | 81.5 | Confident | 84.2 | Confident | 97 Ų | 97 | 32.2 Ų | 32.2 | 50% | 0.497 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 6.6 | 176.3 | 67.4 | 172.9 | 0 | 0 | 0 | 113.4 | H1459 W1460 I1461 A1465 | H1459-I1463 WeakPolarHBondContact O-CG1 3.39Å; H1459-I1463 PolarHBondContact O-N 3.25Å; H1459-I1463 VanDerWaalsContact O-N 3.13Å; W1460-I1463 PolarHBondContact O-N 3.47Å; I1461-I1463 VanDerWaalsContact C-N 3.28Å; I1461-I1463 PolarHBondContact O-N 2.73Å; I1463-A1465 VanDerWaalsContact C-N 3.28Å; I1463-A1465 HydrophobicContact CD1-CB 4.11Å; I1463-A1465 HydrophobicContact CG1-CB 3.95Å; I1463-A1465 PolarHBondContact O-N 3.34Å |
| 1464 | S | 74.6 | Confident | 84.2 | Confident | 28 Ų | 28 | 33 Ų | 33 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 30.7 | -179.3 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | W1460 I1461 W1466 K1505 | W1460-S1464 PolarHBondContact O-N 3.35Å; I1461-S1464 PolarHBondContact O-N 3.27Å; S1464-W1466 PolarHBondContact O-N 3.05Å; S1464-K1505 PolarHBondContact OG-NZ 2.65Å |
| 1465 | A | 81.7 | Confident | 84.6 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | trans | -80.7 | 58.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | W1460 I1463 Y1467 L1468 A1469 | W1460-A1465 HydrophobicContact CB-CB 4.06Å; W1460-A1465 HydrophobicContact CG-CB 4.29Å; W1460-A1465 PolarHBondContact O-N 3.18Å; I1463-A1465 VanDerWaalsContact C-N 3.28Å; I1463-A1465 HydrophobicContact CD1-CB 4.11Å; I1463-A1465 HydrophobicContact CG1-CB 3.95Å; I1463-A1465 PolarHBondContact O-N 3.34Å; A1465-Y1467 PolarHBondContact O-N 2.9Å; A1465-Y1467 VanDerWaalsContact O-N 3.13Å; A1465-L1468 HydrophobicContact CB-CD1 4.45Å; A1465-L1468 PolarHBondContact O-N 3.37Å; A1465-A1469 PolarHBondContact O-N 2.94Å; A1465-A1469 VanDerWaalsContact O-N 3.14Å | ||
| 1466 | W | 81.4 | Confident | 84.7 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 5% | 0.053 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.3 | -33.8 | -170 | -59.2 | 115.6 | 0 | 0 | 0 | 114.1 | I1461 S1464 A1469 Y1470 E1513 F1515 H1516 F1519 | I1461-W1466 HydrophobicContact CB-CZ3 4.41Å; I1461-W1466 HydrophobicContact CG1-CZ3 4.13Å; I1461-W1466 HydrophobicContact CG2-CH2 4.13Å; I1461-W1466 HydrophobicContact CG2-CZ3 4.06Å; S1464-W1466 PolarHBondContact O-N 3.05Å; W1466-A1469 PolarHBondContact O-N 3.38Å; W1466-Y1470 VanDerWaalsContact O-CB 3.27Å; W1466-Y1470 WeakPolarHBondContact O-CB 3.4Å; W1466-Y1470 PolarHBondContact O-N 3.27Å; W1466-E1513 PolarHBondContact NE1-OE2 3.41Å; W1466-F1515 HydrophobicContact CB-CB 4.11Å; W1466-H1516 HydrophobicContact CB-CB 4.37Å; W1466-H1516 HydrophobicContact CD2-CB 4.08Å; W1466-H1516 AromaticContact CD2-CD2 3.57Å; W1466-H1516 AromaticContact CE2-CD2 3.59Å; W1466-H1516 AromaticContact CE3-CD2 3.59Å; W1466-H1516 HydrophobicContact CG-CB 3.88Å; W1466-H1516 AromaticContact CH2-CD2 3.68Å; W1466-H1516 AromaticContact CH2-NE2 3.89Å; W1466-H1516 AromaticContact CZ2-CD2 3.66Å; W1466-H1516 AromaticContact CZ3-CD2 3.64Å; W1466-F1519 AromaticContact CE3-CD1 3.63Å; W1466-F1519 HydrophobicContact CE3-CD1 3.63Å; W1466-F1519 AromaticContact CE3-CE1 3.97Å; W1466-F1519 HydrophobicContact CE3-CE1 3.97Å; W1466-F1519 HydrophobicContact CE3-CG 4.12Å; W1466-F1519 AromaticContact CZ3-CD1 3.79Å; W1466-F1519 HydrophobicContact CZ3-CD1 3.79Å; W1466-F1519 AromaticContact CZ3-CE1 3.66Å; W1466-F1519 HydrophobicContact CZ3-CE1 3.66Å; W1466-F1519 HydrophobicContact CZ3-CZ 4.42Å |
| 1467 | Y | 82.2 | Confident | 84.3 | Confident | 51 Ų | 51 | 25.9 Ų | 25.9 | 20% | 0.2 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.3 | 170.4 | -110 | 0 | 0 | 0 | 113.3 | M1350 H1422 A1465 A1469 Y1470 E1471 F1515 | M1350-Y1467 HydrophobicContact CE-CE2 4.13Å; M1350-Y1467 WeakPolarHBondContact CG-OH 3.42Å; M1350-Y1467 HydrophobicContact SD-CE2 3.8Å; M1350-Y1467 PolarHBondContact SD-OH 3.17Å; H1422-Y1467 HydrophobicContact CB-CE1 4.42Å; H1422-Y1467 AromaticContact CD2-CE1 3.68Å; H1422-Y1467 AromaticContact CD2-CZ 3.33Å; H1422-Y1467 PolarHBondContact CD2-OH 3.2Å; H1422-Y1467 AromaticContact NE2-CZ 3.76Å; H1422-Y1467 PolarHBondContact NE2-OH 3.46Å; A1465-Y1467 PolarHBondContact O-N 2.9Å; A1465-Y1467 VanDerWaalsContact O-N 3.13Å; Y1467-A1469 VanDerWaalsContact C-N 3.31Å; Y1467-Y1470 PolarHBondContact O-N 3.27Å; Y1467-E1471 HydrophobicContact CD2-CG 4.33Å; Y1467-E1471 HydrophobicContact CE2-CG 3.98Å; Y1467-E1471 WeakPolarHBondContact O-CG 3.34Å; Y1467-E1471 PolarHBondContact O-N 3.41Å; Y1467-F1515 AromaticContact CD2-CD1 3.68Å; Y1467-F1515 HydrophobicContact CD2-CD1 3.68Å; Y1467-F1515 HydrophobicContact CD2-CD2 4.39Å; Y1467-F1515 AromaticContact CD2-CE1 3.48Å; Y1467-F1515 HydrophobicContact CD2-CE1 3.48Å; Y1467-F1515 VanDerWaalsContact CD2-CE1 3.48Å; Y1467-F1515 HydrophobicContact CD2-CE2 4.21Å; Y1467-F1515 HydrophobicContact CD2-CG 4.14Å; Y1467-F1515 AromaticContact CD2-CZ 3.76Å; Y1467-F1515 HydrophobicContact CD2-CZ 3.76Å; Y1467-F1515 AromaticContact CE2-CE1 3.99Å; Y1467-F1515 HydrophobicContact CE2-CE1 3.99Å; Y1467-F1515 HydrophobicContact CE2-CZ 4.18Å; Y1467-F1515 HydrophobicContact CG-CD1 4.47Å |
| 1468 | L | 87.9 | Confident | 84 | Confident | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.6 | -36.1 | 177.5 | -66.4 | 178 | 0 | 0 | 0 | 110.8 | T1418 V1421 W1460 A1465 L1472 | T1418-L1468 HydrophobicContact CG2-CD1 4.42Å; V1421-L1468 HydrophobicContact CB-CD2 4.47Å; V1421-L1468 HydrophobicContact CG1-CD1 4.33Å; V1421-L1468 HydrophobicContact CG1-CD2 3.8Å; W1460-L1468 HydrophobicContact CD2-CB 3.68Å; W1460-L1468 HydrophobicContact CD2-CD1 4.37Å; W1460-L1468 HydrophobicContact CE3-CB 3.62Å; W1460-L1468 HydrophobicContact CG-CB 4.2Å; W1460-L1468 HydrophobicContact CH2-CB 4.28Å; W1460-L1468 HydrophobicContact CZ2-CB 4.35Å; W1460-L1468 HydrophobicContact CZ2-CD1 4.26Å; W1460-L1468 HydrophobicContact CZ3-CB 3.91Å; W1460-L1468 WeakPolarHBondContact CZ3-O 3.46Å; A1465-L1468 HydrophobicContact CB-CD1 4.45Å; A1465-L1468 PolarHBondContact O-N 3.37Å; L1468-L1472 VanDerWaalsContact O-CB 3.32Å; L1468-L1472 WeakPolarHBondContact O-CB 3.26Å; L1468-L1472 PolarHBondContact O-N 3.33Å |
| 1469 | A | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1457 W1460 I1461 A1465 W1466 Y1467 L1472 C1473 F1519 | L1457-A1469 HydrophobicContact CD1-CB 3.9Å; W1460-A1469 HydrophobicContact CB-CB 4.32Å; I1461-A1469 HydrophobicContact CG1-CB 4.48Å; A1465-A1469 PolarHBondContact O-N 2.94Å; A1465-A1469 VanDerWaalsContact O-N 3.14Å; W1466-A1469 PolarHBondContact O-N 3.38Å; Y1467-A1469 VanDerWaalsContact C-N 3.31Å; A1469-L1472 PolarHBondContact O-N 3.43Å; A1469-C1473 PolarHBondContact O-N 3.3Å; A1469-C1473 PolarHBondContact O-SG 3.34Å; A1469-F1519 HydrophobicContact CB-CD2 3.77Å; A1469-F1519 HydrophobicContact CB-CE2 3.97Å |
| 1470 | Y | 87.5 | Confident | 83.3 | Confident | 42 Ų | 42 | 20.7 Ų | 20.7 | 17% | 0.165 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.7 | -51.5 | 175.5 | 166.2 | -113.4 | 0 | 0 | 0 | 112.2 | W1466 Y1467 L1472 C1473 I1474 F1515 E1518 E1522 | W1466-Y1470 VanDerWaalsContact O-CB 3.27Å; W1466-Y1470 WeakPolarHBondContact O-CB 3.4Å; W1466-Y1470 PolarHBondContact O-N 3.27Å; Y1467-Y1470 PolarHBondContact O-N 3.27Å; Y1470-L1472 VanDerWaalsContact C-N 3.3Å; Y1470-L1472 PolarHBondContact O-N 3.02Å; Y1470-C1473 CarbonylContact O-C 3.47Å; Y1470-C1473 WeakPolarHBondContact O-CA 3.46Å; Y1470-C1473 VanDerWaalsContact O-CB 3.31Å; Y1470-C1473 WeakPolarHBondContact O-CB 3.44Å; Y1470-C1473 PolarHBondContact O-N 3.24Å; Y1470-I1474 HydrophobicContact CD1-CD1 3.98Å; Y1470-I1474 HydrophobicContact CD2-CD1 4.21Å; Y1470-I1474 HydrophobicContact CD2-CG1 4.37Å; Y1470-I1474 HydrophobicContact CE1-CD1 3.43Å; Y1470-I1474 VanDerWaalsContact CE1-CD1 3.43Å; Y1470-I1474 HydrophobicContact CE2-CD1 3.68Å; Y1470-I1474 HydrophobicContact CE2-CG1 3.98Å; Y1470-I1474 HydrophobicContact CG-CD1 4.36Å; Y1470-I1474 PolarHBondContact O-N 3.03Å; Y1470-F1515 HydrophobicContact CD1-CD1 4.46Å; Y1470-E1518 VanDerWaalsContact CD2-C 3.4Å; Y1470-E1518 HydrophobicContact CD2-CB 3.76Å; Y1470-E1518 WeakPolarHBondContact CD2-O 3.37Å; Y1470-E1518 HydrophobicContact CE1-CB 4.41Å; Y1470-E1518 WeakPolarHBondContact CE1-OE2 3.3Å; Y1470-E1518 HydrophobicContact CE2-CB 3.65Å; Y1470-E1518 HydrophobicContact CG-CB 4.17Å; Y1470-E1522 HydrophobicContact CD2-CB 4.11Å; Y1470-E1522 HydrophobicContact CD2-CG 3.77Å; Y1470-E1522 HydrophobicContact CE2-CB 4.26Å; Y1470-E1522 HydrophobicContact CE2-CG 3.42Å; Y1470-E1522 VanDerWaalsContact CE2-CG 3.42Å |
| 1471 | E | 88 | Confident | 81.8 | Confident | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -34 | 180 | -71.5 | -70.1 | 159.9 | 0 | 0 | 112.4 | M1350 L1425 Y1467 I1474 L1475 | M1350-E1471 WeakPolarHBondContact CE-OE1 3.5Å; L1425-E1471 HydrophobicContact CD1-CB 3.94Å; Y1467-E1471 HydrophobicContact CD2-CG 4.33Å; Y1467-E1471 HydrophobicContact CE2-CG 3.98Å; Y1467-E1471 WeakPolarHBondContact O-CG 3.34Å; Y1467-E1471 PolarHBondContact O-N 3.41Å; E1471-I1474 PolarHBondContact O-N 3.23Å; E1471-L1475 PolarHBondContact O-N 3.46Å |
| 1472 | L | 92.6 | Very high | 80.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 170.7 | 178.8 | 64.6 | 0 | 0 | 0 | 112.1 | L1398 L1425 A1453 L1457 W1460 L1468 A1469 Y1470 I1474 L1475 M1476 | L1398-L1472 HydrophobicContact CD1-CD1 4.21Å; L1425-L1472 HydrophobicContact CD1-CB 4.45Å; L1425-L1472 HydrophobicContact CD2-CB 4.47Å; L1425-L1472 HydrophobicContact CD2-CD1 3.93Å; A1453-L1472 HydrophobicContact CB-CD1 4.27Å; A1453-L1472 WeakPolarHBondContact O-CD2 3.49Å; L1457-L1472 HydrophobicContact CB-CD2 3.92Å; L1457-L1472 HydrophobicContact CD1-CD2 4.27Å; W1460-L1472 HydrophobicContact CE3-CB 4.42Å; W1460-L1472 HydrophobicContact CE3-CD2 4.02Å; W1460-L1472 HydrophobicContact CZ3-CB 3.82Å; W1460-L1472 HydrophobicContact CZ3-CD2 3.64Å; W1460-L1472 HydrophobicContact CZ3-CG 4.28Å; L1468-L1472 VanDerWaalsContact O-CB 3.32Å; L1468-L1472 WeakPolarHBondContact O-CB 3.26Å; L1468-L1472 PolarHBondContact O-N 3.33Å; A1469-L1472 PolarHBondContact O-N 3.43Å; Y1470-L1472 VanDerWaalsContact C-N 3.3Å; Y1470-L1472 PolarHBondContact O-N 3.02Å; L1472-I1474 VanDerWaalsContact C-N 3.34Å; L1472-L1475 HydrophobicContact CD1-CD2 4.3Å; L1472-L1475 PolarHBondContact O-N 3.46Å; L1472-M1476 HydrophobicContact CD1-CG 4.45Å; L1472-M1476 HydrophobicContact CG-CG 4.49Å; L1472-M1476 HydrophobicContact CG-SD 4.25Å; L1472-M1476 WeakPolarHBondContact O-CB 3.42Å; L1472-M1476 VanDerWaalsContact O-CG 3.25Å; L1472-M1476 WeakPolarHBondContact O-CG 3.46Å; L1472-M1476 PolarHBondContact O-N 3.23Å |
| 1473 | C | 87.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 173.5 | -70 | 0 | 0 | 0 | 0 | 111.3 | A1469 Y1470 M1476 N1477 E1522 I1526 | A1469-C1473 PolarHBondContact O-N 3.3Å; A1469-C1473 PolarHBondContact O-SG 3.34Å; Y1470-C1473 CarbonylContact O-C 3.47Å; Y1470-C1473 WeakPolarHBondContact O-CA 3.46Å; Y1470-C1473 VanDerWaalsContact O-CB 3.31Å; Y1470-C1473 WeakPolarHBondContact O-CB 3.44Å; Y1470-C1473 PolarHBondContact O-N 3.24Å; C1473-M1476 PolarHBondContact O-N 3.36Å; C1473-N1477 WeakPolarHBondContact O-CB 3.38Å; C1473-N1477 PolarHBondContact O-N 3.23Å; C1473-E1522 HydrophobicContact CB-CB 3.79Å; C1473-I1526 VanDerWaalsContact CA-CD1 3.44Å; C1473-I1526 HydrophobicContact CB-CD1 3.43Å; C1473-I1526 VanDerWaalsContact CB-CD1 3.43Å; C1473-I1526 WeakPolarHBondContact O-CD1 3.43Å |
| 1474 | I | 86.9 | Confident | 77.4 | Confident | 17 Ų | 17 | 25.1 Ų | 25.1 | 9% | 0.087 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.6 | -50.3 | 173.1 | -65.2 | 165.3 | 0 | 0 | 0 | 110.1 | Y1470 E1471 L1472 M1476 N1477 S1478 E1522 | Y1470-I1474 HydrophobicContact CD1-CD1 3.98Å; Y1470-I1474 HydrophobicContact CD2-CD1 4.21Å; Y1470-I1474 HydrophobicContact CD2-CG1 4.37Å; Y1470-I1474 HydrophobicContact CE1-CD1 3.43Å; Y1470-I1474 VanDerWaalsContact CE1-CD1 3.43Å; Y1470-I1474 HydrophobicContact CE2-CD1 3.68Å; Y1470-I1474 HydrophobicContact CE2-CG1 3.98Å; Y1470-I1474 HydrophobicContact CG-CD1 4.36Å; Y1470-I1474 PolarHBondContact O-N 3.03Å; E1471-I1474 PolarHBondContact O-N 3.23Å; L1472-I1474 VanDerWaalsContact C-N 3.34Å; I1474-M1476 VanDerWaalsContact C-N 3.33Å; I1474-M1476 PolarHBondContact O-N 3.27Å; I1474-N1477 CarbonylContact O-C 3.56Å; I1474-N1477 WeakPolarHBondContact O-CA 3.17Å; I1474-N1477 WeakPolarHBondContact O-CB 3.25Å; I1474-N1477 PolarHBondContact O-N 3.01Å; I1474-N1477 VanDerWaalsContact O-N 3.07Å; I1474-S1478 PolarHBondContact O-N 3.36Å; I1474-S1478 PolarHBondContact O-OG 3.39Å; I1474-E1522 HydrophobicContact CG1-CG 3.96Å |
| 1475 | L | 90 | Very high | 76 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.8 | -47.8 | 177 | 174.6 | 62.4 | 0 | 0 | 0 | 111.4 | L1398 L1425 L1428 Q1429 Y1432 F1448 E1471 L1472 N1477 S1478 V1479 | L1398-L1475 HydrophobicContact CD1-CD2 3.81Å; L1425-L1475 HydrophobicContact CD2-CD2 3.56Å; L1428-L1475 HydrophobicContact CB-CD1 3.73Å; L1428-L1475 HydrophobicContact CB-CD2 4.02Å; L1428-L1475 HydrophobicContact CD1-CD2 4.06Å; Q1429-L1475 HydrophobicContact CB-CD1 4.16Å; Y1432-L1475 HydrophobicContact CD2-CD1 3.89Å; Y1432-L1475 HydrophobicContact CE2-CD1 4.42Å; F1448-L1475 HydrophobicContact CE2-CD2 4.09Å; F1448-L1475 HydrophobicContact CE2-CG 4.29Å; E1471-L1475 PolarHBondContact O-N 3.46Å; L1472-L1475 HydrophobicContact CD1-CD2 4.3Å; L1472-L1475 PolarHBondContact O-N 3.46Å; L1475-N1477 VanDerWaalsContact C-N 3.28Å; L1475-N1477 PolarHBondContact O-N 3.46Å; L1475-S1478 CarbonylContact O-C 3.6Å; L1475-S1478 PolarHBondContact O-N 3.35Å; L1475-S1478 VanDerWaalsContact O-N 3.11Å; L1475-V1479 HydrophobicContact CD1-CG2 4.28Å; L1475-V1479 VanDerWaalsContact O-CG2 3.32Å; L1475-V1479 WeakPolarHBondContact O-CG2 3.32Å; L1475-V1479 PolarHBondContact O-N 3.05Å |
| 1476 | M | 87 | Confident | 74.4 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -39.9 | 176.8 | -72.3 | 176.3 | 68.8 | 0 | 0 | 111.5 | F1448 I1450 A1453 L1454 L1472 C1473 I1474 V1479 Y1480 I1526 | F1448-M1476 HydrophobicContact CE1-CG 4.21Å; F1448-M1476 HydrophobicContact CZ-CG 4.11Å; I1450-M1476 HydrophobicContact CD1-CE 3.75Å; A1453-M1476 HydrophobicContact CB-SD 4.42Å; L1454-M1476 HydrophobicContact CD2-CE 4.4Å; L1472-M1476 HydrophobicContact CD1-CG 4.45Å; L1472-M1476 HydrophobicContact CG-CG 4.49Å; L1472-M1476 HydrophobicContact CG-SD 4.25Å; L1472-M1476 WeakPolarHBondContact O-CB 3.42Å; L1472-M1476 VanDerWaalsContact O-CG 3.25Å; L1472-M1476 WeakPolarHBondContact O-CG 3.46Å; L1472-M1476 PolarHBondContact O-N 3.23Å; C1473-M1476 PolarHBondContact O-N 3.36Å; I1474-M1476 VanDerWaalsContact C-N 3.33Å; I1474-M1476 PolarHBondContact O-N 3.27Å; M1476-V1479 PolarHBondContact O-N 3.47Å; M1476-Y1480 WeakPolarHBondContact O-CB 3.45Å; M1476-Y1480 WeakPolarHBondContact O-CD2 3.45Å; M1476-Y1480 PolarHBondContact O-N 3.06Å; M1476-I1526 HydrophobicContact CB-CD1 3.9Å; M1476-I1526 HydrophobicContact CE-CG2 4.33Å; M1476-I1526 HydrophobicContact SD-CD1 4.32Å |
| 1477 | N | 81.2 | Confident | 72.8 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.2 | -34.3 | 174.8 | -89.2 | -32.9 | 0 | 0 | 0 | 113.3 | C1473 I1474 L1475 Y1480 E1522 K1529 | C1473-N1477 WeakPolarHBondContact O-CB 3.38Å; C1473-N1477 PolarHBondContact O-N 3.23Å; I1474-N1477 CarbonylContact O-C 3.56Å; I1474-N1477 WeakPolarHBondContact O-CA 3.17Å; I1474-N1477 WeakPolarHBondContact O-CB 3.25Å; I1474-N1477 PolarHBondContact O-N 3.01Å; I1474-N1477 VanDerWaalsContact O-N 3.07Å; L1475-N1477 VanDerWaalsContact C-N 3.28Å; L1475-N1477 PolarHBondContact O-N 3.46Å; N1477-Y1480 CarbonylContact O-C 3.6Å; N1477-E1522 PolarHBondContact ND2-O 2.73Å; N1477-E1522 PolarHBondContact ND2-OE2 3.35Å; N1477-K1529 PolarHBondContact O-NZ 2.85Å; N1477-K1529 PolarHBondContact OD1-NZ 3.48Å |
| 1478 | S | 79.9 | Confident | 71.4 | Confident | 10 Ų | 10 | 32.4 Ų | 32.4 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -75 | -26.9 | 174.9 | -58 | 0 | 0 | 0 | 0 | 113.1 | E1433 I1474 L1475 T1481 | E1433-S1478 PolarHBondContact OE1-OG 2.79Å; I1474-S1478 PolarHBondContact O-N 3.36Å; I1474-S1478 PolarHBondContact O-OG 3.39Å; L1475-S1478 CarbonylContact O-C 3.6Å; L1475-S1478 PolarHBondContact O-N 3.35Å; L1475-S1478 VanDerWaalsContact O-N 3.11Å; S1478-T1481 VanDerWaalsContact O-CG2 3.29Å; S1478-T1481 WeakPolarHBondContact O-CG2 3.49Å |
| 1479 | V | 79.3 | Confident | 69.8 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.3 | -50.6 | 168.7 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | Y1432 E1445 F1448 L1475 M1476 T1481 | Y1432-V1479 HydrophobicContact CD1-CB 4.44Å; Y1432-V1479 HydrophobicContact CD1-CG2 3.87Å; Y1432-V1479 HydrophobicContact CD2-CG2 3.66Å; Y1432-V1479 HydrophobicContact CE1-CG1 4.25Å; Y1432-V1479 HydrophobicContact CE1-CG2 3.88Å; Y1432-V1479 HydrophobicContact CE2-CG2 3.71Å; Y1432-V1479 HydrophobicContact CG-CG2 3.78Å; E1445-V1479 HydrophobicContact CG-CG1 4.27Å; E1445-V1479 WeakPolarHBondContact CG-O 3.38Å; F1448-V1479 HydrophobicContact CB-CG1 3.97Å; F1448-V1479 HydrophobicContact CD1-CG1 4.21Å; F1448-V1479 HydrophobicContact CD1-CG2 4.5Å; F1448-V1479 HydrophobicContact CD2-CG2 3.83Å; F1448-V1479 HydrophobicContact CE2-CG2 4.05Å; F1448-V1479 HydrophobicContact CG-CG1 4.02Å; F1448-V1479 HydrophobicContact CG-CG2 4.06Å; F1448-V1479 HydrophobicContact CZ-CG2 4.48Å; L1475-V1479 HydrophobicContact CD1-CG2 4.28Å; L1475-V1479 VanDerWaalsContact O-CG2 3.32Å; L1475-V1479 WeakPolarHBondContact O-CG2 3.32Å; L1475-V1479 PolarHBondContact O-N 3.05Å; M1476-V1479 PolarHBondContact O-N 3.47Å; V1479-T1481 PolarHBondContact O-N 3.29Å |
| 1480 | Y | 70.6 | Confident | 68.4 | Low | 29 Ų | 29 | 44.8 Ų | 44.8 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -94.3 | 68.1 | -174.7 | -59.2 | -54.2 | 0 | 0 | 0 | 111.9 | I1450 M1476 N1477 I1486 K1529 | I1450-Y1480 HydrophobicContact CD1-CE2 3.89Å; I1450-Y1480 VanDerWaalsContact CD1-OH 3.28Å; I1450-Y1480 WeakPolarHBondContact CD1-OH 3.36Å; M1476-Y1480 WeakPolarHBondContact O-CB 3.45Å; M1476-Y1480 WeakPolarHBondContact O-CD2 3.45Å; M1476-Y1480 PolarHBondContact O-N 3.06Å; N1477-Y1480 CarbonylContact O-C 3.6Å; Y1480-I1486 HydrophobicContact CD1-CB 4.48Å; Y1480-I1486 HydrophobicContact CD1-CD1 3.14Å; Y1480-I1486 HydrophobicContact CD1-CG1 3.44Å; Y1480-I1486 VanDerWaalsContact CD1-CG1 3.44Å; Y1480-I1486 HydrophobicContact CD1-CG2 4.21Å; Y1480-I1486 HydrophobicContact CD2-CD1 4.24Å; Y1480-I1486 HydrophobicContact CE1-CB 4.29Å; Y1480-I1486 HydrophobicContact CE1-CD1 3.73Å; Y1480-I1486 HydrophobicContact CE1-CG1 3.68Å; Y1480-I1486 HydrophobicContact CE1-CG2 3.58Å; Y1480-I1486 HydrophobicContact CG-CD1 3.44Å; Y1480-I1486 VanDerWaalsContact CG-CD1 3.44Å; Y1480-I1486 HydrophobicContact CG-CG1 4.26Å; Y1480-K1529 PolarHBondContact O-NZ 3.09Å |
| 1481 | T | 56 | Low | 67.1 | Low | 64 Ų | 64 | 48.1 Ų | 48.1 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -82.3 | -38.2 | -173.1 | 49.5 | 0 | 0 | 0 | 0 | 114 | S1478 V1479 | S1478-T1481 VanDerWaalsContact O-CG2 3.29Å; S1478-T1481 WeakPolarHBondContact O-CG2 3.49Å; V1479-T1481 PolarHBondContact O-N 3.29Å |
| 1482 | N | 50.3 | Low | 65.9 | Low | 126 Ų | 126 | 50 Ų | 50 | 67% | 0.674 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -153.5 | -9 | -175.4 | -78.8 | -47.7 | 0 | 0 | 0 | 117.2 | T1484 | N1482-T1484 PolarHBondContact O-N 2.68Š|
| 1483 | H | 47.5 | Very low | 64.4 | Low | 42 Ų | 42 | 51.9 Ų | 51.9 | 19% | 0.194 | 26% | 0.26 | C | S | . | . | trans | -89 | 114.2 | -176.8 | -65.5 | -60.5 | 0 | 0 | 0 | 110.6 | E1445 K1485 | E1445-H1483 IonicContact OE1-CD2 3.66Å; E1445-H1483 IonicContact OE2-CD2 3.77Å; E1445-H1483 PolarHBondContact OE2-CD2 2.89Å; H1483-K1485 PolarHBondContact O-N 2.83Å | ||
| 1484 | T | 46 | Very low | 63.3 | Low | 43 Ų | 43 | 55.8 Ų | 55.8 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -72.2 | 2 | -179.6 | 47 | 0 | 0 | 0 | 0 | 112.9 | K84 E86 N1482 I1486 | K84-T1484 WeakPolarHBondContact CB-OG1 3.48Å; K84-T1484 VanDerWaalsContact CD-CB 3.49Å; K84-T1484 WeakPolarHBondContact CD-O 3.47Å; K84-T1484 WeakPolarHBondContact CD-OG1 3.37Å; K84-T1484 WeakPolarHBondContact CE-O 3.43Å; K84-T1484 WeakPolarHBondContact CG-OG1 3.25Å; K84-T1484 PolarHBondContact NZ-O 3.05Å; E86-T1484 HydrophobicContact CB-CG2 4.09Å; E86-T1484 VanDerWaalsContact CD-OG1 3.24Å; E86-T1484 HydrophobicContact CG-CG2 3.82Å; E86-T1484 WeakPolarHBondContact CG-OG1 3.43Å; E86-T1484 WeakPolarHBondContact OE1-CB 3.29Å; E86-T1484 WeakPolarHBondContact OE1-CG2 3.4Å; E86-T1484 PolarHBondContact OE1-OG1 3.34Å; E86-T1484 WeakPolarHBondContact OE2-CG2 3.01Å; N1482-T1484 PolarHBondContact O-N 2.68Å; T1484-I1486 VanDerWaalsContact C-N 3.35Å; T1484-I1486 PolarHBondContact O-N 2.74Å |
| 1485 | K | 45.6 | Very low | 62.2 | Low | 33 Ų | 33 | 60.3 Ų | 60.3 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | trans | -100.5 | 39 | -171.6 | -120.2 | -176 | -155.2 | -115.6 | 0 | 111.5 | Y72 D82 K84 H1483 H1487 | Y72-K1485 WeakPolarHBondContact OH-CE 3.46Å; Y72-K1485 PolarHBondContact OH-NZ 2.94Å; D82-K1485 VanDerWaalsContact CA-CD 3.5Å; D82-K1485 VanDerWaalsContact CA-NZ 3.27Å; D82-K1485 HydrophobicContact CB-CD 4.12Å; D82-K1485 VanDerWaalsContact N-NZ 3.16Å; D82-K1485 WeakPolarHBondContact O-CD 3.34Å; D82-K1485 IonicContact OD1-NZ 2.74Å; D82-K1485 PolarHBondContact OD1-NZ 3.31Å; K84-K1485 HydrophobicContact CB-CB 3.94Å; K84-K1485 HydrophobicContact CB-CD 4.44Å; K84-K1485 HydrophobicContact CB-CG 4.1Å; K84-K1485 HydrophobicContact CD-CB 3.74Å; K84-K1485 HydrophobicContact CD-CG 3.54Å; K84-K1485 VanDerWaalsContact CD-N 3.28Å; K84-K1485 HydrophobicContact CG-CB 4.2Å; K84-K1485 HydrophobicContact CG-CD 4.47Å; K84-K1485 HydrophobicContact CG-CG 3.91Å; H1483-K1485 PolarHBondContact O-N 2.83Å; K1485-H1487 PolarHBondContact O-N 3.25Å | ||
| 1486 | I | 47.9 | Very low | 61 | Low | 51 Ų | 51 | 60.7 Ų | 60.7 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | trans | -73.2 | 104.7 | 171.5 | -54.1 | 158.7 | 0 | 0 | 0 | 105 | Y1480 T1484 C1488 | Y1480-I1486 HydrophobicContact CD1-CB 4.48Å; Y1480-I1486 HydrophobicContact CD1-CD1 3.14Å; Y1480-I1486 HydrophobicContact CD1-CG1 3.44Å; Y1480-I1486 VanDerWaalsContact CD1-CG1 3.44Å; Y1480-I1486 HydrophobicContact CD1-CG2 4.21Å; Y1480-I1486 HydrophobicContact CD2-CD1 4.24Å; Y1480-I1486 HydrophobicContact CE1-CB 4.29Å; Y1480-I1486 HydrophobicContact CE1-CD1 3.73Å; Y1480-I1486 HydrophobicContact CE1-CG1 3.68Å; Y1480-I1486 HydrophobicContact CE1-CG2 3.58Å; Y1480-I1486 HydrophobicContact CG-CD1 3.44Å; Y1480-I1486 VanDerWaalsContact CG-CD1 3.44Å; Y1480-I1486 HydrophobicContact CG-CG1 4.26Å; T1484-I1486 VanDerWaalsContact C-N 3.35Å; T1484-I1486 PolarHBondContact O-N 2.74Å; I1486-C1488 HydrophobicContact CG2-CB 4.14Å; I1486-C1488 PolarHBondContact O-N 2.84Å | ||
| 1487 | H | 47.3 | Very low | 59.9 | Low | 169 Ų | 169 | 63.7 Ų | 63.7 | 78% | 0.782 | 32% | 0.318 | S | S | * | . | trans | -65.3 | 65.8 | 161 | -88.6 | -76.1 | 0 | 0 | 0 | 107.9 | K1485 E1489 | K1485-H1487 PolarHBondContact O-N 3.25Å; H1487-E1489 PolarHBondContact O-N 3.45Å | ||
| 1488 | C | 53 | Low | 59.1 | Low | 20 Ų | 20 | 66.8 Ų | 66.8 | 14% | 0.135 | 34% | 0.338 | C | S | . | . | trans | -75.5 | 107.2 | 158.3 | -141.1 | 0 | 0 | 0 | 0 | 103.5 | I1486 E1490 | I1486-C1488 HydrophobicContact CG2-CB 4.14Å; I1486-C1488 PolarHBondContact O-N 2.84Å; C1488-E1490 PolarHBondContact O-N 2.9Å | ||
| 1489 | E | 54.6 | Low | 58.2 | Low | 111 Ų | 111 | 67.2 Ų | 67.2 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -47 | 133.3 | 175.9 | -63.2 | 178.5 | 151.5 | 0 | 0 | 108.5 | H1487 N1491 Y1492 | H1487-E1489 PolarHBondContact O-N 3.45Å; E1489-N1491 HydrophobicContact CB-CB 4.5Å; E1489-N1491 PolarHBondContact O-N 3.2Å; E1489-Y1492 HydrophobicContact CB-CD2 3.66Å; E1489-Y1492 HydrophobicContact CB-CE2 3.78Å; E1489-Y1492 HydrophobicContact CG-CD2 4.31Å; E1489-Y1492 HydrophobicContact CG-CE2 3.98Å; E1489-Y1492 PolarHBondContact O-N 3.34Å; E1489-Y1492 WeakPolarHBondContact OE2-CE2 2.96Å | ||
| 1490 | E | 58.1 | Low | 57.3 | Low | 164 Ų | 164 | 68 Ų | 68 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -50.1 | -33.1 | -176.5 | -153 | 169.6 | -162 | 0 | 0 | 111.3 | C1488 Y1492 L1493 T1494 | C1488-E1490 PolarHBondContact O-N 2.9Å; E1490-Y1492 VanDerWaalsContact C-N 3.34Å; E1490-Y1492 PolarHBondContact O-N 3.13Å; E1490-L1493 PolarHBondContact O-N 2.95Å; E1490-L1493 VanDerWaalsContact O-N 3.13Å; E1490-T1494 PolarHBondContact O-N 3.4Å; E1490-T1494 VanDerWaalsContact O-N 3.09Å; E1490-T1494 PolarHBondContact O-OG1 3.45Å |
| 1491 | N | 60.3 | Low | 56.7 | Low | 112 Ų | 112 | 73.3 Ų | 73.3 | 60% | 0.599 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -48.8 | -45.3 | 170.4 | -70.7 | -17.2 | 0 | 0 | 0 | 113.9 | E1489 T1494 E1495 | E1489-N1491 HydrophobicContact CB-CB 4.5Å; E1489-N1491 PolarHBondContact O-N 3.2Å; N1491-T1494 WeakPolarHBondContact CA-OG1 3.2Å; N1491-T1494 PolarHBondContact O-N 3.36Å; N1491-T1494 PolarHBondContact O-OG1 3.41Å; N1491-E1495 WeakPolarHBondContact O-CB 3.07Å; N1491-E1495 PolarHBondContact O-N 3.01Å |
| 1492 | Y | 61.3 | Low | 56.7 | Low | 40 Ų | 40 | 75.3 Ų | 75.3 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -70.7 | -33.1 | -179.5 | -64.3 | -62.3 | 0 | 0 | 0 | 113 | K1451 L1454 E1489 E1490 E1495 L1496 | K1451-Y1492 HydrophobicContact CB-CE1 4.17Å; K1451-Y1492 HydrophobicContact CD-CE1 4.36Å; K1451-Y1492 HydrophobicContact CG-CE1 4.01Å; L1454-Y1492 HydrophobicContact CD1-CD1 4.19Å; L1454-Y1492 HydrophobicContact CD1-CG 4.24Å; E1489-Y1492 HydrophobicContact CB-CD2 3.66Å; E1489-Y1492 HydrophobicContact CB-CE2 3.78Å; E1489-Y1492 HydrophobicContact CG-CD2 4.31Å; E1489-Y1492 HydrophobicContact CG-CE2 3.98Å; E1489-Y1492 PolarHBondContact O-N 3.34Å; E1489-Y1492 WeakPolarHBondContact OE2-CE2 2.96Å; E1490-Y1492 VanDerWaalsContact C-N 3.34Å; E1490-Y1492 PolarHBondContact O-N 3.13Å; Y1492-E1495 PolarHBondContact O-N 3.13Å; Y1492-L1496 WeakPolarHBondContact O-CB 3.04Å; Y1492-L1496 PolarHBondContact O-N 3.46Å |
| 1493 | L | 62.7 | Low | 56.9 | Low | 40 Ų | 40 | 71.2 Ų | 71.2 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 175.3 | -72.1 | 171.5 | 0 | 0 | 0 | 110.6 | E1490 W1497 L1530 F1531 | E1490-L1493 PolarHBondContact O-N 2.95Å; E1490-L1493 VanDerWaalsContact O-N 3.13Å; L1493-W1497 PolarHBondContact O-N 3.4Å; L1493-L1530 HydrophobicContact CD2-CB 3.78Å; L1493-L1530 HydrophobicContact CD2-CD2 4.24Å; L1493-L1530 HydrophobicContact CD2-CG 4.41Å; L1493-F1531 HydrophobicContact CB-CE1 4.1Å; L1493-F1531 HydrophobicContact CD2-CD1 4.17Å; L1493-F1531 HydrophobicContact CD2-CE1 3.77Å; L1493-F1531 HydrophobicContact CD2-CZ 4.17Å; L1493-F1531 HydrophobicContact CG-CE1 4.49Å |
| 1494 | T | 64.2 | Low | 56.8 | Low | 83 Ų | 83 | 81.3 Ų | 81.3 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 172.3 | 23.8 | 0 | 0 | 0 | 0 | 111.9 | E1490 N1491 L1496 W1497 T1498 | E1490-T1494 PolarHBondContact O-N 3.4Å; E1490-T1494 VanDerWaalsContact O-N 3.09Å; E1490-T1494 PolarHBondContact O-OG1 3.45Å; N1491-T1494 WeakPolarHBondContact CA-OG1 3.2Å; N1491-T1494 PolarHBondContact O-N 3.36Å; N1491-T1494 PolarHBondContact O-OG1 3.41Å; T1494-L1496 VanDerWaalsContact C-N 3.35Å; T1494-L1496 PolarHBondContact O-N 3.33Å; T1494-W1497 PolarHBondContact O-N 3.23Å; T1494-W1497 VanDerWaalsContact O-N 3.15Å; T1494-T1498 PolarHBondContact O-N 3.07Å; T1494-T1498 PolarHBondContact O-OG1 2.87Å |
| 1495 | E | 63.2 | Low | 57 | Low | 112 Ų | 112 | 85.4 Ų | 85.4 | 52% | 0.523 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 177.2 | -84.1 | -174.6 | 163.5 | 0 | 0 | 112.3 | N1491 Y1492 T1498 A1499 | N1491-E1495 WeakPolarHBondContact O-CB 3.07Å; N1491-E1495 PolarHBondContact O-N 3.01Å; Y1492-E1495 PolarHBondContact O-N 3.13Å; E1495-T1498 WeakPolarHBondContact CA-OG1 3.24Å; E1495-T1498 PolarHBondContact O-OG1 3.45Å; E1495-A1499 WeakPolarHBondContact O-CB 3.31Å; E1495-A1499 PolarHBondContact O-N 2.94Å |
| 1496 | L | 66.1 | Low | 57.2 | Low | 7 Ų | 7 | 87.1 Ų | 87.1 | 4% | 0.037 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 174.4 | -173.9 | 76.4 | 0 | 0 | 0 | 109.7 | L1454 Y1492 T1494 A1499 L1500 L1530 F1531 | L1454-L1496 HydrophobicContact CD2-CD1 4.12Å; Y1492-L1496 WeakPolarHBondContact O-CB 3.04Å; Y1492-L1496 PolarHBondContact O-N 3.46Å; T1494-L1496 VanDerWaalsContact C-N 3.35Å; T1494-L1496 PolarHBondContact O-N 3.33Å; L1496-A1499 PolarHBondContact O-N 3.2Å; L1496-L1500 HydrophobicContact CG-CD1 4.24Å; L1496-L1500 HydrophobicContact CG-CG 4.41Å; L1496-L1500 WeakPolarHBondContact O-CB 3.46Å; L1496-L1500 WeakPolarHBondContact O-CG 3.48Å; L1496-L1500 PolarHBondContact O-N 2.98Å; L1496-L1530 HydrophobicContact CD2-CD1 4.08Å; L1496-F1531 HydrophobicContact CD2-CE2 3.92Å; L1496-F1531 HydrophobicContact CD2-CZ 3.94Å |
| 1497 | W | 63.8 | Low | 57.6 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | -179.8 | -100.1 | 137.5 | 0 | 0 | 0 | 113.8 | L1493 T1494 A1499 L1500 L1501 F1531 L1535 | L1493-W1497 PolarHBondContact O-N 3.4Å; T1494-W1497 PolarHBondContact O-N 3.23Å; T1494-W1497 VanDerWaalsContact O-N 3.15Å; W1497-A1499 VanDerWaalsContact C-N 3.29Å; W1497-A1499 PolarHBondContact O-N 3.27Å; W1497-L1500 HydrophobicContact CD2-CD1 4.28Å; W1497-L1500 HydrophobicContact CE3-CB 4Å; W1497-L1500 HydrophobicContact CE3-CD1 3.65Å; W1497-L1500 HydrophobicContact CE3-CG 4.42Å; W1497-L1500 HydrophobicContact CH2-CD1 4.36Å; W1497-L1500 HydrophobicContact CZ3-CB 4.26Å; W1497-L1500 HydrophobicContact CZ3-CD1 3.69Å; W1497-L1500 PolarHBondContact O-N 3.16Å; W1497-L1501 WeakPolarHBondContact O-CG 3.09Å; W1497-L1501 PolarHBondContact O-N 3.16Å; W1497-L1501 VanDerWaalsContact O-N 3.08Å; W1497-F1531 AromaticContact CD1-CD1 3.83Å; W1497-F1531 AromaticContact CD1-CE1 3.04Å; W1497-F1531 AromaticContact CD1-CZ 3.3Å; W1497-F1531 HydrophobicContact CD2-CE1 4.5Å; W1497-F1531 HydrophobicContact CD2-CZ 4.09Å; W1497-F1531 AromaticContact CE2-CE1 3.91Å; W1497-F1531 AromaticContact CE2-CE2 3.9Å; W1497-F1531 AromaticContact CE2-CZ 3.68Å; W1497-F1531 HydrophobicContact CG-CE1 4.01Å; W1497-F1531 AromaticContact CG-CZ 3.84Å; W1497-F1531 HydrophobicContact CG-CZ 3.84Å; W1497-F1531 HydrophobicContact CZ2-CD2 4.32Å; W1497-F1531 HydrophobicContact CZ2-CE2 4.18Å; W1497-F1531 HydrophobicContact CZ2-CZ 4.42Å; W1497-F1531 AromaticContact NE1-CD1 3.31Å; W1497-F1531 VanDerWaalsContact NE1-CD1 3.31Å; W1497-F1531 AromaticContact NE1-CE1 2.95Å; W1497-F1531 AromaticContact NE1-CE2 3.75Å; W1497-F1531 AromaticContact NE1-CG 3.87Å; W1497-F1531 AromaticContact NE1-CZ 3.18Å; W1497-L1535 HydrophobicContact CH2-CD1 4.5Å; W1497-L1535 HydrophobicContact CZ2-CD1 3.93Å |
| 1498 | T | 63.4 | Low | 57.9 | Low | 82 Ų | 82 | 79.1 Ų | 79.1 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 175.7 | 29.6 | 0 | 0 | 0 | 0 | 111 | T1494 E1495 L1501 T1502 | T1494-T1498 PolarHBondContact O-N 3.07Å; T1494-T1498 PolarHBondContact O-OG1 2.87Å; E1495-T1498 WeakPolarHBondContact CA-OG1 3.24Å; E1495-T1498 PolarHBondContact O-OG1 3.45Å; T1498-L1501 PolarHBondContact O-N 3.04Å; T1498-T1502 WeakPolarHBondContact O-CB 3.36Å; T1498-T1502 VanDerWaalsContact O-CG2 3.29Å; T1498-T1502 WeakPolarHBondContact O-CG2 3.35Å; T1498-T1502 PolarHBondContact O-N 3.36Å; T1498-T1502 PolarHBondContact O-OG1 3.35Å |
| 1499 | A | 61.7 | Low | 57.9 | Low | 18 Ų | 18 | 80 Ų | 80 | 15% | 0.149 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1458 E1495 L1496 W1497 L1501 T1502 L1503 | L1458-A1499 HydrophobicContact CD1-CB 4.33Å; L1458-A1499 HydrophobicContact CD2-CB 3.58Å; E1495-A1499 WeakPolarHBondContact O-CB 3.31Å; E1495-A1499 PolarHBondContact O-N 2.94Å; L1496-A1499 PolarHBondContact O-N 3.2Å; W1497-A1499 VanDerWaalsContact C-N 3.29Å; W1497-A1499 PolarHBondContact O-N 3.27Å; A1499-L1501 PolarHBondContact O-N 3.13Å; A1499-T1502 WeakPolarHBondContact CA-OG1 3.29Å; A1499-T1502 PolarHBondContact O-N 2.83Å; A1499-T1502 VanDerWaalsContact O-N 3.16Å; A1499-T1502 PolarHBondContact O-OG1 3.17Å; A1499-L1503 WeakPolarHBondContact O-CD1 3.39Å; A1499-L1503 WeakPolarHBondContact O-CG 3.36Å; A1499-L1503 PolarHBondContact O-N 3.09Å |
| 1500 | L | 60.6 | Low | 57.5 | Low | 16 Ų | 16 | 81.5 Ų | 81.5 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57 | -37 | 176.6 | -71.9 | 177.2 | 0 | 0 | 0 | 112.3 | L1496 W1497 I1507 F1523 | L1496-L1500 HydrophobicContact CG-CD1 4.24Å; L1496-L1500 HydrophobicContact CG-CG 4.41Å; L1496-L1500 WeakPolarHBondContact O-CB 3.46Å; L1496-L1500 WeakPolarHBondContact O-CG 3.48Å; L1496-L1500 PolarHBondContact O-N 2.98Å; W1497-L1500 HydrophobicContact CD2-CD1 4.28Å; W1497-L1500 HydrophobicContact CE3-CB 4Å; W1497-L1500 HydrophobicContact CE3-CD1 3.65Å; W1497-L1500 HydrophobicContact CE3-CG 4.42Å; W1497-L1500 HydrophobicContact CH2-CD1 4.36Å; W1497-L1500 HydrophobicContact CZ3-CB 4.26Å; W1497-L1500 HydrophobicContact CZ3-CD1 3.69Å; W1497-L1500 PolarHBondContact O-N 3.16Å; L1500-I1507 HydrophobicContact CD2-CD1 3.01Å; L1500-I1507 HydrophobicContact CD2-CG1 4.45Å; L1500-I1507 HydrophobicContact CG-CD1 4.39Å; L1500-F1523 HydrophobicContact CD1-CE1 4.33Å; L1500-F1523 HydrophobicContact CD1-CZ 4.08Å; L1500-F1523 HydrophobicContact CD2-CE1 4.01Å; L1500-F1523 HydrophobicContact CD2-CZ 3.77Å; L1500-F1523 HydrophobicContact CG-CZ 4.48Å |
| 1501 | L | 58.2 | Low | 57.1 | Low | 141 Ų | 141 | 75 Ų | 75 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -81.4 | -26.2 | 178.6 | -67.8 | 170.4 | 0 | 0 | 0 | 113.8 | W1497 T1498 A1499 | W1497-L1501 WeakPolarHBondContact O-CG 3.09Å; W1497-L1501 PolarHBondContact O-N 3.16Å; W1497-L1501 VanDerWaalsContact O-N 3.08Å; T1498-L1501 PolarHBondContact O-N 3.04Å; A1499-L1501 PolarHBondContact O-N 3.13Å |
| 1502 | T | 55.1 | Low | 56.7 | Low | 107 Ų | 107 | 77 Ų | 77 | 66% | 0.656 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -101.6 | -8.9 | -175.2 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | T1498 A1499 R1504 | T1498-T1502 WeakPolarHBondContact O-CB 3.36Å; T1498-T1502 VanDerWaalsContact O-CG2 3.29Å; T1498-T1502 WeakPolarHBondContact O-CG2 3.35Å; T1498-T1502 PolarHBondContact O-N 3.36Å; T1498-T1502 PolarHBondContact O-OG1 3.35Å; A1499-T1502 WeakPolarHBondContact CA-OG1 3.29Å; A1499-T1502 PolarHBondContact O-N 2.83Å; A1499-T1502 VanDerWaalsContact O-N 3.16Å; A1499-T1502 PolarHBondContact O-OG1 3.17Å; T1502-R1504 PolarHBondContact O-N 3.38Å; T1502-R1504 VanDerWaalsContact O-N 3.15Å |
| 1503 | L | 53.8 | Low | 56.8 | Low | 39 Ų | 39 | 79.9 Ų | 79.9 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | trans | -59.3 | 118.4 | 176.7 | -84.7 | 160.4 | 0 | 0 | 0 | 111.1 | I1461 A1499 K1505 I1507 | I1461-L1503 HydrophobicContact CG2-CD1 3.83Å; I1461-L1503 HydrophobicContact CG2-CD2 4.37Å; A1499-L1503 WeakPolarHBondContact O-CD1 3.39Å; A1499-L1503 WeakPolarHBondContact O-CG 3.36Å; A1499-L1503 PolarHBondContact O-N 3.09Å; L1503-K1505 CarbonylContact O-C 3.45Å; L1503-K1505 PolarHBondContact O-N 3.1Å; L1503-K1505 VanDerWaalsContact O-N 3.09Å; L1503-I1507 HydrophobicContact CD1-CD1 3.5Å; L1503-I1507 VanDerWaalsContact CD1-CD1 3.5Å; L1503-I1507 HydrophobicContact CD1-CG1 4.07Å | ||
| 1504 | R | 46.9 | Very low | 56.7 | Low | 254 Ų | 254 | 82.1 Ų | 82.1 | 96% | 0.958 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -53 | -30.3 | 179.1 | -94.9 | -175.4 | 176.2 | 172 | -0.8 | 114.2 | T1502 | T1502-R1504 PolarHBondContact O-N 3.38Å; T1502-R1504 VanDerWaalsContact O-N 3.15Å |
| 1505 | K | 48.8 | Very low | 56.9 | Low | 130 Ų | 130 | 82 Ų | 82 | 57% | 0.565 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -102.3 | 117.7 | 167.6 | -79 | -172.1 | 178.4 | -177.6 | 0 | 107.6 | S1464 L1503 I1507 | S1464-K1505 PolarHBondContact OG-NZ 2.65Å; L1503-K1505 CarbonylContact O-C 3.45Å; L1503-K1505 PolarHBondContact O-N 3.1Å; L1503-K1505 VanDerWaalsContact O-N 3.09Å; K1505-I1507 PolarHBondContact O-N 2.96Å |
| 1506 | P | 50.8 | Low | 57.4 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | trans | -63.8 | 127.5 | 177 | 21.4 | -25.9 | 0 | 0 | 0 | 108.6 | F1508 S1509 | P1506-F1508 PolarHBondContact O-N 3.34Å; P1506-F1508 VanDerWaalsContact O-N 3.08Å; P1506-S1509 WeakPolarHBondContact O-CB 3.45Å; P1506-S1509 PolarHBondContact O-N 3.48Å; P1506-S1509 PolarHBondContact O-OG 3.38Å | ||
| 1507 | I | 55.4 | Low | 57.3 | Low | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -28.1 | 171.9 | -76.2 | 159 | 0 | 0 | 0 | 111.2 | I1461 L1500 L1503 K1505 S1509 H1516 F1519 L1520 | I1461-I1507 HydrophobicContact CD1-CD1 4.21Å; I1461-I1507 HydrophobicContact CG2-CD1 3.96Å; I1461-I1507 HydrophobicContact CG2-CG1 3.63Å; L1500-I1507 HydrophobicContact CD2-CD1 3.01Å; L1500-I1507 HydrophobicContact CD2-CG1 4.45Å; L1500-I1507 HydrophobicContact CG-CD1 4.39Å; L1503-I1507 HydrophobicContact CD1-CD1 3.5Å; L1503-I1507 VanDerWaalsContact CD1-CD1 3.5Å; L1503-I1507 HydrophobicContact CD1-CG1 4.07Å; K1505-I1507 PolarHBondContact O-N 2.96Å; I1507-S1509 VanDerWaalsContact C-N 3.33Å; I1507-H1516 PolarHBondContact O-CE1 3.49Å; I1507-H1516 VanDerWaalsContact O-CE1 3.28Å; I1507-H1516 PolarHBondContact O-NE2 3.48Å; I1507-F1519 HydrophobicContact CG2-CE1 3.98Å; I1507-L1520 HydrophobicContact CG2-CD2 3.73Å |
| 1508 | F | 54.7 | Low | 57.8 | Low | 52 Ų | 52 | 81.7 Ų | 81.7 | 23% | 0.228 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 13 | 177.4 | -50.4 | -64.9 | 0 | 0 | 0 | 113.7 | P1506 L1520 R1553 L1557 | P1506-F1508 PolarHBondContact O-N 3.34Å; P1506-F1508 VanDerWaalsContact O-N 3.08Å; F1508-L1520 HydrophobicContact CD1-CD2 4.25Å; F1508-L1520 HydrophobicContact CE1-CD2 4.32Å; F1508-R1553 WeakPolarHBondContact O-CD 3.45Å; F1508-R1553 PolarHBondContact O-NE 3.16Å; F1508-R1553 PolarHBondContact O-NH1 2.87Å; F1508-L1557 HydrophobicContact CD1-CD1 4.3Å; F1508-L1557 HydrophobicContact CE1-CD1 3.66Å; F1508-L1557 HydrophobicContact CZ-CD1 4.09Å |
| 1509 | S | 51.7 | Low | 58.7 | Low | 37 Ų | 37 | 77.8 Ų | 77.8 | 26% | 0.259 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -62.8 | 139.9 | 168.8 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | P1506 I1507 S1511 H1516 | P1506-S1509 WeakPolarHBondContact O-CB 3.45Å; P1506-S1509 PolarHBondContact O-N 3.48Å; P1506-S1509 PolarHBondContact O-OG 3.38Å; I1507-S1509 VanDerWaalsContact C-N 3.33Å; S1509-S1511 VanDerWaalsContact C-N 3.26Å; S1509-S1511 PolarHBondContact O-N 3.27Å; S1509-H1516 PolarHBondContact O-CE1 3.21Å |
| 1510 | L | 47 | Very low | 59.1 | Low | 144 Ų | 144 | 79 Ų | 79 | 75% | 0.754 | 40% | 0.399 | S | S | * | . | trans | -67.1 | 89.2 | 168.8 | -90.7 | 154.3 | 0 | 0 | 0 | 107.8 | ||||
| 1511 | S | 49.2 | Very low | 59.5 | Low | 26 Ų | 26 | 82.5 Ų | 82.5 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | trans | -91.7 | 131.7 | 160 | 95.6 | 0 | 0 | 0 | 0 | 107.3 | S1509 E1513 H1516 | S1509-S1511 VanDerWaalsContact C-N 3.26Å; S1509-S1511 PolarHBondContact O-N 3.27Å; S1511-E1513 PolarHBondContact O-N 2.78Å; S1511-E1513 VanDerWaalsContact O-N 3.17Å; S1511-E1513 PolarHBondContact OG-N 3.39Å; S1511-H1516 WeakPolarHBondContact OG-CB 3Å; S1511-H1516 PolarHBondContact OG-ND1 3.33Å | ||
| 1512 | N | 52.1 | Low | 60.4 | Low | 155 Ų | 155 | 78 Ų | 78 | 83% | 0.829 | 39% | 0.393 | S | S | * | . | trans | -77.5 | 17.2 | 171.7 | -76.4 | -14.3 | 0 | 0 | 0 | 111.6 | P1514 | N1512-P1514 WeakPolarHBondContact O-CD 3.17Š| ||
| 1513 | E | 63.7 | Low | 61.6 | Low | 100 Ų | 100 | 73.2 Ų | 73.2 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | trans | -81.2 | 120.5 | -179 | -62.8 | -173.7 | 176.5 | 0 | 0 | 109.2 | W1466 S1511 F1515 H1516 | W1466-E1513 PolarHBondContact NE1-OE2 3.41Å; S1511-E1513 PolarHBondContact O-N 2.78Å; S1511-E1513 VanDerWaalsContact O-N 3.17Å; S1511-E1513 PolarHBondContact OG-N 3.39Å; E1513-F1515 VanDerWaalsContact C-N 3.29Å; E1513-F1515 PolarHBondContact O-N 2.76Å; E1513-H1516 HydrophobicContact CB-CB 4.27Å; E1513-H1516 VanDerWaalsContact O-CB 3.27Å; E1513-H1516 WeakPolarHBondContact O-CB 3.39Å; E1513-H1516 PolarHBondContact O-N 3.42Å | ||
| 1514 | P | 59.9 | Low | 62.4 | Low | 88 Ų | 88 | 74.9 Ų | 74.9 | 57% | 0.571 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -57.1 | -38.8 | -171.2 | 13.9 | -26.3 | 0 | 0 | 0 | 113.5 | N1512 H1516 I1517 E1518 | N1512-P1514 WeakPolarHBondContact O-CD 3.17Å; P1514-H1516 VanDerWaalsContact C-N 3.28Å; P1514-H1516 PolarHBondContact O-N 3.48Å; P1514-I1517 PolarHBondContact O-N 2.84Å; P1514-E1518 PolarHBondContact O-N 2.99Å |
| 1515 | F | 69.9 | Low | 63.6 | Low | 81 Ų | 81 | 67.2 Ų | 67.2 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.9 | -18.9 | 177.7 | -67.9 | -65 | 0 | 0 | 0 | 114.1 | W1466 Y1467 Y1470 E1513 E1518 F1519 | W1466-F1515 HydrophobicContact CB-CB 4.11Å; Y1467-F1515 AromaticContact CD2-CD1 3.68Å; Y1467-F1515 HydrophobicContact CD2-CD1 3.68Å; Y1467-F1515 HydrophobicContact CD2-CD2 4.39Å; Y1467-F1515 AromaticContact CD2-CE1 3.48Å; Y1467-F1515 HydrophobicContact CD2-CE1 3.48Å; Y1467-F1515 VanDerWaalsContact CD2-CE1 3.48Å; Y1467-F1515 HydrophobicContact CD2-CE2 4.21Å; Y1467-F1515 HydrophobicContact CD2-CG 4.14Å; Y1467-F1515 AromaticContact CD2-CZ 3.76Å; Y1467-F1515 HydrophobicContact CD2-CZ 3.76Å; Y1467-F1515 AromaticContact CE2-CE1 3.99Å; Y1467-F1515 HydrophobicContact CE2-CE1 3.99Å; Y1467-F1515 HydrophobicContact CE2-CZ 4.18Å; Y1467-F1515 HydrophobicContact CG-CD1 4.47Å; Y1470-F1515 HydrophobicContact CD1-CD1 4.46Å; E1513-F1515 VanDerWaalsContact C-N 3.29Å; E1513-F1515 PolarHBondContact O-N 2.76Å; F1515-E1518 WeakPolarHBondContact CD1-OE2 3.28Å; F1515-F1519 WeakPolarHBondContact O-CB 3.39Å; F1515-F1519 PolarHBondContact O-N 3.11Å |
| 1516 | H | 72.2 | Confident | 64.8 | Low | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 173.6 | 177.3 | -125.7 | 0 | 0 | 0 | 111 | W1466 I1507 S1509 S1511 E1513 P1514 F1519 L1520 | W1466-H1516 HydrophobicContact CB-CB 4.37Å; W1466-H1516 HydrophobicContact CD2-CB 4.08Å; W1466-H1516 AromaticContact CD2-CD2 3.57Å; W1466-H1516 AromaticContact CE2-CD2 3.59Å; W1466-H1516 AromaticContact CE3-CD2 3.59Å; W1466-H1516 HydrophobicContact CG-CB 3.88Å; W1466-H1516 AromaticContact CH2-CD2 3.68Å; W1466-H1516 AromaticContact CH2-NE2 3.89Å; W1466-H1516 AromaticContact CZ2-CD2 3.66Å; W1466-H1516 AromaticContact CZ3-CD2 3.64Å; I1507-H1516 PolarHBondContact O-CE1 3.49Å; I1507-H1516 VanDerWaalsContact O-CE1 3.28Å; I1507-H1516 PolarHBondContact O-NE2 3.48Å; S1509-H1516 PolarHBondContact O-CE1 3.21Å; S1511-H1516 WeakPolarHBondContact OG-CB 3Å; S1511-H1516 PolarHBondContact OG-ND1 3.33Å; E1513-H1516 HydrophobicContact CB-CB 4.27Å; E1513-H1516 VanDerWaalsContact O-CB 3.27Å; E1513-H1516 WeakPolarHBondContact O-CB 3.39Å; E1513-H1516 PolarHBondContact O-N 3.42Å; P1514-H1516 VanDerWaalsContact C-N 3.28Å; P1514-H1516 PolarHBondContact O-N 3.48Å; H1516-F1519 WeakPolarHBondContact O-CB 3.31Å; H1516-L1520 WeakPolarHBondContact O-CB 3.47Å; H1516-L1520 VanDerWaalsContact O-CG 3.28Å; H1516-L1520 WeakPolarHBondContact O-CG 3.21Å; H1516-L1520 PolarHBondContact O-N 3.17Å |
| 1517 | I | 65.4 | Low | 65.7 | Low | 95 Ų | 95 | 59.1 Ų | 59.1 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -47.2 | 175.1 | -61.4 | 175.6 | 0 | 0 | 0 | 110.6 | P1514 F1519 L1520 I1521 | P1514-I1517 PolarHBondContact O-N 2.84Å; I1517-F1519 VanDerWaalsContact C-N 3.32Å; I1517-F1519 PolarHBondContact O-N 3.38Å; I1517-L1520 PolarHBondContact O-N 2.5Å; I1517-L1520 VanDerWaalsContact O-N 3.14Å; I1517-I1521 HydrophobicContact CG2-CD1 4.14Å; I1517-I1521 WeakPolarHBondContact O-CG1 3.37Å; I1517-I1521 PolarHBondContact O-N 2.83Å |
| 1518 | E | 73.1 | Confident | 66.1 | Low | 79 Ų | 79 | 63.5 Ų | 63.5 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.4 | -67.4 | -176.1 | 179.1 | 0 | 0 | 111.3 | Y1470 P1514 F1515 I1521 E1522 | Y1470-E1518 VanDerWaalsContact CD2-C 3.4Å; Y1470-E1518 HydrophobicContact CD2-CB 3.76Å; Y1470-E1518 WeakPolarHBondContact CD2-O 3.37Å; Y1470-E1518 HydrophobicContact CE1-CB 4.41Å; Y1470-E1518 WeakPolarHBondContact CE1-OE2 3.3Å; Y1470-E1518 HydrophobicContact CE2-CB 3.65Å; Y1470-E1518 HydrophobicContact CG-CB 4.17Å; P1514-E1518 PolarHBondContact O-N 2.99Å; F1515-E1518 WeakPolarHBondContact CD1-OE2 3.28Å; E1518-I1521 PolarHBondContact O-N 2.92Å; E1518-E1522 PolarHBondContact O-N 2.76Å; E1518-E1522 VanDerWaalsContact O-N 3.08Å |
| 1519 | F | 81.9 | Confident | 66.7 | Low | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.5 | -50.9 | 170.6 | 163.5 | -102.9 | 0 | 0 | 0 | 111.6 | L1457 I1461 W1466 A1469 I1507 F1515 H1516 I1517 I1521 E1522 F1523 | L1457-F1519 HydrophobicContact CD1-CE2 4.08Å; I1461-F1519 HydrophobicContact CD1-CE2 4.28Å; I1461-F1519 HydrophobicContact CD1-CZ 3.73Å; I1461-F1519 HydrophobicContact CG1-CE2 4.43Å; I1461-F1519 HydrophobicContact CG1-CZ 3.99Å; W1466-F1519 AromaticContact CE3-CD1 3.63Å; W1466-F1519 HydrophobicContact CE3-CD1 3.63Å; W1466-F1519 AromaticContact CE3-CE1 3.97Å; W1466-F1519 HydrophobicContact CE3-CE1 3.97Å; W1466-F1519 HydrophobicContact CE3-CG 4.12Å; W1466-F1519 AromaticContact CZ3-CD1 3.79Å; W1466-F1519 HydrophobicContact CZ3-CD1 3.79Å; W1466-F1519 AromaticContact CZ3-CE1 3.66Å; W1466-F1519 HydrophobicContact CZ3-CE1 3.66Å; W1466-F1519 HydrophobicContact CZ3-CZ 4.42Å; A1469-F1519 HydrophobicContact CB-CD2 3.77Å; A1469-F1519 HydrophobicContact CB-CE2 3.97Å; I1507-F1519 HydrophobicContact CG2-CE1 3.98Å; F1515-F1519 WeakPolarHBondContact O-CB 3.39Å; F1515-F1519 PolarHBondContact O-N 3.11Å; H1516-F1519 WeakPolarHBondContact O-CB 3.31Å; I1517-F1519 VanDerWaalsContact C-N 3.32Å; I1517-F1519 PolarHBondContact O-N 3.38Å; F1519-I1521 VanDerWaalsContact C-N 3.26Å; F1519-I1521 PolarHBondContact O-N 3.21Å; F1519-E1522 PolarHBondContact O-N 2.97Å; F1519-F1523 HydrophobicContact CD2-CB 4.23Å; F1519-F1523 HydrophobicContact CE1-CB 4.29Å; F1519-F1523 HydrophobicContact CE1-CG 4.33Å; F1519-F1523 HydrophobicContact CE2-CB 3.81Å; F1519-F1523 AromaticContact CE2-CD2 3.88Å; F1519-F1523 HydrophobicContact CE2-CD2 3.88Å; F1519-F1523 AromaticContact CE2-CG 3.97Å; F1519-F1523 HydrophobicContact CE2-CG 3.97Å; F1519-F1523 HydrophobicContact CZ-CB 3.85Å; F1519-F1523 HydrophobicContact CZ-CD1 4.21Å; F1519-F1523 AromaticContact CZ-CD2 3.8Å; F1519-F1523 HydrophobicContact CZ-CD2 3.8Å; F1519-F1523 HydrophobicContact CZ-CE2 4.46Å; F1519-F1523 AromaticContact CZ-CG 3.68Å; F1519-F1523 HydrophobicContact CZ-CG 3.68Å; F1519-F1523 WeakPolarHBondContact O-CA 3.42Å; F1519-F1523 WeakPolarHBondContact O-CB 3.4Å; F1519-F1523 PolarHBondContact O-N 3.29Å |
| 1520 | L | 70.8 | Confident | 67.4 | Low | 42 Ų | 42 | 65.1 Ų | 65.1 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | -178.8 | -77.3 | 172.5 | 0 | 0 | 0 | 112.3 | I1507 F1508 H1516 I1517 R1524 | I1507-L1520 HydrophobicContact CG2-CD2 3.73Å; F1508-L1520 HydrophobicContact CD1-CD2 4.25Å; F1508-L1520 HydrophobicContact CE1-CD2 4.32Å; H1516-L1520 WeakPolarHBondContact O-CB 3.47Å; H1516-L1520 VanDerWaalsContact O-CG 3.28Å; H1516-L1520 WeakPolarHBondContact O-CG 3.21Å; H1516-L1520 PolarHBondContact O-N 3.17Å; I1517-L1520 PolarHBondContact O-N 2.5Å; I1517-L1520 VanDerWaalsContact O-N 3.14Å; L1520-R1524 VanDerWaalsContact O-CB 3.22Å; L1520-R1524 WeakPolarHBondContact O-CB 2.88Å; L1520-R1524 PolarHBondContact O-N 3.02Å |
| 1521 | I | 68.6 | Low | 68.1 | Low | 90 Ų | 90 | 59.8 Ų | 59.8 | 46% | 0.462 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67 | -50.6 | 177 | -66.1 | 167 | 0 | 0 | 0 | 110.5 | I1517 E1518 F1519 R1524 H1525 | I1517-I1521 HydrophobicContact CG2-CD1 4.14Å; I1517-I1521 WeakPolarHBondContact O-CG1 3.37Å; I1517-I1521 PolarHBondContact O-N 2.83Å; E1518-I1521 PolarHBondContact O-N 2.92Å; F1519-I1521 VanDerWaalsContact C-N 3.26Å; F1519-I1521 PolarHBondContact O-N 3.21Å; I1521-R1524 WeakPolarHBondContact O-CB 3.42Å; I1521-R1524 PolarHBondContact O-N 3.21Å; I1521-H1525 PolarHBondContact O-N 2.86Å; I1521-H1525 PolarHBondContact O-ND1 3.33Å |
| 1522 | E | 77.2 | Confident | 68.3 | Low | 47 Ų | 47 | 63.6 Ų | 63.6 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 179.5 | -75.3 | -61.2 | 145.1 | 0 | 0 | 112.3 | Y1470 C1473 I1474 N1477 E1518 F1519 R1524 H1525 I1526 | Y1470-E1522 HydrophobicContact CD2-CB 4.11Å; Y1470-E1522 HydrophobicContact CD2-CG 3.77Å; Y1470-E1522 HydrophobicContact CE2-CB 4.26Å; Y1470-E1522 HydrophobicContact CE2-CG 3.42Å; Y1470-E1522 VanDerWaalsContact CE2-CG 3.42Å; C1473-E1522 HydrophobicContact CB-CB 3.79Å; I1474-E1522 HydrophobicContact CG1-CG 3.96Å; N1477-E1522 PolarHBondContact ND2-O 2.73Å; N1477-E1522 PolarHBondContact ND2-OE2 3.35Å; E1518-E1522 PolarHBondContact O-N 2.76Å; E1518-E1522 VanDerWaalsContact O-N 3.08Å; F1519-E1522 PolarHBondContact O-N 2.97Å; E1522-R1524 VanDerWaalsContact C-N 3.29Å; E1522-R1524 PolarHBondContact O-N 3.22Å; E1522-H1525 WeakPolarHBondContact O-CB 3.21Å; E1522-H1525 PolarHBondContact O-N 3.13Å; E1522-I1526 PolarHBondContact O-N 2.92Å |
| 1523 | F | 80.7 | Confident | 68.3 | Low | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 173.9 | -173.1 | -109.5 | 0 | 0 | 0 | 111.3 | L1457 L1500 F1519 H1525 I1526 C1527 | L1457-F1523 HydrophobicContact CD2-CD2 4.41Å; L1457-F1523 HydrophobicContact CD2-CE2 4.12Å; L1500-F1523 HydrophobicContact CD1-CE1 4.33Å; L1500-F1523 HydrophobicContact CD1-CZ 4.08Å; L1500-F1523 HydrophobicContact CD2-CE1 4.01Å; L1500-F1523 HydrophobicContact CD2-CZ 3.77Å; L1500-F1523 HydrophobicContact CG-CZ 4.48Å; F1519-F1523 HydrophobicContact CD2-CB 4.23Å; F1519-F1523 HydrophobicContact CE1-CB 4.29Å; F1519-F1523 HydrophobicContact CE1-CG 4.33Å; F1519-F1523 HydrophobicContact CE2-CB 3.81Å; F1519-F1523 AromaticContact CE2-CD2 3.88Å; F1519-F1523 HydrophobicContact CE2-CD2 3.88Å; F1519-F1523 AromaticContact CE2-CG 3.97Å; F1519-F1523 HydrophobicContact CE2-CG 3.97Å; F1519-F1523 HydrophobicContact CZ-CB 3.85Å; F1519-F1523 HydrophobicContact CZ-CD1 4.21Å; F1519-F1523 AromaticContact CZ-CD2 3.8Å; F1519-F1523 HydrophobicContact CZ-CD2 3.8Å; F1519-F1523 HydrophobicContact CZ-CE2 4.46Å; F1519-F1523 AromaticContact CZ-CG 3.68Å; F1519-F1523 HydrophobicContact CZ-CG 3.68Å; F1519-F1523 WeakPolarHBondContact O-CA 3.42Å; F1519-F1523 WeakPolarHBondContact O-CB 3.4Å; F1519-F1523 PolarHBondContact O-N 3.29Å; F1523-H1525 VanDerWaalsContact C-N 3.32Å; F1523-H1525 PolarHBondContact O-N 3.32Å; F1523-I1526 WeakPolarHBondContact O-CB 3.43Å; F1523-I1526 PolarHBondContact O-N 3.17Å; F1523-C1527 WeakPolarHBondContact CE1-SG 3.35Å; F1523-C1527 VanDerWaalsContact CZ-SG 3.54Å; F1523-C1527 WeakPolarHBondContact O-CB 3.26Å; F1523-C1527 PolarHBondContact O-N 3.45Å; F1523-C1527 PolarHBondContact O-SG 3.48Å; F1523-C1527 VanDerWaalsContact O-SG 3.37Å |
| 1524 | R | 70 | Confident | 67.9 | Low | 74 Ų | 74 | 64.8 Ų | 64.8 | 28% | 0.279 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 172.1 | 179.8 | -172 | -177.1 | -175.2 | 7.5 | 111.9 | L1520 I1521 E1522 I1526 C1527 I1528 L1557 | L1520-R1524 VanDerWaalsContact O-CB 3.22Å; L1520-R1524 WeakPolarHBondContact O-CB 2.88Å; L1520-R1524 PolarHBondContact O-N 3.02Å; I1521-R1524 WeakPolarHBondContact O-CB 3.42Å; I1521-R1524 PolarHBondContact O-N 3.21Å; E1522-R1524 VanDerWaalsContact C-N 3.29Å; E1522-R1524 PolarHBondContact O-N 3.22Å; R1524-I1526 VanDerWaalsContact C-N 3.33Å; R1524-C1527 PolarHBondContact O-N 3.26Å; R1524-I1528 HydrophobicContact CG-CD1 3.97Å; R1524-I1528 VanDerWaalsContact O-CG1 3.27Å; R1524-I1528 WeakPolarHBondContact O-CG1 3.23Å; R1524-I1528 PolarHBondContact O-N 2.87Å; R1524-L1557 HydrophobicContact CG-CD2 4.45Å; R1524-L1557 VanDerWaalsContact CZ-O 3.3Å; R1524-L1557 PolarHBondContact NE-O 3.38Å; R1524-L1557 PolarHBondContact NH2-O 3.02Å |
| 1525 | H | 72.4 | Confident | 67.7 | Low | 92 Ų | 92 | 63.1 Ų | 63.1 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 177.9 | -71.3 | 78.6 | 0 | 0 | 0 | 111.4 | I1521 E1522 F1523 I1528 K1529 | I1521-H1525 PolarHBondContact O-N 2.86Å; I1521-H1525 PolarHBondContact O-ND1 3.33Å; E1522-H1525 WeakPolarHBondContact O-CB 3.21Å; E1522-H1525 PolarHBondContact O-N 3.13Å; F1523-H1525 VanDerWaalsContact C-N 3.32Å; F1523-H1525 PolarHBondContact O-N 3.32Å; H1525-I1528 PolarHBondContact O-N 3.49Å; H1525-K1529 WeakPolarHBondContact O-CG 3.48Å; H1525-K1529 PolarHBondContact O-N 3.28Å |
| 1526 | I | 74.5 | Confident | 67 | Low | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -47.8 | 173.1 | -66.6 | 172.7 | 0 | 0 | 0 | 110.8 | C1473 M1476 E1522 F1523 R1524 I1528 K1529 L1530 | C1473-I1526 VanDerWaalsContact CA-CD1 3.44Å; C1473-I1526 HydrophobicContact CB-CD1 3.43Å; C1473-I1526 VanDerWaalsContact CB-CD1 3.43Å; C1473-I1526 WeakPolarHBondContact O-CD1 3.43Å; M1476-I1526 HydrophobicContact CB-CD1 3.9Å; M1476-I1526 HydrophobicContact CE-CG2 4.33Å; M1476-I1526 HydrophobicContact SD-CD1 4.32Å; E1522-I1526 PolarHBondContact O-N 2.92Å; F1523-I1526 WeakPolarHBondContact O-CB 3.43Å; F1523-I1526 PolarHBondContact O-N 3.17Å; R1524-I1526 VanDerWaalsContact C-N 3.33Å; I1526-I1528 VanDerWaalsContact C-N 3.33Å; I1526-I1528 PolarHBondContact O-N 2.71Å; I1526-K1529 CarbonylContact O-C 3.29Å; I1526-K1529 PolarHBondContact O-N 2.88Å; I1526-K1529 VanDerWaalsContact O-N 3.1Å; I1526-L1530 HydrophobicContact CG2-CD1 3.48Å; I1526-L1530 VanDerWaalsContact CG2-CD1 3.48Å; I1526-L1530 HydrophobicContact CG2-CG 3.98Å; I1526-L1530 WeakPolarHBondContact O-CB 3.41Å; I1526-L1530 WeakPolarHBondContact O-CG 3.34Å; I1526-L1530 PolarHBondContact O-N 2.6Å |
| 1527 | C | 69 | Low | 66.3 | Low | 20 Ų | 20 | 68 Ų | 68 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 178.1 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | F1523 R1524 K1529 L1530 F1531 | F1523-C1527 WeakPolarHBondContact CE1-SG 3.35Å; F1523-C1527 VanDerWaalsContact CZ-SG 3.54Å; F1523-C1527 WeakPolarHBondContact O-CB 3.26Å; F1523-C1527 PolarHBondContact O-N 3.45Å; F1523-C1527 PolarHBondContact O-SG 3.48Å; F1523-C1527 VanDerWaalsContact O-SG 3.37Å; R1524-C1527 PolarHBondContact O-N 3.26Å; C1527-K1529 VanDerWaalsContact C-N 3.33Å; C1527-K1529 PolarHBondContact O-N 3.5Å; C1527-L1530 PolarHBondContact O-N 3.36Å; C1527-F1531 HydrophobicContact CB-CD2 4.12Å; C1527-F1531 WeakPolarHBondContact O-CB 3.34Å; C1527-F1531 WeakPolarHBondContact O-CD2 3.14Å; C1527-F1531 PolarHBondContact O-N 2.72Å |
| 1528 | I | 63.9 | Low | 65.8 | Low | 93 Ų | 93 | 71.7 Ų | 71.7 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175 | -69.5 | 166.1 | 0 | 0 | 0 | 110.5 | R1524 H1525 I1526 N1532 | R1524-I1528 HydrophobicContact CG-CD1 3.97Å; R1524-I1528 VanDerWaalsContact O-CG1 3.27Å; R1524-I1528 WeakPolarHBondContact O-CG1 3.23Å; R1524-I1528 PolarHBondContact O-N 2.87Å; H1525-I1528 PolarHBondContact O-N 3.49Å; I1526-I1528 VanDerWaalsContact C-N 3.33Å; I1526-I1528 PolarHBondContact O-N 2.71Å; I1528-N1532 PolarHBondContact O-N 3.15Å; I1528-N1532 VanDerWaalsContact O-N 3.13Å |
| 1529 | K | 68.3 | Low | 65.1 | Low | 95 Ų | 95 | 70.3 Ų | 70.3 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 177.9 | -72.9 | 176.7 | 179.6 | 179 | 0 | 113 | N1477 Y1480 H1525 I1526 C1527 | N1477-K1529 PolarHBondContact O-NZ 2.85Å; N1477-K1529 PolarHBondContact OD1-NZ 3.48Å; Y1480-K1529 PolarHBondContact O-NZ 3.09Å; H1525-K1529 WeakPolarHBondContact O-CG 3.48Å; H1525-K1529 PolarHBondContact O-N 3.28Å; I1526-K1529 CarbonylContact O-C 3.29Å; I1526-K1529 PolarHBondContact O-N 2.88Å; I1526-K1529 VanDerWaalsContact O-N 3.1Å; C1527-K1529 VanDerWaalsContact C-N 3.33Å; C1527-K1529 PolarHBondContact O-N 3.5Å |
| 1530 | L | 66.1 | Low | 63.9 | Low | 28 Ų | 28 | 77.7 Ų | 77.7 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -81.9 | -43.9 | -179.2 | -74.1 | 178.9 | 0 | 0 | 0 | 113.2 | L1493 L1496 I1526 C1527 | L1493-L1530 HydrophobicContact CD2-CB 3.78Å; L1493-L1530 HydrophobicContact CD2-CD2 4.24Å; L1493-L1530 HydrophobicContact CD2-CG 4.41Å; L1496-L1530 HydrophobicContact CD2-CD1 4.08Å; I1526-L1530 HydrophobicContact CG2-CD1 3.48Å; I1526-L1530 VanDerWaalsContact CG2-CD1 3.48Å; I1526-L1530 HydrophobicContact CG2-CG 3.98Å; I1526-L1530 WeakPolarHBondContact O-CB 3.41Å; I1526-L1530 WeakPolarHBondContact O-CG 3.34Å; I1526-L1530 PolarHBondContact O-N 2.6Å; C1527-L1530 PolarHBondContact O-N 3.36Å |
| 1531 | F | 61.5 | Low | 63.7 | Low | 32 Ų | 32 | 77.5 Ų | 77.5 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -100.1 | -8.6 | -172 | -65.8 | -65.8 | 0 | 0 | 0 | 115.3 | L1493 L1496 W1497 C1527 | L1493-F1531 HydrophobicContact CB-CE1 4.1Å; L1493-F1531 HydrophobicContact CD2-CD1 4.17Å; L1493-F1531 HydrophobicContact CD2-CE1 3.77Å; L1493-F1531 HydrophobicContact CD2-CZ 4.17Å; L1493-F1531 HydrophobicContact CG-CE1 4.49Å; L1496-F1531 HydrophobicContact CD2-CE2 3.92Å; L1496-F1531 HydrophobicContact CD2-CZ 3.94Å; W1497-F1531 AromaticContact CD1-CD1 3.83Å; W1497-F1531 AromaticContact CD1-CE1 3.04Å; W1497-F1531 AromaticContact CD1-CZ 3.3Å; W1497-F1531 HydrophobicContact CD2-CE1 4.5Å; W1497-F1531 HydrophobicContact CD2-CZ 4.09Å; W1497-F1531 AromaticContact CE2-CE1 3.91Å; W1497-F1531 AromaticContact CE2-CE2 3.9Å; W1497-F1531 AromaticContact CE2-CZ 3.68Å; W1497-F1531 HydrophobicContact CG-CE1 4.01Å; W1497-F1531 AromaticContact CG-CZ 3.84Å; W1497-F1531 HydrophobicContact CG-CZ 3.84Å; W1497-F1531 HydrophobicContact CZ2-CD2 4.32Å; W1497-F1531 HydrophobicContact CZ2-CE2 4.18Å; W1497-F1531 HydrophobicContact CZ2-CZ 4.42Å; W1497-F1531 AromaticContact NE1-CD1 3.31Å; W1497-F1531 VanDerWaalsContact NE1-CD1 3.31Å; W1497-F1531 AromaticContact NE1-CE1 2.95Å; W1497-F1531 AromaticContact NE1-CE2 3.75Å; W1497-F1531 AromaticContact NE1-CG 3.87Å; W1497-F1531 AromaticContact NE1-CZ 3.18Å; C1527-F1531 HydrophobicContact CB-CD2 4.12Å; C1527-F1531 WeakPolarHBondContact O-CB 3.34Å; C1527-F1531 WeakPolarHBondContact O-CD2 3.14Å; C1527-F1531 PolarHBondContact O-N 2.72Å |
| 1532 | N | 54 | Low | 63.5 | Low | 106 Ų | 106 | 77 Ų | 77 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 59.1 | -167.5 | 177 | -132 | -16.2 | 0 | 0 | 0 | 113.5 | I1528 N1534 | I1528-N1532 PolarHBondContact O-N 3.15Å; I1528-N1532 VanDerWaalsContact O-N 3.13Å; N1532-N1534 PolarHBondContact O-N 2.71Å |
| 1533 | K | 51.2 | Low | 62.6 | Low | 197 Ų | 197 | 80 Ų | 80 | 86% | 0.857 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -66.6 | 3.9 | -173.7 | -75.3 | -175 | 179.5 | 176.5 | 0 | 117.1 | ||
| 1534 | N | 54.5 | Low | 61.6 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -97.1 | 12 | -169.3 | -73.2 | -15.7 | 0 | 0 | 0 | 115.3 | N1532 S1536 N1537 Y1538 | N1532-N1534 PolarHBondContact O-N 2.71Å; N1534-S1536 VanDerWaalsContact C-N 3.29Å; N1534-S1536 PolarHBondContact O-N 3.3Å; N1534-N1537 PolarHBondContact O-N 3.38Å; N1534-Y1538 HydrophobicContact CB-CE2 4.03Å; N1534-Y1538 WeakPolarHBondContact O-CD2 3.28Å; N1534-Y1538 WeakPolarHBondContact O-CE2 3.39Å |
| 1535 | L | 55.6 | Low | 61.2 | Low | 53 Ų | 53 | 86 Ų | 86 | 28% | 0.277 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -55.3 | -39.1 | -174.1 | -158.4 | 82.3 | 0 | 0 | 0 | 113.7 | W1497 N1537 Y1538 L1558 | W1497-L1535 HydrophobicContact CH2-CD1 4.5Å; W1497-L1535 HydrophobicContact CZ2-CD1 3.93Å; L1535-N1537 VanDerWaalsContact C-N 3.35Å; L1535-N1537 PolarHBondContact O-N 3.02Å; L1535-Y1538 PolarHBondContact O-N 3.4Å; L1535-L1558 HydrophobicContact CD2-CD2 4.12Å |
| 1536 | S | 56 | Low | 60.9 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -68.6 | -28.6 | -177.2 | 56.9 | 0 | 0 | 0 | 0 | 114 | N1534 Y1538 M1539 | N1534-S1536 VanDerWaalsContact C-N 3.29Å; N1534-S1536 PolarHBondContact O-N 3.3Å; S1536-Y1538 PolarHBondContact O-N 2.77Å; S1536-M1539 PolarHBondContact O-N 2.88Å |
| 1537 | N | 56.6 | Low | 60.8 | Low | 126 Ų | 126 | 88.3 Ų | 88.3 | 67% | 0.674 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -70.7 | -15.9 | -177.6 | -69.6 | -8.2 | 0 | 0 | 0 | 112.5 | N1534 L1535 | N1534-N1537 PolarHBondContact O-N 3.38Å; L1535-N1537 VanDerWaalsContact C-N 3.35Å; L1535-N1537 PolarHBondContact O-N 3.02Å |
| 1538 | Y | 55.6 | Low | 60.9 | Low | 174 Ų | 174 | 87.5 Ų | 87.5 | 68% | 0.682 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -92.3 | 1.3 | 177.2 | -59.9 | -81.2 | 0 | 0 | 0 | 113 | N1534 L1535 S1536 | N1534-Y1538 HydrophobicContact CB-CE2 4.03Å; N1534-Y1538 WeakPolarHBondContact O-CD2 3.28Å; N1534-Y1538 WeakPolarHBondContact O-CE2 3.39Å; L1535-Y1538 PolarHBondContact O-N 3.4Å; S1536-Y1538 PolarHBondContact O-N 2.77Å |
| 1539 | M | 58.7 | Low | 61 | Low | 49 Ų | 49 | 85.9 Ų | 85.9 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | trans | -93.6 | 126.3 | -179.4 | -90 | -172.2 | 53.9 | 0 | 0 | 113.7 | S1536 I1541 L1551 F1554 L1558 F1568 | S1536-M1539 PolarHBondContact O-N 2.88Å; M1539-I1541 HydrophobicContact CE-CD1 3.71Å; M1539-I1541 HydrophobicContact CE-CG1 3.74Å; M1539-L1551 HydrophobicContact CE-CD1 4.21Å; M1539-F1554 HydrophobicContact CG-CD1 4.46Å; M1539-F1554 HydrophobicContact SD-CD1 3.87Å; M1539-F1554 HydrophobicContact SD-CE1 4.47Å; M1539-F1554 HydrophobicContact SD-CG 4.45Å; M1539-L1558 HydrophobicContact SD-CD1 4.48Å; M1539-F1568 HydrophobicContact CE-CE2 4.34Å | ||
| 1540 | I | 57.5 | Low | 60.8 | Low | 156 Ų | 156 | 85.8 Ų | 85.8 | 80% | 0.8 | 43% | 0.426 | S | S | * | . | trans | -110.3 | 120.6 | 169.2 | -57.3 | 173.2 | 0 | 0 | 0 | 107.8 | ||||
| 1541 | I | 64.8 | Low | 61.1 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 20% | 0.195 | 42% | 0.42 | C | S | . | . | trans | -110.9 | 122.5 | 175.9 | -56.4 | 172.2 | 0 | 0 | 0 | 108.2 | M1539 L1551 F1568 L1572 Y1575 | M1539-I1541 HydrophobicContact CE-CD1 3.71Å; M1539-I1541 HydrophobicContact CE-CG1 3.74Å; I1541-L1551 HydrophobicContact CD1-CD1 3.96Å; I1541-L1551 HydrophobicContact CG1-CD1 4.18Å; I1541-F1568 HydrophobicContact CD1-CE2 3.78Å; I1541-F1568 HydrophobicContact CD1-CZ 4.42Å; I1541-L1572 HydrophobicContact CD1-CD2 4.25Å; I1541-Y1575 HydrophobicContact CG2-CD2 3.91Å; I1541-Y1575 HydrophobicContact CG2-CG 4.48Å | ||
| 1542 | H | 65.1 | Low | 61.3 | Low | 79 Ų | 79 | 84.3 Ų | 84.3 | 37% | 0.366 | 42% | 0.419 | S | S | . | . | trans | -131.5 | 125.8 | 178.5 | -161.5 | -90.9 | 0 | 0 | 0 | 110 | A1544 E1545 T1546 | H1542-A1544 PolarHBondContact O-N 3.12Å; H1542-A1544 VanDerWaalsContact O-N 3.15Å; H1542-E1545 HydrophobicContact CB-CB 4.25Å; H1542-E1545 HydrophobicContact CB-CG 4.45Å; H1542-E1545 PolarHBondContact O-N 3.22Å; H1542-E1545 VanDerWaalsContact O-N 3.12Å; H1542-T1546 PolarHBondContact N-OG1 3.16Å; H1542-T1546 WeakPolarHBondContact O-CB 3.42Å; H1542-T1546 PolarHBondContact O-N 2.9Å; H1542-T1546 PolarHBondContact O-OG1 3.06Å; H1542-T1546 VanDerWaalsContact O-OG1 3.09Å | ||
| 1543 | Y | 59.2 | Low | 61.7 | Low | 110 Ų | 110 | 82.5 Ų | 82.5 | 43% | 0.431 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -25.6 | -172 | 63.6 | -96.5 | 0 | 0 | 0 | 114.1 | N1578 | Y1543-N1578 HydrophobicContact CD2-CB 4.38Å; Y1543-N1578 HydrophobicContact CG-CB 4.23Å |
| 1544 | A | 58.7 | Low | 62.3 | Low | 52 Ų | 52 | 75.6 Ų | 75.6 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -20.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1542 | H1542-A1544 PolarHBondContact O-N 3.12Å; H1542-A1544 VanDerWaalsContact O-N 3.15Å |
| 1545 | E | 62 | Low | 62.9 | Low | 156 Ų | 156 | 71.8 Ų | 71.8 | 73% | 0.729 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -30 | -170.5 | -59.3 | -178.9 | 169.3 | 0 | 0 | 113.3 | H1542 E1547 | H1542-E1545 HydrophobicContact CB-CB 4.25Å; H1542-E1545 HydrophobicContact CB-CG 4.45Å; H1542-E1545 PolarHBondContact O-N 3.22Å; H1542-E1545 VanDerWaalsContact O-N 3.12Å; E1545-E1547 PolarHBondContact O-N 2.7Å |
| 1546 | T | 65.7 | Low | 63.3 | Low | 26 Ų | 26 | 73.9 Ų | 73.9 | 16% | 0.16 | 37% | 0.366 | C | S | . | . | trans | -83 | 112.1 | -174.7 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | H1542 L1551 Y1575 | H1542-T1546 PolarHBondContact N-OG1 3.16Å; H1542-T1546 WeakPolarHBondContact O-CB 3.42Å; H1542-T1546 PolarHBondContact O-N 2.9Å; H1542-T1546 PolarHBondContact O-OG1 3.06Å; H1542-T1546 VanDerWaalsContact O-OG1 3.09Å; T1546-L1551 HydrophobicContact CG2-CB 4.1Å; T1546-Y1575 PolarHBondContact O-OH 2.88Å | ||
| 1547 | E | 71.9 | Confident | 63.3 | Low | 121 Ų | 121 | 73.2 Ų | 73.2 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | trans | -62.7 | 133.2 | 172.5 | -95.2 | -162.4 | 163 | 0 | 0 | 111.7 | E1545 I1549 L1550 L1551 | E1545-E1547 PolarHBondContact O-N 2.7Å; E1547-I1549 VanDerWaalsContact C-N 3.3Å; E1547-I1549 PolarHBondContact O-N 2.89Å; E1547-L1550 HydrophobicContact CB-CB 4.21Å; E1547-L1550 PolarHBondContact O-N 3.35Å; E1547-L1550 VanDerWaalsContact O-N 3.08Å; E1547-L1551 PolarHBondContact O-N 3.47Å; E1547-L1551 VanDerWaalsContact O-N 3.11Å | ||
| 1548 | P | 72.3 | Confident | 63.6 | Low | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.1 | -38.4 | -179 | -28.7 | 35.2 | 0 | 0 | 0 | 114.6 | L1551 L1552 Y1575 W1579 L1604 Y1608 V1611 | P1548-L1551 PolarHBondContact O-N 3.47Å; P1548-L1552 PolarHBondContact O-N 3.38Å; P1548-Y1575 WeakPolarHBondContact CD-OH 3.39Å; P1548-Y1575 WeakPolarHBondContact CG-OH 3.48Å; P1548-W1579 HydrophobicContact CG-CZ2 3.77Å; P1548-L1604 HydrophobicContact CB-CD1 3.87Å; P1548-L1604 HydrophobicContact CG-CD1 3.62Å; P1548-Y1608 HydrophobicContact CB-CD1 4.22Å; P1548-Y1608 HydrophobicContact CB-CD2 3.65Å; P1548-Y1608 HydrophobicContact CB-CE2 4Å; P1548-Y1608 HydrophobicContact CB-CG 3.76Å; P1548-Y1608 HydrophobicContact CG-CD2 3.61Å; P1548-Y1608 HydrophobicContact CG-CE2 3.61Å; P1548-Y1608 HydrophobicContact CG-CG 4.24Å; P1548-V1611 HydrophobicContact CB-CG2 3.9Å; P1548-V1611 WeakPolarHBondContact O-CG2 3.48Å |
| 1549 | I | 65.1 | Low | 63.5 | Low | 58 Ų | 58 | 66.7 Ų | 66.7 | 30% | 0.297 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 179.4 | -68.9 | 169.4 | 0 | 0 | 0 | 111 | E1547 R1553 Y1608 | E1547-I1549 VanDerWaalsContact C-N 3.3Å; E1547-I1549 PolarHBondContact O-N 2.89Å; I1549-R1553 VanDerWaalsContact O-CG 3.31Å; I1549-R1553 WeakPolarHBondContact O-CG 3.41Å; I1549-R1553 PolarHBondContact O-N 3.17Å; I1549-Y1608 HydrophobicContact CD1-CD1 4.35Å; I1549-Y1608 HydrophobicContact CD1-CE1 3.73Å; I1549-Y1608 HydrophobicContact CG1-CD1 3.94Å; I1549-Y1608 HydrophobicContact CG1-CE1 3.73Å |
| 1550 | L | 64.7 | Low | 63 | Low | 94 Ų | 94 | 67 Ų | 67 | 49% | 0.492 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.8 | -41 | 179.8 | -145.1 | 112.2 | 0 | 0 | 0 | 110.4 | E1547 R1553 F1554 | E1547-L1550 HydrophobicContact CB-CB 4.21Å; E1547-L1550 PolarHBondContact O-N 3.35Å; E1547-L1550 VanDerWaalsContact O-N 3.08Å; L1550-R1553 PolarHBondContact O-N 3.39Å; L1550-F1554 PolarHBondContact O-N 3.13Å |
| 1551 | L | 71.7 | Confident | 62.6 | Low | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 175 | -175.7 | 62.3 | 0 | 0 | 0 | 111.8 | M1539 I1541 T1546 E1547 P1548 R1553 F1554 L1555 L1572 Y1575 F1615 | M1539-L1551 HydrophobicContact CE-CD1 4.21Å; I1541-L1551 HydrophobicContact CD1-CD1 3.96Å; I1541-L1551 HydrophobicContact CG1-CD1 4.18Å; T1546-L1551 HydrophobicContact CG2-CB 4.1Å; E1547-L1551 PolarHBondContact O-N 3.47Å; E1547-L1551 VanDerWaalsContact O-N 3.11Å; P1548-L1551 PolarHBondContact O-N 3.47Å; L1551-R1553 VanDerWaalsContact C-N 3.31Å; L1551-R1553 PolarHBondContact O-N 3.22Å; L1551-F1554 WeakPolarHBondContact O-CB 3.27Å; L1551-F1554 PolarHBondContact O-N 2.91Å; L1551-F1554 VanDerWaalsContact O-N 3.15Å; L1551-L1555 HydrophobicContact CD1-CG 4.41Å; L1551-L1555 HydrophobicContact CG-CD1 4.14Å; L1551-L1555 HydrophobicContact CG-CG 4.39Å; L1551-L1555 WeakPolarHBondContact O-CG 3.37Å; L1551-L1555 PolarHBondContact O-N 2.91Å; L1551-L1572 HydrophobicContact CD2-CD2 4.26Å; L1551-Y1575 HydrophobicContact CD2-CD1 4.16Å; L1551-Y1575 HydrophobicContact CD2-CE1 3.98Å; L1551-F1615 HydrophobicContact CD2-CE1 3.97Å; L1551-F1615 HydrophobicContact CD2-CZ 3.84Å |
| 1552 | L | 66.5 | Low | 61.9 | Low | 25 Ų | 25 | 67.3 Ų | 67.3 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 177.9 | 176.1 | 64.3 | 0 | 0 | 0 | 112.2 | P1548 F1554 L1555 N1556 H1610 V1611 C1614 | P1548-L1552 PolarHBondContact O-N 3.38Å; L1552-F1554 VanDerWaalsContact C-N 3.26Å; L1552-F1554 PolarHBondContact O-N 3.06Å; L1552-L1555 PolarHBondContact O-N 3.39Å; L1552-N1556 PolarHBondContact O-N 3.24Å; L1552-N1556 PolarHBondContact O-ND2 3.18Å; L1552-H1610 HydrophobicContact CD2-CB 3.89Å; L1552-H1610 VanDerWaalsContact CD2-CD2 3.43Å; L1552-H1610 WeakPolarHBondContact CD2-CD2 3.37Å; L1552-V1611 HydrophobicContact CB-CG2 4.07Å; L1552-C1614 HydrophobicContact CD1-CB 3.46Å; L1552-C1614 VanDerWaalsContact CD1-CB 3.46Å |
| 1553 | R | 61.2 | Low | 61.2 | Low | 68 Ų | 68 | 71.8 Ų | 71.8 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | -179.9 | -72.1 | 171.5 | 177.8 | 172.9 | 10.9 | 111.9 | F1508 I1549 L1550 L1551 | F1508-R1553 WeakPolarHBondContact O-CD 3.45Å; F1508-R1553 PolarHBondContact O-NE 3.16Å; F1508-R1553 PolarHBondContact O-NH1 2.87Å; I1549-R1553 VanDerWaalsContact O-CG 3.31Å; I1549-R1553 WeakPolarHBondContact O-CG 3.41Å; I1549-R1553 PolarHBondContact O-N 3.17Å; L1550-R1553 PolarHBondContact O-N 3.39Å; L1551-R1553 VanDerWaalsContact C-N 3.31Å; L1551-R1553 PolarHBondContact O-N 3.22Å |
| 1554 | F | 64.8 | Low | 61.3 | Low | 51 Ų | 51 | 68.9 Ų | 68.9 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.8 | -45.2 | 173.6 | -109.1 | -83.3 | 0 | 0 | 0 | 112.8 | M1539 L1550 L1551 L1552 N1556 L1557 L1558 | M1539-F1554 HydrophobicContact CG-CD1 4.46Å; M1539-F1554 HydrophobicContact SD-CD1 3.87Å; M1539-F1554 HydrophobicContact SD-CE1 4.47Å; M1539-F1554 HydrophobicContact SD-CG 4.45Å; L1550-F1554 PolarHBondContact O-N 3.13Å; L1551-F1554 WeakPolarHBondContact O-CB 3.27Å; L1551-F1554 PolarHBondContact O-N 2.91Å; L1551-F1554 VanDerWaalsContact O-N 3.15Å; L1552-F1554 VanDerWaalsContact C-N 3.26Å; L1552-F1554 PolarHBondContact O-N 3.06Å; F1554-N1556 PolarHBondContact O-N 3.37Å; F1554-L1557 WeakPolarHBondContact O-CB 3.41Å; F1554-L1557 PolarHBondContact O-N 3.1Å; F1554-L1558 PolarHBondContact O-N 2.93Å |
| 1555 | L | 66.9 | Low | 61.5 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.8 | -35.6 | 177.7 | -69.1 | 175.7 | 0 | 0 | 0 | 111.6 | L1551 L1552 L1557 L1558 F1568 F1615 F1618 | L1551-L1555 HydrophobicContact CD1-CG 4.41Å; L1551-L1555 HydrophobicContact CG-CD1 4.14Å; L1551-L1555 HydrophobicContact CG-CG 4.39Å; L1551-L1555 WeakPolarHBondContact O-CG 3.37Å; L1551-L1555 PolarHBondContact O-N 2.91Å; L1552-L1555 PolarHBondContact O-N 3.39Å; L1555-L1557 VanDerWaalsContact C-N 3.29Å; L1555-L1557 PolarHBondContact O-N 2.99Å; L1555-L1558 HydrophobicContact CD2-CD1 4.38Å; L1555-L1558 PolarHBondContact O-N 3.39Å; L1555-F1568 HydrophobicContact CD2-CE1 4.02Å; L1555-F1568 HydrophobicContact CD2-CZ 3.68Å; L1555-F1615 HydrophobicContact CD1-CD1 3.99Å; L1555-F1615 HydrophobicContact CD1-CE1 3.75Å; L1555-F1618 HydrophobicContact CB-CE2 4.15Å; L1555-F1618 HydrophobicContact CD1-CE2 4.42Å; L1555-F1618 HydrophobicContact CD2-CE2 3.84Å; L1555-F1618 HydrophobicContact CD2-CZ 3.91Å; L1555-F1618 HydrophobicContact CG-CE2 4.35Å |
| 1556 | N | 63.9 | Low | 61.8 | Low | 98 Ų | 98 | 65.4 Ų | 65.4 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.9 | 175.4 | -71.8 | -20.6 | 0 | 0 | 0 | 114.4 | L1552 F1554 | L1552-N1556 PolarHBondContact O-N 3.24Å; L1552-N1556 PolarHBondContact O-ND2 3.18Å; F1554-N1556 PolarHBondContact O-N 3.37Å |
| 1557 | L | 57.3 | Low | 62.1 | Low | 45 Ų | 45 | 70.3 Ų | 70.3 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -28 | 174.8 | -71.8 | 167.6 | 0 | 0 | 0 | 112.4 | F1508 R1524 F1554 L1555 | F1508-L1557 HydrophobicContact CD1-CD1 4.3Å; F1508-L1557 HydrophobicContact CE1-CD1 3.66Å; F1508-L1557 HydrophobicContact CZ-CD1 4.09Å; R1524-L1557 HydrophobicContact CG-CD2 4.45Å; R1524-L1557 VanDerWaalsContact CZ-O 3.3Å; R1524-L1557 PolarHBondContact NE-O 3.38Å; R1524-L1557 PolarHBondContact NH2-O 3.02Å; F1554-L1557 WeakPolarHBondContact O-CB 3.41Å; F1554-L1557 PolarHBondContact O-N 3.1Å; L1555-L1557 VanDerWaalsContact C-N 3.29Å; L1555-L1557 PolarHBondContact O-N 2.99Å |
| 1558 | L | 61.5 | Low | 62.3 | Low | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -73 | 138.6 | 178.3 | -65.4 | 172.1 | 0 | 0 | 0 | 110 | L1535 M1539 F1554 L1555 F1564 F1568 | L1535-L1558 HydrophobicContact CD2-CD2 4.12Å; M1539-L1558 HydrophobicContact SD-CD1 4.48Å; F1554-L1558 PolarHBondContact O-N 2.93Å; L1555-L1558 HydrophobicContact CD2-CD1 4.38Å; L1555-L1558 PolarHBondContact O-N 3.39Å; L1558-F1564 HydrophobicContact CB-CE1 4.16Å; L1558-F1564 HydrophobicContact CB-CZ 3.85Å; L1558-F1564 HydrophobicContact CD1-CE1 4.05Å; L1558-F1564 HydrophobicContact CD2-CE1 4.43Å; L1558-F1564 HydrophobicContact CG-CE1 4.45Å; L1558-F1568 HydrophobicContact CD1-CZ 4.44Å |
| 1559 | K | 53.8 | Low | 62.4 | Low | 140 Ų | 140 | 65.9 Ų | 65.9 | 61% | 0.609 | 34% | 0.337 | S | S | * | . | trans | -82.1 | 127.9 | 177.4 | -117.7 | -179.7 | -179.5 | 177.9 | 0 | 108.4 | N1561 S1562 F1564 | K1559-N1561 PolarHBondContact O-N 3.2Å; K1559-S1562 PolarHBondContact O-N 3.31Å; K1559-S1562 PolarHBondContact O-OG 2.95Å; K1559-F1564 VanDerWaalsContact O-CE2 3.24Å; K1559-F1564 WeakPolarHBondContact O-CE2 3.4Å; K1559-F1564 VanDerWaalsContact O-CZ 3.31Å; K1559-F1564 WeakPolarHBondContact O-CZ 3.48Å | ||
| 1560 | M | 48.6 | Very low | 63.1 | Low | 54 Ų | 54 | 63.8 Ų | 63.8 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21 | 174 | -78 | -68.8 | 176.7 | 0 | 0 | 114.3 | E1617 F1618 L1621 | M1560-E1617 HydrophobicContact CE-CB 3.27Å; M1560-E1617 HydrophobicContact CE-CG 4.24Å; M1560-E1617 WeakPolarHBondContact CE-OE2 3.43Å; M1560-E1617 HydrophobicContact SD-CB 4.26Å; M1560-F1618 HydrophobicContact CE-CD1 4.41Å; M1560-F1618 HydrophobicContact CE-CD2 3.54Å; M1560-F1618 HydrophobicContact CE-CE1 4.23Å; M1560-F1618 HydrophobicContact CE-CE2 3.29Å; M1560-F1618 HydrophobicContact CE-CG 4.09Å; M1560-F1618 HydrophobicContact CE-CZ 3.68Å; M1560-F1618 HydrophobicContact SD-CD1 4.27Å; M1560-F1618 HydrophobicContact SD-CD2 4.4Å; M1560-F1618 HydrophobicContact SD-CE1 4.11Å; M1560-F1618 HydrophobicContact SD-CE2 4.22Å; M1560-F1618 HydrophobicContact SD-CG 4.41Å; M1560-F1618 HydrophobicContact SD-CZ 4.07Å; M1560-L1621 HydrophobicContact CB-CD1 4.5Å; M1560-L1621 HydrophobicContact SD-CD1 3.59Å; M1560-L1621 VanDerWaalsContact SD-CD1 3.59Å |
| 1561 | N | 48.6 | Very low | 63.8 | Low | 150 Ų | 150 | 65 Ų | 65 | 80% | 0.802 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.5 | 178 | -65.5 | 0.1 | 0 | 0 | 0 | 114 | K1559 | K1559-N1561 PolarHBondContact O-N 3.2Š|
| 1562 | S | 49.9 | Very low | 64.3 | Low | 51 Ų | 51 | 64.9 Ų | 64.9 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -76.3 | 135.1 | 167.6 | 42.5 | 0 | 0 | 0 | 0 | 109.4 | K1559 F1564 | K1559-S1562 PolarHBondContact O-N 3.31Å; K1559-S1562 PolarHBondContact O-OG 2.95Å; S1562-F1564 VanDerWaalsContact C-N 3.33Å; S1562-F1564 WeakPolarHBondContact O-CD2 3.38Å; S1562-F1564 VanDerWaalsContact O-CE2 3.28Å; S1562-F1564 WeakPolarHBondContact O-CE2 3.5Å; S1562-F1564 PolarHBondContact O-N 3.44Å; S1562-F1564 WeakPolarHBondContact OG-CE1 3.5Å; S1562-F1564 VanDerWaalsContact OG-CE2 3.3Å; S1562-F1564 WeakPolarHBondContact OG-CE2 3.39Å; S1562-F1564 WeakPolarHBondContact OG-CZ 3.37Å |
| 1563 | N | 51.4 | Low | 64.9 | Low | 173 Ų | 173 | 63.9 Ų | 63.9 | 93% | 0.925 | 32% | 0.321 | S | S | * | . | trans | -61.3 | 94.6 | 172 | -73.5 | -12.8 | 0 | 0 | 0 | 109 | ||||
| 1564 | F | 60.1 | Low | 65.9 | Low | 49 Ų | 49 | 63.8 Ų | 63.8 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | trans | -78.2 | 147.5 | 167.6 | -58.5 | -76.1 | 0 | 0 | 0 | 109 | L1558 K1559 S1562 F1568 F1618 | L1558-F1564 HydrophobicContact CB-CE1 4.16Å; L1558-F1564 HydrophobicContact CB-CZ 3.85Å; L1558-F1564 HydrophobicContact CD1-CE1 4.05Å; L1558-F1564 HydrophobicContact CD2-CE1 4.43Å; L1558-F1564 HydrophobicContact CG-CE1 4.45Å; K1559-F1564 VanDerWaalsContact O-CE2 3.24Å; K1559-F1564 WeakPolarHBondContact O-CE2 3.4Å; K1559-F1564 VanDerWaalsContact O-CZ 3.31Å; K1559-F1564 WeakPolarHBondContact O-CZ 3.48Å; S1562-F1564 VanDerWaalsContact C-N 3.33Å; S1562-F1564 WeakPolarHBondContact O-CD2 3.38Å; S1562-F1564 VanDerWaalsContact O-CE2 3.28Å; S1562-F1564 WeakPolarHBondContact O-CE2 3.5Å; S1562-F1564 PolarHBondContact O-N 3.44Å; S1562-F1564 WeakPolarHBondContact OG-CE1 3.5Å; S1562-F1564 VanDerWaalsContact OG-CE2 3.3Å; S1562-F1564 WeakPolarHBondContact OG-CE2 3.39Å; S1562-F1564 WeakPolarHBondContact OG-CZ 3.37Å; F1564-F1568 HydrophobicContact CB-CD1 4.38Å; F1564-F1568 HydrophobicContact CD1-CD1 4.24Å; F1564-F1568 HydrophobicContact CD1-CE1 4.43Å; F1564-F1568 HydrophobicContact CG-CD1 4.47Å; F1564-F1618 HydrophobicContact CD1-CE1 4.35Å; F1564-F1618 HydrophobicContact CD2-CD1 4.1Å; F1564-F1618 AromaticContact CD2-CE1 3.7Å; F1564-F1618 HydrophobicContact CD2-CE1 3.7Å; F1564-F1618 HydrophobicContact CE1-CE1 4.22Å; F1564-F1618 HydrophobicContact CE2-CD1 4.35Å; F1564-F1618 AromaticContact CE2-CE1 3.55Å; F1564-F1618 HydrophobicContact CE2-CE1 3.55Å; F1564-F1618 HydrophobicContact CE2-CZ 4.38Å; F1564-F1618 HydrophobicContact CG-CD1 4.46Å; F1564-F1618 HydrophobicContact CG-CE1 4.11Å; F1564-F1618 AromaticContact CZ-CE1 3.82Å; F1564-F1618 HydrophobicContact CZ-CE1 3.82Å; F1564-F1618 HydrophobicContact CZ-CZ 4.39Å | ||
| 1565 | S | 64.3 | Low | 66.7 | Low | 62 Ų | 62 | 61.5 Ų | 61.5 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | trans | -77.2 | 147 | 174.3 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | E1567 F1568 T1569 | S1565-E1567 PolarHBondContact O-N 2.93Å; S1565-F1568 WeakPolarHBondContact O-CB 3.38Å; S1565-F1568 PolarHBondContact O-N 2.98Å; S1565-F1568 PolarHBondContact OG-N 3.46Å; S1565-T1569 PolarHBondContact O-N 2.87Å | ||
| 1566 | D | 68.6 | Low | 67.5 | Low | 73 Ų | 73 | 61.3 Ų | 61.3 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -51.4 | -29.1 | 169 | -68.3 | -15 | 0 | 0 | 0 | 111.7 | T1569 L1570 F1628 | D1566-T1569 PolarHBondContact O-N 3.29Å; D1566-L1570 WeakPolarHBondContact O-CG 3.31Å; D1566-L1570 PolarHBondContact O-N 3.5Å; D1566-F1628 HydrophobicContact CB-CD2 4.43Å |
| 1567 | E | 70.8 | Confident | 68.2 | Low | 130 Ų | 130 | 58.4 Ų | 58.4 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.4 | -35.5 | 177.1 | -162.6 | 173.2 | -164.5 | 0 | 0 | 113.2 | S1565 K1571 | S1565-E1567 PolarHBondContact O-N 2.93Å; E1567-K1571 WeakPolarHBondContact O-CG 3.49Å; E1567-K1571 PolarHBondContact O-N 3.27Å; E1567-K1571 VanDerWaalsContact O-N 3.08Å |
| 1568 | F | 75.9 | Confident | 69.3 | Low | 29 Ų | 29 | 59.7 Ų | 59.7 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 171.5 | -178.5 | -105.5 | 0 | 0 | 0 | 110.7 | M1539 I1541 L1555 L1558 F1564 S1565 L1570 K1571 L1572 F1618 | M1539-F1568 HydrophobicContact CE-CE2 4.34Å; I1541-F1568 HydrophobicContact CD1-CE2 3.78Å; I1541-F1568 HydrophobicContact CD1-CZ 4.42Å; L1555-F1568 HydrophobicContact CD2-CE1 4.02Å; L1555-F1568 HydrophobicContact CD2-CZ 3.68Å; L1558-F1568 HydrophobicContact CD1-CZ 4.44Å; F1564-F1568 HydrophobicContact CB-CD1 4.38Å; F1564-F1568 HydrophobicContact CD1-CD1 4.24Å; F1564-F1568 HydrophobicContact CD1-CE1 4.43Å; F1564-F1568 HydrophobicContact CG-CD1 4.47Å; S1565-F1568 WeakPolarHBondContact O-CB 3.38Å; S1565-F1568 PolarHBondContact O-N 2.98Å; S1565-F1568 PolarHBondContact OG-N 3.46Å; F1568-L1570 PolarHBondContact O-N 3.06Å; F1568-K1571 WeakPolarHBondContact O-CB 3.32Å; F1568-K1571 PolarHBondContact O-N 2.98Å; F1568-L1572 HydrophobicContact CD1-CD1 4.11Å; F1568-L1572 HydrophobicContact CE1-CD1 3.72Å; F1568-L1572 HydrophobicContact CE1-CG 4.34Å; F1568-L1572 HydrophobicContact CZ-CD1 4.28Å; F1568-L1572 PolarHBondContact O-N 3.49Å; F1568-L1572 VanDerWaalsContact O-N 3.12Å; F1568-F1618 HydrophobicContact CD1-CD1 4.43Å; F1568-F1618 HydrophobicContact CE1-CD1 4.13Å; F1568-F1618 AromaticContact CE1-CE1 3.95Å; F1568-F1618 HydrophobicContact CE1-CE1 3.95Å; F1568-F1618 HydrophobicContact CE1-CZ 4.48Å |
| 1569 | T | 75.7 | Confident | 70.1 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.5 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | S1565 D1566 K1571 L1572 I1573 F1619 S1622 F1628 | S1565-T1569 PolarHBondContact O-N 2.87Å; D1566-T1569 PolarHBondContact O-N 3.29Å; T1569-K1571 PolarHBondContact O-N 3.05Å; T1569-L1572 WeakPolarHBondContact O-CB 3.47Å; T1569-L1572 PolarHBondContact O-N 2.85Å; T1569-L1572 VanDerWaalsContact O-N 3.14Å; T1569-I1573 PolarHBondContact O-N 3.15Å; T1569-F1619 HydrophobicContact CG2-CD1 3.42Å; T1569-F1619 VanDerWaalsContact CG2-CD1 3.42Å; T1569-F1619 HydrophobicContact CG2-CE1 3.68Å; T1569-S1622 WeakPolarHBondContact CG2-OG 3.39Å; T1569-S1622 PolarHBondContact OG1-OG 3.07Å; T1569-F1628 HydrophobicContact CG2-CE2 4.06Å; T1569-F1628 HydrophobicContact CG2-CZ 3.73Å |
| 1570 | L | 79.2 | Confident | 70.6 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 175.4 | -71.7 | 170 | 0 | 0 | 0 | 112.3 | D1566 F1568 L1572 I1573 D1574 F1628 F1636 | D1566-L1570 WeakPolarHBondContact O-CG 3.31Å; D1566-L1570 PolarHBondContact O-N 3.5Å; F1568-L1570 PolarHBondContact O-N 3.06Å; L1570-L1572 VanDerWaalsContact C-N 3.27Å; L1570-L1572 PolarHBondContact O-N 3.1Å; L1570-I1573 HydrophobicContact CD2-CD1 4.45Å; L1570-I1573 PolarHBondContact O-N 3.47Å; L1570-I1573 VanDerWaalsContact O-N 3.16Å; L1570-D1574 PolarHBondContact O-N 2.98Å; L1570-F1628 HydrophobicContact CD2-CE2 4.07Å; L1570-F1628 HydrophobicContact CG-CE2 4.19Å; L1570-F1636 HydrophobicContact CD2-CE2 4.19Å |
| 1571 | K | 79.1 | Confident | 71 | Confident | 120 Ų | 120 | 61.8 Ų | 61.8 | 52% | 0.522 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.1 | -34.8 | 172.4 | -75 | 177.4 | -178.2 | 179.6 | 0 | 112.5 | E1567 F1568 T1569 Y1575 | E1567-K1571 WeakPolarHBondContact O-CG 3.49Å; E1567-K1571 PolarHBondContact O-N 3.27Å; E1567-K1571 VanDerWaalsContact O-N 3.08Å; F1568-K1571 WeakPolarHBondContact O-CB 3.32Å; F1568-K1571 PolarHBondContact O-N 2.98Å; T1569-K1571 PolarHBondContact O-N 3.05Å; K1571-Y1575 WeakPolarHBondContact O-CB 3.43Å; K1571-Y1575 PolarHBondContact O-N 2.98Å |
| 1572 | L | 82.1 | Confident | 71 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 173.7 | -64.8 | 176 | 0 | 0 | 0 | 112.2 | I1541 L1551 F1568 T1569 L1570 W1576 F1615 F1618 | I1541-L1572 HydrophobicContact CD1-CD2 4.25Å; L1551-L1572 HydrophobicContact CD2-CD2 4.26Å; F1568-L1572 HydrophobicContact CD1-CD1 4.11Å; F1568-L1572 HydrophobicContact CE1-CD1 3.72Å; F1568-L1572 HydrophobicContact CE1-CG 4.34Å; F1568-L1572 HydrophobicContact CZ-CD1 4.28Å; F1568-L1572 PolarHBondContact O-N 3.49Å; F1568-L1572 VanDerWaalsContact O-N 3.12Å; T1569-L1572 WeakPolarHBondContact O-CB 3.47Å; T1569-L1572 PolarHBondContact O-N 2.85Å; T1569-L1572 VanDerWaalsContact O-N 3.14Å; L1570-L1572 VanDerWaalsContact C-N 3.27Å; L1570-L1572 PolarHBondContact O-N 3.1Å; L1572-W1576 WeakPolarHBondContact O-CB 3.38Å; L1572-W1576 PolarHBondContact O-N 3.49Å; L1572-F1615 HydrophobicContact CD1-CD1 4.49Å; L1572-F1615 HydrophobicContact CD2-CD1 4.41Å; L1572-F1615 HydrophobicContact CD2-CE1 3.78Å; L1572-F1615 HydrophobicContact CD2-CZ 3.99Å; L1572-F1618 HydrophobicContact CD1-CB 4.26Å; L1572-F1618 HydrophobicContact CD1-CD2 4.46Å; L1572-F1618 HydrophobicContact CD1-CG 4.26Å |
| 1573 | I | 80.4 | Confident | 70.8 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 172.8 | -59.8 | -179.5 | 0 | 0 | 0 | 110.2 | T1569 L1570 Y1575 W1576 M1577 F1619 F1628 V1632 F1636 | T1569-I1573 PolarHBondContact O-N 3.15Å; L1570-I1573 HydrophobicContact CD2-CD1 4.45Å; L1570-I1573 PolarHBondContact O-N 3.47Å; L1570-I1573 VanDerWaalsContact O-N 3.16Å; I1573-Y1575 PolarHBondContact O-N 3.19Å; I1573-W1576 WeakPolarHBondContact O-CB 3.29Å; I1573-W1576 PolarHBondContact O-N 2.95Å; I1573-W1576 VanDerWaalsContact O-N 3.16Å; I1573-M1577 HydrophobicContact CG2-CG 4.1Å; I1573-M1577 WeakPolarHBondContact O-CB 3.38Å; I1573-M1577 WeakPolarHBondContact O-CG 3.36Å; I1573-M1577 PolarHBondContact O-N 2.98Å; I1573-F1619 HydrophobicContact CB-CE1 4.49Å; I1573-F1619 HydrophobicContact CD1-CD1 4.35Å; I1573-F1619 HydrophobicContact CD1-CE1 3.88Å; I1573-F1619 HydrophobicContact CD1-CZ 4.48Å; I1573-F1619 HydrophobicContact CG1-CD1 4.14Å; I1573-F1619 HydrophobicContact CG1-CE1 3.21Å; I1573-F1619 HydrophobicContact CG1-CZ 3.54Å; I1573-F1628 HydrophobicContact CD1-CE1 4.47Å; I1573-F1628 HydrophobicContact CD1-CZ 3.85Å; I1573-V1632 HydrophobicContact CD1-CG2 4.04Å; I1573-F1636 HydrophobicContact CB-CE1 4.48Å; I1573-F1636 HydrophobicContact CB-CE2 4.12Å; I1573-F1636 HydrophobicContact CB-CZ 3.91Å; I1573-F1636 HydrophobicContact CG2-CD1 3.99Å; I1573-F1636 HydrophobicContact CG2-CD2 3.92Å; I1573-F1636 HydrophobicContact CG2-CE1 3.66Å; I1573-F1636 HydrophobicContact CG2-CE2 3.59Å; I1573-F1636 HydrophobicContact CG2-CG 4.11Å; I1573-F1636 HydrophobicContact CG2-CZ 3.44Å; I1573-F1636 VanDerWaalsContact CG2-CZ 3.44Å |
| 1574 | D | 81 | Confident | 70.1 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 179.3 | -169 | 61.8 | 0 | 0 | 0 | 111.6 | L1570 W1576 M1577 N1578 | L1570-D1574 PolarHBondContact O-N 2.98Å; D1574-W1576 PolarHBondContact O-N 3.42Å; D1574-M1577 PolarHBondContact O-N 3.18Å; D1574-N1578 VanDerWaalsContact CG-ND2 3.3Å; D1574-N1578 WeakPolarHBondContact O-CB 3.47Å; D1574-N1578 PolarHBondContact O-N 2.85Å; D1574-N1578 PolarHBondContact O-ND2 2.93Å; D1574-N1578 PolarHBondContact OD1-ND2 3.33Å; D1574-N1578 PolarHBondContact OD2-ND2 3.39Å |
| 1575 | Y | 82.5 | Confident | 68.8 | Low | 3 Ų | 3 | 70.4 Ų | 70.4 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.7 | -48.9 | 170.5 | -178 | -88 | 0 | 0 | 0 | 111.3 | I1541 T1546 P1548 L1551 K1571 I1573 M1577 W1579 L1604 F1615 | I1541-Y1575 HydrophobicContact CG2-CD2 3.91Å; I1541-Y1575 HydrophobicContact CG2-CG 4.48Å; T1546-Y1575 PolarHBondContact O-OH 2.88Å; P1548-Y1575 WeakPolarHBondContact CD-OH 3.39Å; P1548-Y1575 WeakPolarHBondContact CG-OH 3.48Å; L1551-Y1575 HydrophobicContact CD2-CD1 4.16Å; L1551-Y1575 HydrophobicContact CD2-CE1 3.98Å; K1571-Y1575 WeakPolarHBondContact O-CB 3.43Å; K1571-Y1575 PolarHBondContact O-N 2.98Å; I1573-Y1575 PolarHBondContact O-N 3.19Å; Y1575-M1577 PolarHBondContact O-N 2.97Å; Y1575-W1579 HydrophobicContact CE1-CG 4.42Å; Y1575-W1579 AromaticContact CZ-CD1 3.62Å; Y1575-W1579 WeakPolarHBondContact O-CB 3.23Å; Y1575-W1579 PolarHBondContact O-N 3.38Å; Y1575-L1604 HydrophobicContact CD1-CD2 4.21Å; Y1575-L1604 HydrophobicContact CE1-CD1 4.17Å; Y1575-L1604 HydrophobicContact CE1-CD2 4.04Å; Y1575-F1615 HydrophobicContact CD1-CE2 4.05Å; Y1575-F1615 AromaticContact CD1-CZ 3.81Å; Y1575-F1615 HydrophobicContact CD1-CZ 3.81Å; Y1575-F1615 HydrophobicContact CE1-CZ 4.27Å |
| 1576 | W | 82.9 | Confident | 67.5 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.9 | 177.8 | 32.1 | 0 | 0 | 0 | 112.6 | L1572 I1573 D1574 L1604 E1605 M1612 F1615 F1619 L1641 R1644 V1645 F1670 | L1572-W1576 WeakPolarHBondContact O-CB 3.38Å; L1572-W1576 PolarHBondContact O-N 3.49Å; I1573-W1576 WeakPolarHBondContact O-CB 3.29Å; I1573-W1576 PolarHBondContact O-N 2.95Å; I1573-W1576 VanDerWaalsContact O-N 3.16Å; D1574-W1576 PolarHBondContact O-N 3.42Å; W1576-L1604 HydrophobicContact CB-CD2 4.44Å; W1576-L1604 HydrophobicContact CG-CD2 4.5Å; W1576-E1605 PolarHBondContact NE1-OE2 3.35Å; W1576-M1612 HydrophobicContact CD2-CE 4.33Å; W1576-M1612 HydrophobicContact CD2-SD 4.12Å; W1576-M1612 HydrophobicContact CE3-CE 4.4Å; W1576-M1612 HydrophobicContact CH2-CE 3.48Å; W1576-M1612 VanDerWaalsContact CH2-CE 3.48Å; W1576-M1612 HydrophobicContact CH2-SD 4.48Å; W1576-M1612 HydrophobicContact CZ2-CE 3.35Å; W1576-M1612 HydrophobicContact CZ2-SD 3.96Å; W1576-M1612 HydrophobicContact CZ3-CE 4Å; W1576-F1615 HydrophobicContact CB-CD2 4.13Å; W1576-F1615 HydrophobicContact CB-CE2 3.95Å; W1576-F1619 HydrophobicContact CE3-CE2 4.21Å; W1576-F1619 HydrophobicContact CE3-CZ 4.4Å; W1576-F1619 HydrophobicContact CZ3-CE2 4.42Å; W1576-L1641 HydrophobicContact CE3-CD2 4.03Å; W1576-L1641 HydrophobicContact CH2-CD2 3.82Å; W1576-L1641 HydrophobicContact CZ3-CD2 3.38Å; W1576-R1644 VanDerWaalsContact CD1-NH2 3.29Å; W1576-R1644 HydrophobicContact CZ2-CB 3.9Å; W1576-R1644 VanDerWaalsContact NE1-NH2 3.2Å; W1576-R1644 PolarHBondContact O-NH1 3.24Å; W1576-R1644 PolarHBondContact O-NH2 3.23Å; W1576-V1645 HydrophobicContact CH2-CG2 4.01Å; W1576-F1670 HydrophobicContact CH2-CE1 4.25Å; W1576-F1670 HydrophobicContact CZ3-CE1 4.18Å; W1576-F1670 HydrophobicContact CZ3-CZ 4.36Å |
| 1577 | M | 79.8 | Confident | 65.8 | Low | 36 Ų | 36 | 75.8 Ų | 75.8 | 18% | 0.177 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.7 | -38.9 | -177.2 | -74.2 | -61.4 | -68 | 0 | 0 | 113 | I1573 D1574 Y1575 F1636 I1640 L1641 R1644 | I1573-M1577 HydrophobicContact CG2-CG 4.1Å; I1573-M1577 WeakPolarHBondContact O-CB 3.38Å; I1573-M1577 WeakPolarHBondContact O-CG 3.36Å; I1573-M1577 PolarHBondContact O-N 2.98Å; D1574-M1577 PolarHBondContact O-N 3.18Å; Y1575-M1577 PolarHBondContact O-N 2.97Å; M1577-F1636 HydrophobicContact CB-CE1 4.43Å; M1577-F1636 HydrophobicContact CG-CD1 3.91Å; M1577-F1636 HydrophobicContact CG-CE1 4.11Å; M1577-I1640 HydrophobicContact CE-CG2 3.91Å; M1577-L1641 HydrophobicContact CG-CD2 4.41Å; M1577-L1641 HydrophobicContact SD-CD2 3.66Å; M1577-L1641 HydrophobicContact SD-CG 4.13Å; M1577-R1644 VanDerWaalsContact CA-NH1 3.34Å |
| 1578 | N | 79.9 | Confident | 64 | Low | 72 Ų | 72 | 77.1 Ų | 77.1 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -101.5 | -11.1 | -171.3 | -62.1 | -32.8 | 0 | 0 | 0 | 114.4 | Y1543 D1574 R1580 | Y1543-N1578 HydrophobicContact CD2-CB 4.38Å; Y1543-N1578 HydrophobicContact CG-CB 4.23Å; D1574-N1578 VanDerWaalsContact CG-ND2 3.3Å; D1574-N1578 WeakPolarHBondContact O-CB 3.47Å; D1574-N1578 PolarHBondContact O-N 2.85Å; D1574-N1578 PolarHBondContact O-ND2 2.93Å; D1574-N1578 PolarHBondContact OD1-ND2 3.33Å; D1574-N1578 PolarHBondContact OD2-ND2 3.39Å; N1578-R1580 PolarHBondContact O-N 2.93Å |
| 1579 | W | 78.3 | Confident | 61.8 | Low | 22 Ų | 22 | 84.6 Ų | 84.6 | 8% | 0.083 | 41% | 0.413 | C | S | . | . | trans | -62.4 | 124.4 | 178.6 | -173 | 88.4 | 0 | 0 | 0 | 111.3 | P1548 Y1575 L1604 I1607 Y1608 | P1548-W1579 HydrophobicContact CG-CZ2 3.77Å; Y1575-W1579 HydrophobicContact CE1-CG 4.42Å; Y1575-W1579 AromaticContact CZ-CD1 3.62Å; Y1575-W1579 WeakPolarHBondContact O-CB 3.23Å; Y1575-W1579 PolarHBondContact O-N 3.38Å; W1579-L1604 HydrophobicContact CD2-CB 4.35Å; W1579-L1604 HydrophobicContact CD2-CD1 3.69Å; W1579-L1604 HydrophobicContact CE3-CB 3.81Å; W1579-L1604 HydrophobicContact CE3-CD1 3.84Å; W1579-L1604 HydrophobicContact CE3-CG 4.47Å; W1579-L1604 HydrophobicContact CG-CD1 4.02Å; W1579-L1604 HydrophobicContact CZ3-CB 4.41Å; W1579-L1604 HydrophobicContact CZ3-CD1 4.33Å; W1579-I1607 HydrophobicContact CH2-CD1 3.89Å; W1579-I1607 HydrophobicContact CZ3-CD1 3.97Å; W1579-Y1608 HydrophobicContact CH2-CD2 4.11Å; W1579-Y1608 AromaticContact CH2-CE2 3.71Å; W1579-Y1608 HydrophobicContact CH2-CE2 3.71Å; W1579-Y1608 HydrophobicContact CZ2-CD2 4.31Å; W1579-Y1608 AromaticContact CZ2-CE2 3.78Å; W1579-Y1608 HydrophobicContact CZ2-CE2 3.78Å | ||
| 1580 | R | 63.7 | Low | 59.8 | Low | 204 Ų | 204 | 91.4 Ų | 91.4 | 77% | 0.77 | 45% | 0.449 | S | S | * | . | trans | -128.4 | 138.7 | 173 | -65.1 | -172.6 | -179 | -165.4 | 0.2 | 109 | N1578 L1582 | N1578-R1580 PolarHBondContact O-N 2.93Å; R1580-L1582 PolarHBondContact O-N 2.86Å | ||
| 1581 | S | 56.4 | Low | 57.5 | Low | 35 Ų | 35 | 98.2 Ų | 98.2 | 25% | 0.245 | 48% | 0.48 | C | S | . | . | trans | -61.7 | 120.8 | 168.4 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | T1583 | S1581-T1583 PolarHBondContact O-N 3.44Å; S1581-T1583 PolarHBondContact OG-OG1 3.21Å; S1581-T1583 VanDerWaalsContact OG-OG1 3.13Å | ||
| 1582 | L | 49.9 | Very low | 55.3 | Low | 145 Ų | 145 | 99.3 Ų | 99.3 | 76% | 0.759 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -69.3 | -5.4 | -179.9 | -101.8 | 147.1 | 0 | 0 | 0 | 113.7 | R1580 | R1580-L1582 PolarHBondContact O-N 2.86Š|
| 1583 | T | 44.3 | Very low | 52.8 | Low | 100 Ų | 100 | 107.5 Ų | 107.5 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | trans | -105.5 | 83.1 | -175.1 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | S1581 | S1581-T1583 PolarHBondContact O-N 3.44Å; S1581-T1583 PolarHBondContact OG-OG1 3.21Å; S1581-T1583 VanDerWaalsContact OG-OG1 3.13Å | ||
| 1584 | Y | 37.7 | Very low | 50.4 | Low | 194 Ų | 194 | 115 Ų | 115 | 76% | 0.761 | 56% | 0.564 | S | S | * | * | trans | 178.7 | 58.6 | 150.2 | -96.4 | -69.6 | 0 | 0 | 0 | 109.7 | V1586 | Y1584-V1586 HydrophobicContact CD1-CG2 4.35Š| ||
| 1585 | D | 32.6 | Very low | 48.1 | Very low | 165 Ų | 165 | 117.4 Ų | 117.4 | 88% | 0.882 | 58% | 0.584 | S | S | * | * | trans | -89.4 | 94 | 152.7 | -84.3 | -29.4 | 0 | 0 | 0 | 106 | ||||
| 1586 | V | 36.4 | Very low | 45.9 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 58% | 0.582 | 62% | 0.615 | S | S | * | * | trans | -127 | 109.3 | 166.2 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | Y1584 H1588 | Y1584-V1586 HydrophobicContact CD1-CG2 4.35Å; V1586-H1588 PolarHBondContact O-N 2.96Å; V1586-H1588 VanDerWaalsContact O-N 3.07Å | ||
| 1587 | D | 32.7 | Very low | 43.5 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | -46.2 | 103.2 | 171.8 | -64.3 | -52.1 | 0 | 0 | 0 | 111.7 | ||||
| 1588 | H | 33.9 | Very low | 41.3 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 73% | 0.731 | 68% | 0.684 | S | S | * | * | trans | -139.8 | 92.6 | 160.3 | -76.3 | -50.6 | 0 | 0 | 0 | 110.7 | V1586 D1590 | V1586-H1588 PolarHBondContact O-N 2.96Å; V1586-H1588 VanDerWaalsContact O-N 3.07Å; H1588-D1590 VanDerWaalsContact C-N 3.31Å; H1588-D1590 PolarHBondContact O-N 3.25Å; H1588-D1590 VanDerWaalsContact O-N 3.08Å | ||
| 1589 | H | 29.6 | Very low | 39.1 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | trans | -46.6 | 100.7 | 137.6 | -71.4 | -74.1 | 0 | 0 | 0 | 108.2 | ||||
| 1590 | D | 34.4 | Very low | 37.4 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | -158.4 | 135.6 | 147.7 | -96.6 | -32.8 | 0 | 0 | 0 | 111.5 | H1588 | H1588-D1590 VanDerWaalsContact C-N 3.31Å; H1588-D1590 PolarHBondContact O-N 3.25Å; H1588-D1590 VanDerWaalsContact O-N 3.08Å | ||
| 1591 | H | 29.5 | Very low | 36.7 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 73% | 0.731 | 72% | 0.717 | S | S | * | * | trans | -63.9 | 152.2 | -170.1 | -74.1 | -92.3 | 0 | 0 | 0 | 113.6 | ||||
| 1592 | D | 34.2 | Very low | 36.5 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | 81 | 32.2 | 143.5 | -62 | -17.9 | 0 | 0 | 0 | 121.3 | ||||
| 1593 | H | 29.8 | Very low | 37.3 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 80% | 0.796 | 70% | 0.704 | S | S | * | * | trans | -121.6 | 121.2 | 164.1 | -71.5 | -8.9 | 0 | 0 | 0 | 112.7 | ||||
| 1594 | H | 28.8 | Very low | 38.6 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | trans | -23.1 | 129.1 | -176.9 | -89.9 | -88 | 0 | 0 | 0 | 116.6 | D1596 | H1594-D1596 PolarHBondContact O-N 3.09Š| ||
| 1595 | P | 33.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 0.2 | -177.8 | 27.7 | -33.3 | 0 | 0 | 0 | 115.3 | ||
| 1596 | D | 36.5 | Very low | 41.6 | Very low | 124 Ų | 124 | 119.4 Ų | 119.4 | 66% | 0.663 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -3.6 | -169.9 | -66.1 | -28.7 | 0 | 0 | 0 | 115.2 | H1594 | H1594-D1596 PolarHBondContact O-N 3.09Š|
| 1597 | H | 32.9 | Very low | 43 | Very low | 177 Ų | 177 | 118 Ų | 118 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -133.3 | -0.4 | -176.2 | -73.6 | -37 | 0 | 0 | 0 | 118 | ||
| 1598 | Q | 32.1 | Very low | 44.8 | Very low | 175 Ų | 175 | 113.1 Ų | 113.1 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -106.4 | 15.8 | -175.5 | -83.3 | -168.5 | -7.8 | 0 | 0 | 117.2 | ||
| 1599 | C | 34.1 | Very low | 46.3 | Very low | 120 Ų | 120 | 107.2 Ų | 107.2 | 81% | 0.811 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -137 | 117.9 | 165.6 | -105 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1600 | V | 42.9 | Very low | 48.1 | Very low | 71 Ų | 71 | 102.3 Ų | 102.3 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | trans | 169.1 | -13.7 | 144.6 | 157.1 | 0 | 0 | 0 | 0 | 114 | N1602 F1603 Y1606 | V1600-N1602 PolarHBondContact O-N 3.11Å; V1600-F1603 HydrophobicContact CB-CE2 4.06Å; V1600-F1603 HydrophobicContact CG1-CD2 4.09Å; V1600-F1603 HydrophobicContact CG1-CE2 3.84Å; V1600-F1603 HydrophobicContact CG2-CE2 3.98Å; V1600-F1603 WeakPolarHBondContact O-CD2 3.46Å; V1600-F1603 WeakPolarHBondContact O-CE2 3.3Å; V1600-Y1606 HydrophobicContact CG1-CE2 4.25Å | ||
| 1601 | N | 48.3 | Very low | 50.1 | Low | 126 Ų | 126 | 95.3 Ų | 95.3 | 67% | 0.674 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 7.6 | -175.1 | -73.2 | -8.8 | 0 | 0 | 0 | 117.1 | ||
| 1602 | N | 52.5 | Low | 52.2 | Low | 86 Ų | 86 | 87.9 Ų | 87.9 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 22.9 | -176.2 | -82.1 | -6.5 | 0 | 0 | 0 | 115 | V1600 | V1600-N1602 PolarHBondContact O-N 3.11Š|
| 1603 | F | 66.4 | Low | 54.2 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 27% | 0.268 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -94.5 | 151.7 | -178.7 | -61 | -68.3 | 0 | 0 | 0 | 113.9 | V1600 E1605 Y1606 I1607 | V1600-F1603 HydrophobicContact CB-CE2 4.06Å; V1600-F1603 HydrophobicContact CG1-CD2 4.09Å; V1600-F1603 HydrophobicContact CG1-CE2 3.84Å; V1600-F1603 HydrophobicContact CG2-CE2 3.98Å; V1600-F1603 WeakPolarHBondContact O-CD2 3.46Å; V1600-F1603 WeakPolarHBondContact O-CE2 3.3Å; F1603-E1605 VanDerWaalsContact C-N 3.27Å; F1603-E1605 WeakPolarHBondContact CB-OE1 3.22Å; F1603-E1605 PolarHBondContact O-N 2.93Å; F1603-Y1606 HydrophobicContact CB-CD2 3.85Å; F1603-Y1606 HydrophobicContact CB-CE2 4.25Å; F1603-Y1606 HydrophobicContact CD2-CD2 4.37Å; F1603-Y1606 HydrophobicContact CD2-CE2 4.07Å; F1603-Y1606 WeakPolarHBondContact O-CB 3.29Å; F1603-Y1606 PolarHBondContact O-N 2.86Å; F1603-I1607 PolarHBondContact O-N 2.79Å |
| 1604 | L | 71.8 | Confident | 56.3 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -50.7 | -41.6 | -176.7 | -173.1 | 75.1 | 0 | 0 | 0 | 113.2 | P1548 Y1575 W1576 W1579 Y1606 I1607 Y1608 V1611 F1615 | P1548-L1604 HydrophobicContact CB-CD1 3.87Å; P1548-L1604 HydrophobicContact CG-CD1 3.62Å; Y1575-L1604 HydrophobicContact CD1-CD2 4.21Å; Y1575-L1604 HydrophobicContact CE1-CD1 4.17Å; Y1575-L1604 HydrophobicContact CE1-CD2 4.04Å; W1576-L1604 HydrophobicContact CB-CD2 4.44Å; W1576-L1604 HydrophobicContact CG-CD2 4.5Å; W1579-L1604 HydrophobicContact CD2-CB 4.35Å; W1579-L1604 HydrophobicContact CD2-CD1 3.69Å; W1579-L1604 HydrophobicContact CE3-CB 3.81Å; W1579-L1604 HydrophobicContact CE3-CD1 3.84Å; W1579-L1604 HydrophobicContact CE3-CG 4.47Å; W1579-L1604 HydrophobicContact CG-CD1 4.02Å; W1579-L1604 HydrophobicContact CZ3-CB 4.41Å; W1579-L1604 HydrophobicContact CZ3-CD1 4.33Å; L1604-Y1606 VanDerWaalsContact C-N 3.28Å; L1604-Y1606 PolarHBondContact O-N 3.33Å; L1604-I1607 PolarHBondContact O-N 3.08Å; L1604-Y1608 HydrophobicContact CD1-CD2 4.09Å; L1604-Y1608 CarbonylContact O-C 3.49Å; L1604-Y1608 WeakPolarHBondContact O-CA 3.35Å; L1604-Y1608 PolarHBondContact O-N 3.16Å; L1604-V1611 HydrophobicContact CD2-CG1 4.26Å; L1604-F1615 HydrophobicContact CD2-CE2 3.87Å; L1604-F1615 HydrophobicContact CD2-CZ 4.44Å |
| 1605 | E | 69.1 | Low | 58.6 | Low | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -25.9 | 179.7 | 58.2 | -87.8 | -168 | 0 | 0 | 114.4 | W1576 F1603 M1612 R1644 L1648 | W1576-E1605 PolarHBondContact NE1-OE2 3.35Å; F1603-E1605 VanDerWaalsContact C-N 3.27Å; F1603-E1605 WeakPolarHBondContact CB-OE1 3.22Å; F1603-E1605 PolarHBondContact O-N 2.93Å; E1605-M1612 HydrophobicContact CB-CG 4.43Å; E1605-R1644 WeakPolarHBondContact OE1-CB 3.32Å; E1605-R1644 WeakPolarHBondContact OE1-CG 3.5Å; E1605-R1644 IonicContact OE1-CZ 3.63Å; E1605-R1644 IonicContact OE1-NE 3.44Å; E1605-R1644 PolarHBondContact OE1-NE 3.27Å; E1605-R1644 IonicContact OE1-NH2 3.68Å; E1605-R1644 IonicContact OE2-CZ 2.88Å; E1605-R1644 VanDerWaalsContact OE2-CZ 3.29Å; E1605-R1644 IonicContact OE2-NE 2.74Å; E1605-R1644 PolarHBondContact OE2-NE 2.99Å; E1605-R1644 IonicContact OE2-NH2 3.67Å; E1605-R1644 PolarHBondContact OE2-NH2 3.15Å; E1605-L1648 HydrophobicContact CB-CD1 3.74Å; E1605-L1648 HydrophobicContact CB-CD2 4.1Å; E1605-L1648 HydrophobicContact CB-CG 3.91Å; E1605-L1648 HydrophobicContact CG-CD1 4.15Å; E1605-L1648 HydrophobicContact CG-CG 4.2Å |
| 1606 | Y | 64.1 | Low | 60.6 | Low | 72 Ų | 72 | 61.2 Ų | 61.2 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -81.3 | -40.1 | 176.7 | -67 | -73.1 | 0 | 0 | 0 | 111.5 | V1600 F1603 L1604 N1647 | V1600-Y1606 HydrophobicContact CG1-CE2 4.25Å; F1603-Y1606 HydrophobicContact CB-CD2 3.85Å; F1603-Y1606 HydrophobicContact CB-CE2 4.25Å; F1603-Y1606 HydrophobicContact CD2-CD2 4.37Å; F1603-Y1606 HydrophobicContact CD2-CE2 4.07Å; F1603-Y1606 WeakPolarHBondContact O-CB 3.29Å; F1603-Y1606 PolarHBondContact O-N 2.86Å; L1604-Y1606 VanDerWaalsContact C-N 3.28Å; L1604-Y1606 PolarHBondContact O-N 3.33Å; Y1606-N1647 WeakPolarHBondContact OH-CB 3.22Å; Y1606-N1647 PolarHBondContact OH-ND2 2.9Å; Y1606-N1647 VanDerWaalsContact OH-ND2 3.11Å |
| 1607 | I | 66.3 | Low | 62.3 | Low | 66 Ų | 66 | 57.9 Ų | 57.9 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -85.8 | -36.7 | -175.2 | -53.3 | -179.7 | 0 | 0 | 0 | 111.3 | W1579 F1603 L1604 | W1579-I1607 HydrophobicContact CH2-CD1 3.89Å; W1579-I1607 HydrophobicContact CZ3-CD1 3.97Å; F1603-I1607 PolarHBondContact O-N 2.79Å; L1604-I1607 PolarHBondContact O-N 3.08Å |
| 1608 | Y | 69.7 | Low | 64.3 | Low | 51 Ų | 51 | 49.6 Ų | 49.6 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | trans | -134 | 64.6 | -174.5 | -56.3 | -78.1 | 0 | 0 | 0 | 113 | P1548 I1549 W1579 L1604 H1610 V1611 | P1548-Y1608 HydrophobicContact CB-CD1 4.22Å; P1548-Y1608 HydrophobicContact CB-CD2 3.65Å; P1548-Y1608 HydrophobicContact CB-CE2 4Å; P1548-Y1608 HydrophobicContact CB-CG 3.76Å; P1548-Y1608 HydrophobicContact CG-CD2 3.61Å; P1548-Y1608 HydrophobicContact CG-CE2 3.61Å; P1548-Y1608 HydrophobicContact CG-CG 4.24Å; I1549-Y1608 HydrophobicContact CD1-CD1 4.35Å; I1549-Y1608 HydrophobicContact CD1-CE1 3.73Å; I1549-Y1608 HydrophobicContact CG1-CD1 3.94Å; I1549-Y1608 HydrophobicContact CG1-CE1 3.73Å; W1579-Y1608 HydrophobicContact CH2-CD2 4.11Å; W1579-Y1608 AromaticContact CH2-CE2 3.71Å; W1579-Y1608 HydrophobicContact CH2-CE2 3.71Å; W1579-Y1608 HydrophobicContact CZ2-CD2 4.31Å; W1579-Y1608 AromaticContact CZ2-CE2 3.78Å; W1579-Y1608 HydrophobicContact CZ2-CE2 3.78Å; L1604-Y1608 HydrophobicContact CD1-CD2 4.09Å; L1604-Y1608 CarbonylContact O-C 3.49Å; L1604-Y1608 WeakPolarHBondContact O-CA 3.35Å; L1604-Y1608 PolarHBondContact O-N 3.16Å; Y1608-H1610 AromaticContact CD1-NE2 3.7Å; Y1608-H1610 PolarHBondContact O-N 3.01Å; Y1608-H1610 VanDerWaalsContact O-N 3.11Å; Y1608-V1611 HydrophobicContact CG-CG2 4.49Å; Y1608-V1611 WeakPolarHBondContact O-CB 3.39Å; Y1608-V1611 PolarHBondContact O-N 3.49Å | ||
| 1609 | P | 66.6 | Low | 66.3 | Low | 33 Ų | 33 | 41.3 Ų | 41.3 | 21% | 0.214 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -28.7 | -175.5 | 22.3 | -33.5 | 0 | 0 | 0 | 113.8 | V1611 M1612 W1613 | P1609-V1611 VanDerWaalsContact C-N 3.32Å; P1609-V1611 PolarHBondContact O-N 3.43Å; P1609-M1612 WeakPolarHBondContact O-CB 3.27Å; P1609-M1612 PolarHBondContact O-N 3.13Å; P1609-W1613 PolarHBondContact O-N 3.03Å |
| 1610 | H | 67.6 | Low | 67.9 | Low | 82 Ų | 82 | 36.9 Ų | 36.9 | 38% | 0.38 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.5 | -33.8 | 176 | 37.4 | -82.3 | 0 | 0 | 0 | 113.1 | L1552 Y1608 M1612 W1613 C1614 | L1552-H1610 HydrophobicContact CD2-CB 3.89Å; L1552-H1610 VanDerWaalsContact CD2-CD2 3.43Å; L1552-H1610 WeakPolarHBondContact CD2-CD2 3.37Å; Y1608-H1610 AromaticContact CD1-NE2 3.7Å; Y1608-H1610 PolarHBondContact O-N 3.01Å; Y1608-H1610 VanDerWaalsContact O-N 3.11Å; H1610-M1612 VanDerWaalsContact C-N 3.34Å; H1610-W1613 PolarHBondContact O-N 3.43Å; H1610-C1614 PolarHBondContact O-N 3.43Å |
| 1611 | V | 75.2 | Confident | 69.1 | Low | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | P1548 L1552 L1604 Y1608 P1609 W1613 C1614 F1615 | P1548-V1611 HydrophobicContact CB-CG2 3.9Å; P1548-V1611 WeakPolarHBondContact O-CG2 3.48Å; L1552-V1611 HydrophobicContact CB-CG2 4.07Å; L1604-V1611 HydrophobicContact CD2-CG1 4.26Å; Y1608-V1611 HydrophobicContact CG-CG2 4.49Å; Y1608-V1611 WeakPolarHBondContact O-CB 3.39Å; Y1608-V1611 PolarHBondContact O-N 3.49Å; P1609-V1611 VanDerWaalsContact C-N 3.32Å; P1609-V1611 PolarHBondContact O-N 3.43Å; V1611-W1613 PolarHBondContact O-N 3.22Å; V1611-C1614 WeakPolarHBondContact O-CB 3.48Å; V1611-C1614 PolarHBondContact O-N 2.91Å; V1611-F1615 HydrophobicContact CG1-CD1 4.1Å; V1611-F1615 HydrophobicContact CG1-CE1 3.56Å; V1611-F1615 HydrophobicContact CG1-CE2 4.18Å; V1611-F1615 HydrophobicContact CG1-CZ 3.63Å; V1611-F1615 WeakPolarHBondContact O-CD1 3.27Å; V1611-F1615 WeakPolarHBondContact O-CG 3.44Å; V1611-F1615 PolarHBondContact O-N 2.74Å |
| 1612 | M | 75 | Confident | 69.8 | Low | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.7 | -175 | 60.1 | -177 | 0 | 0 | 112.5 | W1576 E1605 P1609 H1610 C1614 F1615 L1616 L1648 | W1576-M1612 HydrophobicContact CD2-CE 4.33Å; W1576-M1612 HydrophobicContact CD2-SD 4.12Å; W1576-M1612 HydrophobicContact CE3-CE 4.4Å; W1576-M1612 HydrophobicContact CH2-CE 3.48Å; W1576-M1612 VanDerWaalsContact CH2-CE 3.48Å; W1576-M1612 HydrophobicContact CH2-SD 4.48Å; W1576-M1612 HydrophobicContact CZ2-CE 3.35Å; W1576-M1612 HydrophobicContact CZ2-SD 3.96Å; W1576-M1612 HydrophobicContact CZ3-CE 4Å; E1605-M1612 HydrophobicContact CB-CG 4.43Å; P1609-M1612 WeakPolarHBondContact O-CB 3.27Å; P1609-M1612 PolarHBondContact O-N 3.13Å; H1610-M1612 VanDerWaalsContact C-N 3.34Å; M1612-C1614 VanDerWaalsContact C-N 3.3Å; M1612-C1614 PolarHBondContact O-N 3.35Å; M1612-F1615 WeakPolarHBondContact O-CB 3.33Å; M1612-F1615 PolarHBondContact O-N 2.64Å; M1612-L1616 HydrophobicContact CE-CD1 4.48Å; M1612-L1616 HydrophobicContact CE-CD2 4.46Å; M1612-L1616 HydrophobicContact CE-CG 4.28Å; M1612-L1616 WeakPolarHBondContact O-CG 3.39Å; M1612-L1616 PolarHBondContact O-N 3.24Å; M1612-L1648 HydrophobicContact CE-CD1 3.93Å; M1612-L1648 HydrophobicContact CG-CD1 3.81Å |
| 1613 | W | 74.6 | Confident | 70.2 | Confident | 26 Ų | 26 | 29 Ų | 29 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | 175.6 | -69 | 133 | 0 | 0 | 0 | 113.1 | P1609 H1610 V1611 L1616 F1660 H1663 L1667 | P1609-W1613 PolarHBondContact O-N 3.03Å; H1610-W1613 PolarHBondContact O-N 3.43Å; V1611-W1613 PolarHBondContact O-N 3.22Å; W1613-L1616 HydrophobicContact CE3-CD1 3.46Å; W1613-L1616 VanDerWaalsContact CE3-CD1 3.46Å; W1613-L1616 HydrophobicContact CZ3-CD1 3.61Å; W1613-F1660 HydrophobicContact CZ2-CD2 4.36Å; W1613-F1660 HydrophobicContact CZ2-CE2 4.1Å; W1613-H1663 HydrophobicContact CD2-CB 3.84Å; W1613-H1663 AromaticContact CD2-CG 3.8Å; W1613-H1663 HydrophobicContact CE3-CB 3.4Å; W1613-H1663 VanDerWaalsContact CE3-CB 3.4Å; W1613-H1663 AromaticContact CE3-CG 3.65Å; W1613-H1663 AromaticContact CE3-ND1 3.73Å; W1613-H1663 HydrophobicContact CH2-CB 4.06Å; W1613-H1663 HydrophobicContact CZ2-CB 4.41Å; W1613-H1663 HydrophobicContact CZ3-CB 3.55Å; W1613-L1667 HydrophobicContact CH2-CD2 4.47Å; W1613-L1667 HydrophobicContact CZ3-CB 4.39Å |
| 1614 | C | 74 | Confident | 69.9 | Low | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.054 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -41.2 | 173.6 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | L1552 H1610 V1611 M1612 L1616 E1617 F1618 | L1552-C1614 HydrophobicContact CD1-CB 3.46Å; L1552-C1614 VanDerWaalsContact CD1-CB 3.46Å; H1610-C1614 PolarHBondContact O-N 3.43Å; V1611-C1614 WeakPolarHBondContact O-CB 3.48Å; V1611-C1614 PolarHBondContact O-N 2.91Å; M1612-C1614 VanDerWaalsContact C-N 3.3Å; M1612-C1614 PolarHBondContact O-N 3.35Å; C1614-L1616 VanDerWaalsContact C-N 3.29Å; C1614-L1616 PolarHBondContact O-N 2.89Å; C1614-E1617 WeakPolarHBondContact O-CB 3.29Å; C1614-E1617 PolarHBondContact O-N 3.34Å; C1614-F1618 WeakPolarHBondContact O-CD2 3.34Å; C1614-F1618 PolarHBondContact O-N 2.91Å |
| 1615 | F | 78.5 | Confident | 69.2 | Low | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 175.3 | -74.9 | 9.8 | 0 | 0 | 0 | 111.8 | L1551 L1555 L1572 Y1575 W1576 L1604 V1611 M1612 E1617 F1618 F1619 | L1551-F1615 HydrophobicContact CD2-CE1 3.97Å; L1551-F1615 HydrophobicContact CD2-CZ 3.84Å; L1555-F1615 HydrophobicContact CD1-CD1 3.99Å; L1555-F1615 HydrophobicContact CD1-CE1 3.75Å; L1572-F1615 HydrophobicContact CD1-CD1 4.49Å; L1572-F1615 HydrophobicContact CD2-CD1 4.41Å; L1572-F1615 HydrophobicContact CD2-CE1 3.78Å; L1572-F1615 HydrophobicContact CD2-CZ 3.99Å; Y1575-F1615 HydrophobicContact CD1-CE2 4.05Å; Y1575-F1615 AromaticContact CD1-CZ 3.81Å; Y1575-F1615 HydrophobicContact CD1-CZ 3.81Å; Y1575-F1615 HydrophobicContact CE1-CZ 4.27Å; W1576-F1615 HydrophobicContact CB-CD2 4.13Å; W1576-F1615 HydrophobicContact CB-CE2 3.95Å; L1604-F1615 HydrophobicContact CD2-CE2 3.87Å; L1604-F1615 HydrophobicContact CD2-CZ 4.44Å; V1611-F1615 HydrophobicContact CG1-CD1 4.1Å; V1611-F1615 HydrophobicContact CG1-CE1 3.56Å; V1611-F1615 HydrophobicContact CG1-CE2 4.18Å; V1611-F1615 HydrophobicContact CG1-CZ 3.63Å; V1611-F1615 WeakPolarHBondContact O-CD1 3.27Å; V1611-F1615 WeakPolarHBondContact O-CG 3.44Å; V1611-F1615 PolarHBondContact O-N 2.74Å; M1612-F1615 WeakPolarHBondContact O-CB 3.33Å; M1612-F1615 PolarHBondContact O-N 2.64Å; F1615-E1617 PolarHBondContact O-N 3.42Å; F1615-F1618 PolarHBondContact O-N 3.39Å; F1615-F1618 VanDerWaalsContact O-N 3.13Å; F1615-F1619 HydrophobicContact CB-CD2 4.26Å; F1615-F1619 HydrophobicContact CB-CE2 3.69Å; F1615-F1619 HydrophobicContact CB-CZ 4.09Å; F1615-F1619 HydrophobicContact CD2-CZ 4.46Å; F1615-F1619 VanDerWaalsContact O-CD2 3.25Å; F1615-F1619 WeakPolarHBondContact O-CD2 3.44Å; F1615-F1619 VanDerWaalsContact O-CG 3.3Å; F1615-F1619 WeakPolarHBondContact O-CG 3.39Å; F1615-F1619 PolarHBondContact O-N 3.42Å |
| 1616 | L | 74.3 | Confident | 69 | Low | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -28.5 | 175.9 | -76.9 | 164.7 | 0 | 0 | 0 | 113.5 | M1612 W1613 C1614 F1619 N1620 L1667 F1670 | M1612-L1616 HydrophobicContact CE-CD1 4.48Å; M1612-L1616 HydrophobicContact CE-CD2 4.46Å; M1612-L1616 HydrophobicContact CE-CG 4.28Å; M1612-L1616 WeakPolarHBondContact O-CG 3.39Å; M1612-L1616 PolarHBondContact O-N 3.24Å; W1613-L1616 HydrophobicContact CE3-CD1 3.46Å; W1613-L1616 VanDerWaalsContact CE3-CD1 3.46Å; W1613-L1616 HydrophobicContact CZ3-CD1 3.61Å; C1614-L1616 VanDerWaalsContact C-N 3.29Å; C1614-L1616 PolarHBondContact O-N 2.89Å; L1616-F1619 HydrophobicContact CD2-CD2 4.43Å; L1616-N1620 PolarHBondContact O-N 3.09Å; L1616-L1667 HydrophobicContact CD1-CD1 4.02Å; L1616-F1670 HydrophobicContact CD2-CB 4.04Å; L1616-F1670 HydrophobicContact CD2-CD1 3.96Å; L1616-F1670 HydrophobicContact CD2-CG 4.11Å |
| 1617 | E | 73.4 | Confident | 69.3 | Low | 54 Ų | 54 | 40.3 Ų | 40.3 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.3 | -44.2 | 174.3 | -60.8 | -163.3 | 135.8 | 0 | 0 | 111.9 | M1560 C1614 F1615 R1666 | M1560-E1617 HydrophobicContact CE-CB 3.27Å; M1560-E1617 HydrophobicContact CE-CG 4.24Å; M1560-E1617 WeakPolarHBondContact CE-OE2 3.43Å; M1560-E1617 HydrophobicContact SD-CB 4.26Å; C1614-E1617 WeakPolarHBondContact O-CB 3.29Å; C1614-E1617 PolarHBondContact O-N 3.34Å; F1615-E1617 PolarHBondContact O-N 3.42Å; E1617-R1666 VanDerWaalsContact CG-NH1 3.28Å; E1617-R1666 IonicContact OE1-CZ 2.89Å; E1617-R1666 IonicContact OE1-NH1 3.22Å; E1617-R1666 PolarHBondContact OE1-NH1 3.47Å; E1617-R1666 IonicContact OE1-NH2 3.18Å; E1617-R1666 PolarHBondContact OE1-NH2 3.01Å |
| 1618 | F | 73.7 | Confident | 69.8 | Low | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -36.1 | 175 | -73.5 | -86.8 | 0 | 0 | 0 | 112.1 | L1555 M1560 F1564 F1568 L1572 C1614 F1615 L1621 S1622 | L1555-F1618 HydrophobicContact CB-CE2 4.15Å; L1555-F1618 HydrophobicContact CD1-CE2 4.42Å; L1555-F1618 HydrophobicContact CD2-CE2 3.84Å; L1555-F1618 HydrophobicContact CD2-CZ 3.91Å; L1555-F1618 HydrophobicContact CG-CE2 4.35Å; M1560-F1618 HydrophobicContact CE-CD1 4.41Å; M1560-F1618 HydrophobicContact CE-CD2 3.54Å; M1560-F1618 HydrophobicContact CE-CE1 4.23Å; M1560-F1618 HydrophobicContact CE-CE2 3.29Å; M1560-F1618 HydrophobicContact CE-CG 4.09Å; M1560-F1618 HydrophobicContact CE-CZ 3.68Å; M1560-F1618 HydrophobicContact SD-CD1 4.27Å; M1560-F1618 HydrophobicContact SD-CD2 4.4Å; M1560-F1618 HydrophobicContact SD-CE1 4.11Å; M1560-F1618 HydrophobicContact SD-CE2 4.22Å; M1560-F1618 HydrophobicContact SD-CG 4.41Å; M1560-F1618 HydrophobicContact SD-CZ 4.07Å; F1564-F1618 HydrophobicContact CD1-CE1 4.35Å; F1564-F1618 HydrophobicContact CD2-CD1 4.1Å; F1564-F1618 AromaticContact CD2-CE1 3.7Å; F1564-F1618 HydrophobicContact CD2-CE1 3.7Å; F1564-F1618 HydrophobicContact CE1-CE1 4.22Å; F1564-F1618 HydrophobicContact CE2-CD1 4.35Å; F1564-F1618 AromaticContact CE2-CE1 3.55Å; F1564-F1618 HydrophobicContact CE2-CE1 3.55Å; F1564-F1618 HydrophobicContact CE2-CZ 4.38Å; F1564-F1618 HydrophobicContact CG-CD1 4.46Å; F1564-F1618 HydrophobicContact CG-CE1 4.11Å; F1564-F1618 AromaticContact CZ-CE1 3.82Å; F1564-F1618 HydrophobicContact CZ-CE1 3.82Å; F1564-F1618 HydrophobicContact CZ-CZ 4.39Å; F1568-F1618 HydrophobicContact CD1-CD1 4.43Å; F1568-F1618 HydrophobicContact CE1-CD1 4.13Å; F1568-F1618 AromaticContact CE1-CE1 3.95Å; F1568-F1618 HydrophobicContact CE1-CE1 3.95Å; F1568-F1618 HydrophobicContact CE1-CZ 4.48Å; L1572-F1618 HydrophobicContact CD1-CB 4.26Å; L1572-F1618 HydrophobicContact CD1-CD2 4.46Å; L1572-F1618 HydrophobicContact CD1-CG 4.26Å; C1614-F1618 WeakPolarHBondContact O-CD2 3.34Å; C1614-F1618 PolarHBondContact O-N 2.91Å; F1615-F1618 PolarHBondContact O-N 3.39Å; F1615-F1618 VanDerWaalsContact O-N 3.13Å; F1618-L1621 PolarHBondContact O-N 3.15Å; F1618-S1622 PolarHBondContact O-N 3.38Å; F1618-S1622 PolarHBondContact O-OG 3.16Å; F1618-S1622 VanDerWaalsContact O-OG 3.07Å |
| 1619 | F | 75 | Confident | 70.2 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 176.2 | -66.1 | -35 | 0 | 0 | 0 | 111.7 | T1569 I1573 W1576 F1615 L1616 L1621 S1622 C1623 | T1569-F1619 HydrophobicContact CG2-CD1 3.42Å; T1569-F1619 VanDerWaalsContact CG2-CD1 3.42Å; T1569-F1619 HydrophobicContact CG2-CE1 3.68Å; I1573-F1619 HydrophobicContact CB-CE1 4.49Å; I1573-F1619 HydrophobicContact CD1-CD1 4.35Å; I1573-F1619 HydrophobicContact CD1-CE1 3.88Å; I1573-F1619 HydrophobicContact CD1-CZ 4.48Å; I1573-F1619 HydrophobicContact CG1-CD1 4.14Å; I1573-F1619 HydrophobicContact CG1-CE1 3.21Å; I1573-F1619 HydrophobicContact CG1-CZ 3.54Å; W1576-F1619 HydrophobicContact CE3-CE2 4.21Å; W1576-F1619 HydrophobicContact CE3-CZ 4.4Å; W1576-F1619 HydrophobicContact CZ3-CE2 4.42Å; F1615-F1619 HydrophobicContact CB-CD2 4.26Å; F1615-F1619 HydrophobicContact CB-CE2 3.69Å; F1615-F1619 HydrophobicContact CB-CZ 4.09Å; F1615-F1619 HydrophobicContact CD2-CZ 4.46Å; F1615-F1619 VanDerWaalsContact O-CD2 3.25Å; F1615-F1619 WeakPolarHBondContact O-CD2 3.44Å; F1615-F1619 VanDerWaalsContact O-CG 3.3Å; F1615-F1619 WeakPolarHBondContact O-CG 3.39Å; F1615-F1619 PolarHBondContact O-N 3.42Å; L1616-F1619 HydrophobicContact CD2-CD2 4.43Å; F1619-L1621 PolarHBondContact O-N 3.26Å; F1619-S1622 PolarHBondContact O-N 3.38Å; F1619-C1623 VanDerWaalsContact C-SG 3.58Å; F1619-C1623 WeakPolarHBondContact O-CB 3.18Å; F1619-C1623 PolarHBondContact O-N 3.45Å; F1619-C1623 PolarHBondContact O-SG 3.32Å |
| 1620 | N | 67.5 | Low | 70.7 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -27 | -178.7 | -83.1 | -11.7 | 0 | 0 | 0 | 113.9 | L1616 R1666 Y1669 | L1616-N1620 PolarHBondContact O-N 3.09Å; N1620-R1666 WeakPolarHBondContact ND2-CB 3.46Å; N1620-R1666 VanDerWaalsContact ND2-CG 3.27Å; N1620-R1666 WeakPolarHBondContact ND2-CG 3.16Å; N1620-Y1669 WeakPolarHBondContact OD1-CD1 3.41Å |
| 1621 | L | 66.9 | Low | 71.3 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 51% | 0.508 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -38.5 | 171.2 | -74 | 163.5 | 0 | 0 | 0 | 112 | M1560 F1618 F1619 | M1560-L1621 HydrophobicContact CB-CD1 4.5Å; M1560-L1621 HydrophobicContact SD-CD1 3.59Å; M1560-L1621 VanDerWaalsContact SD-CD1 3.59Å; F1618-L1621 PolarHBondContact O-N 3.15Å; F1619-L1621 PolarHBondContact O-N 3.26Å |
| 1622 | S | 64.1 | Low | 71.5 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -88.4 | -34.1 | -174.2 | -46 | 0 | 0 | 0 | 0 | 113.2 | T1569 F1618 F1619 N1624 T1625 | T1569-S1622 WeakPolarHBondContact CG2-OG 3.39Å; T1569-S1622 PolarHBondContact OG1-OG 3.07Å; F1618-S1622 PolarHBondContact O-N 3.38Å; F1618-S1622 PolarHBondContact O-OG 3.16Å; F1618-S1622 VanDerWaalsContact O-OG 3.07Å; F1619-S1622 PolarHBondContact O-N 3.38Å; S1622-N1624 PolarHBondContact O-N 2.91Å; S1622-T1625 PolarHBondContact O-N 2.83Å; S1622-T1625 PolarHBondContact O-OG1 3.4Å |
| 1623 | C | 60.3 | Low | 71.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.1 | -176 | -69.4 | 0 | 0 | 0 | 0 | 114.1 | F1619 T1625 M1629 | F1619-C1623 VanDerWaalsContact C-SG 3.58Å; F1619-C1623 WeakPolarHBondContact O-CB 3.18Å; F1619-C1623 PolarHBondContact O-N 3.45Å; F1619-C1623 PolarHBondContact O-SG 3.32Å; C1623-T1625 PolarHBondContact O-N 3.41Å; C1623-T1625 VanDerWaalsContact O-N 3.16Å; C1623-M1629 HydrophobicContact CB-CE 3.39Å; C1623-M1629 WeakPolarHBondContact SG-CE 3.41Å |
| 1624 | N | 59.8 | Low | 72 | Confident | 113 Ų | 113 | 53.9 Ų | 53.9 | 60% | 0.604 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -6.8 | 177.6 | -79.5 | -24.1 | 0 | 0 | 0 | 114.2 | S1622 Y1669 | S1622-N1624 PolarHBondContact O-N 2.91Å; N1624-Y1669 PolarHBondContact OD1-OH 2.93Å |
| 1625 | T | 58.5 | Low | 72.3 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | trans | -105 | 125.2 | 177 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | S1622 C1623 C1627 F1628 M1629 | S1622-T1625 PolarHBondContact O-N 2.83Å; S1622-T1625 PolarHBondContact O-OG1 3.4Å; C1623-T1625 PolarHBondContact O-N 3.41Å; C1623-T1625 VanDerWaalsContact O-N 3.16Å; T1625-C1627 PolarHBondContact O-N 3.19Å; T1625-F1628 PolarHBondContact O-N 2.88Å; T1625-F1628 WeakPolarHBondContact OG1-CB 3.34Å; T1625-F1628 PolarHBondContact OG1-N 3.23Å; T1625-M1629 PolarHBondContact O-N 3.46Å | ||
| 1626 | T | 64.2 | Low | 72.6 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 73% | 0.73 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56 | -32.4 | 173.1 | 40.2 | 0 | 0 | 0 | 0 | 112.1 | M1629 Q1630 | T1626-M1629 PolarHBondContact O-N 2.95Å; T1626-Q1630 WeakPolarHBondContact O-CG 3.37Å; T1626-Q1630 PolarHBondContact O-N 2.85Å; T1626-Q1630 VanDerWaalsContact O-N 3.08Å |
| 1627 | C | 69.8 | Low | 72.9 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 55% | 0.554 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.6 | -37.2 | 177.2 | -155.8 | 0 | 0 | 0 | 0 | 112.7 | T1625 R1631 | T1625-C1627 PolarHBondContact O-N 3.19Å; C1627-R1631 PolarHBondContact O-N 2.93Å; C1627-R1631 VanDerWaalsContact O-N 3.16Å |
| 1628 | F | 77.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67 | -46.6 | 175.9 | 179.7 | -97.4 | 0 | 0 | 0 | 111.3 | D1566 T1569 L1570 I1573 T1625 Q1630 R1631 V1632 | D1566-F1628 HydrophobicContact CB-CD2 4.43Å; T1569-F1628 HydrophobicContact CG2-CE2 4.06Å; T1569-F1628 HydrophobicContact CG2-CZ 3.73Å; L1570-F1628 HydrophobicContact CD2-CE2 4.07Å; L1570-F1628 HydrophobicContact CG-CE2 4.19Å; I1573-F1628 HydrophobicContact CD1-CE1 4.47Å; I1573-F1628 HydrophobicContact CD1-CZ 3.85Å; T1625-F1628 PolarHBondContact O-N 2.88Å; T1625-F1628 WeakPolarHBondContact OG1-CB 3.34Å; T1625-F1628 PolarHBondContact OG1-N 3.23Å; F1628-Q1630 VanDerWaalsContact C-N 3.32Å; F1628-Q1630 PolarHBondContact O-N 3Å; F1628-R1631 WeakPolarHBondContact O-CA 3.02Å; F1628-R1631 WeakPolarHBondContact O-CB 3.18Å; F1628-R1631 PolarHBondContact O-N 3Å; F1628-V1632 HydrophobicContact CD1-CG2 4.08Å; F1628-V1632 HydrophobicContact CE1-CG2 3.73Å; F1628-V1632 HydrophobicContact CZ-CG2 4.04Å; F1628-V1632 WeakPolarHBondContact O-CG2 3.13Å; F1628-V1632 PolarHBondContact O-N 2.93Å |
| 1629 | M | 77.3 | Confident | 73.6 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 11% | 0.108 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.1 | -74.6 | -64.7 | 166.1 | 0 | 0 | 113.1 | C1623 T1625 T1626 R1631 V1632 Q1633 C1673 | C1623-M1629 HydrophobicContact CB-CE 3.39Å; C1623-M1629 WeakPolarHBondContact SG-CE 3.41Å; T1625-M1629 PolarHBondContact O-N 3.46Å; T1626-M1629 PolarHBondContact O-N 2.95Å; M1629-R1631 VanDerWaalsContact C-N 3.31Å; M1629-R1631 PolarHBondContact O-N 2.75Å; M1629-V1632 PolarHBondContact O-N 3.31Å; M1629-Q1633 PolarHBondContact O-N 3.13Å; M1629-C1673 HydrophobicContact CE-CB 3.57Å; M1629-C1673 HydrophobicContact SD-CB 4.07Å |
| 1630 | Q | 78 | Confident | 73.8 | Confident | 115 Ų | 115 | 68.8 Ų | 68.8 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | 172.5 | -74.7 | 177.2 | -4.4 | 0 | 0 | 112.9 | T1626 F1628 K1634 | T1626-Q1630 WeakPolarHBondContact O-CG 3.37Å; T1626-Q1630 PolarHBondContact O-N 2.85Å; T1626-Q1630 VanDerWaalsContact O-N 3.08Å; F1628-Q1630 VanDerWaalsContact C-N 3.32Å; F1628-Q1630 PolarHBondContact O-N 3Å; Q1630-K1634 WeakPolarHBondContact O-CG 3.43Å; Q1630-K1634 PolarHBondContact O-N 2.94Å |
| 1631 | R | 78.9 | Confident | 74.5 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.2 | -44.6 | 171.2 | -79.3 | 178.4 | 93.8 | 163.8 | 7.5 | 111.2 | C1627 F1628 M1629 Q1633 K1634 E1635 | C1627-R1631 PolarHBondContact O-N 2.93Å; C1627-R1631 VanDerWaalsContact O-N 3.16Å; F1628-R1631 WeakPolarHBondContact O-CA 3.02Å; F1628-R1631 WeakPolarHBondContact O-CB 3.18Å; F1628-R1631 PolarHBondContact O-N 3Å; M1629-R1631 VanDerWaalsContact C-N 3.31Å; M1629-R1631 PolarHBondContact O-N 2.75Å; R1631-Q1633 VanDerWaalsContact C-N 3.3Å; R1631-Q1633 PolarHBondContact O-N 3.31Å; R1631-K1634 PolarHBondContact O-N 3.47Å; R1631-E1635 IonicContact NE-OE1 2.72Å; R1631-E1635 WeakPolarHBondContact O-CB 3.24Å; R1631-E1635 PolarHBondContact O-N 3.48Å |
| 1632 | V | 80.7 | Confident | 75.1 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 176.3 | 175 | 0 | 0 | 0 | 0 | 111.1 | I1573 F1628 M1629 K1634 E1635 F1636 L1641 | I1573-V1632 HydrophobicContact CD1-CG2 4.04Å; F1628-V1632 HydrophobicContact CD1-CG2 4.08Å; F1628-V1632 HydrophobicContact CE1-CG2 3.73Å; F1628-V1632 HydrophobicContact CZ-CG2 4.04Å; F1628-V1632 WeakPolarHBondContact O-CG2 3.13Å; F1628-V1632 PolarHBondContact O-N 2.93Å; M1629-V1632 PolarHBondContact O-N 3.31Å; V1632-K1634 VanDerWaalsContact C-N 3.26Å; V1632-K1634 PolarHBondContact O-N 3.24Å; V1632-E1635 PolarHBondContact O-N 3.34Å; V1632-F1636 HydrophobicContact CG1-CD2 4.34Å; V1632-F1636 PolarHBondContact O-N 3.41Å; V1632-L1641 HydrophobicContact CG1-CD1 3.91Å |
| 1633 | Q | 79 | Confident | 75.9 | Confident | 105 Ų | 105 | 64.6 Ų | 64.6 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -25.8 | 177.9 | -168.6 | 177.4 | 18.4 | 0 | 0 | 113.6 | M1629 R1631 V1638 C1677 | M1629-Q1633 PolarHBondContact O-N 3.13Å; R1631-Q1633 VanDerWaalsContact C-N 3.3Å; R1631-Q1633 PolarHBondContact O-N 3.31Å; Q1633-V1638 HydrophobicContact CB-CG2 4.32Å; Q1633-V1638 HydrophobicContact CG-CG2 4.12Å; Q1633-C1677 PolarHBondContact NE2-O 3.43Å |
| 1634 | K | 80.9 | Confident | 76.7 | Confident | 180 Ų | 180 | 64.7 Ų | 64.7 | 78% | 0.783 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -86.5 | -38.3 | 177.1 | -76.7 | 179.1 | 179.8 | -179.2 | 0 | 113.2 | Q1630 R1631 V1632 | Q1630-K1634 WeakPolarHBondContact O-CG 3.43Å; Q1630-K1634 PolarHBondContact O-N 2.94Å; R1631-K1634 PolarHBondContact O-N 3.47Å; V1632-K1634 VanDerWaalsContact C-N 3.26Å; V1632-K1634 PolarHBondContact O-N 3.24Å |
| 1635 | E | 81.2 | Confident | 77.6 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -90.3 | -25.4 | -173.4 | -68.5 | 178.5 | -161.5 | 0 | 0 | 112.4 | R1631 V1632 | R1631-E1635 IonicContact NE-OE1 2.72Å; R1631-E1635 WeakPolarHBondContact O-CB 3.24Å; R1631-E1635 PolarHBondContact O-N 3.48Å; V1632-E1635 PolarHBondContact O-N 3.34Å |
| 1636 | F | 83.1 | Confident | 78.3 | Confident | 28 Ų | 28 | 56.4 Ų | 56.4 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -130.8 | 150.4 | -175.3 | -56 | -80.7 | 0 | 0 | 0 | 112.8 | L1570 I1573 M1577 V1632 V1638 L1641 | L1570-F1636 HydrophobicContact CD2-CE2 4.19Å; I1573-F1636 HydrophobicContact CB-CE1 4.48Å; I1573-F1636 HydrophobicContact CB-CE2 4.12Å; I1573-F1636 HydrophobicContact CB-CZ 3.91Å; I1573-F1636 HydrophobicContact CG2-CD1 3.99Å; I1573-F1636 HydrophobicContact CG2-CD2 3.92Å; I1573-F1636 HydrophobicContact CG2-CE1 3.66Å; I1573-F1636 HydrophobicContact CG2-CE2 3.59Å; I1573-F1636 HydrophobicContact CG2-CG 4.11Å; I1573-F1636 HydrophobicContact CG2-CZ 3.44Å; I1573-F1636 VanDerWaalsContact CG2-CZ 3.44Å; M1577-F1636 HydrophobicContact CB-CE1 4.43Å; M1577-F1636 HydrophobicContact CG-CD1 3.91Å; M1577-F1636 HydrophobicContact CG-CE1 4.11Å; V1632-F1636 HydrophobicContact CG1-CD2 4.34Å; V1632-F1636 PolarHBondContact O-N 3.41Å; F1636-V1638 PolarHBondContact O-N 3.01Å; F1636-L1641 HydrophobicContact CB-CD1 3.7Å; F1636-L1641 HydrophobicContact CG-CD1 4.46Å |
| 1637 | N | 81.6 | Confident | 78.6 | Confident | 88 Ų | 88 | 52.4 Ų | 52.4 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | trans | -76.4 | 109.7 | 171.3 | -175.3 | -26.4 | 0 | 0 | 0 | 110.2 | E1639 I1640 L1641 | N1637-E1639 VanDerWaalsContact C-N 3.3Å; N1637-E1639 PolarHBondContact O-N 2.57Å; N1637-E1639 PolarHBondContact OD1-N 3.25Å; N1637-I1640 HydrophobicContact CB-CB 4.24Å; N1637-I1640 HydrophobicContact CB-CD1 3.85Å; N1637-I1640 HydrophobicContact CB-CG1 4Å; N1637-I1640 PolarHBondContact O-N 2.92Å; N1637-I1640 PolarHBondContact OD1-N 2.85Å; N1637-L1641 PolarHBondContact O-N 3.35Å; N1637-L1641 VanDerWaalsContact O-N 3.13Å | ||
| 1638 | V | 81.1 | Confident | 78.6 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | -177.2 | 179.3 | 0 | 0 | 0 | 0 | 112.7 | Q1633 F1636 L1641 L1642 L1674 C1677 L1678 | Q1633-V1638 HydrophobicContact CB-CG2 4.32Å; Q1633-V1638 HydrophobicContact CG-CG2 4.12Å; F1636-V1638 PolarHBondContact O-N 3.01Å; V1638-L1641 PolarHBondContact O-N 3.32Å; V1638-L1642 HydrophobicContact CG1-CD1 4.13Å; V1638-L1642 WeakPolarHBondContact O-CB 3.31Å; V1638-L1642 PolarHBondContact O-N 3.29Å; V1638-L1674 HydrophobicContact CG1-CB 4.36Å; V1638-L1674 HydrophobicContact CG1-CD2 4.25Å; V1638-C1677 HydrophobicContact CG1-CB 3.89Å; V1638-C1677 HydrophobicContact CG2-CB 4.23Å; V1638-L1678 HydrophobicContact CG1-CD2 4.44Å; V1638-L1678 HydrophobicContact CG1-CG 4.26Å |
| 1639 | E | 79.9 | Confident | 78.1 | Confident | 67 Ų | 67 | 50.3 Ų | 50.3 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.2 | -35 | -178.8 | -161.7 | 163.3 | -147.7 | 0 | 0 | 111.3 | N1637 L1642 S1643 S1683 Y1689 | N1637-E1639 VanDerWaalsContact C-N 3.3Å; N1637-E1639 PolarHBondContact O-N 2.57Å; N1637-E1639 PolarHBondContact OD1-N 3.25Å; E1639-L1642 PolarHBondContact O-N 3.17Å; E1639-S1643 WeakPolarHBondContact O-CB 3.05Å; E1639-S1643 PolarHBondContact O-N 3.22Å; E1639-S1683 PolarHBondContact OE1-OG 2.96Å; E1639-Y1689 HydrophobicContact CG-CE2 4.33Å |
| 1640 | I | 80.3 | Confident | 77.3 | Confident | 83 Ų | 83 | 54 Ų | 54 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 172.4 | -61.5 | 178.9 | 0 | 0 | 0 | 110.8 | M1577 N1637 L1642 S1643 R1644 | M1577-I1640 HydrophobicContact CE-CG2 3.91Å; N1637-I1640 HydrophobicContact CB-CB 4.24Å; N1637-I1640 HydrophobicContact CB-CD1 3.85Å; N1637-I1640 HydrophobicContact CB-CG1 4Å; N1637-I1640 PolarHBondContact O-N 2.92Å; N1637-I1640 PolarHBondContact OD1-N 2.85Å; I1640-L1642 PolarHBondContact O-N 3.31Å; I1640-S1643 WeakPolarHBondContact O-CB 3.45Å; I1640-S1643 PolarHBondContact O-N 3.43Å; I1640-R1644 PolarHBondContact O-N 3.42Å |
| 1641 | L | 81.1 | Confident | 76.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 174.8 | -80.4 | 163.5 | 0 | 0 | 0 | 111.4 | W1576 M1577 V1632 F1636 N1637 V1638 S1643 R1644 V1645 L1674 | W1576-L1641 HydrophobicContact CE3-CD2 4.03Å; W1576-L1641 HydrophobicContact CH2-CD2 3.82Å; W1576-L1641 HydrophobicContact CZ3-CD2 3.38Å; M1577-L1641 HydrophobicContact CG-CD2 4.41Å; M1577-L1641 HydrophobicContact SD-CD2 3.66Å; M1577-L1641 HydrophobicContact SD-CG 4.13Å; V1632-L1641 HydrophobicContact CG1-CD1 3.91Å; F1636-L1641 HydrophobicContact CB-CD1 3.7Å; F1636-L1641 HydrophobicContact CG-CD1 4.46Å; N1637-L1641 PolarHBondContact O-N 3.35Å; N1637-L1641 VanDerWaalsContact O-N 3.13Å; V1638-L1641 PolarHBondContact O-N 3.32Å; L1641-S1643 VanDerWaalsContact C-N 3.34Å; L1641-S1643 PolarHBondContact O-N 3.48Å; L1641-R1644 PolarHBondContact O-N 2.85Å; L1641-V1645 WeakPolarHBondContact O-CG2 3.48Å; L1641-V1645 PolarHBondContact O-N 2.82Å; L1641-L1674 HydrophobicContact CB-CD1 4.21Å; L1641-L1674 HydrophobicContact CB-CD2 4.33Å; L1641-L1674 HydrophobicContact CD1-CD2 4.39Å |
| 1642 | L | 79.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.3 | -93.1 | 159.7 | 0 | 0 | 0 | 112.1 | V1638 E1639 I1640 R1644 V1645 S1646 M1671 L1674 L1675 L1678 Y1689 | V1638-L1642 HydrophobicContact CG1-CD1 4.13Å; V1638-L1642 WeakPolarHBondContact O-CB 3.31Å; V1638-L1642 PolarHBondContact O-N 3.29Å; E1639-L1642 PolarHBondContact O-N 3.17Å; I1640-L1642 PolarHBondContact O-N 3.31Å; L1642-R1644 VanDerWaalsContact C-N 3.32Å; L1642-R1644 PolarHBondContact O-N 3.35Å; L1642-V1645 PolarHBondContact O-N 3.02Å; L1642-S1646 WeakPolarHBondContact O-CA 3.49Å; L1642-S1646 WeakPolarHBondContact O-CB 3.48Å; L1642-S1646 PolarHBondContact O-N 3.46Å; L1642-M1671 HydrophobicContact CD2-CE 4.38Å; L1642-M1671 HydrophobicContact CD2-CG 3.9Å; L1642-L1674 HydrophobicContact CD1-CB 3.86Å; L1642-L1674 HydrophobicContact CD2-CB 3.88Å; L1642-L1674 HydrophobicContact CD2-CD1 4.37Å; L1642-L1674 HydrophobicContact CG-CB 3.6Å; L1642-L1674 HydrophobicContact CG-CD1 4.06Å; L1642-L1674 HydrophobicContact CG-CG 4.46Å; L1642-L1675 HydrophobicContact CD1-CD2 4.49Å; L1642-L1675 HydrophobicContact CD2-CD2 4.36Å; L1642-L1675 HydrophobicContact CD2-CG 4.15Å; L1642-L1678 HydrophobicContact CD1-CD1 3.18Å; L1642-L1678 HydrophobicContact CD1-CG 3.73Å; L1642-Y1689 HydrophobicContact CB-CE1 4.43Å |
| 1643 | S | 80.2 | Confident | 73.1 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | E1639 I1640 L1641 S1646 N1647 | E1639-S1643 WeakPolarHBondContact O-CB 3.05Å; E1639-S1643 PolarHBondContact O-N 3.22Å; I1640-S1643 WeakPolarHBondContact O-CB 3.45Å; I1640-S1643 PolarHBondContact O-N 3.43Å; L1641-S1643 VanDerWaalsContact C-N 3.34Å; L1641-S1643 PolarHBondContact O-N 3.48Å; S1643-S1646 WeakPolarHBondContact O-CB 3.25Å; S1643-N1647 PolarHBondContact O-N 3.12Å; S1643-N1647 VanDerWaalsContact O-N 3.07Å; S1643-N1647 PolarHBondContact O-ND2 2.99Å |
| 1644 | R | 78.2 | Confident | 71.6 | Confident | 11 Ų | 11 | 62 Ų | 62 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 177.4 | -67.6 | -177 | 76.7 | 173.9 | -1.4 | 112.3 | W1576 M1577 E1605 I1640 L1641 L1642 S1646 N1647 L1648 | W1576-R1644 VanDerWaalsContact CD1-NH2 3.29Å; W1576-R1644 HydrophobicContact CZ2-CB 3.9Å; W1576-R1644 VanDerWaalsContact NE1-NH2 3.2Å; W1576-R1644 PolarHBondContact O-NH1 3.24Å; W1576-R1644 PolarHBondContact O-NH2 3.23Å; M1577-R1644 VanDerWaalsContact CA-NH1 3.34Å; E1605-R1644 WeakPolarHBondContact OE1-CB 3.32Å; E1605-R1644 WeakPolarHBondContact OE1-CG 3.5Å; E1605-R1644 IonicContact OE1-CZ 3.63Å; E1605-R1644 IonicContact OE1-NE 3.44Å; E1605-R1644 PolarHBondContact OE1-NE 3.27Å; E1605-R1644 IonicContact OE1-NH2 3.68Å; E1605-R1644 IonicContact OE2-CZ 2.88Å; E1605-R1644 VanDerWaalsContact OE2-CZ 3.29Å; E1605-R1644 IonicContact OE2-NE 2.74Å; E1605-R1644 PolarHBondContact OE2-NE 2.99Å; E1605-R1644 IonicContact OE2-NH2 3.67Å; E1605-R1644 PolarHBondContact OE2-NH2 3.15Å; I1640-R1644 PolarHBondContact O-N 3.42Å; L1641-R1644 PolarHBondContact O-N 2.85Å; L1642-R1644 VanDerWaalsContact C-N 3.32Å; L1642-R1644 PolarHBondContact O-N 3.35Å; R1644-S1646 VanDerWaalsContact C-N 3.34Å; R1644-N1647 PolarHBondContact O-N 3.03Å; R1644-L1648 PolarHBondContact O-N 2.84Å |
| 1645 | V | 78 | Confident | 70.1 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | W1576 L1641 L1642 L1648 C1649 L1667 F1670 M1671 L1674 | W1576-V1645 HydrophobicContact CH2-CG2 4.01Å; L1641-V1645 WeakPolarHBondContact O-CG2 3.48Å; L1641-V1645 PolarHBondContact O-N 2.82Å; L1642-V1645 PolarHBondContact O-N 3.02Å; V1645-L1648 WeakPolarHBondContact O-CB 3.44Å; V1645-L1648 PolarHBondContact O-N 3.21Å; V1645-C1649 PolarHBondContact O-N 3.21Å; V1645-C1649 PolarHBondContact O-SG 3.09Å; V1645-C1649 VanDerWaalsContact O-SG 3.35Å; V1645-L1667 HydrophobicContact CG1-CD1 3.82Å; V1645-L1667 HydrophobicContact CG1-CG 4.28Å; V1645-F1670 HydrophobicContact CG2-CD1 3.75Å; V1645-F1670 HydrophobicContact CG2-CE1 3.6Å; V1645-M1671 HydrophobicContact CG1-CB 4.04Å; V1645-M1671 HydrophobicContact CG1-CG 4.13Å; V1645-L1674 HydrophobicContact CG2-CD1 4.03Å |
| 1646 | S | 73 | Confident | 68.3 | Low | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.9 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L1642 S1643 R1644 L1648 C1649 L1650 F1688 Q1692 | L1642-S1646 WeakPolarHBondContact O-CA 3.49Å; L1642-S1646 WeakPolarHBondContact O-CB 3.48Å; L1642-S1646 PolarHBondContact O-N 3.46Å; S1643-S1646 WeakPolarHBondContact O-CB 3.25Å; R1644-S1646 VanDerWaalsContact C-N 3.34Å; S1646-L1648 VanDerWaalsContact C-N 3.33Å; S1646-L1648 PolarHBondContact O-N 3.15Å; S1646-C1649 WeakPolarHBondContact O-CB 3.42Å; S1646-C1649 PolarHBondContact O-N 3.49Å; S1646-C1649 VanDerWaalsContact O-N 3.09Å; S1646-L1650 PolarHBondContact O-N 3.27Å; S1646-F1688 WeakPolarHBondContact OG-CE1 3.41Å; S1646-Q1692 PolarHBondContact O-OE1 3.15Å; S1646-Q1692 PolarHBondContact OG-NE2 2.86Å; S1646-Q1692 PolarHBondContact OG-OE1 3.32Å |
| 1647 | N | 70.5 | Confident | 66.7 | Low | 35 Ų | 35 | 58.6 Ų | 58.6 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 176.2 | -73.3 | -20.4 | 0 | 0 | 0 | 113.2 | Y1606 S1643 R1644 C1649 L1650 M1651 | Y1606-N1647 WeakPolarHBondContact OH-CB 3.22Å; Y1606-N1647 PolarHBondContact OH-ND2 2.9Å; Y1606-N1647 VanDerWaalsContact OH-ND2 3.11Å; S1643-N1647 PolarHBondContact O-N 3.12Å; S1643-N1647 VanDerWaalsContact O-N 3.07Å; S1643-N1647 PolarHBondContact O-ND2 2.99Å; R1644-N1647 PolarHBondContact O-N 3.03Å; N1647-C1649 VanDerWaalsContact C-N 3.26Å; N1647-C1649 PolarHBondContact O-N 2.95Å; N1647-L1650 PolarHBondContact O-N 3.07Å; N1647-M1651 PolarHBondContact O-N 2.88Å |
| 1648 | L | 69.7 | Low | 65.1 | Low | 12 Ų | 12 | 60.8 Ų | 60.8 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.2 | -29.6 | 173.3 | -90 | 151.3 | 0 | 0 | 0 | 113.2 | E1605 M1612 R1644 V1645 S1646 | E1605-L1648 HydrophobicContact CB-CD1 3.74Å; E1605-L1648 HydrophobicContact CB-CD2 4.1Å; E1605-L1648 HydrophobicContact CB-CG 3.91Å; E1605-L1648 HydrophobicContact CG-CD1 4.15Å; E1605-L1648 HydrophobicContact CG-CG 4.2Å; M1612-L1648 HydrophobicContact CE-CD1 3.93Å; M1612-L1648 HydrophobicContact CG-CD1 3.81Å; R1644-L1648 PolarHBondContact O-N 2.84Å; V1645-L1648 WeakPolarHBondContact O-CB 3.44Å; V1645-L1648 PolarHBondContact O-N 3.21Å; S1646-L1648 VanDerWaalsContact C-N 3.33Å; S1646-L1648 PolarHBondContact O-N 3.15Å |
| 1649 | C | 67.1 | Low | 63.9 | Low | 28 Ų | 28 | 67.4 Ų | 67.4 | 19% | 0.189 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.5 | -35 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | V1645 S1646 N1647 L1667 | V1645-C1649 PolarHBondContact O-N 3.21Å; V1645-C1649 PolarHBondContact O-SG 3.09Å; V1645-C1649 VanDerWaalsContact O-SG 3.35Å; S1646-C1649 WeakPolarHBondContact O-CB 3.42Å; S1646-C1649 PolarHBondContact O-N 3.49Å; S1646-C1649 VanDerWaalsContact O-N 3.09Å; N1647-C1649 VanDerWaalsContact C-N 3.26Å; N1647-C1649 PolarHBondContact O-N 2.95Å; C1649-L1667 VanDerWaalsContact SG-CD2 3.59Å |
| 1650 | L | 61.5 | Low | 63.2 | Low | 98 Ų | 98 | 65.1 Ų | 65.1 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -78.8 | -34.4 | -173.4 | -72.7 | 170.9 | 0 | 0 | 0 | 114.6 | S1646 N1647 F1688 | S1646-L1650 PolarHBondContact O-N 3.27Å; N1647-L1650 PolarHBondContact O-N 3.07Å; L1650-F1688 HydrophobicContact CD1-CZ 4.39Å |
| 1651 | M | 53.4 | Low | 62.3 | Low | 150 Ų | 150 | 62.1 Ų | 62.1 | 74% | 0.739 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -100 | 6.6 | -167.1 | -79.7 | -70.1 | -164.2 | 0 | 0 | 115.9 | N1647 | N1647-M1651 PolarHBondContact O-N 2.88Š|
| 1652 | N | 51.3 | Low | 61.5 | Low | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | trans | -110.3 | 32.9 | -171.3 | -96.6 | -25.7 | 0 | 0 | 0 | 114.8 | N1654 I1655 F1660 | N1652-N1654 PolarHBondContact O-N 2.74Å; N1652-I1655 VanDerWaalsContact OD1-CD1 3.22Å; N1652-I1655 WeakPolarHBondContact OD1-CD1 3.39Å; N1652-F1660 HydrophobicContact CB-CE2 4.02Å; N1652-F1660 HydrophobicContact CB-CZ 3.9Å; N1652-F1660 VanDerWaalsContact O-CZ 3.32Å; N1652-F1660 WeakPolarHBondContact O-CZ 3.37Å | ||
| 1653 | E | 44.9 | Very low | 61.2 | Low | 175 Ų | 175 | 65.3 Ų | 65.3 | 82% | 0.818 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -19 | 173.1 | -69.3 | -171.5 | 163.2 | 0 | 0 | 113.3 | ||
| 1654 | N | 46.1 | Very low | 61.1 | Low | 159 Ų | 159 | 64.9 Ų | 64.9 | 85% | 0.85 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 6.2 | -171.4 | -71.9 | -21.9 | 0 | 0 | 0 | 116.3 | N1652 | N1652-N1654 PolarHBondContact O-N 2.74Š|
| 1655 | I | 50.1 | Low | 61 | Low | 74 Ų | 74 | 64.6 Ų | 64.6 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | trans | -108.9 | 107.2 | 179 | -52.1 | 179.9 | 0 | 0 | 0 | 110 | N1652 F1660 | N1652-I1655 VanDerWaalsContact OD1-CD1 3.22Å; N1652-I1655 WeakPolarHBondContact OD1-CD1 3.39Å; I1655-F1660 HydrophobicContact CB-CD2 3.91Å; I1655-F1660 HydrophobicContact CB-CE2 3.88Å; I1655-F1660 HydrophobicContact CB-CG 4.46Å; I1655-F1660 HydrophobicContact CB-CZ 4.39Å; I1655-F1660 HydrophobicContact CG2-CD2 3.82Å; I1655-F1660 HydrophobicContact CG2-CE2 4.29Å; I1655-F1660 HydrophobicContact CG2-CG 4.27Å; I1655-F1660 WeakPolarHBondContact O-CD1 3.38Å; I1655-F1660 VanDerWaalsContact O-CE1 3.31Å; I1655-F1660 WeakPolarHBondContact O-CE1 3.18Å; I1655-F1660 WeakPolarHBondContact O-CG 3.46Å | ||
| 1656 | S | 43.6 | Very low | 61.1 | Low | 120 Ų | 120 | 67.4 Ų | 67.4 | 84% | 0.839 | 36% | 0.358 | S | S | * | . | trans | -92.5 | 146.2 | 176.2 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1657 | G | 50 | Low | 61.6 | Low | 44 Ų | 44 | 67.5 Ų | 67.5 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 143 | 162.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | F1660 C1661 | G1657-F1660 WeakPolarHBondContact O-CB 3.32Å; G1657-F1660 PolarHBondContact O-N 2.79Å; G1657-C1661 PolarHBondContact O-N 2.84Å; G1657-C1661 PolarHBondContact O-SG 3.41Å; G1657-C1661 VanDerWaalsContact O-SG 3.33Å |
| 1658 | I | 47.9 | Very low | 62.3 | Low | 133 Ų | 133 | 65.9 Ų | 65.9 | 68% | 0.682 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | -177.9 | -67.1 | 168.8 | 0 | 0 | 0 | 112.2 | F1660 C1661 I1662 | I1658-F1660 PolarHBondContact O-N 3.32Å; I1658-C1661 WeakPolarHBondContact O-CB 3.42Å; I1658-C1661 PolarHBondContact O-N 2.86Å; I1658-C1661 VanDerWaalsContact O-N 3.13Å; I1658-I1662 PolarHBondContact O-N 3.21Å |
| 1659 | Q | 56.4 | Low | 62.9 | Low | 152 Ų | 152 | 67 Ų | 67 | 71% | 0.71 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.4 | -39 | 176.4 | -86.5 | 174.8 | -29.5 | 0 | 0 | 111.3 | C1661 I1662 H1663 | Q1659-C1661 VanDerWaalsContact C-N 3.3Å; Q1659-C1661 PolarHBondContact O-N 2.67Å; Q1659-I1662 PolarHBondContact O-N 2.81Å; Q1659-H1663 WeakPolarHBondContact O-CB 3.28Å; Q1659-H1663 PolarHBondContact O-CD2 2.86Å; Q1659-H1663 PolarHBondContact O-N 3.26Å |
| 1660 | F | 65 | Low | 63.7 | Low | 20 Ų | 20 | 65.9 Ų | 65.9 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 178.6 | -176.4 | -102.6 | 0 | 0 | 0 | 112.6 | W1613 N1652 I1655 G1657 I1658 H1663 R1664 | W1613-F1660 HydrophobicContact CZ2-CD2 4.36Å; W1613-F1660 HydrophobicContact CZ2-CE2 4.1Å; N1652-F1660 HydrophobicContact CB-CE2 4.02Å; N1652-F1660 HydrophobicContact CB-CZ 3.9Å; N1652-F1660 VanDerWaalsContact O-CZ 3.32Å; N1652-F1660 WeakPolarHBondContact O-CZ 3.37Å; I1655-F1660 HydrophobicContact CB-CD2 3.91Å; I1655-F1660 HydrophobicContact CB-CE2 3.88Å; I1655-F1660 HydrophobicContact CB-CG 4.46Å; I1655-F1660 HydrophobicContact CB-CZ 4.39Å; I1655-F1660 HydrophobicContact CG2-CD2 3.82Å; I1655-F1660 HydrophobicContact CG2-CE2 4.29Å; I1655-F1660 HydrophobicContact CG2-CG 4.27Å; I1655-F1660 WeakPolarHBondContact O-CD1 3.38Å; I1655-F1660 VanDerWaalsContact O-CE1 3.31Å; I1655-F1660 WeakPolarHBondContact O-CE1 3.18Å; I1655-F1660 WeakPolarHBondContact O-CG 3.46Å; G1657-F1660 WeakPolarHBondContact O-CB 3.32Å; G1657-F1660 PolarHBondContact O-N 2.79Å; I1658-F1660 PolarHBondContact O-N 3.32Å; F1660-H1663 PolarHBondContact O-N 3.3Å; F1660-R1664 HydrophobicContact CE1-CG 4.2Å; F1660-R1664 VanDerWaalsContact CE1-CZ 3.48Å; F1660-R1664 HydrophobicContact CZ-CG 4.34Å; F1660-R1664 PolarHBondContact O-N 3.01Å |
| 1661 | C | 61.4 | Low | 64.9 | Low | 20 Ų | 20 | 61.2 Ų | 61.2 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.1 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | G1657 I1658 Q1659 H1663 R1664 S1665 H1705 S1709 | G1657-C1661 PolarHBondContact O-N 2.84Å; G1657-C1661 PolarHBondContact O-SG 3.41Å; G1657-C1661 VanDerWaalsContact O-SG 3.33Å; I1658-C1661 WeakPolarHBondContact O-CB 3.42Å; I1658-C1661 PolarHBondContact O-N 2.86Å; I1658-C1661 VanDerWaalsContact O-N 3.13Å; Q1659-C1661 VanDerWaalsContact C-N 3.3Å; Q1659-C1661 PolarHBondContact O-N 2.67Å; C1661-H1663 VanDerWaalsContact C-N 3.3Å; C1661-H1663 PolarHBondContact O-N 3.07Å; C1661-R1664 PolarHBondContact O-N 3.11Å; C1661-S1665 PolarHBondContact O-N 3.12Å; C1661-S1665 VanDerWaalsContact O-N 3.12Å; C1661-H1705 PolarHBondContact SG-ND1 2.68Å; C1661-S1709 PolarHBondContact O-OG 3.26Å |
| 1662 | I | 63.3 | Low | 66.4 | Low | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.205 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.4 | -64.1 | 172.3 | 0 | 0 | 0 | 109.7 | I1658 Q1659 R1664 S1665 R1666 | I1658-I1662 PolarHBondContact O-N 3.21Å; Q1659-I1662 PolarHBondContact O-N 2.81Å; I1662-R1664 PolarHBondContact O-N 3.32Å; I1662-S1665 PolarHBondContact O-N 3.24Å; I1662-S1665 PolarHBondContact O-OG 2.86Å; I1662-R1666 WeakPolarHBondContact O-CG 3.42Å; I1662-R1666 PolarHBondContact O-N 3.27Å |
| 1663 | H | 73.2 | Confident | 67.9 | Low | 28 Ų | 28 | 53.5 Ų | 53.5 | 13% | 0.13 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.6 | -79 | -51.2 | 0 | 0 | 0 | 113.5 | W1613 Q1659 F1660 C1661 R1666 L1667 | W1613-H1663 HydrophobicContact CD2-CB 3.84Å; W1613-H1663 AromaticContact CD2-CG 3.8Å; W1613-H1663 HydrophobicContact CE3-CB 3.4Å; W1613-H1663 VanDerWaalsContact CE3-CB 3.4Å; W1613-H1663 AromaticContact CE3-CG 3.65Å; W1613-H1663 AromaticContact CE3-ND1 3.73Å; W1613-H1663 HydrophobicContact CH2-CB 4.06Å; W1613-H1663 HydrophobicContact CZ2-CB 4.41Å; W1613-H1663 HydrophobicContact CZ3-CB 3.55Å; Q1659-H1663 WeakPolarHBondContact O-CB 3.28Å; Q1659-H1663 PolarHBondContact O-CD2 2.86Å; Q1659-H1663 PolarHBondContact O-N 3.26Å; F1660-H1663 PolarHBondContact O-N 3.3Å; C1661-H1663 VanDerWaalsContact C-N 3.3Å; C1661-H1663 PolarHBondContact O-N 3.07Å; H1663-R1666 PolarHBondContact CE1-NH1 3.39Å; H1663-R1666 WeakPolarHBondContact O-CB 3.46Å; H1663-R1666 PolarHBondContact O-N 2.98Å; H1663-L1667 WeakPolarHBondContact O-CB 3.39Å; H1663-L1667 PolarHBondContact O-N 3.13Å |
| 1664 | R | 77.6 | Confident | 69.7 | Low | 38 Ų | 38 | 45.2 Ų | 45.2 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 172.1 | -79.8 | -171.3 | 169 | -175 | -0.8 | 112.8 | F1660 C1661 I1662 R1666 L1667 L1668 L1696 D1699 | F1660-R1664 HydrophobicContact CE1-CG 4.2Å; F1660-R1664 VanDerWaalsContact CE1-CZ 3.48Å; F1660-R1664 HydrophobicContact CZ-CG 4.34Å; F1660-R1664 PolarHBondContact O-N 3.01Å; C1661-R1664 PolarHBondContact O-N 3.11Å; I1662-R1664 PolarHBondContact O-N 3.32Å; R1664-R1666 VanDerWaalsContact C-N 3.29Å; R1664-R1666 PolarHBondContact O-N 3.49Å; R1664-L1667 WeakPolarHBondContact O-CB 3.29Å; R1664-L1667 PolarHBondContact O-N 3.37Å; R1664-L1668 WeakPolarHBondContact O-CB 3.32Å; R1664-L1668 PolarHBondContact O-N 3.28Å; R1664-L1696 HydrophobicContact CB-CD1 4.11Å; R1664-L1696 HydrophobicContact CG-CD1 4.04Å; R1664-D1699 IonicContact NH1-OD2 3.22Å; R1664-D1699 PolarHBondContact NH1-OD2 3.41Å; R1664-D1699 VanDerWaalsContact NH1-OD2 3.12Å |
| 1665 | S | 77.6 | Confident | 71.4 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.5 | -33.3 | 177 | 81.7 | 0 | 0 | 0 | 0 | 112.7 | C1661 I1662 Y1669 | C1661-S1665 PolarHBondContact O-N 3.12Å; C1661-S1665 VanDerWaalsContact O-N 3.12Å; I1662-S1665 PolarHBondContact O-N 3.24Å; I1662-S1665 PolarHBondContact O-OG 2.86Å; S1665-Y1669 PolarHBondContact O-N 2.95Å; S1665-Y1669 VanDerWaalsContact O-N 3.14Å |
| 1666 | R | 78.8 | Confident | 72.7 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 23% | 0.226 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.2 | -41 | 174 | -68.5 | 177 | 173.6 | 163.5 | -17 | 111.4 | E1617 N1620 I1662 H1663 R1664 Y1669 F1670 | E1617-R1666 VanDerWaalsContact CG-NH1 3.28Å; E1617-R1666 IonicContact OE1-CZ 2.89Å; E1617-R1666 IonicContact OE1-NH1 3.22Å; E1617-R1666 PolarHBondContact OE1-NH1 3.47Å; E1617-R1666 IonicContact OE1-NH2 3.18Å; E1617-R1666 PolarHBondContact OE1-NH2 3.01Å; N1620-R1666 WeakPolarHBondContact ND2-CB 3.46Å; N1620-R1666 VanDerWaalsContact ND2-CG 3.27Å; N1620-R1666 WeakPolarHBondContact ND2-CG 3.16Å; I1662-R1666 WeakPolarHBondContact O-CG 3.42Å; I1662-R1666 PolarHBondContact O-N 3.27Å; H1663-R1666 PolarHBondContact CE1-NH1 3.39Å; H1663-R1666 WeakPolarHBondContact O-CB 3.46Å; H1663-R1666 PolarHBondContact O-N 2.98Å; R1664-R1666 VanDerWaalsContact C-N 3.29Å; R1664-R1666 PolarHBondContact O-N 3.49Å; R1666-Y1669 PolarHBondContact O-N 3.01Å; R1666-F1670 PolarHBondContact O-N 3.17Å |
| 1667 | L | 83.5 | Confident | 74.3 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 174 | -171 | 72.1 | 0 | 0 | 0 | 111.1 | W1613 L1616 V1645 C1649 H1663 R1664 Y1669 F1670 M1671 L1696 | W1613-L1667 HydrophobicContact CH2-CD2 4.47Å; W1613-L1667 HydrophobicContact CZ3-CB 4.39Å; L1616-L1667 HydrophobicContact CD1-CD1 4.02Å; V1645-L1667 HydrophobicContact CG1-CD1 3.82Å; V1645-L1667 HydrophobicContact CG1-CG 4.28Å; C1649-L1667 VanDerWaalsContact SG-CD2 3.59Å; H1663-L1667 WeakPolarHBondContact O-CB 3.39Å; H1663-L1667 PolarHBondContact O-N 3.13Å; R1664-L1667 WeakPolarHBondContact O-CB 3.29Å; R1664-L1667 PolarHBondContact O-N 3.37Å; L1667-Y1669 VanDerWaalsContact C-N 3.34Å; L1667-Y1669 PolarHBondContact O-N 2.96Å; L1667-F1670 PolarHBondContact O-N 2.88Å; L1667-M1671 WeakPolarHBondContact O-CB 3.49Å; L1667-M1671 PolarHBondContact O-N 3.46Å; L1667-L1696 HydrophobicContact CB-CD2 4.31Å; L1667-L1696 HydrophobicContact CD2-CD2 4.11Å; L1667-L1696 HydrophobicContact CG-CD2 4.25Å |
| 1668 | L | 85.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 176.1 | -179.6 | 65.3 | 0 | 0 | 0 | 111.8 | R1664 M1671 T1672 W1693 L1696 L1697 C1700 A1713 | R1664-L1668 WeakPolarHBondContact O-CB 3.32Å; R1664-L1668 PolarHBondContact O-N 3.28Å; L1668-M1671 PolarHBondContact O-N 2.98Å; L1668-T1672 WeakPolarHBondContact O-CB 3.31Å; L1668-T1672 PolarHBondContact O-N 3.14Å; L1668-T1672 PolarHBondContact O-OG1 3.18Å; L1668-W1693 HydrophobicContact CD1-CD2 4.44Å; L1668-W1693 HydrophobicContact CD1-CG 4.19Å; L1668-L1696 HydrophobicContact CB-CD2 3.69Å; L1668-L1696 HydrophobicContact CB-CG 4.2Å; L1668-L1696 HydrophobicContact CD1-CB 4.2Å; L1668-L1696 HydrophobicContact CD1-CD2 4.11Å; L1668-L1696 HydrophobicContact CD1-CG 4.31Å; L1668-L1696 HydrophobicContact CG-CD2 4.49Å; L1668-L1697 HydrophobicContact CD1-CB 4.21Å; L1668-L1697 HydrophobicContact CD2-CB 4.33Å; L1668-L1697 HydrophobicContact CD2-CD1 3.95Å; L1668-C1700 HydrophobicContact CD2-CB 4.3Å; L1668-A1713 HydrophobicContact CD2-CB 3.67Å |
| 1669 | Y | 82.9 | Confident | 76.6 | Confident | 35 Ų | 35 | 27.4 Ų | 27.4 | 14% | 0.137 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 176.9 | -171.6 | -98.9 | 0 | 0 | 0 | 111.9 | N1620 N1624 S1665 R1666 L1667 T1672 C1673 S1716 L1719 | N1620-Y1669 WeakPolarHBondContact OD1-CD1 3.41Å; N1624-Y1669 PolarHBondContact OD1-OH 2.93Å; S1665-Y1669 PolarHBondContact O-N 2.95Å; S1665-Y1669 VanDerWaalsContact O-N 3.14Å; R1666-Y1669 PolarHBondContact O-N 3.01Å; L1667-Y1669 VanDerWaalsContact C-N 3.34Å; L1667-Y1669 PolarHBondContact O-N 2.96Å; Y1669-T1672 WeakPolarHBondContact O-CB 3.46Å; Y1669-T1672 PolarHBondContact O-N 2.86Å; Y1669-C1673 PolarHBondContact O-N 3.04Å; Y1669-C1673 VanDerWaalsContact O-N 3.08Å; Y1669-C1673 PolarHBondContact O-SG 3.12Å; Y1669-S1716 VanDerWaalsContact CA-OG 3.31Å; Y1669-S1716 WeakPolarHBondContact CA-OG 3.32Å; Y1669-S1716 PolarHBondContact N-OG 3.39Å; Y1669-L1719 HydrophobicContact CD2-CD1 4.37Å; Y1669-L1719 HydrophobicContact CE2-CD1 3.39Å; Y1669-L1719 WeakPolarHBondContact OH-CD1 3.13Å |
| 1670 | F | 83.8 | Confident | 76.9 | Confident | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 177.1 | -174.9 | -122.3 | 0 | 0 | 0 | 112.1 | W1576 L1616 V1645 R1666 L1667 T1672 C1673 L1674 | W1576-F1670 HydrophobicContact CH2-CE1 4.25Å; W1576-F1670 HydrophobicContact CZ3-CE1 4.18Å; W1576-F1670 HydrophobicContact CZ3-CZ 4.36Å; L1616-F1670 HydrophobicContact CD2-CB 4.04Å; L1616-F1670 HydrophobicContact CD2-CD1 3.96Å; L1616-F1670 HydrophobicContact CD2-CG 4.11Å; V1645-F1670 HydrophobicContact CG2-CD1 3.75Å; V1645-F1670 HydrophobicContact CG2-CE1 3.6Å; R1666-F1670 PolarHBondContact O-N 3.17Å; L1667-F1670 PolarHBondContact O-N 2.88Å; F1670-T1672 VanDerWaalsContact C-N 3.27Å; F1670-T1672 PolarHBondContact O-N 3.13Å; F1670-C1673 WeakPolarHBondContact O-CB 3.43Å; F1670-C1673 PolarHBondContact O-N 3.26Å; F1670-C1673 VanDerWaalsContact O-N 3.11Å; F1670-L1674 HydrophobicContact CD1-CD1 4.07Å; F1670-L1674 HydrophobicContact CE1-CD1 3.68Å; F1670-L1674 HydrophobicContact CE1-CG 4.45Å; F1670-L1674 HydrophobicContact CE2-CG 4.44Å; F1670-L1674 HydrophobicContact CZ-CD1 3.92Å; F1670-L1674 HydrophobicContact CZ-CD2 4.34Å; F1670-L1674 HydrophobicContact CZ-CG 4.29Å; F1670-L1674 PolarHBondContact O-N 2.68Å |
| 1671 | M | 86.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 176 | -165.3 | 178.8 | -169.5 | 0 | 0 | 111.7 | L1642 V1645 L1667 L1668 L1674 L1675 Y1689 Q1692 W1693 | L1642-M1671 HydrophobicContact CD2-CE 4.38Å; L1642-M1671 HydrophobicContact CD2-CG 3.9Å; V1645-M1671 HydrophobicContact CG1-CB 4.04Å; V1645-M1671 HydrophobicContact CG1-CG 4.13Å; L1667-M1671 WeakPolarHBondContact O-CB 3.49Å; L1667-M1671 PolarHBondContact O-N 3.46Å; L1668-M1671 PolarHBondContact O-N 2.98Å; M1671-L1674 PolarHBondContact O-N 3.36Å; M1671-L1675 HydrophobicContact CG-CD1 4.3Å; M1671-L1675 WeakPolarHBondContact O-CB 3.36Å; M1671-L1675 WeakPolarHBondContact O-CG 3.38Å; M1671-L1675 PolarHBondContact O-N 3.33Å; M1671-Y1689 WeakPolarHBondContact CE-O 3.4Å; M1671-Q1692 HydrophobicContact CE-CB 4.05Å; M1671-W1693 HydrophobicContact CE-CB 4.34Å; M1671-W1693 HydrophobicContact SD-CB 4.08Å |
| 1672 | T | 85.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 174 | -56 | 0 | 0 | 0 | 0 | 111.6 | L1668 Y1669 F1670 L1674 L1675 N1676 W1693 S1716 L1719 W1720 | L1668-T1672 WeakPolarHBondContact O-CB 3.31Å; L1668-T1672 PolarHBondContact O-N 3.14Å; L1668-T1672 PolarHBondContact O-OG1 3.18Å; Y1669-T1672 WeakPolarHBondContact O-CB 3.46Å; Y1669-T1672 PolarHBondContact O-N 2.86Å; F1670-T1672 VanDerWaalsContact C-N 3.27Å; F1670-T1672 PolarHBondContact O-N 3.13Å; T1672-L1674 VanDerWaalsContact C-N 3.31Å; T1672-L1674 PolarHBondContact O-N 2.95Å; T1672-L1675 PolarHBondContact O-N 3.42Å; T1672-N1676 WeakPolarHBondContact O-CB 3.47Å; T1672-N1676 PolarHBondContact O-N 3.27Å; T1672-W1693 PolarHBondContact OG1-NE1 3.02Å; T1672-S1716 WeakPolarHBondContact CG2-O 3.47Å; T1672-L1719 HydrophobicContact CG2-CB 4.01Å; T1672-W1720 HydrophobicContact CG2-CB 3.92Å |
| 1673 | C | 82.4 | Confident | 77.1 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 8% | 0.081 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | M1629 Y1669 F1670 C1677 | M1629-C1673 HydrophobicContact CE-CB 3.57Å; M1629-C1673 HydrophobicContact SD-CB 4.07Å; Y1669-C1673 PolarHBondContact O-N 3.04Å; Y1669-C1673 VanDerWaalsContact O-N 3.08Å; Y1669-C1673 PolarHBondContact O-SG 3.12Å; F1670-C1673 WeakPolarHBondContact O-CB 3.43Å; F1670-C1673 PolarHBondContact O-N 3.26Å; F1670-C1673 VanDerWaalsContact O-N 3.11Å; C1673-C1677 PolarHBondContact O-N 2.73Å; C1673-C1677 PolarHBondContact O-SG 3.19Å |
| 1674 | L | 83 | Confident | 76.9 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.7 | -41.3 | 177.3 | -63.8 | 172.5 | 0 | 0 | 0 | 112.7 | V1638 L1641 L1642 V1645 F1670 M1671 T1672 N1676 C1677 L1678 | V1638-L1674 HydrophobicContact CG1-CB 4.36Å; V1638-L1674 HydrophobicContact CG1-CD2 4.25Å; L1641-L1674 HydrophobicContact CB-CD1 4.21Å; L1641-L1674 HydrophobicContact CB-CD2 4.33Å; L1641-L1674 HydrophobicContact CD1-CD2 4.39Å; L1642-L1674 HydrophobicContact CD1-CB 3.86Å; L1642-L1674 HydrophobicContact CD2-CB 3.88Å; L1642-L1674 HydrophobicContact CD2-CD1 4.37Å; L1642-L1674 HydrophobicContact CG-CB 3.6Å; L1642-L1674 HydrophobicContact CG-CD1 4.06Å; L1642-L1674 HydrophobicContact CG-CG 4.46Å; V1645-L1674 HydrophobicContact CG2-CD1 4.03Å; F1670-L1674 HydrophobicContact CD1-CD1 4.07Å; F1670-L1674 HydrophobicContact CE1-CD1 3.68Å; F1670-L1674 HydrophobicContact CE1-CG 4.45Å; F1670-L1674 HydrophobicContact CE2-CG 4.44Å; F1670-L1674 HydrophobicContact CZ-CD1 3.92Å; F1670-L1674 HydrophobicContact CZ-CD2 4.34Å; F1670-L1674 HydrophobicContact CZ-CG 4.29Å; F1670-L1674 PolarHBondContact O-N 2.68Å; M1671-L1674 PolarHBondContact O-N 3.36Å; T1672-L1674 VanDerWaalsContact C-N 3.31Å; T1672-L1674 PolarHBondContact O-N 2.95Å; L1674-N1676 PolarHBondContact O-N 3.34Å; L1674-C1677 WeakPolarHBondContact O-CA 3.36Å; L1674-C1677 WeakPolarHBondContact O-CB 3.16Å; L1674-C1677 PolarHBondContact O-N 3.29Å; L1674-L1678 PolarHBondContact O-N 3.09Å |
| 1675 | L | 82 | Confident | 76.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -35.2 | 175.6 | -80.7 | 170.1 | 0 | 0 | 0 | 111.9 | L1642 M1671 T1672 C1677 L1678 Y1686 M1690 W1693 Q1723 | L1642-L1675 HydrophobicContact CD1-CD2 4.49Å; L1642-L1675 HydrophobicContact CD2-CD2 4.36Å; L1642-L1675 HydrophobicContact CD2-CG 4.15Å; M1671-L1675 HydrophobicContact CG-CD1 4.3Å; M1671-L1675 WeakPolarHBondContact O-CB 3.36Å; M1671-L1675 WeakPolarHBondContact O-CG 3.38Å; M1671-L1675 PolarHBondContact O-N 3.33Å; T1672-L1675 PolarHBondContact O-N 3.42Å; L1675-C1677 PolarHBondContact O-N 3.47Å; L1675-L1678 PolarHBondContact O-N 3.33Å; L1675-L1678 VanDerWaalsContact O-N 3.13Å; L1675-Y1686 HydrophobicContact CD2-CE2 4.31Å; L1675-M1690 HydrophobicContact CD1-SD 4.1Å; L1675-M1690 HydrophobicContact CD2-SD 4.41Å; L1675-W1693 HydrophobicContact CD1-CB 3.79Å; L1675-W1693 HydrophobicContact CD1-CD2 4.44Å; L1675-W1693 HydrophobicContact CD1-CG 3.67Å; L1675-Q1723 PolarHBondContact O-NE2 3.36Å |
| 1676 | N | 78.1 | Confident | 77 | Confident | 50 Ų | 50 | 41.2 Ų | 41.2 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.8 | -21.5 | 174.2 | -78.2 | -9.5 | 0 | 0 | 0 | 113 | T1672 L1674 L1719 | T1672-N1676 WeakPolarHBondContact O-CB 3.47Å; T1672-N1676 PolarHBondContact O-N 3.27Å; L1674-N1676 PolarHBondContact O-N 3.34Å; N1676-L1719 PolarHBondContact ND2-O 3.47Å |
| 1677 | C | 77.1 | Confident | 77 | Confident | 31 Ų | 31 | 41.1 Ų | 41.1 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -85.1 | -11.8 | 173.7 | -65.8 | 0 | 0 | 0 | 0 | 113.2 | Q1633 V1638 C1673 L1674 L1675 | Q1633-C1677 PolarHBondContact NE2-O 3.43Å; V1638-C1677 HydrophobicContact CG1-CB 3.89Å; V1638-C1677 HydrophobicContact CG2-CB 4.23Å; C1673-C1677 PolarHBondContact O-N 2.73Å; C1673-C1677 PolarHBondContact O-SG 3.19Å; L1674-C1677 WeakPolarHBondContact O-CA 3.36Å; L1674-C1677 WeakPolarHBondContact O-CB 3.16Å; L1674-C1677 PolarHBondContact O-N 3.29Å; L1675-C1677 PolarHBondContact O-N 3.47Å |
| 1678 | L | 76.1 | Confident | 77 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.12 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -93.6 | 142.1 | 174.4 | -76.9 | -178.3 | 0 | 0 | 0 | 111.7 | V1638 L1642 L1674 L1675 Y1686 Y1689 Q1723 | V1638-L1678 HydrophobicContact CG1-CD2 4.44Å; V1638-L1678 HydrophobicContact CG1-CG 4.26Å; L1642-L1678 HydrophobicContact CD1-CD1 3.18Å; L1642-L1678 HydrophobicContact CD1-CG 3.73Å; L1674-L1678 PolarHBondContact O-N 3.09Å; L1675-L1678 PolarHBondContact O-N 3.33Å; L1675-L1678 VanDerWaalsContact O-N 3.13Å; L1678-Y1686 HydrophobicContact CB-CD2 4.48Å; L1678-Y1689 HydrophobicContact CD1-CD2 4.41Å; L1678-Q1723 PolarHBondContact O-NE2 3.49Å |
| 1679 | S | 69.2 | Low | 77 | Confident | 53 Ų | 53 | 46.2 Ų | 46.2 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | trans | -87.3 | 124.4 | 170.2 | 150.7 | 0 | 0 | 0 | 0 | 110.1 | L1681 T1682 S1683 | S1679-L1681 PolarHBondContact O-N 3.03Å; S1679-T1682 WeakPolarHBondContact CB-OG1 3.43Å; S1679-T1682 PolarHBondContact O-N 3.13Å; S1679-T1682 PolarHBondContact O-OG1 3.37Å; S1679-T1682 VanDerWaalsContact O-OG1 3.11Å; S1679-T1682 PolarHBondContact OG-OG1 2.95Å; S1679-S1683 PolarHBondContact O-N 3.38Å | ||
| 1680 | P | 63.4 | Low | 77.1 | Confident | 42 Ų | 42 | 44.6 Ų | 44.6 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -31.9 | -178.9 | -20.3 | 28.8 | 0 | 0 | 0 | 113.7 | T1682 Y1686 V1745 | P1680-T1682 VanDerWaalsContact C-N 3.34Å; P1680-Y1686 HydrophobicContact CB-CD1 4.13Å; P1680-Y1686 HydrophobicContact CB-CD2 4.31Å; P1680-Y1686 HydrophobicContact CB-CE1 3.9Å; P1680-Y1686 HydrophobicContact CB-CE2 4.07Å; P1680-Y1686 HydrophobicContact CB-CG 4.34Å; P1680-Y1686 HydrophobicContact CG-CE1 4.3Å; P1680-Y1686 HydrophobicContact CG-CE2 3.99Å; P1680-V1745 HydrophobicContact CB-CG1 4.18Å; P1680-V1745 HydrophobicContact CB-CG2 4.06Å; P1680-V1745 HydrophobicContact CG-CG2 4.46Å |
| 1681 | L | 62.3 | Low | 77.2 | Confident | 160 Ų | 160 | 47.5 Ų | 47.5 | 84% | 0.838 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -12.9 | -174.9 | -70 | 164.4 | 0 | 0 | 0 | 113.5 | S1679 | S1679-L1681 PolarHBondContact O-N 3.03Š|
| 1682 | T | 63 | Low | 77 | Confident | 110 Ų | 110 | 48.3 Ų | 48.3 | 68% | 0.675 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -23.7 | -171.4 | 50.5 | 0 | 0 | 0 | 0 | 114 | S1679 P1680 | S1679-T1682 WeakPolarHBondContact CB-OG1 3.43Å; S1679-T1682 PolarHBondContact O-N 3.13Å; S1679-T1682 PolarHBondContact O-OG1 3.37Å; S1679-T1682 VanDerWaalsContact O-OG1 3.11Å; S1679-T1682 PolarHBondContact OG-OG1 2.95Å; P1680-T1682 VanDerWaalsContact C-N 3.34Å |
| 1683 | S | 67.6 | Low | 77.2 | Confident | 14 Ų | 14 | 48.3 Ų | 48.3 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | trans | -88.8 | 120.7 | 179 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | E1639 S1679 N1685 Y1686 | E1639-S1683 PolarHBondContact OE1-OG 2.96Å; S1679-S1683 PolarHBondContact O-N 3.38Å; S1683-N1685 PolarHBondContact O-N 3.32Å; S1683-N1685 PolarHBondContact OG-N 3.26Å; S1683-Y1686 PolarHBondContact O-N 2.98Å; S1683-Y1686 PolarHBondContact OG-N 3Å | ||
| 1684 | L | 69.8 | Low | 77.4 | Confident | 175 Ų | 175 | 47.8 Ų | 47.8 | 92% | 0.916 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.6 | 173.6 | -84.7 | 137.2 | 0 | 0 | 0 | 112.6 | ||
| 1685 | N | 75.9 | Confident | 77.5 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 5.7 | -174.1 | -68.6 | -29.9 | 0 | 0 | 0 | 113.9 | S1683 S1687 F1688 Y1689 | S1683-N1685 PolarHBondContact O-N 3.32Å; S1683-N1685 PolarHBondContact OG-N 3.26Å; N1685-S1687 VanDerWaalsContact C-N 3.28Å; N1685-S1687 PolarHBondContact O-N 2.76Å; N1685-F1688 WeakPolarHBondContact O-CB 3.4Å; N1685-F1688 PolarHBondContact O-N 2.99Å; N1685-Y1689 HydrophobicContact CB-CD2 4.22Å; N1685-Y1689 HydrophobicContact CB-CE2 3.62Å; N1685-Y1689 VanDerWaalsContact O-CD2 3.27Å; N1685-Y1689 WeakPolarHBondContact O-CD2 3.49Å; N1685-Y1689 PolarHBondContact O-N 2.81Å |
| 1686 | Y | 80.3 | Confident | 77.6 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.6 | -43.1 | -176.4 | -171.4 | -91.4 | 0 | 0 | 0 | 112.5 | L1675 L1678 P1680 S1683 F1688 Y1689 M1690 Q1723 V1745 | L1675-Y1686 HydrophobicContact CD2-CE2 4.31Å; L1678-Y1686 HydrophobicContact CB-CD2 4.48Å; P1680-Y1686 HydrophobicContact CB-CD1 4.13Å; P1680-Y1686 HydrophobicContact CB-CD2 4.31Å; P1680-Y1686 HydrophobicContact CB-CE1 3.9Å; P1680-Y1686 HydrophobicContact CB-CE2 4.07Å; P1680-Y1686 HydrophobicContact CB-CG 4.34Å; P1680-Y1686 HydrophobicContact CG-CE1 4.3Å; P1680-Y1686 HydrophobicContact CG-CE2 3.99Å; S1683-Y1686 PolarHBondContact O-N 2.98Å; S1683-Y1686 PolarHBondContact OG-N 3Å; Y1686-F1688 VanDerWaalsContact C-N 3.31Å; Y1686-F1688 PolarHBondContact O-N 3Å; Y1686-Y1689 PolarHBondContact O-N 3.49Å; Y1686-M1690 HydrophobicContact CD1-CG 3.69Å; Y1686-M1690 HydrophobicContact CE1-CG 3.3Å; Y1686-M1690 HydrophobicContact CE1-SD 3.98Å; Y1686-M1690 WeakPolarHBondContact O-CB 3.06Å; Y1686-M1690 WeakPolarHBondContact O-CG 3.11Å; Y1686-M1690 PolarHBondContact O-N 3.42Å; Y1686-Q1723 PolarHBondContact OH-OE1 2.78Å; Y1686-V1745 HydrophobicContact CD1-CG1 4.33Å; Y1686-V1745 HydrophobicContact CE1-CG1 3.55Å |
| 1687 | S | 80.8 | Confident | 78.1 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 178.2 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | N1685 M1690 N1691 Q1750 | N1685-S1687 VanDerWaalsContact C-N 3.28Å; N1685-S1687 PolarHBondContact O-N 2.76Å; S1687-M1690 PolarHBondContact O-N 2.7Å; S1687-N1691 PolarHBondContact O-N 3.27Å; S1687-N1691 PolarHBondContact O-ND2 3.4Å; S1687-Q1750 PolarHBondContact O-NE2 3.14Å; S1687-Q1750 PolarHBondContact OG-NE2 3.44Å |
| 1688 | F | 83.2 | Confident | 78.5 | Confident | 99 Ų | 99 | 47.9 Ų | 47.9 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 176.6 | 173 | -100.2 | 0 | 0 | 0 | 111.7 | S1646 L1650 N1685 Y1686 M1690 N1691 Q1692 | S1646-F1688 WeakPolarHBondContact OG-CE1 3.41Å; L1650-F1688 HydrophobicContact CD1-CZ 4.39Å; N1685-F1688 WeakPolarHBondContact O-CB 3.4Å; N1685-F1688 PolarHBondContact O-N 2.99Å; Y1686-F1688 VanDerWaalsContact C-N 3.31Å; Y1686-F1688 PolarHBondContact O-N 3Å; F1688-M1690 VanDerWaalsContact C-N 3.32Å; F1688-M1690 PolarHBondContact O-N 3.07Å; F1688-N1691 PolarHBondContact O-N 3.38Å; F1688-Q1692 PolarHBondContact O-N 2.74Å |
| 1689 | Y | 84.8 | Confident | 78.8 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -35.6 | 177.7 | -58.9 | -53 | 0 | 0 | 0 | 112.3 | E1639 L1642 M1671 L1678 N1685 Y1686 Q1692 W1693 | E1639-Y1689 HydrophobicContact CG-CE2 4.33Å; L1642-Y1689 HydrophobicContact CB-CE1 4.43Å; M1671-Y1689 WeakPolarHBondContact CE-O 3.4Å; L1678-Y1689 HydrophobicContact CD1-CD2 4.41Å; N1685-Y1689 HydrophobicContact CB-CD2 4.22Å; N1685-Y1689 HydrophobicContact CB-CE2 3.62Å; N1685-Y1689 VanDerWaalsContact O-CD2 3.27Å; N1685-Y1689 WeakPolarHBondContact O-CD2 3.49Å; N1685-Y1689 PolarHBondContact O-N 2.81Å; Y1686-Y1689 PolarHBondContact O-N 3.49Å; Y1689-Q1692 PolarHBondContact O-N 3.39Å; Y1689-W1693 WeakPolarHBondContact O-CB 3.45Å; Y1689-W1693 PolarHBondContact O-N 2.99Å |
| 1690 | M | 85.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 175.1 | -78.5 | -55 | -64.9 | 0 | 0 | 112.9 | L1675 Y1686 S1687 F1688 Q1692 W1693 L1694 W1720 L1746 | L1675-M1690 HydrophobicContact CD1-SD 4.1Å; L1675-M1690 HydrophobicContact CD2-SD 4.41Å; Y1686-M1690 HydrophobicContact CD1-CG 3.69Å; Y1686-M1690 HydrophobicContact CE1-CG 3.3Å; Y1686-M1690 HydrophobicContact CE1-SD 3.98Å; Y1686-M1690 WeakPolarHBondContact O-CB 3.06Å; Y1686-M1690 WeakPolarHBondContact O-CG 3.11Å; Y1686-M1690 PolarHBondContact O-N 3.42Å; S1687-M1690 PolarHBondContact O-N 2.7Å; F1688-M1690 VanDerWaalsContact C-N 3.32Å; F1688-M1690 PolarHBondContact O-N 3.07Å; M1690-Q1692 VanDerWaalsContact C-N 3.33Å; M1690-Q1692 PolarHBondContact O-N 2.86Å; M1690-W1693 HydrophobicContact CE-CE3 4.06Å; M1690-W1693 HydrophobicContact CE-CZ3 4.36Å; M1690-W1693 PolarHBondContact O-N 3.38Å; M1690-L1694 WeakPolarHBondContact O-CB 3.14Å; M1690-L1694 WeakPolarHBondContact O-CG 3.01Å; M1690-L1694 PolarHBondContact O-N 3.34Å; M1690-W1720 HydrophobicContact CE-CH2 4.25Å; M1690-W1720 HydrophobicContact CE-CZ2 3.34Å; M1690-W1720 HydrophobicContact SD-CZ2 4.44Å; M1690-L1746 HydrophobicContact CE-CD2 3.91Å |
| 1691 | N | 84.2 | Confident | 80.5 | Confident | 68 Ų | 68 | 45 Ų | 45 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.5 | -80 | -29.2 | 0 | 0 | 0 | 112.2 | S1687 F1688 S1695 Q1750 | S1687-N1691 PolarHBondContact O-N 3.27Å; S1687-N1691 PolarHBondContact O-ND2 3.4Å; F1688-N1691 PolarHBondContact O-N 3.38Å; N1691-S1695 PolarHBondContact O-N 2.88Å; N1691-Q1750 VanDerWaalsContact OD1-CG 3.32Å; N1691-Q1750 WeakPolarHBondContact OD1-CG 3.5Å; N1691-Q1750 PolarHBondContact OD1-NE2 2.89Å |
| 1692 | Q | 83.1 | Confident | 81.4 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -42.3 | 176.9 | -69.8 | -173.1 | -8.8 | 0 | 0 | 112.6 | S1646 M1671 F1688 Y1689 M1690 L1694 S1695 L1696 | S1646-Q1692 PolarHBondContact O-OE1 3.15Å; S1646-Q1692 PolarHBondContact OG-NE2 2.86Å; S1646-Q1692 PolarHBondContact OG-OE1 3.32Å; M1671-Q1692 HydrophobicContact CE-CB 4.05Å; F1688-Q1692 PolarHBondContact O-N 2.74Å; Y1689-Q1692 PolarHBondContact O-N 3.39Å; M1690-Q1692 VanDerWaalsContact C-N 3.33Å; M1690-Q1692 PolarHBondContact O-N 2.86Å; Q1692-L1694 PolarHBondContact O-N 2.73Å; Q1692-S1695 WeakPolarHBondContact O-CB 3.08Å; Q1692-S1695 PolarHBondContact O-N 3.01Å; Q1692-L1696 PolarHBondContact O-N 2.94Å |
| 1693 | W | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 175.8 | -179.4 | 90.2 | 0 | 0 | 0 | 111.6 | L1668 M1671 T1672 L1675 Y1689 M1690 S1695 L1696 L1697 L1717 W1720 | L1668-W1693 HydrophobicContact CD1-CD2 4.44Å; L1668-W1693 HydrophobicContact CD1-CG 4.19Å; M1671-W1693 HydrophobicContact CE-CB 4.34Å; M1671-W1693 HydrophobicContact SD-CB 4.08Å; T1672-W1693 PolarHBondContact OG1-NE1 3.02Å; L1675-W1693 HydrophobicContact CD1-CB 3.79Å; L1675-W1693 HydrophobicContact CD1-CD2 4.44Å; L1675-W1693 HydrophobicContact CD1-CG 3.67Å; Y1689-W1693 WeakPolarHBondContact O-CB 3.45Å; Y1689-W1693 PolarHBondContact O-N 2.99Å; M1690-W1693 HydrophobicContact CE-CE3 4.06Å; M1690-W1693 HydrophobicContact CE-CZ3 4.36Å; M1690-W1693 PolarHBondContact O-N 3.38Å; W1693-S1695 VanDerWaalsContact C-N 3.33Å; W1693-S1695 PolarHBondContact O-N 3.21Å; W1693-L1696 PolarHBondContact O-N 2.88Å; W1693-L1697 HydrophobicContact CH2-CD2 3.73Å; W1693-L1697 HydrophobicContact CZ2-CD2 4.4Å; W1693-L1697 HydrophobicContact CZ3-CD2 3.79Å; W1693-L1697 WeakPolarHBondContact O-CB 3.46Å; W1693-L1697 PolarHBondContact O-N 3.11Å; W1693-L1717 HydrophobicContact CH2-CD1 3.7Å; W1693-W1720 HydrophobicContact CH2-CB 3.98Å; W1693-W1720 AromaticContact CH2-CD2 3.87Å; W1693-W1720 HydrophobicContact CH2-CD2 3.87Å; W1693-W1720 AromaticContact CH2-CE3 3.99Å; W1693-W1720 HydrophobicContact CH2-CE3 3.99Å; W1693-W1720 AromaticContact CH2-CG 3.87Å; W1693-W1720 HydrophobicContact CH2-CG 3.87Å; W1693-W1720 HydrophobicContact CZ2-CB 3.72Å; W1693-W1720 HydrophobicContact CZ2-CD2 4.4Å; W1693-W1720 AromaticContact CZ2-CG 3.91Å; W1693-W1720 HydrophobicContact CZ2-CG 3.91Å; W1693-W1720 HydrophobicContact CZ3-CD2 4.25Å; W1693-W1720 HydrophobicContact CZ3-CE3 4.4Å |
| 1694 | L | 86.7 | Confident | 81.9 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.2 | -78.1 | 170.9 | 0 | 0 | 0 | 112.3 | M1690 Q1692 S1698 Q1750 L1754 | M1690-L1694 WeakPolarHBondContact O-CB 3.14Å; M1690-L1694 WeakPolarHBondContact O-CG 3.01Å; M1690-L1694 PolarHBondContact O-N 3.34Å; Q1692-L1694 PolarHBondContact O-N 2.73Å; L1694-S1698 VanDerWaalsContact O-CB 3.29Å; L1694-S1698 WeakPolarHBondContact O-CB 3.09Å; L1694-S1698 PolarHBondContact O-N 2.94Å; L1694-Q1750 HydrophobicContact CD1-CB 3.76Å; L1694-Q1750 HydrophobicContact CD1-CG 3.91Å; L1694-L1754 HydrophobicContact CD2-CB 4.04Å; L1694-L1754 HydrophobicContact CD2-CD1 4.06Å |
| 1695 | S | 84.6 | Confident | 82.1 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 175.3 | -158.3 | 0 | 0 | 0 | 0 | 111.4 | N1691 Q1692 W1693 S1698 D1699 R1753 | N1691-S1695 PolarHBondContact O-N 2.88Å; Q1692-S1695 WeakPolarHBondContact O-CB 3.08Å; Q1692-S1695 PolarHBondContact O-N 3.01Å; W1693-S1695 VanDerWaalsContact C-N 3.33Å; W1693-S1695 PolarHBondContact O-N 3.21Å; S1695-S1698 PolarHBondContact O-N 3.16Å; S1695-D1699 PolarHBondContact O-N 2.9Å; S1695-R1753 PolarHBondContact OG-NH2 3.35Å |
| 1696 | L | 84.4 | Confident | 82.1 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 179.7 | -166.7 | 71.3 | 0 | 0 | 0 | 112.2 | R1664 L1667 L1668 Q1692 W1693 C1700 | R1664-L1696 HydrophobicContact CB-CD1 4.11Å; R1664-L1696 HydrophobicContact CG-CD1 4.04Å; L1667-L1696 HydrophobicContact CB-CD2 4.31Å; L1667-L1696 HydrophobicContact CD2-CD2 4.11Å; L1667-L1696 HydrophobicContact CG-CD2 4.25Å; L1668-L1696 HydrophobicContact CB-CD2 3.69Å; L1668-L1696 HydrophobicContact CB-CG 4.2Å; L1668-L1696 HydrophobicContact CD1-CB 4.2Å; L1668-L1696 HydrophobicContact CD1-CD2 4.11Å; L1668-L1696 HydrophobicContact CD1-CG 4.31Å; L1668-L1696 HydrophobicContact CG-CD2 4.49Å; Q1692-L1696 PolarHBondContact O-N 2.94Å; W1693-L1696 PolarHBondContact O-N 2.88Å; L1696-C1700 WeakPolarHBondContact O-CB 3.47Å; L1696-C1700 PolarHBondContact O-N 3.38Å; L1696-C1700 PolarHBondContact O-SG 2.85Å |
| 1697 | L | 88.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 172.8 | 178.3 | 69.5 | 0 | 0 | 0 | 111.2 | L1668 W1693 D1699 C1700 L1701 A1713 L1717 C1757 | L1668-L1697 HydrophobicContact CD1-CB 4.21Å; L1668-L1697 HydrophobicContact CD2-CB 4.33Å; L1668-L1697 HydrophobicContact CD2-CD1 3.95Å; W1693-L1697 HydrophobicContact CH2-CD2 3.73Å; W1693-L1697 HydrophobicContact CZ2-CD2 4.4Å; W1693-L1697 HydrophobicContact CZ3-CD2 3.79Å; W1693-L1697 WeakPolarHBondContact O-CB 3.46Å; W1693-L1697 PolarHBondContact O-N 3.11Å; L1697-D1699 VanDerWaalsContact C-N 3.32Å; L1697-D1699 PolarHBondContact O-N 2.79Å; L1697-C1700 PolarHBondContact O-N 3.31Å; L1697-L1701 HydrophobicContact CD1-CD1 3.91Å; L1697-L1701 HydrophobicContact CD1-CG 4.42Å; L1697-L1701 HydrophobicContact CG-CD1 4.04Å; L1697-L1701 WeakPolarHBondContact O-CG 3.01Å; L1697-L1701 PolarHBondContact O-N 2.97Å; L1697-L1701 VanDerWaalsContact O-N 3.14Å; L1697-A1713 HydrophobicContact CD1-CB 4.26Å; L1697-L1717 HydrophobicContact CD1-CB 4.13Å; L1697-L1717 HydrophobicContact CD2-CB 4.46Å; L1697-L1717 HydrophobicContact CD2-CD1 4.15Å; L1697-L1717 HydrophobicContact CD2-CD2 4.47Å; L1697-C1757 HydrophobicContact CD2-CB 4.45Å |
| 1698 | S | 85.7 | Confident | 81.5 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 24% | 0.238 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -44.5 | 178.8 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | L1694 S1695 Q1702 | L1694-S1698 VanDerWaalsContact O-CB 3.29Å; L1694-S1698 WeakPolarHBondContact O-CB 3.09Å; L1694-S1698 PolarHBondContact O-N 2.94Å; S1695-S1698 PolarHBondContact O-N 3.16Å; S1698-Q1702 WeakPolarHBondContact O-CG 3.49Å |
| 1699 | D | 82.6 | Confident | 81.3 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 21% | 0.214 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -54.3 | 175.6 | -78.4 | 5.3 | 0 | 0 | 0 | 110.6 | R1664 S1695 L1697 L1701 Q1702 H1705 | R1664-D1699 IonicContact NH1-OD2 3.22Å; R1664-D1699 PolarHBondContact NH1-OD2 3.41Å; R1664-D1699 VanDerWaalsContact NH1-OD2 3.12Å; S1695-D1699 PolarHBondContact O-N 2.9Å; L1697-D1699 VanDerWaalsContact C-N 3.32Å; L1697-D1699 PolarHBondContact O-N 2.79Å; D1699-L1701 PolarHBondContact O-N 2.97Å; D1699-Q1702 WeakPolarHBondContact O-CB 3.35Å; D1699-Q1702 WeakPolarHBondContact O-CG 3.36Å; D1699-Q1702 PolarHBondContact O-N 2.89Å; D1699-H1705 PolarHBondContact O-CD2 3.49Å; D1699-H1705 PolarHBondContact O-NE2 3.17Å |
| 1700 | C | 84.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -17.3 | -174.6 | -65.4 | 0 | 0 | 0 | 0 | 114.4 | L1668 L1696 L1697 R1710 A1713 | L1668-C1700 HydrophobicContact CD2-CB 4.3Å; L1696-C1700 WeakPolarHBondContact O-CB 3.47Å; L1696-C1700 PolarHBondContact O-N 3.38Å; L1696-C1700 PolarHBondContact O-SG 2.85Å; L1697-C1700 PolarHBondContact O-N 3.31Å; C1700-R1710 WeakPolarHBondContact O-CA 3.39Å; C1700-R1710 WeakPolarHBondContact O-CG 3.44Å; C1700-A1713 HydrophobicContact CB-CB 3.56Å |
| 1701 | L | 82.8 | Confident | 81.1 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -5.1 | 175.8 | -73.4 | 173.2 | 0 | 0 | 0 | 113.8 | L1697 D1699 R1710 A1713 C1757 V1769 | L1697-L1701 HydrophobicContact CD1-CD1 3.91Å; L1697-L1701 HydrophobicContact CD1-CG 4.42Å; L1697-L1701 HydrophobicContact CG-CD1 4.04Å; L1697-L1701 WeakPolarHBondContact O-CG 3.01Å; L1697-L1701 PolarHBondContact O-N 2.97Å; L1697-L1701 VanDerWaalsContact O-N 3.14Å; D1699-L1701 PolarHBondContact O-N 2.97Å; L1701-R1710 HydrophobicContact CD2-CB 4.48Å; L1701-A1713 HydrophobicContact CD2-CB 4.06Å; L1701-A1713 HydrophobicContact CG-CB 4.08Å; L1701-C1757 HydrophobicContact CD1-CB 4.04Å; L1701-V1769 HydrophobicContact CD2-CG1 4.5Å |
| 1702 | Q | 80.8 | Confident | 80.9 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -65 | 145.8 | 176.7 | -59.6 | -179.9 | 7.6 | 0 | 0 | 111.3 | S1698 D1699 Q1704 H1705 R1710 | S1698-Q1702 WeakPolarHBondContact O-CG 3.49Å; D1699-Q1702 WeakPolarHBondContact O-CB 3.35Å; D1699-Q1702 WeakPolarHBondContact O-CG 3.36Å; D1699-Q1702 PolarHBondContact O-N 2.89Å; Q1702-Q1704 PolarHBondContact O-N 3.32Å; Q1702-H1705 PolarHBondContact O-N 3.26Å; Q1702-H1705 VanDerWaalsContact O-N 3.1Å; Q1702-R1710 WeakPolarHBondContact O-CD 3.47Å |
| 1703 | Y | 71.6 | Confident | 81 | Confident | 121 Ų | 121 | 38.1 Ų | 38.1 | 48% | 0.475 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27 | -175.1 | 82.2 | -87.7 | 0 | 0 | 0 | 113.9 | H1705 R1710 | Y1703-H1705 VanDerWaalsContact C-N 3.28Å; Y1703-H1705 PolarHBondContact O-N 2.74Å; Y1703-R1710 PolarHBondContact O-NH1 3.02Å |
| 1704 | Q | 70.4 | Confident | 80.9 | Confident | 136 Ų | 136 | 38.1 Ų | 38.1 | 64% | 0.636 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -19.1 | -177.9 | -61.5 | -179.5 | -1.1 | 0 | 0 | 113.4 | Q1702 | Q1702-Q1704 PolarHBondContact O-N 3.32Š|
| 1705 | H | 73.9 | Confident | 80.7 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -81.8 | 155.9 | 178.3 | -69.1 | -72 | 0 | 0 | 0 | 111.9 | C1661 D1699 Q1702 Y1703 R1710 | C1661-H1705 PolarHBondContact SG-ND1 2.68Å; D1699-H1705 PolarHBondContact O-CD2 3.49Å; D1699-H1705 PolarHBondContact O-NE2 3.17Å; Q1702-H1705 PolarHBondContact O-N 3.26Å; Q1702-H1705 VanDerWaalsContact O-N 3.1Å; Y1703-H1705 VanDerWaalsContact C-N 3.28Å; Y1703-H1705 PolarHBondContact O-N 2.74Å; H1705-R1710 HydrophobicContact CB-CG 4.49Å; H1705-R1710 PolarHBondContact O-NH1 3.44Å |
| 1706 | S | 75.4 | Confident | 80.7 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | trans | -58.7 | 146.7 | 178.6 | 66.6 | 0 | 0 | 0 | 0 | 112.2 | E1708 S1709 R1710 | S1706-E1708 PolarHBondContact O-N 3.41Å; S1706-E1708 VanDerWaalsContact O-N 3.16Å; S1706-S1709 WeakPolarHBondContact O-CA 3.43Å; S1706-S1709 VanDerWaalsContact O-CB 3.31Å; S1706-S1709 WeakPolarHBondContact O-CB 2.82Å; S1706-S1709 PolarHBondContact O-N 2.98Å; S1706-S1709 PolarHBondContact OG-N 3.48Å; S1706-R1710 PolarHBondContact O-N 3Å; S1706-R1710 VanDerWaalsContact O-N 3.15Å | ||
| 1707 | T | 73.2 | Confident | 80.8 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54 | -37.6 | 178.4 | -41.7 | 0 | 0 | 0 | 0 | 112.1 | S1709 R1710 I1711 | T1707-S1709 PolarHBondContact O-N 3.29Å; T1707-R1710 PolarHBondContact O-N 3.22Å; T1707-I1711 HydrophobicContact CG2-CD1 4.02Å; T1707-I1711 VanDerWaalsContact O-CG1 3.26Å; T1707-I1711 WeakPolarHBondContact O-CG1 3.08Å; T1707-I1711 PolarHBondContact O-N 2.85Å |
| 1708 | E | 75.5 | Confident | 80.5 | Confident | 135 Ų | 135 | 42.8 Ų | 42.8 | 63% | 0.631 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -60.1 | -42.3 | 175.3 | -68.3 | -180 | 164.2 | 0 | 0 | 112.8 | S1706 I1711 S1712 | S1706-E1708 PolarHBondContact O-N 3.41Å; S1706-E1708 VanDerWaalsContact O-N 3.16Å; E1708-I1711 PolarHBondContact O-N 3.42Å; E1708-S1712 WeakPolarHBondContact O-CB 3.32Å; E1708-S1712 PolarHBondContact O-N 3.34Å |
| 1709 | S | 80.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | C1661 S1706 T1707 I1711 S1712 A1713 | C1661-S1709 PolarHBondContact O-OG 3.26Å; S1706-S1709 WeakPolarHBondContact O-CA 3.43Å; S1706-S1709 VanDerWaalsContact O-CB 3.31Å; S1706-S1709 WeakPolarHBondContact O-CB 2.82Å; S1706-S1709 PolarHBondContact O-N 2.98Å; S1706-S1709 PolarHBondContact OG-N 3.48Å; T1707-S1709 PolarHBondContact O-N 3.29Å; S1709-I1711 PolarHBondContact O-N 2.96Å; S1709-S1712 PolarHBondContact O-N 3.22Å; S1709-A1713 WeakPolarHBondContact O-CB 3.31Å; S1709-A1713 PolarHBondContact O-N 3.43Å |
| 1710 | R | 83.9 | Confident | 80.2 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | -179.8 | -53.6 | -161.5 | -56.3 | -99 | 5.7 | 112.3 | C1700 L1701 Q1702 Y1703 H1705 S1706 T1707 A1713 S1714 D1764 E1765 V1769 | C1700-R1710 WeakPolarHBondContact O-CA 3.39Å; C1700-R1710 WeakPolarHBondContact O-CG 3.44Å; L1701-R1710 HydrophobicContact CD2-CB 4.48Å; Q1702-R1710 WeakPolarHBondContact O-CD 3.47Å; Y1703-R1710 PolarHBondContact O-NH1 3.02Å; H1705-R1710 HydrophobicContact CB-CG 4.49Å; H1705-R1710 PolarHBondContact O-NH1 3.44Å; S1706-R1710 PolarHBondContact O-N 3Å; S1706-R1710 VanDerWaalsContact O-N 3.15Å; T1707-R1710 PolarHBondContact O-N 3.22Å; R1710-A1713 PolarHBondContact O-N 2.83Å; R1710-S1714 WeakPolarHBondContact O-CB 3.36Å; R1710-S1714 PolarHBondContact O-N 2.69Å; R1710-S1714 PolarHBondContact O-OG 2.89Å; R1710-D1764 WeakPolarHBondContact CD-OD2 3.36Å; R1710-D1764 IonicContact CZ-OD1 3.35Å; R1710-D1764 IonicContact CZ-OD2 2.74Å; R1710-D1764 IonicContact NE-OD1 3.57Å; R1710-D1764 PolarHBondContact NE-OD1 2.92Å; R1710-D1764 IonicContact NE-OD2 3.22Å; R1710-D1764 PolarHBondContact NE-OD2 3.29Å; R1710-D1764 IonicContact NH2-OD1 3.69Å; R1710-D1764 PolarHBondContact NH2-OD1 3.02Å; R1710-D1764 VanDerWaalsContact NH2-OD1 3.09Å; R1710-D1764 IonicContact NH2-OD2 2.95Å; R1710-E1765 IonicContact CZ-OE1 3.6Å; R1710-E1765 IonicContact NH1-OE1 3.43Å; R1710-E1765 VanDerWaalsContact NH2-CG 3.3Å; R1710-E1765 IonicContact NH2-OE1 3.53Å; R1710-E1765 PolarHBondContact NH2-OE1 3.3Å; R1710-V1769 HydrophobicContact CB-CG2 3.89Å |
| 1711 | I | 82.2 | Confident | 79.8 | Confident | 26 Ų | 26 | 41.7 Ų | 41.7 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 173.7 | -69.9 | 164.3 | 0 | 0 | 0 | 110.5 | T1707 E1708 S1709 A1713 S1714 K1715 E1768 V1769 I1772 | T1707-I1711 HydrophobicContact CG2-CD1 4.02Å; T1707-I1711 VanDerWaalsContact O-CG1 3.26Å; T1707-I1711 WeakPolarHBondContact O-CG1 3.08Å; T1707-I1711 PolarHBondContact O-N 2.85Å; E1708-I1711 PolarHBondContact O-N 3.42Å; S1709-I1711 PolarHBondContact O-N 2.96Å; I1711-A1713 VanDerWaalsContact C-N 3.35Å; I1711-A1713 PolarHBondContact O-N 3.24Å; I1711-S1714 WeakPolarHBondContact O-CB 3.42Å; I1711-S1714 PolarHBondContact O-N 2.99Å; I1711-K1715 HydrophobicContact CG2-CD 4.39Å; I1711-K1715 WeakPolarHBondContact O-CG 3.29Å; I1711-K1715 PolarHBondContact O-N 3.39Å; I1711-E1768 HydrophobicContact CD1-CB 4.33Å; I1711-E1768 VanDerWaalsContact CD1-OE2 3.24Å; I1711-E1768 WeakPolarHBondContact CD1-OE2 3.3Å; I1711-E1768 HydrophobicContact CG1-CB 4.31Å; I1711-V1769 HydrophobicContact CG1-CG2 3.93Å; I1711-I1772 HydrophobicContact CG2-CD1 4.13Å |
| 1712 | S | 78.6 | Confident | 79.2 | Confident | 28 Ų | 28 | 44.3 Ų | 44.3 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.9 | -171.5 | 0 | 0 | 0 | 0 | 112.1 | E1708 S1709 K1715 S1716 | E1708-S1712 WeakPolarHBondContact O-CB 3.32Å; E1708-S1712 PolarHBondContact O-N 3.34Å; S1709-S1712 PolarHBondContact O-N 3.22Å; S1712-K1715 PolarHBondContact O-N 3.33Å; S1712-S1716 PolarHBondContact O-N 3.1Å; S1712-S1716 PolarHBondContact O-OG 2.98Å |
| 1713 | A | 86.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1668 L1697 C1700 L1701 S1709 R1710 I1711 K1715 S1716 L1717 | L1668-A1713 HydrophobicContact CD2-CB 3.67Å; L1697-A1713 HydrophobicContact CD1-CB 4.26Å; C1700-A1713 HydrophobicContact CB-CB 3.56Å; L1701-A1713 HydrophobicContact CD2-CB 4.06Å; L1701-A1713 HydrophobicContact CG-CB 4.08Å; S1709-A1713 WeakPolarHBondContact O-CB 3.31Å; S1709-A1713 PolarHBondContact O-N 3.43Å; R1710-A1713 PolarHBondContact O-N 2.83Å; I1711-A1713 VanDerWaalsContact C-N 3.35Å; I1711-A1713 PolarHBondContact O-N 3.24Å; A1713-K1715 VanDerWaalsContact C-N 3.33Å; A1713-K1715 PolarHBondContact O-N 3.46Å; A1713-S1716 WeakPolarHBondContact O-CB 3.43Å; A1713-S1716 PolarHBondContact O-N 3.31Å; A1713-L1717 PolarHBondContact O-N 3.11Å |
| 1714 | S | 86.3 | Confident | 78 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.7 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | R1710 I1711 L1717 Q1718 I1772 | R1710-S1714 WeakPolarHBondContact O-CB 3.36Å; R1710-S1714 PolarHBondContact O-N 2.69Å; R1710-S1714 PolarHBondContact O-OG 2.89Å; I1711-S1714 WeakPolarHBondContact O-CB 3.42Å; I1711-S1714 PolarHBondContact O-N 2.99Å; S1714-L1717 PolarHBondContact O-N 2.97Å; S1714-Q1718 PolarHBondContact O-N 2.68Å; S1714-I1772 VanDerWaalsContact C-CG2 3.49Å; S1714-I1772 VanDerWaalsContact O-CG2 3.27Å; S1714-I1772 WeakPolarHBondContact O-CG2 3.11Å |
| 1715 | K | 82.8 | Confident | 77.4 | Confident | 106 Ų | 106 | 33.7 Ų | 33.7 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 174.8 | -73.3 | 177.7 | -179.7 | 175.1 | 0 | 112.1 | I1711 S1712 A1713 Q1718 L1719 I1772 | I1711-K1715 HydrophobicContact CG2-CD 4.39Å; I1711-K1715 WeakPolarHBondContact O-CG 3.29Å; I1711-K1715 PolarHBondContact O-N 3.39Å; S1712-K1715 PolarHBondContact O-N 3.33Å; A1713-K1715 VanDerWaalsContact C-N 3.33Å; A1713-K1715 PolarHBondContact O-N 3.46Å; K1715-Q1718 WeakPolarHBondContact O-CB 3.44Å; K1715-Q1718 PolarHBondContact O-N 3.36Å; K1715-L1719 WeakPolarHBondContact O-CB 3.44Å; K1715-L1719 PolarHBondContact O-N 2.85Å; K1715-I1772 HydrophobicContact CG-CD1 4Å |
| 1716 | S | 84.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | Y1669 T1672 S1712 A1713 Q1718 L1719 W1720 | Y1669-S1716 VanDerWaalsContact CA-OG 3.31Å; Y1669-S1716 WeakPolarHBondContact CA-OG 3.32Å; Y1669-S1716 PolarHBondContact N-OG 3.39Å; T1672-S1716 WeakPolarHBondContact CG2-O 3.47Å; S1712-S1716 PolarHBondContact O-N 3.1Å; S1712-S1716 PolarHBondContact O-OG 2.98Å; A1713-S1716 WeakPolarHBondContact O-CB 3.43Å; A1713-S1716 PolarHBondContact O-N 3.31Å; S1716-Q1718 VanDerWaalsContact C-N 3.32Å; S1716-Q1718 PolarHBondContact O-N 3.37Å; S1716-L1719 PolarHBondContact O-N 3.38Å; S1716-L1719 VanDerWaalsContact O-N 3.1Å; S1716-W1720 PolarHBondContact O-N 3.35Å |
| 1717 | L | 86.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 174.1 | 177.9 | 62.7 | 0 | 0 | 0 | 112.2 | W1693 L1697 A1713 S1714 L1719 W1720 T1721 L1754 I1758 L1773 V1776 | W1693-L1717 HydrophobicContact CH2-CD1 3.7Å; L1697-L1717 HydrophobicContact CD1-CB 4.13Å; L1697-L1717 HydrophobicContact CD2-CB 4.46Å; L1697-L1717 HydrophobicContact CD2-CD1 4.15Å; L1697-L1717 HydrophobicContact CD2-CD2 4.47Å; A1713-L1717 PolarHBondContact O-N 3.11Å; S1714-L1717 PolarHBondContact O-N 2.97Å; L1717-L1719 VanDerWaalsContact C-N 3.28Å; L1717-L1719 PolarHBondContact O-N 3.44Å; L1717-W1720 HydrophobicContact CD1-CE3 4.04Å; L1717-W1720 PolarHBondContact O-N 3.39Å; L1717-T1721 HydrophobicContact CD1-CG2 4.29Å; L1717-T1721 WeakPolarHBondContact O-CG2 3.35Å; L1717-T1721 PolarHBondContact O-N 3.46Å; L1717-T1721 PolarHBondContact O-OG1 3.48Å; L1717-T1721 VanDerWaalsContact O-OG1 3.06Å; L1717-L1754 HydrophobicContact CD1-CD1 3.79Å; L1717-I1758 HydrophobicContact CD2-CD1 4.29Å; L1717-I1758 HydrophobicContact CD2-CG1 3.83Å; L1717-L1773 HydrophobicContact CD2-CD2 3.55Å; L1717-V1776 HydrophobicContact CD2-CG1 4.38Å; L1717-V1776 HydrophobicContact CG-CG1 4.33Å; L1717-V1776 HydrophobicContact CG-CG2 4.3Å |
| 1718 | Q | 82.7 | Confident | 73.5 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 174 | -174.6 | 179.9 | 40 | 0 | 0 | 112.5 | S1714 K1715 S1716 T1721 I1772 V1776 L1791 | S1714-Q1718 PolarHBondContact O-N 2.68Å; K1715-Q1718 WeakPolarHBondContact O-CB 3.44Å; K1715-Q1718 PolarHBondContact O-N 3.36Å; S1716-Q1718 VanDerWaalsContact C-N 3.32Å; S1716-Q1718 PolarHBondContact O-N 3.37Å; Q1718-T1721 PolarHBondContact O-OG1 3.48Å; Q1718-I1772 HydrophobicContact CB-CG2 4.03Å; Q1718-V1776 HydrophobicContact CB-CG2 3.99Å; Q1718-V1776 HydrophobicContact CG-CG2 4.45Å; Q1718-L1791 VanDerWaalsContact NE2-CD2 3.28Å |
| 1719 | L | 79 | Confident | 71.9 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -73.2 | -38 | 178.7 | -128.5 | 150.3 | 0 | 0 | 0 | 112.4 | Y1669 T1672 N1676 K1715 S1716 L1717 L1722 | Y1669-L1719 HydrophobicContact CD2-CD1 4.37Å; Y1669-L1719 HydrophobicContact CE2-CD1 3.39Å; Y1669-L1719 WeakPolarHBondContact OH-CD1 3.13Å; T1672-L1719 HydrophobicContact CG2-CB 4.01Å; N1676-L1719 PolarHBondContact ND2-O 3.47Å; K1715-L1719 WeakPolarHBondContact O-CB 3.44Å; K1715-L1719 PolarHBondContact O-N 2.85Å; S1716-L1719 PolarHBondContact O-N 3.38Å; S1716-L1719 VanDerWaalsContact O-N 3.1Å; L1717-L1719 VanDerWaalsContact C-N 3.28Å; L1717-L1719 PolarHBondContact O-N 3.44Å; L1719-L1722 WeakPolarHBondContact O-CB 3.4Å; L1719-L1722 PolarHBondContact O-N 2.7Å |
| 1720 | W | 83 | Confident | 70.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 174.7 | 179.5 | 74 | 0 | 0 | 0 | 111.9 | T1672 M1690 W1693 S1716 L1717 L1722 Q1723 F1724 M1742 L1746 L1754 W1780 | T1672-W1720 HydrophobicContact CG2-CB 3.92Å; M1690-W1720 HydrophobicContact CE-CH2 4.25Å; M1690-W1720 HydrophobicContact CE-CZ2 3.34Å; M1690-W1720 HydrophobicContact SD-CZ2 4.44Å; W1693-W1720 HydrophobicContact CH2-CB 3.98Å; W1693-W1720 AromaticContact CH2-CD2 3.87Å; W1693-W1720 HydrophobicContact CH2-CD2 3.87Å; W1693-W1720 AromaticContact CH2-CE3 3.99Å; W1693-W1720 HydrophobicContact CH2-CE3 3.99Å; W1693-W1720 AromaticContact CH2-CG 3.87Å; W1693-W1720 HydrophobicContact CH2-CG 3.87Å; W1693-W1720 HydrophobicContact CZ2-CB 3.72Å; W1693-W1720 HydrophobicContact CZ2-CD2 4.4Å; W1693-W1720 AromaticContact CZ2-CG 3.91Å; W1693-W1720 HydrophobicContact CZ2-CG 3.91Å; W1693-W1720 HydrophobicContact CZ3-CD2 4.25Å; W1693-W1720 HydrophobicContact CZ3-CE3 4.4Å; S1716-W1720 PolarHBondContact O-N 3.35Å; L1717-W1720 HydrophobicContact CD1-CE3 4.04Å; L1717-W1720 PolarHBondContact O-N 3.39Å; W1720-L1722 PolarHBondContact O-N 2.81Å; W1720-L1722 VanDerWaalsContact O-N 3.13Å; W1720-Q1723 WeakPolarHBondContact O-CB 3.27Å; W1720-Q1723 PolarHBondContact O-N 3.41Å; W1720-F1724 HydrophobicContact CD2-CE2 4.31Å; W1720-F1724 AromaticContact CE2-CE2 3.88Å; W1720-F1724 HydrophobicContact CE3-CE2 4.25Å; W1720-F1724 HydrophobicContact CH2-CD2 4.44Å; W1720-F1724 AromaticContact CH2-CE2 3.37Å; W1720-F1724 HydrophobicContact CH2-CE2 3.37Å; W1720-F1724 AromaticContact CH2-CZ 3.78Å; W1720-F1724 HydrophobicContact CH2-CZ 3.78Å; W1720-F1724 AromaticContact CZ2-CE2 3.41Å; W1720-F1724 HydrophobicContact CZ2-CE2 3.41Å; W1720-F1724 VanDerWaalsContact CZ2-CE2 3.41Å; W1720-F1724 AromaticContact CZ2-CZ 3.69Å; W1720-F1724 HydrophobicContact CZ2-CZ 3.69Å; W1720-F1724 AromaticContact CZ3-CE2 3.81Å; W1720-F1724 HydrophobicContact CZ3-CE2 3.81Å; W1720-M1742 HydrophobicContact CH2-CE 4.17Å; W1720-M1742 HydrophobicContact CZ3-CE 4.21Å; W1720-L1746 HydrophobicContact CH2-CD1 4.09Å; W1720-L1754 HydrophobicContact CH2-CD2 4.23Å; W1720-L1754 HydrophobicContact CZ3-CD2 4.04Å; W1720-W1780 HydrophobicContact CZ3-CZ2 4.32Å |
| 1721 | T | 75.3 | Confident | 68 | Low | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -21 | -178.9 | 47.2 | 0 | 0 | 0 | 0 | 114.3 | L1717 Q1718 Q1723 F1724 V1776 F1779 W1780 | L1717-T1721 HydrophobicContact CD1-CG2 4.29Å; L1717-T1721 WeakPolarHBondContact O-CG2 3.35Å; L1717-T1721 PolarHBondContact O-N 3.46Å; L1717-T1721 PolarHBondContact O-OG1 3.48Å; L1717-T1721 VanDerWaalsContact O-OG1 3.06Å; Q1718-T1721 PolarHBondContact O-OG1 3.48Å; T1721-Q1723 PolarHBondContact O-N 3.48Å; T1721-F1724 PolarHBondContact O-N 3.3Å; T1721-V1776 HydrophobicContact CG2-CG1 3.79Å; T1721-F1779 WeakPolarHBondContact O-CE1 3.12Å; T1721-W1780 HydrophobicContact CG2-CZ2 3.69Å |
| 1722 | L | 70.4 | Confident | 65.9 | Low | 72 Ų | 72 | 59.6 Ų | 59.6 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -60.9 | -20.6 | 171 | -64.1 | 173.2 | 0 | 0 | 0 | 113.1 | L1719 W1720 F1724 H1725 F1779 | L1719-L1722 WeakPolarHBondContact O-CB 3.4Å; L1719-L1722 PolarHBondContact O-N 2.7Å; W1720-L1722 PolarHBondContact O-N 2.81Å; W1720-L1722 VanDerWaalsContact O-N 3.13Å; L1722-F1724 PolarHBondContact O-N 3.4Å; L1722-H1725 VanDerWaalsContact O-CB 3.28Å; L1722-H1725 WeakPolarHBondContact O-CB 3.25Å; L1722-H1725 PolarHBondContact O-N 3.49Å; L1722-H1725 VanDerWaalsContact O-N 3.13Å; L1722-F1779 HydrophobicContact CD2-CE2 3.92Å; L1722-F1779 HydrophobicContact CD2-CZ 3.99Å |
| 1723 | Q | 65.6 | Low | 64.3 | Low | 37 Ų | 37 | 59.2 Ų | 59.2 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -63.6 | -26.5 | 177.2 | -153.1 | 174.6 | 29.6 | 0 | 0 | 112.3 | L1675 L1678 Y1686 W1720 T1721 | L1675-Q1723 PolarHBondContact O-NE2 3.36Å; L1678-Q1723 PolarHBondContact O-NE2 3.49Å; Y1686-Q1723 PolarHBondContact OH-OE1 2.78Å; W1720-Q1723 WeakPolarHBondContact O-CB 3.27Å; W1720-Q1723 PolarHBondContact O-N 3.41Å; T1721-Q1723 PolarHBondContact O-N 3.48Å |
| 1724 | F | 63.2 | Low | 62.5 | Low | 13 Ų | 13 | 61.9 Ų | 61.9 | 6% | 0.057 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -94.8 | 14.2 | 177.7 | -56 | -87.3 | 0 | 0 | 0 | 113.2 | W1720 T1721 L1722 Q1738 L1741 M1742 V1745 | W1720-F1724 HydrophobicContact CD2-CE2 4.31Å; W1720-F1724 AromaticContact CE2-CE2 3.88Å; W1720-F1724 HydrophobicContact CE3-CE2 4.25Å; W1720-F1724 HydrophobicContact CH2-CD2 4.44Å; W1720-F1724 AromaticContact CH2-CE2 3.37Å; W1720-F1724 HydrophobicContact CH2-CE2 3.37Å; W1720-F1724 AromaticContact CH2-CZ 3.78Å; W1720-F1724 HydrophobicContact CH2-CZ 3.78Å; W1720-F1724 AromaticContact CZ2-CE2 3.41Å; W1720-F1724 HydrophobicContact CZ2-CE2 3.41Å; W1720-F1724 VanDerWaalsContact CZ2-CE2 3.41Å; W1720-F1724 AromaticContact CZ2-CZ 3.69Å; W1720-F1724 HydrophobicContact CZ2-CZ 3.69Å; W1720-F1724 AromaticContact CZ3-CE2 3.81Å; W1720-F1724 HydrophobicContact CZ3-CE2 3.81Å; T1721-F1724 PolarHBondContact O-N 3.3Å; L1722-F1724 PolarHBondContact O-N 3.4Å; F1724-Q1738 PolarHBondContact O-NE2 2.86Å; F1724-L1741 HydrophobicContact CD1-CB 4.39Å; F1724-L1741 HydrophobicContact CD1-CD2 3.71Å; F1724-L1741 HydrophobicContact CE1-CD2 4.17Å; F1724-M1742 HydrophobicContact CD1-CG 3.82Å; F1724-M1742 HydrophobicContact CD2-CG 4.49Å; F1724-M1742 HydrophobicContact CE1-CB 4.5Å; F1724-M1742 HydrophobicContact CE1-CG 3.73Å; F1724-M1742 HydrophobicContact CE2-CG 4.42Å; F1724-M1742 HydrophobicContact CG-CG 4.22Å; F1724-M1742 HydrophobicContact CZ-CG 4.06Å; F1724-V1745 HydrophobicContact CE1-CB 4.45Å; F1724-V1745 HydrophobicContact CE1-CG2 4.24Å |
| 1725 | H | 56.9 | Low | 60.8 | Low | 65 Ų | 65 | 64 Ų | 64 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | trans | -64.7 | 136.2 | 179.8 | -158.7 | -69.5 | 0 | 0 | 0 | 111.1 | L1722 D1727 N1728 F1779 | L1722-H1725 VanDerWaalsContact O-CB 3.28Å; L1722-H1725 WeakPolarHBondContact O-CB 3.25Å; L1722-H1725 PolarHBondContact O-N 3.49Å; L1722-H1725 VanDerWaalsContact O-N 3.13Å; H1725-D1727 IonicContact CE1-OD2 3.51Å; H1725-D1727 PolarHBondContact CE1-OD2 2.9Å; H1725-D1727 PolarHBondContact ND1-N 3.25Å; H1725-D1727 IonicContact ND1-OD2 2.66Å; H1725-D1727 PolarHBondContact O-N 3.27Å; H1725-N1728 PolarHBondContact O-N 3.48Å; H1725-F1779 HydrophobicContact CB-CZ 3.83Å; H1725-F1779 AromaticContact CD2-CE2 3.34Å; H1725-F1779 WeakPolarHBondContact CD2-CE2 3.41Å; H1725-F1779 AromaticContact CD2-CZ 3.23Å; H1725-F1779 WeakPolarHBondContact CD2-CZ 3.48Å; H1725-F1779 AromaticContact CG-CZ 3.76Å; H1725-F1779 AromaticContact NE2-CE2 3.91Å | ||
| 1726 | P | 45.7 | Very low | 59.4 | Low | 39 Ų | 39 | 61.4 Ų | 61.4 | 25% | 0.253 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -58.4 | -18.2 | -179.1 | 20.3 | -34.8 | 0 | 0 | 0 | 115.8 | N1728 H1729 P1733 | P1726-N1728 PolarHBondContact O-N 2.86Å; P1726-H1729 PolarHBondContact O-N 3.14Å; P1726-H1729 VanDerWaalsContact O-N 3.16Å; P1726-H1729 VanDerWaalsContact O-O 3.05Å; P1726-P1733 HydrophobicContact CB-CG 3.6Å |
| 1727 | D | 48 | Very low | 58.2 | Low | 131 Ų | 131 | 64.8 Ų | 64.8 | 70% | 0.701 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -73.2 | -12.3 | -176.4 | -72.3 | -22.1 | 0 | 0 | 0 | 112.3 | H1725 | H1725-D1727 IonicContact CE1-OD2 3.51Å; H1725-D1727 PolarHBondContact CE1-OD2 2.9Å; H1725-D1727 PolarHBondContact ND1-N 3.25Å; H1725-D1727 IonicContact ND1-OD2 2.66Å; H1725-D1727 PolarHBondContact O-N 3.27Å |
| 1728 | N | 46.2 | Very low | 57.2 | Low | 117 Ų | 117 | 65.4 Ų | 65.4 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -83.7 | -13.5 | 173 | -77.3 | -12.1 | 0 | 0 | 0 | 113.7 | H1725 P1726 | H1725-N1728 PolarHBondContact O-N 3.48Å; P1726-N1728 PolarHBondContact O-N 2.86Å |
| 1729 | H | 42.9 | Very low | 56.6 | Low | 121 Ų | 121 | 63.7 Ų | 63.7 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -135.2 | 112.1 | -179.4 | -65.8 | -62.4 | 0 | 0 | 0 | 111.7 | P1726 K1731 | P1726-H1729 PolarHBondContact O-N 3.14Å; P1726-H1729 VanDerWaalsContact O-N 3.16Å; P1726-H1729 VanDerWaalsContact O-O 3.05Å; H1729-K1731 PolarHBondContact O-N 3.3Å |
| 1730 | T | 42.4 | Very low | 56.2 | Low | 148 Ų | 148 | 64.7 Ų | 64.7 | 91% | 0.908 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -67.4 | 19.2 | -165.9 | 45.8 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1731 | K | 39.7 | Very low | 55.7 | Low | 174 Ų | 174 | 67.9 Ų | 67.9 | 76% | 0.757 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -130.8 | 123.9 | 177.5 | -69.8 | -176 | 179.7 | 178.2 | 0 | 110.4 | H1729 P1733 | H1729-K1731 PolarHBondContact O-N 3.3Å; K1731-P1733 WeakPolarHBondContact O-CD 3.21Å |
| 1732 | S | 38.4 | Very low | 55.7 | Low | 105 Ų | 105 | 67.9 Ų | 67.9 | 73% | 0.734 | 37% | 0.37 | S | S | * | . | trans | -35.7 | 103.2 | -179.6 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | S1734 | S1732-S1734 PolarHBondContact O-N 3.37Š| ||
| 1733 | P | 44.6 | Very low | 56 | Low | 21 Ų | 21 | 66.7 Ų | 66.7 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | trans | -86.5 | 118.5 | -178.5 | 27.6 | -21.9 | 0 | 0 | 0 | 109.3 | P1726 K1731 N1737 | P1726-P1733 HydrophobicContact CB-CG 3.6Å; K1731-P1733 WeakPolarHBondContact O-CD 3.21Å; P1733-N1737 HydrophobicContact CB-CB 3.51Å | ||
| 1734 | S | 48.7 | Very low | 56.5 | Low | 56 Ų | 56 | 69 Ų | 69 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | trans | -57.1 | 159.5 | 155.6 | 40.6 | 0 | 0 | 0 | 0 | 109.5 | S1732 S1736 N1737 | S1732-S1734 PolarHBondContact O-N 3.37Å; S1734-S1736 WeakPolarHBondContact CB-OG 3.1Å; S1734-S1736 PolarHBondContact O-N 3.21Å; S1734-S1736 PolarHBondContact OG-OG 3.45Å; S1734-N1737 PolarHBondContact O-N 3.36Å | ||
| 1735 | I | 49.6 | Very low | 57.1 | Low | 45 Ų | 45 | 69.7 Ų | 69.7 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -48.8 | -32.6 | 169.3 | -71.2 | 163.8 | 0 | 0 | 0 | 110.9 | N1737 I1739 L1781 L1813 | I1735-N1737 PolarHBondContact O-N 3.46Å; I1735-I1739 HydrophobicContact CG2-CD1 3.73Å; I1735-I1739 HydrophobicContact CG2-CG1 4.48Å; I1735-I1739 WeakPolarHBondContact O-CG1 3.05Å; I1735-I1739 PolarHBondContact O-N 3.03Å; I1735-L1781 HydrophobicContact CD1-CD2 4.42Å; I1735-L1781 WeakPolarHBondContact CG1-O 3.36Å; I1735-L1781 HydrophobicContact CG2-CD2 4.42Å; I1735-L1813 HydrophobicContact CG2-CD1 4.29Å |
| 1736 | S | 53.7 | Low | 58.3 | Low | 51 Ų | 51 | 66.8 Ų | 66.8 | 36% | 0.357 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 173.1 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | S1734 Q1738 I1739 D1740 | S1734-S1736 WeakPolarHBondContact CB-OG 3.1Å; S1734-S1736 PolarHBondContact O-N 3.21Å; S1734-S1736 PolarHBondContact OG-OG 3.45Å; S1736-Q1738 PolarHBondContact O-N 3.46Å; S1736-I1739 CarbonylContact O-C 3.56Å; S1736-I1739 PolarHBondContact O-N 3.19Å; S1736-I1739 VanDerWaalsContact O-N 3.15Å; S1736-D1740 VanDerWaalsContact O-CB 3.26Å; S1736-D1740 WeakPolarHBondContact O-CB 3.24Å; S1736-D1740 PolarHBondContact O-N 3.03Å |
| 1737 | N | 60.2 | Low | 60 | Low | 70 Ų | 70 | 68.3 Ų | 68.3 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | -175.8 | -77.5 | 7.9 | 0 | 0 | 0 | 114.4 | P1733 S1734 I1735 L1741 | P1733-N1737 HydrophobicContact CB-CB 3.51Å; S1734-N1737 PolarHBondContact O-N 3.36Å; I1735-N1737 PolarHBondContact O-N 3.46Å; N1737-L1741 WeakPolarHBondContact O-CB 3.41Å; N1737-L1741 PolarHBondContact O-N 3.42Å |
| 1738 | Q | 65.2 | Low | 61.6 | Low | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.065 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 176.8 | -83.5 | -172.3 | -25.4 | 0 | 0 | 111.5 | F1724 S1736 D1740 L1741 M1742 W1780 | F1724-Q1738 PolarHBondContact O-NE2 2.86Å; S1736-Q1738 PolarHBondContact O-N 3.46Å; Q1738-D1740 VanDerWaalsContact C-N 3.32Å; Q1738-L1741 PolarHBondContact O-N 3.39Å; Q1738-M1742 WeakPolarHBondContact O-CG 3.38Å; Q1738-M1742 PolarHBondContact O-N 3.44Å; Q1738-W1780 PolarHBondContact OE1-O 3.36Å |
| 1739 | I | 70.3 | Confident | 63.2 | Low | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.2 | -67.8 | 176.9 | 0 | 0 | 0 | 110.2 | I1735 S1736 M1742 K1743 L1813 L1814 | I1735-I1739 HydrophobicContact CG2-CD1 3.73Å; I1735-I1739 HydrophobicContact CG2-CG1 4.48Å; I1735-I1739 WeakPolarHBondContact O-CG1 3.05Å; I1735-I1739 PolarHBondContact O-N 3.03Å; S1736-I1739 CarbonylContact O-C 3.56Å; S1736-I1739 PolarHBondContact O-N 3.19Å; S1736-I1739 VanDerWaalsContact O-N 3.15Å; I1739-M1742 CarbonylContact O-C 3.42Å; I1739-M1742 PolarHBondContact O-N 3.33Å; I1739-K1743 HydrophobicContact CG2-CD 4.35Å; I1739-K1743 HydrophobicContact CG2-CG 4.44Å; I1739-K1743 WeakPolarHBondContact O-CB 3.4Å; I1739-K1743 VanDerWaalsContact O-CG 3.25Å; I1739-K1743 WeakPolarHBondContact O-CG 3.48Å; I1739-K1743 PolarHBondContact O-N 3.32Å; I1739-L1813 HydrophobicContact CD1-CB 3.8Å; I1739-L1813 HydrophobicContact CD1-CD1 3.6Å; I1739-L1813 HydrophobicContact CD1-CG 4.36Å; I1739-L1813 HydrophobicContact CG2-CB 4.14Å; I1739-L1814 HydrophobicContact CG2-CD2 4.06Å; I1739-L1814 HydrophobicContact CG2-CG 4.14Å |
| 1740 | D | 71 | Confident | 65.2 | Low | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 176.5 | -63.2 | -26.3 | 0 | 0 | 0 | 110.8 | S1736 Q1738 K1743 S1744 | S1736-D1740 VanDerWaalsContact O-CB 3.26Å; S1736-D1740 WeakPolarHBondContact O-CB 3.24Å; S1736-D1740 PolarHBondContact O-N 3.03Å; Q1738-D1740 VanDerWaalsContact C-N 3.32Å; D1740-K1743 WeakPolarHBondContact O-CB 3.48Å; D1740-K1743 PolarHBondContact O-N 2.94Å; D1740-S1744 WeakPolarHBondContact O-CB 3.29Å; D1740-S1744 PolarHBondContact O-N 3.12Å |
| 1741 | L | 72.1 | Confident | 67.3 | Low | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 171.6 | -143.7 | 100.8 | 0 | 0 | 0 | 110.8 | F1724 N1737 Q1738 K1743 S1744 V1745 | F1724-L1741 HydrophobicContact CD1-CB 4.39Å; F1724-L1741 HydrophobicContact CD1-CD2 3.71Å; F1724-L1741 HydrophobicContact CE1-CD2 4.17Å; N1737-L1741 WeakPolarHBondContact O-CB 3.41Å; N1737-L1741 PolarHBondContact O-N 3.42Å; Q1738-L1741 PolarHBondContact O-N 3.39Å; L1741-K1743 VanDerWaalsContact C-N 3.3Å; L1741-K1743 PolarHBondContact O-N 3.08Å; L1741-S1744 PolarHBondContact O-N 3.47Å; L1741-S1744 VanDerWaalsContact O-N 3.11Å; L1741-S1744 PolarHBondContact O-OG 3.27Å; L1741-V1745 WeakPolarHBondContact O-CG2 3.32Å; L1741-V1745 PolarHBondContact O-N 3.11Å |
| 1742 | M | 75.8 | Confident | 69.3 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -38.3 | 173.8 | -76.4 | -176.8 | 84.9 | 0 | 0 | 111.7 | W1720 F1724 Q1738 I1739 S1744 V1745 L1746 L1754 W1780 L1814 | W1720-M1742 HydrophobicContact CH2-CE 4.17Å; W1720-M1742 HydrophobicContact CZ3-CE 4.21Å; F1724-M1742 HydrophobicContact CD1-CG 3.82Å; F1724-M1742 HydrophobicContact CD2-CG 4.49Å; F1724-M1742 HydrophobicContact CE1-CB 4.5Å; F1724-M1742 HydrophobicContact CE1-CG 3.73Å; F1724-M1742 HydrophobicContact CE2-CG 4.42Å; F1724-M1742 HydrophobicContact CG-CG 4.22Å; F1724-M1742 HydrophobicContact CZ-CG 4.06Å; Q1738-M1742 WeakPolarHBondContact O-CG 3.38Å; Q1738-M1742 PolarHBondContact O-N 3.44Å; I1739-M1742 CarbonylContact O-C 3.42Å; I1739-M1742 PolarHBondContact O-N 3.33Å; M1742-S1744 VanDerWaalsContact C-N 3.32Å; M1742-V1745 PolarHBondContact O-N 3.08Å; M1742-L1746 HydrophobicContact CE-CD1 4.15Å; M1742-L1746 WeakPolarHBondContact O-CB 3.48Å; M1742-L1746 PolarHBondContact O-N 3.35Å; M1742-L1754 HydrophobicContact CE-CD2 3.5Å; M1742-W1780 HydrophobicContact CE-CD2 4.41Å; M1742-W1780 HydrophobicContact CE-CH2 3.66Å; M1742-W1780 HydrophobicContact CE-CZ2 3.39Å; M1742-W1780 HydrophobicContact CE-CZ3 4.28Å; M1742-W1780 HydrophobicContact SD-CD2 4.13Å; M1742-W1780 HydrophobicContact SD-CG 4.49Å; M1742-W1780 HydrophobicContact SD-CZ2 4.12Å; M1742-L1814 HydrophobicContact CB-CD2 4.36Å |
| 1743 | K | 76.6 | Confident | 71.4 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -32.5 | 173.7 | -75.9 | 178.7 | 177.4 | -175.8 | 0 | 112.6 | I1739 D1740 L1741 V1745 L1813 L1816 | I1739-K1743 HydrophobicContact CG2-CD 4.35Å; I1739-K1743 HydrophobicContact CG2-CG 4.44Å; I1739-K1743 WeakPolarHBondContact O-CB 3.4Å; I1739-K1743 VanDerWaalsContact O-CG 3.25Å; I1739-K1743 WeakPolarHBondContact O-CG 3.48Å; I1739-K1743 PolarHBondContact O-N 3.32Å; D1740-K1743 WeakPolarHBondContact O-CB 3.48Å; D1740-K1743 PolarHBondContact O-N 2.94Å; L1741-K1743 VanDerWaalsContact C-N 3.3Å; L1741-K1743 PolarHBondContact O-N 3.08Å; K1743-V1745 VanDerWaalsContact C-N 3.35Å; K1743-L1813 WeakPolarHBondContact CE-O 3.49Å; K1743-L1813 PolarHBondContact NZ-O 3.37Å; K1743-L1816 PolarHBondContact NZ-O 3.31Å |
| 1744 | S | 75 | Confident | 73.4 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -74.1 | -26 | 176.2 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | D1740 L1741 M1742 | D1740-S1744 WeakPolarHBondContact O-CB 3.29Å; D1740-S1744 PolarHBondContact O-N 3.12Å; L1741-S1744 PolarHBondContact O-N 3.47Å; L1741-S1744 VanDerWaalsContact O-N 3.11Å; L1741-S1744 PolarHBondContact O-OG 3.27Å; M1742-S1744 VanDerWaalsContact C-N 3.32Å |
| 1745 | V | 76 | Confident | 75.2 | Confident | 29 Ų | 29 | 41.6 Ų | 41.6 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -95.7 | -36.3 | -178.7 | 176.5 | 0 | 0 | 0 | 0 | 112.3 | P1680 Y1686 F1724 L1741 M1742 K1743 | P1680-V1745 HydrophobicContact CB-CG1 4.18Å; P1680-V1745 HydrophobicContact CB-CG2 4.06Å; P1680-V1745 HydrophobicContact CG-CG2 4.46Å; Y1686-V1745 HydrophobicContact CD1-CG1 4.33Å; Y1686-V1745 HydrophobicContact CE1-CG1 3.55Å; F1724-V1745 HydrophobicContact CE1-CB 4.45Å; F1724-V1745 HydrophobicContact CE1-CG2 4.24Å; L1741-V1745 WeakPolarHBondContact O-CG2 3.32Å; L1741-V1745 PolarHBondContact O-N 3.11Å; M1742-V1745 PolarHBondContact O-N 3.08Å; K1743-V1745 VanDerWaalsContact C-N 3.35Å |
| 1746 | L | 81.5 | Confident | 76.9 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -112.2 | 129 | -174.7 | -59.1 | 178.8 | 0 | 0 | 0 | 112 | M1690 W1720 M1742 Q1750 R1751 L1754 | M1690-L1746 HydrophobicContact CE-CD2 3.91Å; W1720-L1746 HydrophobicContact CH2-CD1 4.09Å; M1742-L1746 HydrophobicContact CE-CD1 4.15Å; M1742-L1746 WeakPolarHBondContact O-CB 3.48Å; M1742-L1746 PolarHBondContact O-N 3.35Å; L1746-Q1750 HydrophobicContact CB-CB 4.15Å; L1746-Q1750 HydrophobicContact CD2-CB 4.14Å; L1746-R1751 HydrophobicContact CB-CG 3.78Å; L1746-R1751 HydrophobicContact CD1-CG 4.34Å; L1746-R1751 PolarHBondContact O-NE 2.91Å; L1746-L1754 HydrophobicContact CD1-CD2 3.85Å |
| 1747 | D | 82.2 | Confident | 78.5 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 38% | 0.38 | 21% | 0.21 | S | C | . | . | trans | -66.3 | 172.5 | 168.5 | 72.3 | 39.7 | 0 | 0 | 0 | 111.7 | S1749 Q1750 R1751 | D1747-S1749 VanDerWaalsContact C-N 3.29Å; D1747-S1749 PolarHBondContact O-N 3.46Å; D1747-S1749 WeakPolarHBondContact OD1-CA 3.41Å; D1747-S1749 VanDerWaalsContact OD1-CB 3.29Å; D1747-S1749 WeakPolarHBondContact OD1-CB 3.38Å; D1747-S1749 PolarHBondContact OD1-N 3.27Å; D1747-Q1750 PolarHBondContact O-N 2.83Å; D1747-Q1750 WeakPolarHBondContact OD1-CB 3.4Å; D1747-Q1750 WeakPolarHBondContact OD1-CG 3.38Å; D1747-Q1750 PolarHBondContact OD1-N 3.04Å; D1747-R1751 WeakPolarHBondContact O-CB 3.34Å; D1747-R1751 VanDerWaalsContact O-CG 3.28Å; D1747-R1751 WeakPolarHBondContact O-CG 3.44Å; D1747-R1751 PolarHBondContact O-N 3.05Å; D1747-R1751 PolarHBondContact O-NE 3.39Å | ||
| 1748 | I | 80.8 | Confident | 79.7 | Confident | 47 Ų | 47 | 36.3 Ų | 36.3 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -27.3 | -176.4 | -160.2 | 143.8 | 0 | 0 | 0 | 113.7 | K1752 N1817 | I1748-K1752 WeakPolarHBondContact O-CG 3.36Å; I1748-K1752 PolarHBondContact O-N 3.45Å; I1748-K1752 VanDerWaalsContact O-N 3.12Å; I1748-N1817 WeakPolarHBondContact CD1-OD1 3.38Å |
| 1749 | S | 79.9 | Confident | 80.7 | Confident | 80 Ų | 80 | 35.6 Ų | 35.6 | 56% | 0.559 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -71.7 | -46.8 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | D1747 R1751 K1752 R1753 | D1747-S1749 VanDerWaalsContact C-N 3.29Å; D1747-S1749 PolarHBondContact O-N 3.46Å; D1747-S1749 WeakPolarHBondContact OD1-CA 3.41Å; D1747-S1749 VanDerWaalsContact OD1-CB 3.29Å; D1747-S1749 WeakPolarHBondContact OD1-CB 3.38Å; D1747-S1749 PolarHBondContact OD1-N 3.27Å; S1749-R1751 VanDerWaalsContact C-N 3.34Å; S1749-R1751 PolarHBondContact O-N 3.24Å; S1749-K1752 PolarHBondContact O-N 3.07Å; S1749-R1753 PolarHBondContact O-N 3.16Å |
| 1750 | Q | 85.3 | Confident | 81.2 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.019 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 175.1 | -69.5 | 173.3 | -15.7 | 0 | 0 | 111.4 | S1687 N1691 L1694 L1746 D1747 R1753 L1754 | S1687-Q1750 PolarHBondContact O-NE2 3.14Å; S1687-Q1750 PolarHBondContact OG-NE2 3.44Å; N1691-Q1750 VanDerWaalsContact OD1-CG 3.32Å; N1691-Q1750 WeakPolarHBondContact OD1-CG 3.5Å; N1691-Q1750 PolarHBondContact OD1-NE2 2.89Å; L1694-Q1750 HydrophobicContact CD1-CB 3.76Å; L1694-Q1750 HydrophobicContact CD1-CG 3.91Å; L1746-Q1750 HydrophobicContact CB-CB 4.15Å; L1746-Q1750 HydrophobicContact CD2-CB 4.14Å; D1747-Q1750 PolarHBondContact O-N 2.83Å; D1747-Q1750 WeakPolarHBondContact OD1-CB 3.4Å; D1747-Q1750 WeakPolarHBondContact OD1-CG 3.38Å; D1747-Q1750 PolarHBondContact OD1-N 3.04Å; Q1750-R1753 PolarHBondContact O-N 3.33Å; Q1750-L1754 WeakPolarHBondContact O-CB 3.4Å; Q1750-L1754 PolarHBondContact O-N 3.16Å |
| 1751 | R | 86 | Confident | 81.7 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 174.2 | -76.2 | -178.2 | -81.8 | 159 | -7.7 | 112.3 | L1746 D1747 S1749 L1755 L1814 | L1746-R1751 HydrophobicContact CB-CG 3.78Å; L1746-R1751 HydrophobicContact CD1-CG 4.34Å; L1746-R1751 PolarHBondContact O-NE 2.91Å; D1747-R1751 WeakPolarHBondContact O-CB 3.34Å; D1747-R1751 VanDerWaalsContact O-CG 3.28Å; D1747-R1751 WeakPolarHBondContact O-CG 3.44Å; D1747-R1751 PolarHBondContact O-N 3.05Å; D1747-R1751 PolarHBondContact O-NE 3.39Å; S1749-R1751 VanDerWaalsContact C-N 3.34Å; S1749-R1751 PolarHBondContact O-N 3.24Å; R1751-L1755 WeakPolarHBondContact O-CG 3.14Å; R1751-L1755 PolarHBondContact O-N 3.05Å; R1751-L1814 HydrophobicContact CG-CD2 4.14Å; R1751-L1814 PolarHBondContact NH1-O 3.4Å |
| 1752 | K | 82.6 | Confident | 82.1 | Confident | 60 Ų | 60 | 32.1 Ų | 32.1 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 176.5 | -77 | 176 | -178.7 | 177.3 | 0 | 111.8 | I1748 S1749 L1754 L1755 D1756 L1815 E1845 | I1748-K1752 WeakPolarHBondContact O-CG 3.36Å; I1748-K1752 PolarHBondContact O-N 3.45Å; I1748-K1752 VanDerWaalsContact O-N 3.12Å; S1749-K1752 PolarHBondContact O-N 3.07Å; K1752-L1754 VanDerWaalsContact C-N 3.33Å; K1752-L1754 PolarHBondContact O-N 3.19Å; K1752-L1755 WeakPolarHBondContact O-CB 3.09Å; K1752-L1755 PolarHBondContact O-N 2.99Å; K1752-L1755 VanDerWaalsContact O-N 3.12Å; K1752-D1756 VanDerWaalsContact O-CG 3.27Å; K1752-D1756 PolarHBondContact O-N 2.97Å; K1752-L1815 HydrophobicContact CD-CD2 4.45Å; K1752-L1815 HydrophobicContact CG-CD2 3.61Å; K1752-E1845 IonicContact NZ-OE1 3.29Å; K1752-E1845 PolarHBondContact NZ-OE1 3.47Å |
| 1753 | R | 82.8 | Confident | 82.2 | Confident | 97 Ų | 97 | 33.5 Ų | 33.5 | 37% | 0.366 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.1 | -37.2 | -178.5 | -160.3 | 168.6 | -173.4 | 176.9 | -2 | 112.9 | S1695 S1749 Q1750 D1756 C1757 | S1695-R1753 PolarHBondContact OG-NH2 3.35Å; S1749-R1753 PolarHBondContact O-N 3.16Å; Q1750-R1753 PolarHBondContact O-N 3.33Å; R1753-D1756 PolarHBondContact O-N 3.4Å; R1753-C1757 PolarHBondContact O-N 2.91Å; R1753-C1757 VanDerWaalsContact O-N 3.16Å; R1753-C1757 PolarHBondContact O-SG 3.38Å |
| 1754 | L | 86.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 172.9 | -179.5 | 64.2 | 0 | 0 | 0 | 111.7 | L1694 L1717 W1720 M1742 L1746 Q1750 K1752 C1757 I1758 W1780 | L1694-L1754 HydrophobicContact CD2-CB 4.04Å; L1694-L1754 HydrophobicContact CD2-CD1 4.06Å; L1717-L1754 HydrophobicContact CD1-CD1 3.79Å; W1720-L1754 HydrophobicContact CH2-CD2 4.23Å; W1720-L1754 HydrophobicContact CZ3-CD2 4.04Å; M1742-L1754 HydrophobicContact CE-CD2 3.5Å; L1746-L1754 HydrophobicContact CD1-CD2 3.85Å; Q1750-L1754 WeakPolarHBondContact O-CB 3.4Å; Q1750-L1754 PolarHBondContact O-N 3.16Å; K1752-L1754 VanDerWaalsContact C-N 3.33Å; K1752-L1754 PolarHBondContact O-N 3.19Å; L1754-C1757 PolarHBondContact O-N 3.28Å; L1754-I1758 HydrophobicContact CD1-CD1 4.28Å; L1754-I1758 HydrophobicContact CG-CD1 4.23Å; L1754-I1758 WeakPolarHBondContact O-CG1 3.34Å; L1754-I1758 PolarHBondContact O-N 3.17Å; L1754-I1758 VanDerWaalsContact O-N 3.15Å; L1754-W1780 HydrophobicContact CD1-CH2 4.4Å; L1754-W1780 HydrophobicContact CD2-CH2 3.58Å; L1754-W1780 HydrophobicContact CD2-CZ2 4Å; L1754-W1780 HydrophobicContact CG-CH2 3.91Å |
| 1755 | L | 86.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.6 | -76.2 | 171.5 | 0 | 0 | 0 | 111.7 | R1751 K1752 I1758 F1759 L1806 I1810 V1811 L1814 L1815 W1849 | R1751-L1755 WeakPolarHBondContact O-CG 3.14Å; R1751-L1755 PolarHBondContact O-N 3.05Å; K1752-L1755 WeakPolarHBondContact O-CB 3.09Å; K1752-L1755 PolarHBondContact O-N 2.99Å; K1752-L1755 VanDerWaalsContact O-N 3.12Å; L1755-I1758 PolarHBondContact O-N 2.79Å; L1755-F1759 WeakPolarHBondContact O-CB 3.27Å; L1755-F1759 PolarHBondContact O-N 2.91Å; L1755-L1806 HydrophobicContact CD2-CD1 3.98Å; L1755-I1810 HydrophobicContact CD2-CG2 4.23Å; L1755-V1811 HydrophobicContact CD1-CG2 4.45Å; L1755-V1811 HydrophobicContact CD2-CG2 4.06Å; L1755-L1814 HydrophobicContact CD1-CB 4.28Å; L1755-L1814 HydrophobicContact CD1-CD1 4.47Å; L1755-L1814 HydrophobicContact CD2-CD1 4.09Å; L1755-L1814 HydrophobicContact CG-CD1 4.4Å; L1755-L1815 HydrophobicContact CD1-CD1 4.44Å; L1755-L1815 HydrophobicContact CD1-CD2 4.08Å; L1755-L1815 HydrophobicContact CD1-CG 4.1Å; L1755-W1849 HydrophobicContact CB-CH2 4.45Å; L1755-W1849 HydrophobicContact CB-CZ2 3.65Å |
| 1756 | D | 85.2 | Confident | 82 | Confident | 48 Ų | 48 | 33.4 Ų | 33.4 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 176 | -64.3 | -27.8 | 0 | 0 | 0 | 111.3 | K1752 R1753 I1758 F1759 H1760 W1849 N1853 | K1752-D1756 VanDerWaalsContact O-CG 3.27Å; K1752-D1756 PolarHBondContact O-N 2.97Å; R1753-D1756 PolarHBondContact O-N 3.4Å; D1756-I1758 PolarHBondContact O-N 3.43Å; D1756-F1759 PolarHBondContact O-N 3.24Å; D1756-H1760 WeakPolarHBondContact O-CB 3.24Å; D1756-H1760 PolarHBondContact O-CD2 3.07Å; D1756-H1760 PolarHBondContact O-N 3.4Å; D1756-W1849 PolarHBondContact OD1-NE1 2.88Å; D1756-N1853 PolarHBondContact OD1-ND2 3.44Å; D1756-N1853 PolarHBondContact OD1-OD1 2.93Å |
| 1757 | C | 85.8 | Confident | 81.4 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 178.6 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | L1697 L1701 R1753 L1754 G1761 | L1697-C1757 HydrophobicContact CD2-CB 4.45Å; L1701-C1757 HydrophobicContact CD1-CB 4.04Å; R1753-C1757 PolarHBondContact O-N 2.91Å; R1753-C1757 VanDerWaalsContact O-N 3.16Å; R1753-C1757 PolarHBondContact O-SG 3.38Å; L1754-C1757 PolarHBondContact O-N 3.28Å; C1757-G1761 PolarHBondContact O-N 2.92Å |
| 1758 | I | 85.6 | Confident | 81 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | 179.1 | -69.7 | 172 | 0 | 0 | 0 | 110.7 | L1717 L1754 L1755 D1756 L1762 V1776 I1777 W1780 L1806 | L1717-I1758 HydrophobicContact CD2-CD1 4.29Å; L1717-I1758 HydrophobicContact CD2-CG1 3.83Å; L1754-I1758 HydrophobicContact CD1-CD1 4.28Å; L1754-I1758 HydrophobicContact CG-CD1 4.23Å; L1754-I1758 WeakPolarHBondContact O-CG1 3.34Å; L1754-I1758 PolarHBondContact O-N 3.17Å; L1754-I1758 VanDerWaalsContact O-N 3.15Å; L1755-I1758 PolarHBondContact O-N 2.79Å; D1756-I1758 PolarHBondContact O-N 3.43Å; I1758-L1762 WeakPolarHBondContact O-CG 3.31Å; I1758-L1762 PolarHBondContact O-N 3.07Å; I1758-L1762 VanDerWaalsContact O-N 3.12Å; I1758-V1776 HydrophobicContact CD1-CG1 4.41Å; I1758-I1777 HydrophobicContact CG2-CD1 3.58Å; I1758-I1777 HydrophobicContact CG2-CG1 3.7Å; I1758-W1780 HydrophobicContact CD1-CE3 4.47Å; I1758-W1780 HydrophobicContact CD1-CH2 3.12Å; I1758-W1780 HydrophobicContact CD1-CZ2 4.05Å; I1758-W1780 HydrophobicContact CD1-CZ3 3.39Å; I1758-L1806 HydrophobicContact CG2-CD1 4.28Å; I1758-L1806 HydrophobicContact CG2-CD2 4.23Å |
| 1759 | F | 85.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -51.3 | -179.8 | -173.6 | -96.7 | 0 | 0 | 0 | 110.9 | L1755 D1756 G1761 L1762 F1763 L1803 L1806 L1807 W1849 L1850 N1853 I1857 L1896 | L1755-F1759 WeakPolarHBondContact O-CB 3.27Å; L1755-F1759 PolarHBondContact O-N 2.91Å; D1756-F1759 PolarHBondContact O-N 3.24Å; F1759-G1761 PolarHBondContact O-N 3.03Å; F1759-L1762 WeakPolarHBondContact O-CB 3.48Å; F1759-L1762 PolarHBondContact O-N 2.66Å; F1759-F1763 HydrophobicContact CE1-CE2 4.13Å; F1759-F1763 HydrophobicContact CE2-CE2 4.2Å; F1759-F1763 AromaticContact CZ-CE2 3.89Å; F1759-F1763 HydrophobicContact CZ-CE2 3.89Å; F1759-F1763 WeakPolarHBondContact O-CD2 3.45Å; F1759-L1803 HydrophobicContact CD2-CD1 4.09Å; F1759-L1803 HydrophobicContact CE2-CD1 3.77Å; F1759-L1806 HydrophobicContact CD2-CD2 4.13Å; F1759-L1807 HydrophobicContact CE2-CD2 4.16Å; F1759-W1849 HydrophobicContact CB-CH2 3.85Å; F1759-W1849 HydrophobicContact CB-CZ2 3.98Å; F1759-W1849 AromaticContact CD2-CH2 3.64Å; F1759-W1849 HydrophobicContact CD2-CH2 3.64Å; F1759-W1849 HydrophobicContact CD2-CZ3 4.27Å; F1759-W1849 HydrophobicContact CE2-CH2 4.36Å; F1759-W1849 AromaticContact CG-CH2 3.81Å; F1759-W1849 HydrophobicContact CG-CH2 3.81Å; F1759-W1849 HydrophobicContact CG-CZ2 4.28Å; F1759-L1850 HydrophobicContact CE2-CD1 4.4Å; F1759-N1853 HydrophobicContact CD1-CB 3.67Å; F1759-N1853 HydrophobicContact CE1-CB 3.55Å; F1759-N1853 HydrophobicContact CZ-CB 4.34Å; F1759-I1857 HydrophobicContact CD1-CD1 4.03Å; F1759-I1857 HydrophobicContact CE1-CD1 3.3Å; F1759-I1857 HydrophobicContact CE1-CG1 4.28Å; F1759-I1857 HydrophobicContact CZ-CD1 4.01Å; F1759-L1896 HydrophobicContact CE2-CD1 3.84Å; F1759-L1896 HydrophobicContact CZ-CD1 3.72Å; F1759-L1896 HydrophobicContact CZ-CD2 4.08Å |
| 1760 | H | 82.5 | Confident | 81 | Confident | 68 Ų | 68 | 33.8 Ų | 33.8 | 32% | 0.315 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.1 | -70.8 | -46.2 | 0 | 0 | 0 | 112.8 | D1756 L1762 F1763 D1764 N1853 | D1756-H1760 WeakPolarHBondContact O-CB 3.24Å; D1756-H1760 PolarHBondContact O-CD2 3.07Å; D1756-H1760 PolarHBondContact O-N 3.4Å; H1760-L1762 VanDerWaalsContact C-N 3.26Å; H1760-L1762 PolarHBondContact O-N 2.73Å; H1760-F1763 CarbonylContact O-C 3.58Å; H1760-F1763 PolarHBondContact O-N 2.77Å; H1760-D1764 PolarHBondContact O-N 3.26Å; H1760-N1853 PolarHBondContact CE1-OD1 3.2Å; H1760-N1853 VanDerWaalsContact CE1-OD1 3.3Å; H1760-N1853 PolarHBondContact NE2-OD1 3.22Å; H1760-N1853 VanDerWaalsContact NE2-OD1 3.16Å |
| 1761 | G | 80.6 | Confident | 80.5 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70 | -18.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1757 F1759 F1763 D1764 R1770 | C1757-G1761 PolarHBondContact O-N 2.92Å; F1759-G1761 PolarHBondContact O-N 3.03Å; G1761-F1763 PolarHBondContact O-N 3.45Å; G1761-D1764 WeakPolarHBondContact O-CB 3.47Å; G1761-D1764 PolarHBondContact O-N 2.83Å; G1761-R1770 WeakPolarHBondContact O-CG 3.28Å |
| 1762 | L | 80.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -18.8 | 168.4 | -78.4 | 176.1 | 0 | 0 | 0 | 113.3 | I1758 F1759 H1760 R1770 S1774 I1777 L1803 L1806 Q1892 | I1758-L1762 WeakPolarHBondContact O-CG 3.31Å; I1758-L1762 PolarHBondContact O-N 3.07Å; I1758-L1762 VanDerWaalsContact O-N 3.12Å; F1759-L1762 WeakPolarHBondContact O-CB 3.48Å; F1759-L1762 PolarHBondContact O-N 2.66Å; H1760-L1762 VanDerWaalsContact C-N 3.26Å; H1760-L1762 PolarHBondContact O-N 2.73Å; L1762-R1770 WeakPolarHBondContact O-CD 3.45Å; L1762-R1770 WeakPolarHBondContact O-CG 3.24Å; L1762-S1774 WeakPolarHBondContact CD2-OG 3.16Å; L1762-I1777 HydrophobicContact CD1-CD1 3.6Å; L1762-I1777 HydrophobicContact CD2-CD1 4.04Å; L1762-I1777 HydrophobicContact CG-CD1 4.06Å; L1762-L1803 HydrophobicContact CD1-CB 4.22Å; L1762-L1803 HydrophobicContact CD1-CD1 3.99Å; L1762-L1806 HydrophobicContact CD1-CD2 3.89Å; L1762-Q1892 PolarHBondContact O-NE2 3.32Å |
| 1763 | F | 78 | Confident | 80.2 | Confident | 31 Ų | 31 | 31.2 Ų | 31.2 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 10.4 | 175.9 | -71.3 | -95.9 | 0 | 0 | 0 | 112.6 | F1759 H1760 G1761 L1803 I1857 Q1892 I1893 L1896 | F1759-F1763 HydrophobicContact CE1-CE2 4.13Å; F1759-F1763 HydrophobicContact CE2-CE2 4.2Å; F1759-F1763 AromaticContact CZ-CE2 3.89Å; F1759-F1763 HydrophobicContact CZ-CE2 3.89Å; F1759-F1763 WeakPolarHBondContact O-CD2 3.45Å; H1760-F1763 CarbonylContact O-C 3.58Å; H1760-F1763 PolarHBondContact O-N 2.77Å; G1761-F1763 PolarHBondContact O-N 3.45Å; F1763-L1803 HydrophobicContact CE2-CD1 4.05Å; F1763-L1803 HydrophobicContact CE2-CD2 4.15Å; F1763-L1803 HydrophobicContact CZ-CD2 3.88Å; F1763-I1857 HydrophobicContact CB-CD1 4.29Å; F1763-I1857 HydrophobicContact CD1-CD1 3.99Å; F1763-I1857 HydrophobicContact CD1-CG2 4.37Å; F1763-I1857 HydrophobicContact CD2-CD1 3.39Å; F1763-I1857 HydrophobicContact CE1-CD1 4.09Å; F1763-I1857 HydrophobicContact CE2-CD1 3.52Å; F1763-I1857 HydrophobicContact CG-CD1 3.64Å; F1763-I1857 HydrophobicContact CZ-CD1 3.87Å; F1763-Q1892 HydrophobicContact CD1-CB 4.15Å; F1763-Q1892 HydrophobicContact CE1-CB 3.39Å; F1763-Q1892 HydrophobicContact CE1-CG 4.39Å; F1763-Q1892 HydrophobicContact CZ-CB 3.78Å; F1763-I1893 HydrophobicContact CE1-CG1 4.45Å; F1763-L1896 HydrophobicContact CZ-CD1 4.31Å |
| 1764 | D | 79.2 | Confident | 80 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 10% | 0.096 | 14% | 0.137 | C | C | . | . | trans | -64 | 145.1 | 177 | -163.6 | -76.2 | 0 | 0 | 0 | 111.5 | R1710 H1760 G1761 S1766 V1769 R1770 | R1710-D1764 WeakPolarHBondContact CD-OD2 3.36Å; R1710-D1764 IonicContact CZ-OD1 3.35Å; R1710-D1764 IonicContact CZ-OD2 2.74Å; R1710-D1764 IonicContact NE-OD1 3.57Å; R1710-D1764 PolarHBondContact NE-OD1 2.92Å; R1710-D1764 IonicContact NE-OD2 3.22Å; R1710-D1764 PolarHBondContact NE-OD2 3.29Å; R1710-D1764 IonicContact NH2-OD1 3.69Å; R1710-D1764 PolarHBondContact NH2-OD1 3.02Å; R1710-D1764 VanDerWaalsContact NH2-OD1 3.09Å; R1710-D1764 IonicContact NH2-OD2 2.95Å; H1760-D1764 PolarHBondContact O-N 3.26Å; G1761-D1764 WeakPolarHBondContact O-CB 3.47Å; G1761-D1764 PolarHBondContact O-N 2.83Å; D1764-S1766 PolarHBondContact O-N 3.14Å; D1764-S1766 VanDerWaalsContact OD1-CB 3.22Å; D1764-S1766 WeakPolarHBondContact OD1-CB 3.44Å; D1764-S1766 PolarHBondContact OD1-N 3.44Å; D1764-V1769 HydrophobicContact CB-CB 4.05Å; D1764-V1769 HydrophobicContact CB-CG1 3.67Å; D1764-R1770 HydrophobicContact CB-CG 4.32Å; D1764-R1770 WeakPolarHBondContact O-CD 3.27Å; D1764-R1770 WeakPolarHBondContact O-CG 3.03Å; D1764-R1770 PolarHBondContact O-NE 3.13Å | ||
| 1765 | E | 70.8 | Confident | 79.5 | Confident | 130 Ų | 130 | 27.9 Ų | 27.9 | 61% | 0.607 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -60.1 | -30.7 | 175.2 | 61.7 | -179.8 | -179.5 | 0 | 0 | 112.6 | R1710 P1767 | R1710-E1765 IonicContact CZ-OE1 3.6Å; R1710-E1765 IonicContact NH1-OE1 3.43Å; R1710-E1765 VanDerWaalsContact NH2-CG 3.3Å; R1710-E1765 IonicContact NH2-OE1 3.53Å; R1710-E1765 PolarHBondContact NH2-OE1 3.3Å; E1765-P1767 WeakPolarHBondContact O-CD 3.32Å |
| 1766 | S | 74.4 | Confident | 79.1 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | trans | -78.5 | 117.4 | -179 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | D1764 E1768 V1769 R1770 | D1764-S1766 PolarHBondContact O-N 3.14Å; D1764-S1766 VanDerWaalsContact OD1-CB 3.22Å; D1764-S1766 WeakPolarHBondContact OD1-CB 3.44Å; D1764-S1766 PolarHBondContact OD1-N 3.44Å; S1766-E1768 PolarHBondContact O-N 3.27Å; S1766-E1768 PolarHBondContact OG-N 3.3Å; S1766-V1769 PolarHBondContact O-N 3.35Å; S1766-R1770 PolarHBondContact O-N 3.07Å | ||
| 1767 | P | 68.1 | Low | 78.8 | Confident | 77 Ų | 77 | 25.6 Ų | 25.6 | 50% | 0.5 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.2 | -25.7 | 175.2 | 25.4 | -32.6 | 0 | 0 | 0 | 112.3 | E1765 S1771 | E1765-P1767 WeakPolarHBondContact O-CD 3.32Å; P1767-S1771 VanDerWaalsContact O-CB 3.27Å; P1767-S1771 WeakPolarHBondContact O-CB 3.22Å; P1767-S1771 PolarHBondContact O-N 3.49Å |
| 1768 | E | 75.1 | Confident | 78.3 | Confident | 117 Ų | 117 | 26.8 Ų | 26.8 | 55% | 0.547 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -71.7 | -42.3 | 178.5 | -71.3 | 176.1 | 156.4 | 0 | 0 | 112.2 | I1711 S1766 S1771 I1772 | I1711-E1768 HydrophobicContact CD1-CB 4.33Å; I1711-E1768 VanDerWaalsContact CD1-OE2 3.24Å; I1711-E1768 WeakPolarHBondContact CD1-OE2 3.3Å; I1711-E1768 HydrophobicContact CG1-CB 4.31Å; S1766-E1768 PolarHBondContact O-N 3.27Å; S1766-E1768 PolarHBondContact OG-N 3.3Å; E1768-S1771 PolarHBondContact O-N 2.92Å; E1768-I1772 WeakPolarHBondContact O-CD1 3.31Å; E1768-I1772 VanDerWaalsContact O-CG1 3.28Å; E1768-I1772 WeakPolarHBondContact O-CG1 2.89Å; E1768-I1772 PolarHBondContact O-N 2.82Å |
| 1769 | V | 80.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 172.9 | 171 | 0 | 0 | 0 | 0 | 109.8 | L1701 R1710 I1711 D1764 S1766 S1771 I1772 L1773 | L1701-V1769 HydrophobicContact CD2-CG1 4.5Å; R1710-V1769 HydrophobicContact CB-CG2 3.89Å; I1711-V1769 HydrophobicContact CG1-CG2 3.93Å; D1764-V1769 HydrophobicContact CB-CB 4.05Å; D1764-V1769 HydrophobicContact CB-CG1 3.67Å; S1766-V1769 PolarHBondContact O-N 3.35Å; V1769-S1771 VanDerWaalsContact C-N 3.3Å; V1769-S1771 PolarHBondContact O-N 3.5Å; V1769-I1772 PolarHBondContact O-N 3.1Å; V1769-L1773 HydrophobicContact CG1-CD1 3.91Å; V1769-L1773 WeakPolarHBondContact O-CG 3.4Å; V1769-L1773 PolarHBondContact O-N 2.79Å |
| 1770 | R | 78.8 | Confident | 76.8 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 6% | 0.06 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.2 | -39.8 | 177.4 | -66.6 | -171.6 | -76.5 | 154.3 | 5.6 | 112.5 | G1761 L1762 D1764 S1766 S1774 H1799 E1888 | G1761-R1770 WeakPolarHBondContact O-CG 3.28Å; L1762-R1770 WeakPolarHBondContact O-CD 3.45Å; L1762-R1770 WeakPolarHBondContact O-CG 3.24Å; D1764-R1770 HydrophobicContact CB-CG 4.32Å; D1764-R1770 WeakPolarHBondContact O-CD 3.27Å; D1764-R1770 WeakPolarHBondContact O-CG 3.03Å; D1764-R1770 PolarHBondContact O-NE 3.13Å; S1766-R1770 PolarHBondContact O-N 3.07Å; R1770-S1774 VanDerWaalsContact O-CB 3.24Å; R1770-S1774 WeakPolarHBondContact O-CB 3.39Å; R1770-S1774 PolarHBondContact O-N 3.42Å; R1770-S1774 PolarHBondContact O-OG 3.39Å; R1770-H1799 PolarHBondContact O-CE1 3.39Å; R1770-H1799 PolarHBondContact O-ND1 3.38Å; R1770-E1888 IonicContact CZ-OE2 3.66Å; R1770-E1888 VanDerWaalsContact CZ-OE2 3.27Å; R1770-E1888 IonicContact NH1-OE2 3.95Å; R1770-E1888 PolarHBondContact NH1-OE2 3.39Å; R1770-E1888 IonicContact NH2-OE2 2.84Å; R1770-E1888 PolarHBondContact NH2-OE2 3.07Å |
| 1771 | S | 74.9 | Confident | 76 | Confident | 11 Ų | 11 | 26.3 Ų | 26.3 | 8% | 0.077 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.4 | -47.2 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | P1767 E1768 V1769 L1773 S1774 T1775 N1794 H1799 | P1767-S1771 VanDerWaalsContact O-CB 3.27Å; P1767-S1771 WeakPolarHBondContact O-CB 3.22Å; P1767-S1771 PolarHBondContact O-N 3.49Å; E1768-S1771 PolarHBondContact O-N 2.92Å; V1769-S1771 VanDerWaalsContact C-N 3.3Å; V1769-S1771 PolarHBondContact O-N 3.5Å; S1771-L1773 PolarHBondContact O-N 3.34Å; S1771-S1774 PolarHBondContact O-N 3.05Å; S1771-T1775 PolarHBondContact O-N 3.35Å; S1771-T1775 PolarHBondContact O-OG1 2.74Å; S1771-N1794 PolarHBondContact OG-OD1 3.02Å; S1771-H1799 PolarHBondContact N-CE1 3.41Å; S1771-H1799 VanDerWaalsContact N-CE1 3.35Å |
| 1772 | I | 79.4 | Confident | 74.8 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 179.2 | -64.6 | 160.9 | 0 | 0 | 0 | 110.1 | I1711 S1714 K1715 Q1718 E1768 V1769 S1774 T1775 V1776 | I1711-I1772 HydrophobicContact CG2-CD1 4.13Å; S1714-I1772 VanDerWaalsContact C-CG2 3.49Å; S1714-I1772 VanDerWaalsContact O-CG2 3.27Å; S1714-I1772 WeakPolarHBondContact O-CG2 3.11Å; K1715-I1772 HydrophobicContact CG-CD1 4Å; Q1718-I1772 HydrophobicContact CB-CG2 4.03Å; E1768-I1772 WeakPolarHBondContact O-CD1 3.31Å; E1768-I1772 VanDerWaalsContact O-CG1 3.28Å; E1768-I1772 WeakPolarHBondContact O-CG1 2.89Å; E1768-I1772 PolarHBondContact O-N 2.82Å; V1769-I1772 PolarHBondContact O-N 3.1Å; I1772-S1774 PolarHBondContact O-N 3.29Å; I1772-T1775 WeakPolarHBondContact O-CA 3.47Å; I1772-T1775 VanDerWaalsContact O-CB 3.25Å; I1772-T1775 WeakPolarHBondContact O-CB 3.37Å; I1772-T1775 PolarHBondContact O-N 3.37Å; I1772-V1776 PolarHBondContact O-N 3.41Å |
| 1773 | L | 83.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -34.9 | 179 | -65.9 | 175 | 0 | 0 | 0 | 113 | L1717 V1769 S1771 T1775 V1776 I1777 | L1717-L1773 HydrophobicContact CD2-CD2 3.55Å; V1769-L1773 HydrophobicContact CG1-CD1 3.91Å; V1769-L1773 WeakPolarHBondContact O-CG 3.4Å; V1769-L1773 PolarHBondContact O-N 2.79Å; S1771-L1773 PolarHBondContact O-N 3.34Å; L1773-T1775 PolarHBondContact O-N 3.23Å; L1773-V1776 WeakPolarHBondContact O-CB 3.36Å; L1773-V1776 PolarHBondContact O-N 3.05Å; L1773-I1777 WeakPolarHBondContact O-CG1 3.33Å; L1773-I1777 PolarHBondContact O-N 3.27Å |
| 1774 | S | 77.6 | Confident | 70.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -34.6 | 171.2 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | L1762 R1770 S1771 I1772 N1778 H1799 T1802 | L1762-S1774 WeakPolarHBondContact CD2-OG 3.16Å; R1770-S1774 VanDerWaalsContact O-CB 3.24Å; R1770-S1774 WeakPolarHBondContact O-CB 3.39Å; R1770-S1774 PolarHBondContact O-N 3.42Å; R1770-S1774 PolarHBondContact O-OG 3.39Å; S1771-S1774 PolarHBondContact O-N 3.05Å; I1772-S1774 PolarHBondContact O-N 3.29Å; S1774-N1778 WeakPolarHBondContact O-CB 3.5Å; S1774-N1778 PolarHBondContact O-N 2.89Å; S1774-N1778 VanDerWaalsContact O-N 3.08Å; S1774-N1778 PolarHBondContact O-ND2 3.29Å; S1774-H1799 PolarHBondContact OG-ND1 3.38Å; S1774-T1802 WeakPolarHBondContact O-CG2 3.45Å; S1774-T1802 PolarHBondContact OG-OG1 3.48Å; S1774-T1802 VanDerWaalsContact OG-OG1 3.04Å |
| 1775 | T | 76 | Confident | 68.2 | Low | 27 Ų | 27 | 36.6 Ų | 36.6 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -40.3 | 174.3 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | S1771 I1772 L1773 N1778 F1779 L1791 | S1771-T1775 PolarHBondContact O-N 3.35Å; S1771-T1775 PolarHBondContact O-OG1 2.74Å; I1772-T1775 WeakPolarHBondContact O-CA 3.47Å; I1772-T1775 VanDerWaalsContact O-CB 3.25Å; I1772-T1775 WeakPolarHBondContact O-CB 3.37Å; I1772-T1775 PolarHBondContact O-N 3.37Å; L1773-T1775 PolarHBondContact O-N 3.23Å; T1775-N1778 PolarHBondContact O-N 2.62Å; T1775-F1779 WeakPolarHBondContact O-CB 3.04Å; T1775-F1779 PolarHBondContact O-N 2.9Å; T1775-L1791 HydrophobicContact CG2-CD2 4.48Å |
| 1776 | V | 79.4 | Confident | 66.3 | Low | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -51 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 112 | L1717 Q1718 T1721 I1758 I1772 L1773 N1778 F1779 W1780 | L1717-V1776 HydrophobicContact CD2-CG1 4.38Å; L1717-V1776 HydrophobicContact CG-CG1 4.33Å; L1717-V1776 HydrophobicContact CG-CG2 4.3Å; Q1718-V1776 HydrophobicContact CB-CG2 3.99Å; Q1718-V1776 HydrophobicContact CG-CG2 4.45Å; T1721-V1776 HydrophobicContact CG2-CG1 3.79Å; I1758-V1776 HydrophobicContact CD1-CG1 4.41Å; I1772-V1776 PolarHBondContact O-N 3.41Å; L1773-V1776 WeakPolarHBondContact O-CB 3.36Å; L1773-V1776 PolarHBondContact O-N 3.05Å; V1776-N1778 VanDerWaalsContact C-N 3.32Å; V1776-N1778 PolarHBondContact O-N 3.42Å; V1776-F1779 WeakPolarHBondContact O-CA 3.48Å; V1776-F1779 VanDerWaalsContact O-CB 3.26Å; V1776-F1779 WeakPolarHBondContact O-CB 3.37Å; V1776-F1779 PolarHBondContact O-N 3.42Å; V1776-W1780 HydrophobicContact CG1-CZ2 4.2Å; V1776-W1780 PolarHBondContact O-N 2.99Å |
| 1777 | I | 78.1 | Confident | 64.2 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 179 | -67.8 | 166.7 | 0 | 0 | 0 | 111.2 | I1758 L1762 L1773 F1779 W1780 L1781 T1802 L1806 I1810 | I1758-I1777 HydrophobicContact CG2-CD1 3.58Å; I1758-I1777 HydrophobicContact CG2-CG1 3.7Å; L1762-I1777 HydrophobicContact CD1-CD1 3.6Å; L1762-I1777 HydrophobicContact CD2-CD1 4.04Å; L1762-I1777 HydrophobicContact CG-CD1 4.06Å; L1773-I1777 WeakPolarHBondContact O-CG1 3.33Å; L1773-I1777 PolarHBondContact O-N 3.27Å; I1777-F1779 PolarHBondContact O-N 3.08Å; I1777-W1780 PolarHBondContact O-N 2.91Å; I1777-L1781 HydrophobicContact CG2-CD1 4.08Å; I1777-L1781 PolarHBondContact O-N 3.48Å; I1777-T1802 HydrophobicContact CB-CG2 4.03Å; I1777-T1802 HydrophobicContact CG2-CG2 3.9Å; I1777-L1806 HydrophobicContact CD1-CB 4.35Å; I1777-L1806 HydrophobicContact CD1-CD1 4.36Å; I1777-L1806 HydrophobicContact CD1-CD2 4.33Å; I1777-L1806 HydrophobicContact CG1-CD1 4.39Å; I1777-I1810 HydrophobicContact CG2-CD1 3.78Å |
| 1778 | N | 74.8 | Confident | 62.4 | Low | 32 Ų | 32 | 42.5 Ų | 42.5 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -27 | 177.8 | -76.8 | -48.2 | 0 | 0 | 0 | 112.4 | S1774 T1775 V1776 T1802 K1805 | S1774-N1778 WeakPolarHBondContact O-CB 3.5Å; S1774-N1778 PolarHBondContact O-N 2.89Å; S1774-N1778 VanDerWaalsContact O-N 3.08Å; S1774-N1778 PolarHBondContact O-ND2 3.29Å; T1775-N1778 PolarHBondContact O-N 2.62Å; V1776-N1778 VanDerWaalsContact C-N 3.32Å; V1776-N1778 PolarHBondContact O-N 3.42Å; N1778-T1802 VanDerWaalsContact ND2-CG2 3.28Å; N1778-T1802 WeakPolarHBondContact ND2-CG2 3.49Å; N1778-K1805 PolarHBondContact OD1-NZ 2.87Å |
| 1779 | F | 70.5 | Confident | 60.3 | Low | 35 Ų | 35 | 41 Ų | 41 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 175.4 | -173.2 | -89.7 | 0 | 0 | 0 | 111.6 | T1721 L1722 H1725 T1775 V1776 I1777 L1781 K1782 | T1721-F1779 WeakPolarHBondContact O-CE1 3.12Å; L1722-F1779 HydrophobicContact CD2-CE2 3.92Å; L1722-F1779 HydrophobicContact CD2-CZ 3.99Å; H1725-F1779 HydrophobicContact CB-CZ 3.83Å; H1725-F1779 AromaticContact CD2-CE2 3.34Å; H1725-F1779 WeakPolarHBondContact CD2-CE2 3.41Å; H1725-F1779 AromaticContact CD2-CZ 3.23Å; H1725-F1779 WeakPolarHBondContact CD2-CZ 3.48Å; H1725-F1779 AromaticContact CG-CZ 3.76Å; H1725-F1779 AromaticContact NE2-CE2 3.91Å; T1775-F1779 WeakPolarHBondContact O-CB 3.04Å; T1775-F1779 PolarHBondContact O-N 2.9Å; V1776-F1779 WeakPolarHBondContact O-CA 3.48Å; V1776-F1779 VanDerWaalsContact O-CB 3.26Å; V1776-F1779 WeakPolarHBondContact O-CB 3.37Å; V1776-F1779 PolarHBondContact O-N 3.42Å; I1777-F1779 PolarHBondContact O-N 3.08Å; F1779-L1781 VanDerWaalsContact C-N 3.26Å; F1779-L1781 PolarHBondContact O-N 3.11Å; F1779-K1782 PolarHBondContact O-N 2.99Å |
| 1780 | W | 70.3 | Confident | 58.1 | Low | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -21.1 | 176.5 | -67.1 | -15.2 | 0 | 0 | 0 | 115 | W1720 T1721 Q1738 M1742 L1754 I1758 V1776 I1777 I1810 | W1720-W1780 HydrophobicContact CZ3-CZ2 4.32Å; T1721-W1780 HydrophobicContact CG2-CZ2 3.69Å; Q1738-W1780 PolarHBondContact OE1-O 3.36Å; M1742-W1780 HydrophobicContact CE-CD2 4.41Å; M1742-W1780 HydrophobicContact CE-CH2 3.66Å; M1742-W1780 HydrophobicContact CE-CZ2 3.39Å; M1742-W1780 HydrophobicContact CE-CZ3 4.28Å; M1742-W1780 HydrophobicContact SD-CD2 4.13Å; M1742-W1780 HydrophobicContact SD-CG 4.49Å; M1742-W1780 HydrophobicContact SD-CZ2 4.12Å; L1754-W1780 HydrophobicContact CD1-CH2 4.4Å; L1754-W1780 HydrophobicContact CD2-CH2 3.58Å; L1754-W1780 HydrophobicContact CD2-CZ2 4Å; L1754-W1780 HydrophobicContact CG-CH2 3.91Å; I1758-W1780 HydrophobicContact CD1-CE3 4.47Å; I1758-W1780 HydrophobicContact CD1-CH2 3.12Å; I1758-W1780 HydrophobicContact CD1-CZ2 4.05Å; I1758-W1780 HydrophobicContact CD1-CZ3 3.39Å; V1776-W1780 HydrophobicContact CG1-CZ2 4.2Å; V1776-W1780 PolarHBondContact O-N 2.99Å; I1777-W1780 PolarHBondContact O-N 2.91Å; W1780-I1810 HydrophobicContact CB-CD1 4.45Å; W1780-I1810 HydrophobicContact CE3-CD1 4.2Å; W1780-I1810 HydrophobicContact CE3-CG2 4.33Å |
| 1781 | L | 65.1 | Low | 55.8 | Low | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -7.9 | -177.2 | -73.2 | 169.1 | 0 | 0 | 0 | 114.1 | I1735 I1777 F1779 S1783 K1805 Q1809 I1810 | I1735-L1781 HydrophobicContact CD1-CD2 4.42Å; I1735-L1781 WeakPolarHBondContact CG1-O 3.36Å; I1735-L1781 HydrophobicContact CG2-CD2 4.42Å; I1777-L1781 HydrophobicContact CG2-CD1 4.08Å; I1777-L1781 PolarHBondContact O-N 3.48Å; F1779-L1781 VanDerWaalsContact C-N 3.26Å; F1779-L1781 PolarHBondContact O-N 3.11Å; L1781-S1783 PolarHBondContact O-N 3.34Å; L1781-K1805 HydrophobicContact CD1-CB 3.55Å; L1781-K1805 HydrophobicContact CD1-CD 3.73Å; L1781-K1805 HydrophobicContact CD1-CG 4.04Å; L1781-Q1809 HydrophobicContact CD2-CB 4.01Å; L1781-I1810 HydrophobicContact CD1-CD1 3.89Å; L1781-I1810 HydrophobicContact CD1-CG1 4.18Å; L1781-I1810 HydrophobicContact CD2-CD1 4.07Å; L1781-I1810 HydrophobicContact CD2-CG1 3.66Å; L1781-I1810 HydrophobicContact CG-CD1 3.78Å; L1781-I1810 HydrophobicContact CG-CG1 3.96Å |
| 1782 | K | 54.9 | Low | 53.8 | Low | 66 Ų | 66 | 56 Ų | 56 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | trans | -75 | 92.7 | 179.7 | -90.7 | -176.2 | -174.7 | 166.6 | 0 | 110.9 | C328 S329 F1779 S1784 | C328-K1782 VanDerWaalsContact CB-CE 3.49Å; C328-K1782 VanDerWaalsContact SG-CE 3.57Å; C328-K1782 PolarHBondContact SG-NZ 3.25Å; S329-K1782 WeakPolarHBondContact OG-CE 3.31Å; F1779-K1782 PolarHBondContact O-N 2.99Å; K1782-S1784 PolarHBondContact O-N 2.78Å | ||
| 1783 | S | 39.9 | Very low | 51.5 | Low | 34 Ų | 34 | 59.1 Ų | 59.1 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | trans | -71.2 | 108.2 | 151.4 | 56.1 | 0 | 0 | 0 | 0 | 108.9 | L1781 | L1781-S1783 PolarHBondContact O-N 3.34Š| ||
| 1784 | S | 31.3 | Very low | 49.2 | Very low | 81 Ų | 81 | 65.7 Ų | 65.7 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 46.5 | 80.1 | 153.4 | 63.6 | 0 | 0 | 0 | 0 | 117.9 | K1782 | K1782-S1784 PolarHBondContact O-N 2.78Š|
| 1785 | I | 29.3 | Very low | 47.3 | Very low | 87 Ų | 87 | 69.2 Ų | 69.2 | 45% | 0.446 | 37% | 0.368 | S | S | . | . | trans | -139.4 | 107.4 | 149.4 | -58 | -178.8 | 0 | 0 | 0 | 109.7 | C328 | C328-I1785 PolarHBondContact SG-O 2.98Š| ||
| 1786 | N | 30 | Very low | 45.5 | Very low | 133 Ų | 133 | 71 Ų | 71 | 71% | 0.711 | 39% | 0.386 | S | S | * | . | trans | -15.9 | 141.4 | 166.8 | -74.4 | -33.8 | 0 | 0 | 0 | 119.4 | ||||
| 1787 | Q | 30.5 | Very low | 43.7 | Very low | 91 Ų | 91 | 75.5 Ų | 75.5 | 43% | 0.425 | 41% | 0.41 | S | S | . | . | trans | 89.7 | 97.5 | 154.4 | -69.8 | -178.1 | -29.7 | 0 | 0 | 119.5 | K325 S327 N1789 | K325-Q1787 VanDerWaalsContact CD-OE1 3.25Å; K325-Q1787 VanDerWaalsContact NZ-NE2 3.19Å; S327-Q1787 WeakPolarHBondContact CB-O 3.42Å; Q1787-N1789 PolarHBondContact O-N 2.76Å | ||
| 1788 | T | 29.8 | Very low | 42.6 | Very low | 118 Ų | 118 | 76.8 Ų | 76.8 | 72% | 0.724 | 42% | 0.418 | S | S | * | . | 15.9 | 86.8 | 120.1 | 58.7 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1789 | N | 32.4 | Very low | 42 | Very low | 84 Ų | 84 | 75.6 Ų | 75.6 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | trans | -179.2 | 121 | 143 | -90.9 | -22.2 | 0 | 0 | 0 | 110.7 | Q1787 | Q1787-N1789 PolarHBondContact O-N 2.76Š| ||
| 1790 | S | 32.7 | Very low | 41.5 | Very low | 72 Ų | 72 | 76.1 Ų | 76.1 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | trans | 65.5 | 116.3 | 158.7 | 67.2 | 0 | 0 | 0 | 0 | 120.3 | H1792 | S1790-H1792 PolarHBondContact O-N 2.84Š| ||
| 1791 | L | 30.9 | Very low | 41.3 | Very low | 110 Ų | 110 | 80 Ų | 80 | 58% | 0.576 | 44% | 0.435 | S | S | * | . | trans | -68.4 | 26.1 | 169.4 | -93.3 | 137.1 | 0 | 0 | 0 | 114.9 | Q1718 T1775 F1793 | Q1718-L1791 VanDerWaalsContact NE2-CD2 3.28Å; T1775-L1791 HydrophobicContact CG2-CD2 4.48Å; L1791-F1793 PolarHBondContact O-N 3.02Å | ||
| 1792 | H | 33.2 | Very low | 41.7 | Very low | 162 Ų | 162 | 79.2 Ų | 79.2 | 75% | 0.75 | 43% | 0.432 | S | S | * | . | trans | -101.2 | 67 | -170.9 | -69 | -46.4 | 0 | 0 | 0 | 113.7 | S1790 | S1790-H1792 PolarHBondContact O-N 2.84Š| ||
| 1793 | F | 32.1 | Very low | 42.7 | Very low | 86 Ų | 86 | 76.1 Ų | 76.1 | 38% | 0.377 | 42% | 0.418 | S | S | . | . | trans | -104.6 | 72.7 | 168.4 | -80.2 | -81.2 | 0 | 0 | 0 | 111.5 | L1791 H1795 | L1791-F1793 PolarHBondContact O-N 3.02Å; F1793-H1795 PolarHBondContact O-N 3.04Å | ||
| 1794 | N | 34.4 | Very low | 44.3 | Very low | 137 Ų | 137 | 77.9 Ų | 77.9 | 73% | 0.733 | 42% | 0.423 | S | S | * | . | trans | -85.9 | 90.9 | 161.4 | -80.3 | -11.5 | 0 | 0 | 0 | 108.5 | S1771 | S1771-N1794 PolarHBondContact OG-OD1 3.02Š| ||
| 1795 | H | 38.8 | Very low | 46.3 | Very low | 75 Ų | 75 | 76.5 Ų | 76.5 | 35% | 0.347 | 41% | 0.406 | S | S | . | . | trans | -129.8 | 115.5 | 169.1 | -83.4 | 41 | 0 | 0 | 0 | 109.4 | Y273 F1793 N1797 T1798 | Y273-H1795 AromaticContact CE1-NE2 3.54Å; F1793-H1795 PolarHBondContact O-N 3.04Å; H1795-N1797 PolarHBondContact O-N 3.39Å; H1795-N1797 VanDerWaalsContact O-N 3.13Å; H1795-T1798 HydrophobicContact CB-CG2 3.8Å; H1795-T1798 WeakPolarHBondContact O-CB 3.48Å; H1795-T1798 PolarHBondContact O-N 2.96Å; H1795-T1798 PolarHBondContact O-OG1 3.46Å | ||
| 1796 | A | 38.4 | Very low | 48.7 | Very low | 64 Ų | 64 | 72.4 Ų | 72.4 | 53% | 0.529 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1798 H1799 | A1796-T1798 VanDerWaalsContact C-N 3.31Å; A1796-T1798 PolarHBondContact O-N 3.45Å; A1796-H1799 PolarHBondContact O-CD2 3.21Å |
| 1797 | N | 40.2 | Very low | 50.9 | Low | 97 Ų | 97 | 66.4 Ų | 66.4 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 8.1 | 179.2 | -71.6 | -15 | 0 | 0 | 0 | 114.6 | H1795 | H1795-N1797 PolarHBondContact O-N 3.39Å; H1795-N1797 VanDerWaalsContact O-N 3.13Å |
| 1798 | T | 54.6 | Low | 52.9 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 17% | 0.166 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76 | -29.3 | 179.8 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | H1795 A1796 L1800 I1801 T1802 | H1795-T1798 HydrophobicContact CB-CG2 3.8Å; H1795-T1798 WeakPolarHBondContact O-CB 3.48Å; H1795-T1798 PolarHBondContact O-N 2.96Å; H1795-T1798 PolarHBondContact O-OG1 3.46Å; A1796-T1798 VanDerWaalsContact C-N 3.31Å; A1796-T1798 PolarHBondContact O-N 3.45Å; T1798-L1800 PolarHBondContact O-N 2.86Å; T1798-I1801 PolarHBondContact O-N 2.85Å; T1798-I1801 VanDerWaalsContact O-N 3.1Å; T1798-T1802 PolarHBondContact O-N 3.32Å; T1798-T1802 PolarHBondContact O-OG1 3.32Å |
| 1799 | H | 62.2 | Low | 55.1 | Low | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | -171 | -47.7 | -41.5 | 0 | 0 | 0 | 113.9 | R1770 S1771 S1774 A1796 T1802 L1803 | R1770-H1799 PolarHBondContact O-CE1 3.39Å; R1770-H1799 PolarHBondContact O-ND1 3.38Å; S1771-H1799 PolarHBondContact N-CE1 3.41Å; S1771-H1799 VanDerWaalsContact N-CE1 3.35Å; S1774-H1799 PolarHBondContact OG-ND1 3.38Å; A1796-H1799 PolarHBondContact O-CD2 3.21Å; H1799-T1802 VanDerWaalsContact CA-OG1 3.23Å; H1799-T1802 WeakPolarHBondContact CA-OG1 3.27Å; H1799-T1802 PolarHBondContact O-OG1 3.02Å; H1799-L1803 WeakPolarHBondContact O-CB 3.32Å; H1799-L1803 PolarHBondContact O-N 3.13Å |
| 1800 | L | 61 | Low | 57.2 | Low | 47 Ų | 47 | 62.1 Ų | 62.1 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 176.9 | -75.4 | 162.7 | 0 | 0 | 0 | 111.7 | T1798 H1804 L1891 Q1892 L1895 | T1798-L1800 PolarHBondContact O-N 2.86Å; L1800-H1804 WeakPolarHBondContact O-CB 3.37Å; L1800-H1804 PolarHBondContact O-N 3.39Å; L1800-L1891 HydrophobicContact CD1-CB 4.07Å; L1800-L1891 HydrophobicContact CD1-CD1 4.29Å; L1800-L1891 HydrophobicContact CD2-CB 4.01Å; L1800-Q1892 HydrophobicContact CD2-CB 4.29Å; L1800-Q1892 HydrophobicContact CD2-CG 3.7Å; L1800-Q1892 HydrophobicContact CG-CG 4.31Å; L1800-L1895 HydrophobicContact CD2-CB 4.45Å; L1800-L1895 HydrophobicContact CD2-CD1 4.39Å |
| 1801 | I | 66.4 | Low | 59.4 | Low | 87 Ų | 87 | 58.9 Ų | 58.9 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.6 | -43.2 | 178.8 | -60.9 | 172.9 | 0 | 0 | 0 | 110.1 | T1798 H1804 K1805 | T1798-I1801 PolarHBondContact O-N 2.85Å; T1798-I1801 VanDerWaalsContact O-N 3.1Å; I1801-H1804 PolarHBondContact O-N 2.74Å; I1801-K1805 HydrophobicContact CG2-CD 4.06Å; I1801-K1805 HydrophobicContact CG2-CG 4.41Å; I1801-K1805 WeakPolarHBondContact O-CB 3.28Å; I1801-K1805 VanDerWaalsContact O-CG 3.26Å; I1801-K1805 WeakPolarHBondContact O-CG 3.48Å; I1801-K1805 PolarHBondContact O-N 3.22Å |
| 1802 | T | 73.4 | Confident | 61.4 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 176.2 | 33.2 | 0 | 0 | 0 | 0 | 111.9 | S1774 I1777 N1778 T1798 H1799 K1805 L1806 | S1774-T1802 WeakPolarHBondContact O-CG2 3.45Å; S1774-T1802 PolarHBondContact OG-OG1 3.48Å; S1774-T1802 VanDerWaalsContact OG-OG1 3.04Å; I1777-T1802 HydrophobicContact CB-CG2 4.03Å; I1777-T1802 HydrophobicContact CG2-CG2 3.9Å; N1778-T1802 VanDerWaalsContact ND2-CG2 3.28Å; N1778-T1802 WeakPolarHBondContact ND2-CG2 3.49Å; T1798-T1802 PolarHBondContact O-N 3.32Å; T1798-T1802 PolarHBondContact O-OG1 3.32Å; H1799-T1802 VanDerWaalsContact CA-OG1 3.23Å; H1799-T1802 WeakPolarHBondContact CA-OG1 3.27Å; H1799-T1802 PolarHBondContact O-OG1 3.02Å; T1802-K1805 PolarHBondContact O-N 3.16Å; T1802-L1806 WeakPolarHBondContact O-CB 3.25Å; T1802-L1806 PolarHBondContact O-N 2.65Å |
| 1803 | L | 76.2 | Confident | 63.3 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 171.5 | -177.5 | 64.1 | 0 | 0 | 0 | 110.9 | F1759 L1762 F1763 H1799 K1805 L1806 L1807 Q1892 L1895 L1896 | F1759-L1803 HydrophobicContact CD2-CD1 4.09Å; F1759-L1803 HydrophobicContact CE2-CD1 3.77Å; L1762-L1803 HydrophobicContact CD1-CB 4.22Å; L1762-L1803 HydrophobicContact CD1-CD1 3.99Å; F1763-L1803 HydrophobicContact CE2-CD1 4.05Å; F1763-L1803 HydrophobicContact CE2-CD2 4.15Å; F1763-L1803 HydrophobicContact CZ-CD2 3.88Å; H1799-L1803 WeakPolarHBondContact O-CB 3.32Å; H1799-L1803 PolarHBondContact O-N 3.13Å; L1803-K1805 PolarHBondContact O-N 2.98Å; L1803-L1806 WeakPolarHBondContact O-CB 3.44Å; L1803-L1806 PolarHBondContact O-N 3.4Å; L1803-L1807 HydrophobicContact CD1-CD1 4.19Å; L1803-L1807 HydrophobicContact CD1-CG 4.36Å; L1803-L1807 HydrophobicContact CG-CD1 4.12Å; L1803-L1807 WeakPolarHBondContact O-CB 3.44Å; L1803-L1807 VanDerWaalsContact O-CG 3.29Å; L1803-L1807 WeakPolarHBondContact O-CG 3.37Å; L1803-L1807 PolarHBondContact O-N 3.25Å; L1803-Q1892 HydrophobicContact CD2-CB 3.97Å; L1803-Q1892 HydrophobicContact CD2-CG 4.21Å; L1803-L1895 HydrophobicContact CD2-CD2 4.36Å; L1803-L1895 HydrophobicContact CG-CD2 4.48Å; L1803-L1896 HydrophobicContact CD1-CD1 4.27Å; L1803-L1896 HydrophobicContact CD2-CD1 4.16Å; L1803-L1896 HydrophobicContact CG-CD1 4.49Å |
| 1804 | H | 71.9 | Confident | 65.3 | Low | 72 Ų | 72 | 47.4 Ų | 47.4 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.7 | -174.6 | 71.1 | 0 | 0 | 0 | 112.3 | L1800 I1801 L1807 K1808 L1895 | L1800-H1804 WeakPolarHBondContact O-CB 3.37Å; L1800-H1804 PolarHBondContact O-N 3.39Å; I1801-H1804 PolarHBondContact O-N 2.74Å; H1804-L1807 PolarHBondContact O-N 2.96Å; H1804-K1808 WeakPolarHBondContact NE2-CD 3.45Å; H1804-K1808 WeakPolarHBondContact O-CB 3.43Å; H1804-K1808 PolarHBondContact O-N 3.07Å; H1804-L1895 HydrophobicContact CB-CD2 4.13Å |
| 1805 | K | 74.1 | Confident | 67.3 | Low | 52 Ų | 52 | 41.3 Ų | 41.3 | 23% | 0.226 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 176.7 | -76 | 172.6 | 172.2 | -171.1 | 0 | 112.3 | N1778 L1781 I1801 T1802 L1803 Q1809 I1810 | N1778-K1805 PolarHBondContact OD1-NZ 2.87Å; L1781-K1805 HydrophobicContact CD1-CB 3.55Å; L1781-K1805 HydrophobicContact CD1-CD 3.73Å; L1781-K1805 HydrophobicContact CD1-CG 4.04Å; I1801-K1805 HydrophobicContact CG2-CD 4.06Å; I1801-K1805 HydrophobicContact CG2-CG 4.41Å; I1801-K1805 WeakPolarHBondContact O-CB 3.28Å; I1801-K1805 VanDerWaalsContact O-CG 3.26Å; I1801-K1805 WeakPolarHBondContact O-CG 3.48Å; I1801-K1805 PolarHBondContact O-N 3.22Å; T1802-K1805 PolarHBondContact O-N 3.16Å; L1803-K1805 PolarHBondContact O-N 2.98Å; K1805-Q1809 WeakPolarHBondContact O-CB 3.48Å; K1805-Q1809 PolarHBondContact O-N 3.27Å; K1805-I1810 PolarHBondContact O-N 2.7Å |
| 1806 | L | 80.5 | Confident | 68.6 | Low | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -56.9 | -54 | 175.5 | -179.3 | 72.1 | 0 | 0 | 0 | 109.6 | L1755 I1758 F1759 L1762 I1777 T1802 L1803 K1808 I1810 V1811 | L1755-L1806 HydrophobicContact CD2-CD1 3.98Å; I1758-L1806 HydrophobicContact CG2-CD1 4.28Å; I1758-L1806 HydrophobicContact CG2-CD2 4.23Å; F1759-L1806 HydrophobicContact CD2-CD2 4.13Å; L1762-L1806 HydrophobicContact CD1-CD2 3.89Å; I1777-L1806 HydrophobicContact CD1-CB 4.35Å; I1777-L1806 HydrophobicContact CD1-CD1 4.36Å; I1777-L1806 HydrophobicContact CD1-CD2 4.33Å; I1777-L1806 HydrophobicContact CG1-CD1 4.39Å; T1802-L1806 WeakPolarHBondContact O-CB 3.25Å; T1802-L1806 PolarHBondContact O-N 2.65Å; L1803-L1806 WeakPolarHBondContact O-CB 3.44Å; L1803-L1806 PolarHBondContact O-N 3.4Å; L1806-K1808 PolarHBondContact O-N 3.38Å; L1806-I1810 HydrophobicContact CD1-CB 4.13Å; L1806-I1810 HydrophobicContact CD1-CD1 4.23Å; L1806-I1810 HydrophobicContact CD1-CG2 4.06Å; L1806-I1810 PolarHBondContact O-N 3.48Å; L1806-V1811 HydrophobicContact CD1-CG2 4.39Å; L1806-V1811 HydrophobicContact CG-CG2 4.08Å; L1806-V1811 WeakPolarHBondContact O-CG2 3.43Å; L1806-V1811 PolarHBondContact O-N 2.9Å |
| 1807 | L | 75.7 | Confident | 69.5 | Low | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -66.3 | -38 | -177.6 | -67 | 175.7 | 0 | 0 | 0 | 113.8 | F1759 L1803 H1804 P1812 W1849 L1850 L1896 | F1759-L1807 HydrophobicContact CE2-CD2 4.16Å; L1803-L1807 HydrophobicContact CD1-CD1 4.19Å; L1803-L1807 HydrophobicContact CD1-CG 4.36Å; L1803-L1807 HydrophobicContact CG-CD1 4.12Å; L1803-L1807 WeakPolarHBondContact O-CB 3.44Å; L1803-L1807 VanDerWaalsContact O-CG 3.29Å; L1803-L1807 WeakPolarHBondContact O-CG 3.37Å; L1803-L1807 PolarHBondContact O-N 3.25Å; H1804-L1807 PolarHBondContact O-N 2.96Å; L1807-P1812 WeakPolarHBondContact O-CD 3.12Å; L1807-P1812 WeakPolarHBondContact O-CG 3.45Å; L1807-W1849 HydrophobicContact CD2-CZ3 4.24Å; L1807-L1850 HydrophobicContact CD2-CD1 3.35Å; L1807-L1896 HydrophobicContact CD1-CD1 3.68Å; L1807-L1896 HydrophobicContact CD1-CG 4.47Å |
| 1808 | K | 73.1 | Confident | 69.9 | Low | 121 Ų | 121 | 44.2 Ų | 44.2 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -89.8 | -31.8 | -173 | -169.2 | 174.5 | 179.8 | 178.2 | 0 | 114.2 | H1804 L1806 Y1899 | H1804-K1808 WeakPolarHBondContact NE2-CD 3.45Å; H1804-K1808 WeakPolarHBondContact O-CB 3.43Å; H1804-K1808 PolarHBondContact O-N 3.07Å; L1806-K1808 PolarHBondContact O-N 3.38Å; K1808-Y1899 WeakPolarHBondContact CA-OH 3.4Å; K1808-Y1899 HydrophobicContact CB-CE2 4.4Å |
| 1809 | Q | 75.4 | Confident | 69.4 | Low | 82 Ų | 82 | 49.7 Ų | 49.7 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -116.1 | -43.9 | -171.2 | -62.4 | 180 | -17.3 | 0 | 0 | 112.4 | L1781 K1805 L1813 | L1781-Q1809 HydrophobicContact CD2-CB 4.01Å; K1805-Q1809 WeakPolarHBondContact O-CB 3.48Å; K1805-Q1809 PolarHBondContact O-N 3.27Å; Q1809-L1813 WeakPolarHBondContact O-CD1 3.34Å; Q1809-L1813 VanDerWaalsContact O-CG 3.24Å; Q1809-L1813 WeakPolarHBondContact O-CG 3.42Å |
| 1810 | I | 75.9 | Confident | 68.1 | Low | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -85.3 | -52.8 | -171.3 | -60.1 | -175.1 | 0 | 0 | 0 | 111.4 | L1755 I1777 W1780 L1781 K1805 L1806 L1813 L1814 | L1755-I1810 HydrophobicContact CD2-CG2 4.23Å; I1777-I1810 HydrophobicContact CG2-CD1 3.78Å; W1780-I1810 HydrophobicContact CB-CD1 4.45Å; W1780-I1810 HydrophobicContact CE3-CD1 4.2Å; W1780-I1810 HydrophobicContact CE3-CG2 4.33Å; L1781-I1810 HydrophobicContact CD1-CD1 3.89Å; L1781-I1810 HydrophobicContact CD1-CG1 4.18Å; L1781-I1810 HydrophobicContact CD2-CD1 4.07Å; L1781-I1810 HydrophobicContact CD2-CG1 3.66Å; L1781-I1810 HydrophobicContact CG-CD1 3.78Å; L1781-I1810 HydrophobicContact CG-CG1 3.96Å; K1805-I1810 PolarHBondContact O-N 2.7Å; L1806-I1810 HydrophobicContact CD1-CB 4.13Å; L1806-I1810 HydrophobicContact CD1-CD1 4.23Å; L1806-I1810 HydrophobicContact CD1-CG2 4.06Å; L1806-I1810 PolarHBondContact O-N 3.48Å; I1810-L1813 PolarHBondContact O-N 3.22Å; I1810-L1814 HydrophobicContact CG2-CD1 3.46Å; I1810-L1814 VanDerWaalsContact CG2-CD1 3.46Å; I1810-L1814 HydrophobicContact CG2-CG 4.31Å; I1810-L1814 WeakPolarHBondContact O-CB 3.3Å; I1810-L1814 PolarHBondContact O-N 3.44Å |
| 1811 | V | 80 | Confident | 67 | Low | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58 | -48.2 | -176.3 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | L1755 L1806 L1813 L1814 L1815 W1849 | L1755-V1811 HydrophobicContact CD1-CG2 4.45Å; L1755-V1811 HydrophobicContact CD2-CG2 4.06Å; L1806-V1811 HydrophobicContact CD1-CG2 4.39Å; L1806-V1811 HydrophobicContact CG-CG2 4.08Å; L1806-V1811 WeakPolarHBondContact O-CG2 3.43Å; L1806-V1811 PolarHBondContact O-N 2.9Å; V1811-L1813 VanDerWaalsContact C-N 3.33Å; V1811-L1813 PolarHBondContact O-N 3.03Å; V1811-L1814 PolarHBondContact O-N 3.05Å; V1811-L1815 HydrophobicContact CG1-CD1 3.77Å; V1811-L1815 WeakPolarHBondContact O-CB 3.47Å; V1811-L1815 WeakPolarHBondContact O-CG 3.44Å; V1811-L1815 PolarHBondContact O-N 3.13Å; V1811-L1815 VanDerWaalsContact O-N 3.09Å; V1811-W1849 HydrophobicContact CG1-CE3 3.82Å; V1811-W1849 HydrophobicContact CG1-CZ3 4Å; V1811-W1849 HydrophobicContact CG2-CE3 4.32Å; V1811-W1849 HydrophobicContact CG2-CH2 4Å; V1811-W1849 HydrophobicContact CG2-CZ3 3.7Å |
| 1812 | P | 71.7 | Confident | 65.6 | Low | 45 Ų | 45 | 64.6 Ų | 64.6 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | -179.8 | -21.6 | 34.6 | 0 | 0 | 0 | 112.3 | L1807 L1816 | L1807-P1812 WeakPolarHBondContact O-CD 3.12Å; L1807-P1812 WeakPolarHBondContact O-CG 3.45Å; P1812-L1816 WeakPolarHBondContact O-CB 3.34Å; P1812-L1816 PolarHBondContact O-N 3.11Å |
| 1813 | L | 73.8 | Confident | 63.6 | Low | 68 Ų | 68 | 71.3 Ų | 71.3 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.6 | -42.5 | -179.3 | -70.4 | 177.1 | 0 | 0 | 0 | 112.3 | I1735 I1739 K1743 Q1809 I1810 V1811 | I1735-L1813 HydrophobicContact CG2-CD1 4.29Å; I1739-L1813 HydrophobicContact CD1-CB 3.8Å; I1739-L1813 HydrophobicContact CD1-CD1 3.6Å; I1739-L1813 HydrophobicContact CD1-CG 4.36Å; I1739-L1813 HydrophobicContact CG2-CB 4.14Å; K1743-L1813 WeakPolarHBondContact CE-O 3.49Å; K1743-L1813 PolarHBondContact NZ-O 3.37Å; Q1809-L1813 WeakPolarHBondContact O-CD1 3.34Å; Q1809-L1813 VanDerWaalsContact O-CG 3.24Å; Q1809-L1813 WeakPolarHBondContact O-CG 3.42Å; I1810-L1813 PolarHBondContact O-N 3.22Å; V1811-L1813 VanDerWaalsContact C-N 3.33Å; V1811-L1813 PolarHBondContact O-N 3.03Å |
| 1814 | L | 74.5 | Confident | 61.5 | Low | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -71.1 | -29.4 | -179.6 | -87.7 | 169.8 | 0 | 0 | 0 | 113 | I1739 M1742 R1751 L1755 I1810 V1811 | I1739-L1814 HydrophobicContact CG2-CD2 4.06Å; I1739-L1814 HydrophobicContact CG2-CG 4.14Å; M1742-L1814 HydrophobicContact CB-CD2 4.36Å; R1751-L1814 HydrophobicContact CG-CD2 4.14Å; R1751-L1814 PolarHBondContact NH1-O 3.4Å; L1755-L1814 HydrophobicContact CD1-CB 4.28Å; L1755-L1814 HydrophobicContact CD1-CD1 4.47Å; L1755-L1814 HydrophobicContact CD2-CD1 4.09Å; L1755-L1814 HydrophobicContact CG-CD1 4.4Å; I1810-L1814 HydrophobicContact CG2-CD1 3.46Å; I1810-L1814 VanDerWaalsContact CG2-CD1 3.46Å; I1810-L1814 HydrophobicContact CG2-CG 4.31Å; I1810-L1814 WeakPolarHBondContact O-CB 3.3Å; I1810-L1814 PolarHBondContact O-N 3.44Å; V1811-L1814 PolarHBondContact O-N 3.05Å |
| 1815 | L | 75.2 | Confident | 59.7 | Low | 9 Ų | 9 | 83.5 Ų | 83.5 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -92.2 | -4.2 | 179.2 | -62.9 | 179 | 0 | 0 | 0 | 113.7 | K1752 L1755 V1811 N1817 W1849 | K1752-L1815 HydrophobicContact CD-CD2 4.45Å; K1752-L1815 HydrophobicContact CG-CD2 3.61Å; L1755-L1815 HydrophobicContact CD1-CD1 4.44Å; L1755-L1815 HydrophobicContact CD1-CD2 4.08Å; L1755-L1815 HydrophobicContact CD1-CG 4.1Å; V1811-L1815 HydrophobicContact CG1-CD1 3.77Å; V1811-L1815 WeakPolarHBondContact O-CB 3.47Å; V1811-L1815 WeakPolarHBondContact O-CG 3.44Å; V1811-L1815 PolarHBondContact O-N 3.13Å; V1811-L1815 VanDerWaalsContact O-N 3.09Å; L1815-N1817 PolarHBondContact O-N 3.38Å; L1815-W1849 HydrophobicContact CD1-CB 4.07Å; L1815-W1849 HydrophobicContact CD1-CD2 4.48Å; L1815-W1849 HydrophobicContact CD1-CG 4.13Å |
| 1816 | L | 67.3 | Low | 57.6 | Low | 65 Ų | 65 | 87.6 Ų | 87.6 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | trans | -69.3 | 118.5 | 175.4 | -123.8 | 150.2 | 0 | 0 | 0 | 111 | K1743 P1812 E1818 | K1743-L1816 PolarHBondContact NZ-O 3.31Å; P1812-L1816 WeakPolarHBondContact O-CB 3.34Å; P1812-L1816 PolarHBondContact O-N 3.11Å; L1816-E1818 HydrophobicContact CD2-CG 4.33Å | ||
| 1817 | N | 56.9 | Low | 55.1 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 46% | 0.46 | 49% | 0.486 | S | S | . | . | trans | -92.7 | 109.8 | 166.8 | -88.5 | -19 | 0 | 0 | 0 | 109.2 | I1748 L1815 N1819 | I1748-N1817 WeakPolarHBondContact CD1-OD1 3.38Å; L1815-N1817 PolarHBondContact O-N 3.38Å; N1817-N1819 PolarHBondContact O-N 2.94Å | ||
| 1818 | E | 48.8 | Very low | 53 | Low | 146 Ų | 146 | 100.1 Ų | 100.1 | 68% | 0.682 | 52% | 0.516 | S | S | * | . | trans | -82.8 | 16 | 174.1 | -72.5 | -172.2 | 164.5 | 0 | 0 | 113.3 | L1816 N1820 | L1816-E1818 HydrophobicContact CD2-CG 4.33Å; E1818-N1820 VanDerWaalsContact C-N 3.26Å; E1818-N1820 PolarHBondContact O-N 3.34Å | ||
| 1819 | N | 43.8 | Very low | 50.9 | Low | 142 Ų | 142 | 102 Ų | 102 | 76% | 0.759 | 53% | 0.532 | S | S | * | . | trans | -74.8 | 76.9 | -179.9 | -70.7 | -2.1 | 0 | 0 | 0 | 111.3 | N1817 | N1817-N1819 PolarHBondContact O-N 2.94Š| ||
| 1820 | N | 33.9 | Very low | 48.7 | Very low | 149 Ų | 149 | 105.5 Ų | 105.5 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | trans | -141.3 | 26.6 | 161.8 | -90.9 | -18.6 | 0 | 0 | 0 | 111.6 | E1818 | E1818-N1820 VanDerWaalsContact C-N 3.26Å; E1818-N1820 PolarHBondContact O-N 3.34Å | ||
| 1821 | D | 39.3 | Very low | 46.4 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | trans | -92.7 | 5.5 | 176.4 | -95.1 | -22.1 | 0 | 0 | 0 | 114.3 | D1823 K1824 | D1821-D1823 VanDerWaalsContact C-N 3.32Å; D1821-D1823 PolarHBondContact O-N 3.29Å; D1821-K1824 WeakPolarHBondContact OD1-CE 3.32Å; D1821-K1824 IonicContact OD1-NZ 3.27Å; D1821-K1824 PolarHBondContact OD1-NZ 3.44Å | ||
| 1822 | E | 36.4 | Very low | 44 | Very low | 193 Ų | 193 | 118 Ų | 118 | 90% | 0.902 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -10.2 | 171.4 | -78.2 | -165.2 | 162 | 0 | 0 | 114.5 | ||
| 1823 | D | 32.2 | Very low | 42 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 13.9 | -175.9 | -89.4 | -14.6 | 0 | 0 | 0 | 115.7 | D1821 N1825 | D1821-D1823 VanDerWaalsContact C-N 3.32Å; D1821-D1823 PolarHBondContact O-N 3.29Å; D1823-N1825 VanDerWaalsContact C-N 3.32Å; D1823-N1825 PolarHBondContact O-N 2.94Å |
| 1824 | K | 32.1 | Very low | 39.8 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 8.7 | 179.9 | -85.3 | -179.6 | -176.2 | 147.1 | 0 | 116.2 | D1821 | D1821-K1824 WeakPolarHBondContact OD1-CE 3.32Å; D1821-K1824 IonicContact OD1-NZ 3.27Å; D1821-K1824 PolarHBondContact OD1-NZ 3.44Å |
| 1825 | N | 32.4 | Very low | 37.7 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 18.7 | 177.8 | -98.7 | -9 | 0 | 0 | 0 | 116 | D1823 | D1823-N1825 VanDerWaalsContact C-N 3.32Å; D1823-N1825 PolarHBondContact O-N 2.94Å |
| 1826 | I | 30.7 | Very low | 35.5 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | -117.7 | 92.3 | 169.5 | -54.7 | 179.4 | 0 | 0 | 0 | 110.2 | S1828 | I1826-S1828 PolarHBondContact O-N 3.36Š| ||
| 1827 | N | 28.6 | Very low | 33.8 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -56.1 | 103.6 | 159.8 | -92.4 | -23.5 | 0 | 0 | 0 | 109.6 | ||||
| 1828 | S | 30.5 | Very low | 32.8 | Very low | 96 Ų | 96 | 146.3 Ų | 146.3 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -152.2 | 124.1 | 152.6 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | I1826 N1830 | I1826-S1828 PolarHBondContact O-N 3.36Å; S1828-N1830 PolarHBondContact O-N 3.21Å | ||
| 1829 | N | 29.1 | Very low | 32.1 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -55.2 | 118.4 | 170.4 | -69 | -33.3 | 0 | 0 | 0 | 109.7 | ||||
| 1830 | N | 28.6 | Very low | 31.8 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -159.2 | 90.5 | 148 | -94.8 | -19.5 | 0 | 0 | 0 | 107.5 | S1828 | S1828-N1830 PolarHBondContact O-N 3.21Š| ||
| 1831 | T | 28.8 | Very low | 32 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | -58.4 | 143.4 | 156.4 | 42.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1832 | D | 30.4 | Very low | 32.2 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 91 | 80.2 | 172.3 | -47 | -26 | 0 | 0 | 0 | 115.7 | ||
| 1833 | N | 28.5 | Very low | 32.7 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 168.5 | 7.1 | 131.8 | -86.2 | -24.8 | 0 | 0 | 0 | 117.2 | ||
| 1834 | K | 28.6 | Very low | 33.8 | Very low | 191 Ų | 191 | 129.3 Ų | 129.3 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | trans | -93.3 | 11.2 | -175.6 | -86 | -173.3 | 177.1 | -179.1 | 0 | 117.5 | H1836 | K1834-H1836 PolarHBondContact O-N 3.3Å; K1834-H1836 VanDerWaalsContact O-N 3.15Å | ||
| 1835 | M | 29.5 | Very low | 35.4 | Very low | 176 Ų | 176 | 125 Ų | 125 | 87% | 0.867 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 7.2 | -175 | -147.5 | 170.6 | -179.9 | 0 | 0 | 115.5 | ||
| 1836 | H | 29.5 | Very low | 37.1 | Very low | 179 Ų | 179 | 118 Ų | 118 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | 10.3 | -175.5 | -76.4 | -46.7 | 0 | 0 | 0 | 117.4 | K1834 | K1834-H1836 PolarHBondContact O-N 3.3Å; K1834-H1836 VanDerWaalsContact O-N 3.15Å |
| 1837 | S | 31.4 | Very low | 38.7 | Very low | 81 Ų | 81 | 111.7 Ų | 111.7 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -111.4 | -13.4 | 178.4 | 69.8 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1838 | S | 35.3 | Very low | 40.5 | Very low | 80 Ų | 80 | 109.2 Ų | 109.2 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -75 | -33.4 | -176.9 | 53.8 | 0 | 0 | 0 | 0 | 114 | N1840 | S1838-N1840 VanDerWaalsContact C-N 3.3Å; S1838-N1840 PolarHBondContact O-N 3.46Å |
| 1839 | D | 35.3 | Very low | 42.7 | Very low | 111 Ų | 111 | 105.3 Ų | 105.3 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.1 | -12.7 | -171.2 | -68.8 | -1.1 | 0 | 0 | 0 | 113.9 | T1842 | D1839-T1842 PolarHBondContact O-OG1 2.97Å; D1839-T1842 VanDerWaalsContact O-OG1 3.13Å |
| 1840 | N | 35.9 | Very low | 44.8 | Very low | 113 Ų | 113 | 98 Ų | 98 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -85.3 | -23.6 | -176.9 | -80 | -11.3 | 0 | 0 | 0 | 114.2 | S1838 | S1838-N1840 VanDerWaalsContact C-N 3.3Å; S1838-N1840 PolarHBondContact O-N 3.46Å |
| 1841 | L | 39.3 | Very low | 46.5 | Very low | 135 Ų | 135 | 91.4 Ų | 91.4 | 71% | 0.707 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -82.8 | -37 | 179.9 | -85.1 | 155.2 | 0 | 0 | 0 | 111.9 | S1843 S1844 | L1841-S1843 VanDerWaalsContact C-N 3.29Å; L1841-S1843 PolarHBondContact O-N 3.39Å; L1841-S1844 PolarHBondContact O-N 3.37Å; L1841-S1844 VanDerWaalsContact O-N 3.17Å; L1841-S1844 PolarHBondContact O-OG 2.5Å |
| 1842 | T | 44.2 | Very low | 48.5 | Very low | 84 Ų | 84 | 90 Ų | 90 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.6 | -31.5 | -177.1 | 46.5 | 0 | 0 | 0 | 0 | 113.8 | D1839 | D1839-T1842 PolarHBondContact O-OG1 2.97Å; D1839-T1842 VanDerWaalsContact O-OG1 3.13Å |
| 1843 | S | 46.8 | Very low | 50.6 | Low | 28 Ų | 28 | 83.5 Ų | 83.5 | 20% | 0.196 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -91.6 | 11.4 | 179.8 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | L1841 T1847 | L1841-S1843 VanDerWaalsContact C-N 3.29Å; L1841-S1843 PolarHBondContact O-N 3.39Å; S1843-T1847 WeakPolarHBondContact O-CB 3.48Å; S1843-T1847 PolarHBondContact O-OG1 2.97Å |
| 1844 | S | 55 | Low | 52.5 | Low | 55 Ų | 55 | 76.7 Ų | 76.7 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -95.7 | -40.3 | -178.4 | 70.1 | 0 | 0 | 0 | 0 | 113.2 | L1841 H1848 | L1841-S1844 PolarHBondContact O-N 3.37Å; L1841-S1844 VanDerWaalsContact O-N 3.17Å; L1841-S1844 PolarHBondContact O-OG 2.5Å; S1844-H1848 WeakPolarHBondContact O-CB 3.49Å; S1844-H1848 PolarHBondContact O-N 3.03Å; S1844-H1848 PolarHBondContact O-ND1 2.91Å |
| 1845 | E | 65.9 | Low | 54.2 | Low | 71 Ų | 71 | 69.8 Ų | 69.8 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -87.4 | -40.1 | -168.2 | -157.7 | 166.1 | -174.7 | 0 | 0 | 113.3 | K1752 T1847 H1848 W1849 | K1752-E1845 IonicContact NZ-OE1 3.29Å; K1752-E1845 PolarHBondContact NZ-OE1 3.47Å; E1845-T1847 VanDerWaalsContact C-N 3.27Å; E1845-T1847 PolarHBondContact O-N 3.33Å; E1845-H1848 PolarHBondContact O-N 2.94Å; E1845-W1849 WeakPolarHBondContact O-CB 3.41Å; E1845-W1849 PolarHBondContact O-N 3.29Å |
| 1846 | S | 66.5 | Low | 56 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 169.2 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | W1849 L1850 | S1846-W1849 PolarHBondContact O-N 3.28Å; S1846-L1850 WeakPolarHBondContact O-CB 3.39Å; S1846-L1850 PolarHBondContact O-N 3.35Å |
| 1847 | T | 64.4 | Low | 57.8 | Low | 4 Ų | 4 | 56.5 Ų | 56.5 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 179.6 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | S1843 E1845 W1849 L1850 C1851 E1903 M1906 | S1843-T1847 WeakPolarHBondContact O-CB 3.48Å; S1843-T1847 PolarHBondContact O-OG1 2.97Å; E1845-T1847 VanDerWaalsContact C-N 3.27Å; E1845-T1847 PolarHBondContact O-N 3.33Å; T1847-W1849 PolarHBondContact O-N 3.26Å; T1847-L1850 PolarHBondContact O-N 3.38Å; T1847-C1851 WeakPolarHBondContact O-CB 3.48Å; T1847-C1851 PolarHBondContact O-N 3.31Å; T1847-C1851 PolarHBondContact O-SG 3.16Å; T1847-E1903 WeakPolarHBondContact CG2-OE2 3.37Å; T1847-E1903 PolarHBondContact OG1-OE1 3.29Å; T1847-E1903 PolarHBondContact OG1-OE2 3.12Å; T1847-M1906 HydrophobicContact CG2-CE 3.63Å; T1847-M1906 HydrophobicContact CG2-CG 3.91Å; T1847-M1906 HydrophobicContact CG2-SD 3.79Å |
| 1848 | H | 67 | Low | 59.3 | Low | 122 Ų | 122 | 53.7 Ų | 53.7 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | 171 | -98.5 | 63.6 | 0 | 0 | 0 | 112.4 | S1844 E1845 L1850 C1851 N1852 | S1844-H1848 WeakPolarHBondContact O-CB 3.49Å; S1844-H1848 PolarHBondContact O-N 3.03Å; S1844-H1848 PolarHBondContact O-ND1 2.91Å; E1845-H1848 PolarHBondContact O-N 2.94Å; H1848-L1850 VanDerWaalsContact C-N 3.34Å; H1848-L1850 PolarHBondContact O-N 3.34Å; H1848-C1851 PolarHBondContact O-N 3.22Å; H1848-N1852 PolarHBondContact O-N 3.46Å |
| 1849 | W | 77.6 | Confident | 60.6 | Low | 14 Ų | 14 | 56.1 Ų | 56.1 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 176.4 | 176.8 | 83.7 | 0 | 0 | 0 | 111.8 | L1755 D1756 F1759 L1807 V1811 L1815 E1845 S1846 T1847 N1852 N1853 | L1755-W1849 HydrophobicContact CB-CH2 4.45Å; L1755-W1849 HydrophobicContact CB-CZ2 3.65Å; D1756-W1849 PolarHBondContact OD1-NE1 2.88Å; F1759-W1849 HydrophobicContact CB-CH2 3.85Å; F1759-W1849 HydrophobicContact CB-CZ2 3.98Å; F1759-W1849 AromaticContact CD2-CH2 3.64Å; F1759-W1849 HydrophobicContact CD2-CH2 3.64Å; F1759-W1849 HydrophobicContact CD2-CZ3 4.27Å; F1759-W1849 HydrophobicContact CE2-CH2 4.36Å; F1759-W1849 AromaticContact CG-CH2 3.81Å; F1759-W1849 HydrophobicContact CG-CH2 3.81Å; F1759-W1849 HydrophobicContact CG-CZ2 4.28Å; L1807-W1849 HydrophobicContact CD2-CZ3 4.24Å; V1811-W1849 HydrophobicContact CG1-CE3 3.82Å; V1811-W1849 HydrophobicContact CG1-CZ3 4Å; V1811-W1849 HydrophobicContact CG2-CE3 4.32Å; V1811-W1849 HydrophobicContact CG2-CH2 4Å; V1811-W1849 HydrophobicContact CG2-CZ3 3.7Å; L1815-W1849 HydrophobicContact CD1-CB 4.07Å; L1815-W1849 HydrophobicContact CD1-CD2 4.48Å; L1815-W1849 HydrophobicContact CD1-CG 4.13Å; E1845-W1849 WeakPolarHBondContact O-CB 3.41Å; E1845-W1849 PolarHBondContact O-N 3.29Å; S1846-W1849 PolarHBondContact O-N 3.28Å; T1847-W1849 PolarHBondContact O-N 3.26Å; W1849-N1852 PolarHBondContact O-N 2.98Å; W1849-N1853 PolarHBondContact NE1-ND2 3.04Å; W1849-N1853 VanDerWaalsContact NE1-ND2 3.17Å; W1849-N1853 WeakPolarHBondContact O-CB 3.22Å; W1849-N1853 PolarHBondContact O-N 2.92Å; W1849-N1853 VanDerWaalsContact O-N 3.11Å; W1849-N1853 PolarHBondContact O-ND2 3.28Å |
| 1850 | L | 72.1 | Confident | 61.8 | Low | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 177.3 | -169.6 | 70 | 0 | 0 | 0 | 111.9 | F1759 L1807 S1846 T1847 H1848 N1853 W1854 L1896 Y1899 L1900 | F1759-L1850 HydrophobicContact CE2-CD1 4.4Å; L1807-L1850 HydrophobicContact CD2-CD1 3.35Å; S1846-L1850 WeakPolarHBondContact O-CB 3.39Å; S1846-L1850 PolarHBondContact O-N 3.35Å; T1847-L1850 PolarHBondContact O-N 3.38Å; H1848-L1850 VanDerWaalsContact C-N 3.34Å; H1848-L1850 PolarHBondContact O-N 3.34Å; L1850-N1853 PolarHBondContact O-N 2.97Å; L1850-W1854 WeakPolarHBondContact O-CB 3.25Å; L1850-W1854 PolarHBondContact O-N 3.13Å; L1850-L1896 HydrophobicContact CD1-CD1 4.38Å; L1850-L1896 HydrophobicContact CD1-CD2 4.16Å; L1850-L1896 HydrophobicContact CD1-CG 4.33Å; L1850-Y1899 HydrophobicContact CD2-CD1 4.38Å; L1850-L1900 HydrophobicContact CD2-CD2 3.79Å; L1850-L1900 HydrophobicContact CD2-CG 4.12Å; L1850-L1900 HydrophobicContact CG-CD2 4.48Å |
| 1851 | C | 65.5 | Low | 62.8 | Low | 19 Ų | 19 | 49 Ų | 49 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 178.3 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | T1847 H1848 W1854 L1855 | T1847-C1851 WeakPolarHBondContact O-CB 3.48Å; T1847-C1851 PolarHBondContact O-N 3.31Å; T1847-C1851 PolarHBondContact O-SG 3.16Å; H1848-C1851 PolarHBondContact O-N 3.22Å; C1851-W1854 PolarHBondContact O-N 2.91Å; C1851-L1855 WeakPolarHBondContact O-CG 3.3Å; C1851-L1855 PolarHBondContact O-N 3.45Å; C1851-L1855 VanDerWaalsContact O-N 3.11Å |
| 1852 | N | 70.1 | Confident | 63.5 | Low | 95 Ų | 95 | 45.4 Ų | 45.4 | 51% | 0.508 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 177.7 | -75.8 | -17.6 | 0 | 0 | 0 | 111.7 | H1848 W1849 L1855 T1856 | H1848-N1852 PolarHBondContact O-N 3.46Å; W1849-N1852 PolarHBondContact O-N 2.98Å; N1852-L1855 PolarHBondContact O-N 3.26Å; N1852-T1856 PolarHBondContact O-N 3.05Å; N1852-T1856 PolarHBondContact O-OG1 3.41Å |
| 1853 | N | 73.6 | Confident | 64 | Low | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -36.6 | 179.1 | -87.1 | -79.6 | 0 | 0 | 0 | 112.8 | D1756 F1759 H1760 W1849 L1850 T1856 I1857 | D1756-N1853 PolarHBondContact OD1-ND2 3.44Å; D1756-N1853 PolarHBondContact OD1-OD1 2.93Å; F1759-N1853 HydrophobicContact CD1-CB 3.67Å; F1759-N1853 HydrophobicContact CE1-CB 3.55Å; F1759-N1853 HydrophobicContact CZ-CB 4.34Å; H1760-N1853 PolarHBondContact CE1-OD1 3.2Å; H1760-N1853 VanDerWaalsContact CE1-OD1 3.3Å; H1760-N1853 PolarHBondContact NE2-OD1 3.22Å; H1760-N1853 VanDerWaalsContact NE2-OD1 3.16Å; W1849-N1853 PolarHBondContact NE1-ND2 3.04Å; W1849-N1853 VanDerWaalsContact NE1-ND2 3.17Å; W1849-N1853 WeakPolarHBondContact O-CB 3.22Å; W1849-N1853 PolarHBondContact O-N 2.92Å; W1849-N1853 VanDerWaalsContact O-N 3.11Å; W1849-N1853 PolarHBondContact O-ND2 3.28Å; L1850-N1853 PolarHBondContact O-N 2.97Å; N1853-T1856 PolarHBondContact O-N 3.45Å; N1853-I1857 PolarHBondContact O-N 3.2Å; N1853-I1857 VanDerWaalsContact O-N 3.07Å |
| 1854 | W | 69.2 | Low | 64.1 | Low | 22 Ų | 22 | 46.3 Ų | 46.3 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.8 | -47.9 | 171.9 | 173.1 | -100.7 | 0 | 0 | 0 | 112 | L1850 C1851 T1856 I1857 M1858 I1893 L1896 | L1850-W1854 WeakPolarHBondContact O-CB 3.25Å; L1850-W1854 PolarHBondContact O-N 3.13Å; C1851-W1854 PolarHBondContact O-N 2.91Å; W1854-T1856 PolarHBondContact O-N 3.25Å; W1854-I1857 PolarHBondContact O-N 3.35Å; W1854-M1858 HydrophobicContact CD2-CG 4.17Å; W1854-M1858 HydrophobicContact CG-CG 4.46Å; W1854-M1858 HydrophobicContact CZ2-CG 4.41Å; W1854-M1858 HydrophobicContact CZ2-SD 4.22Å; W1854-M1858 WeakPolarHBondContact O-CG 3.5Å; W1854-M1858 PolarHBondContact O-N 2.91Å; W1854-I1893 HydrophobicContact CH2-CG2 3.65Å; W1854-I1893 HydrophobicContact CZ3-CB 4.46Å; W1854-I1893 HydrophobicContact CZ3-CG2 4Å; W1854-L1896 HydrophobicContact CB-CD2 4.24Å; W1854-L1896 HydrophobicContact CD2-CD2 4.11Å; W1854-L1896 HydrophobicContact CE3-CB 4.18Å; W1854-L1896 HydrophobicContact CE3-CD2 3.24Å; W1854-L1896 HydrophobicContact CE3-CG 4.29Å; W1854-L1896 HydrophobicContact CZ3-CB 3.79Å; W1854-L1896 HydrophobicContact CZ3-CD2 3.79Å; W1854-L1896 HydrophobicContact CZ3-CG 4.4Å |
| 1855 | L | 65 | Low | 63.9 | Low | 46 Ų | 46 | 47.4 Ų | 47.4 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -37.8 | 177.3 | -74.8 | 165.9 | 0 | 0 | 0 | 111.9 | C1851 N1852 K1859 L1918 | C1851-L1855 WeakPolarHBondContact O-CG 3.3Å; C1851-L1855 PolarHBondContact O-N 3.45Å; C1851-L1855 VanDerWaalsContact O-N 3.11Å; N1852-L1855 PolarHBondContact O-N 3.26Å; L1855-K1859 WeakPolarHBondContact O-CG 3.38Å; L1855-K1859 PolarHBondContact O-N 3.02Å; L1855-K1859 VanDerWaalsContact O-N 3.1Å; L1855-L1918 HydrophobicContact CD2-CD2 4.04Å; L1855-L1918 HydrophobicContact CD2-CG 4.49Å |
| 1856 | T | 67.6 | Low | 63.1 | Low | 70 Ų | 70 | 47.9 Ų | 47.9 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | N1852 N1853 W1854 K1859 S1860 | N1852-T1856 PolarHBondContact O-N 3.05Å; N1852-T1856 PolarHBondContact O-OG1 3.41Å; N1853-T1856 PolarHBondContact O-N 3.45Å; W1854-T1856 PolarHBondContact O-N 3.25Å; T1856-K1859 PolarHBondContact O-N 2.89Å; T1856-S1860 PolarHBondContact O-N 3.24Å; T1856-S1860 PolarHBondContact O-OG 3.37Å |
| 1857 | I | 66.9 | Low | 62.3 | Low | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 177.1 | -69.7 | 178.1 | 0 | 0 | 0 | 111.3 | F1759 F1763 N1853 W1854 K1859 S1860 M1861 | F1759-I1857 HydrophobicContact CD1-CD1 4.03Å; F1759-I1857 HydrophobicContact CE1-CD1 3.3Å; F1759-I1857 HydrophobicContact CE1-CG1 4.28Å; F1759-I1857 HydrophobicContact CZ-CD1 4.01Å; F1763-I1857 HydrophobicContact CB-CD1 4.29Å; F1763-I1857 HydrophobicContact CD1-CD1 3.99Å; F1763-I1857 HydrophobicContact CD1-CG2 4.37Å; F1763-I1857 HydrophobicContact CD2-CD1 3.39Å; F1763-I1857 HydrophobicContact CE1-CD1 4.09Å; F1763-I1857 HydrophobicContact CE2-CD1 3.52Å; F1763-I1857 HydrophobicContact CG-CD1 3.64Å; F1763-I1857 HydrophobicContact CZ-CD1 3.87Å; N1853-I1857 PolarHBondContact O-N 3.2Å; N1853-I1857 VanDerWaalsContact O-N 3.07Å; W1854-I1857 PolarHBondContact O-N 3.35Å; I1857-K1859 VanDerWaalsContact C-N 3.28Å; I1857-K1859 PolarHBondContact O-N 2.89Å; I1857-S1860 WeakPolarHBondContact CA-OG 3.39Å; I1857-S1860 PolarHBondContact O-N 3.46Å; I1857-S1860 PolarHBondContact O-OG 3.18Å; I1857-M1861 HydrophobicContact CG2-CG 4.47Å; I1857-M1861 HydrophobicContact CG2-SD 4.39Å; I1857-M1861 PolarHBondContact O-N 3.43Å |
| 1858 | M | 62.2 | Low | 61.5 | Low | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 179.9 | -67.9 | -62.1 | -76.7 | 0 | 0 | 111.1 | W1854 N1862 F1953 T1957 | W1854-M1858 HydrophobicContact CD2-CG 4.17Å; W1854-M1858 HydrophobicContact CG-CG 4.46Å; W1854-M1858 HydrophobicContact CZ2-CG 4.41Å; W1854-M1858 HydrophobicContact CZ2-SD 4.22Å; W1854-M1858 WeakPolarHBondContact O-CG 3.5Å; W1854-M1858 PolarHBondContact O-N 2.91Å; M1858-N1862 WeakPolarHBondContact O-CB 3.42Å; M1858-N1862 PolarHBondContact O-N 2.96Å; M1858-F1953 HydrophobicContact CE-CE1 3.49Å; M1858-F1953 VanDerWaalsContact CE-CE1 3.49Å; M1858-F1953 HydrophobicContact CE-CZ 3.93Å; M1858-F1953 HydrophobicContact SD-CE1 4.06Å; M1858-F1953 HydrophobicContact SD-CZ 4.12Å; M1858-T1957 HydrophobicContact CE-CG2 3.7Å |
| 1859 | K | 62.2 | Low | 60.4 | Low | 130 Ų | 130 | 54.6 Ų | 54.6 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 172.6 | -77.1 | 178.1 | 178.9 | -179.6 | 0 | 112.7 | L1855 T1856 I1857 N1862 C1863 | L1855-K1859 WeakPolarHBondContact O-CG 3.38Å; L1855-K1859 PolarHBondContact O-N 3.02Å; L1855-K1859 VanDerWaalsContact O-N 3.1Å; T1856-K1859 PolarHBondContact O-N 2.89Å; I1857-K1859 VanDerWaalsContact C-N 3.28Å; I1857-K1859 PolarHBondContact O-N 2.89Å; K1859-N1862 WeakPolarHBondContact O-CB 3.41Å; K1859-N1862 PolarHBondContact O-N 2.81Å; K1859-C1863 PolarHBondContact O-N 2.97Å |
| 1860 | S | 60.6 | Low | 59 | Low | 45 Ų | 45 | 59 Ų | 59 | 32% | 0.315 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.2 | -39.3 | -178.4 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | T1856 I1857 N1862 C1863 L1864 | T1856-S1860 PolarHBondContact O-N 3.24Å; T1856-S1860 PolarHBondContact O-OG 3.37Å; I1857-S1860 WeakPolarHBondContact CA-OG 3.39Å; I1857-S1860 PolarHBondContact O-N 3.46Å; I1857-S1860 PolarHBondContact O-OG 3.18Å; S1860-N1862 PolarHBondContact O-N 3.39Å; S1860-C1863 PolarHBondContact O-N 3.17Å; S1860-L1864 PolarHBondContact O-N 3.19Å; S1860-L1864 VanDerWaalsContact O-N 3.11Å |
| 1861 | M | 57.2 | Low | 57.6 | Low | 29 Ų | 29 | 61.6 Ų | 61.6 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -34.8 | 173.5 | -79.5 | -170.5 | 135.4 | 0 | 0 | 112.3 | I1857 L1864 M1865 P1889 I1893 F1953 | I1857-M1861 HydrophobicContact CG2-CG 4.47Å; I1857-M1861 HydrophobicContact CG2-SD 4.39Å; I1857-M1861 PolarHBondContact O-N 3.43Å; M1861-L1864 PolarHBondContact O-N 2.93Å; M1861-M1865 WeakPolarHBondContact O-CG 3.48Å; M1861-M1865 PolarHBondContact O-N 3.44Å; M1861-M1865 VanDerWaalsContact O-N 3.14Å; M1861-P1889 HydrophobicContact CE-CB 3.48Å; M1861-P1889 VanDerWaalsContact CE-CB 3.48Å; M1861-P1889 HydrophobicContact CE-CG 4.44Å; M1861-I1893 HydrophobicContact CE-CD1 3.74Å; M1861-I1893 HydrophobicContact SD-CD1 3.5Å; M1861-I1893 WeakPolarHBondContact SD-CD1 3.37Å; M1861-F1953 HydrophobicContact SD-CZ 4.3Å |
| 1862 | N | 53.5 | Low | 56.5 | Low | 61 Ų | 61 | 62.5 Ų | 62.5 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.6 | -144.2 | 16.8 | 0 | 0 | 0 | 111.5 | M1858 K1859 S1860 M1865 I1866 H1925 | M1858-N1862 WeakPolarHBondContact O-CB 3.42Å; M1858-N1862 PolarHBondContact O-N 2.96Å; K1859-N1862 WeakPolarHBondContact O-CB 3.41Å; K1859-N1862 PolarHBondContact O-N 2.81Å; S1860-N1862 PolarHBondContact O-N 3.39Å; N1862-M1865 PolarHBondContact O-N 3.38Å; N1862-I1866 WeakPolarHBondContact O-CG1 3.37Å; N1862-I1866 PolarHBondContact O-N 3.14Å; N1862-H1925 PolarHBondContact OD1-CD2 3.07Å; N1862-H1925 VanDerWaalsContact OD1-CD2 3.24Å; N1862-H1925 PolarHBondContact OD1-NE2 3.13Å |
| 1863 | C | 54.4 | Low | 55.3 | Low | 62 Ų | 62 | 64 Ų | 64 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 175.2 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | K1859 S1860 M1865 I1866 D1867 | K1859-C1863 PolarHBondContact O-N 2.97Å; S1860-C1863 PolarHBondContact O-N 3.17Å; C1863-M1865 VanDerWaalsContact C-N 3.28Å; C1863-M1865 PolarHBondContact O-N 3.43Å; C1863-I1866 PolarHBondContact O-N 3.21Å; C1863-D1867 PolarHBondContact O-N 3.27Å |
| 1864 | L | 50.4 | Low | 53.8 | Low | 68 Ų | 68 | 73.2 Ų | 73.2 | 36% | 0.356 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 179.7 | -78.5 | 165.8 | 0 | 0 | 0 | 112.6 | S1860 M1861 D1867 E1868 | S1860-L1864 PolarHBondContact O-N 3.19Å; S1860-L1864 VanDerWaalsContact O-N 3.11Å; M1861-L1864 PolarHBondContact O-N 2.93Å; L1864-D1867 PolarHBondContact O-N 3.28Å; L1864-E1868 PolarHBondContact O-N 2.87Å |
| 1865 | M | 49.8 | Very low | 52.2 | Low | 78 Ų | 78 | 77.5 Ų | 77.5 | 38% | 0.384 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.9 | -34.3 | 178 | -80.3 | -101.8 | -53.1 | 0 | 0 | 113.3 | M1861 N1862 C1863 Y1869 F1953 | M1861-M1865 WeakPolarHBondContact O-CG 3.48Å; M1861-M1865 PolarHBondContact O-N 3.44Å; M1861-M1865 VanDerWaalsContact O-N 3.14Å; N1862-M1865 PolarHBondContact O-N 3.38Å; C1863-M1865 VanDerWaalsContact C-N 3.28Å; C1863-M1865 PolarHBondContact O-N 3.43Å; M1865-Y1869 VanDerWaalsContact O-CB 3.26Å; M1865-Y1869 WeakPolarHBondContact O-CB 3.12Å; M1865-Y1869 PolarHBondContact O-N 2.86Å; M1865-F1953 HydrophobicContact CE-CB 4.01Å |
| 1866 | I | 50.2 | Low | 50.7 | Low | 81 Ų | 81 | 83 Ų | 83 | 42% | 0.415 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 174.2 | -67.9 | 166.7 | 0 | 0 | 0 | 109.2 | N1862 C1863 Y1869 E1870 | N1862-I1866 WeakPolarHBondContact O-CG1 3.37Å; N1862-I1866 PolarHBondContact O-N 3.14Å; C1863-I1866 PolarHBondContact O-N 3.21Å; I1866-Y1869 PolarHBondContact O-N 3.25Å; I1866-E1870 WeakPolarHBondContact O-CG 3.28Å; I1866-E1870 PolarHBondContact O-N 3.11Å |
| 1867 | D | 48.8 | Very low | 49 | Very low | 96 Ų | 96 | 87 Ų | 87 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 178.1 | -73 | -15.7 | 0 | 0 | 0 | 112 | C1863 L1864 Y1869 E1870 S1871 | C1863-D1867 PolarHBondContact O-N 3.27Å; L1864-D1867 PolarHBondContact O-N 3.28Å; D1867-Y1869 VanDerWaalsContact C-N 3.32Å; D1867-Y1869 PolarHBondContact O-N 3.04Å; D1867-E1870 PolarHBondContact O-N 3.4Å; D1867-S1871 VanDerWaalsContact O-CB 3.29Å; D1867-S1871 WeakPolarHBondContact O-CB 3.49Å; D1867-S1871 PolarHBondContact O-N 2.89Å |
| 1868 | E | 47.5 | Very low | 47.2 | Very low | 83 Ų | 83 | 96.6 Ų | 96.6 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177 | -118.4 | -169.8 | 171.7 | 0 | 0 | 111.8 | L1864 S1871 S1872 F1886 | L1864-E1868 PolarHBondContact O-N 2.87Å; E1868-S1871 PolarHBondContact O-N 3.44Å; E1868-S1872 VanDerWaalsContact O-CB 3.29Å; E1868-S1872 WeakPolarHBondContact O-CB 3.48Å; E1868-S1872 PolarHBondContact O-N 3.3Å; E1868-F1886 VanDerWaalsContact OE2-CE2 3.3Å; E1868-F1886 WeakPolarHBondContact OE2-CE2 3.35Å |
| 1869 | Y | 44.5 | Very low | 45.6 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -47.2 | 175.2 | 177.1 | -102.1 | 0 | 0 | 0 | 111.7 | M1865 I1866 D1867 S1871 S1872 Q1873 | M1865-Y1869 VanDerWaalsContact O-CB 3.26Å; M1865-Y1869 WeakPolarHBondContact O-CB 3.12Å; M1865-Y1869 PolarHBondContact O-N 2.86Å; I1866-Y1869 PolarHBondContact O-N 3.25Å; D1867-Y1869 VanDerWaalsContact C-N 3.32Å; D1867-Y1869 PolarHBondContact O-N 3.04Å; Y1869-S1871 PolarHBondContact O-N 3.24Å; Y1869-S1872 WeakPolarHBondContact CA-OG 3.27Å; Y1869-S1872 PolarHBondContact O-N 3.04Å; Y1869-S1872 VanDerWaalsContact O-N 3.12Å; Y1869-S1872 PolarHBondContact O-OG 3.35Å; Y1869-Q1873 HydrophobicContact CE1-CG 4.25Å; Y1869-Q1873 PolarHBondContact O-N 3.33Å; Y1869-Q1873 PolarHBondContact OH-NE2 3.16Å; Y1869-Q1873 VanDerWaalsContact OH-NE2 3.13Å |
| 1870 | E | 48.3 | Very low | 44 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.7 | -34.1 | 174.9 | -74.6 | -165 | 175.7 | 0 | 0 | 112.1 | I1866 D1867 | I1866-E1870 WeakPolarHBondContact O-CG 3.28Å; I1866-E1870 PolarHBondContact O-N 3.11Å; D1867-E1870 PolarHBondContact O-N 3.4Å |
| 1871 | S | 42.3 | Very low | 42.4 | Very low | 61 Ų | 61 | 115.6 Ų | 115.6 | 43% | 0.427 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -73.6 | -39.6 | 174.4 | -156.8 | 0 | 0 | 0 | 0 | 112.1 | D1867 E1868 Y1869 Q1873 R1874 N1875 | D1867-S1871 VanDerWaalsContact O-CB 3.29Å; D1867-S1871 WeakPolarHBondContact O-CB 3.49Å; D1867-S1871 PolarHBondContact O-N 2.89Å; E1868-S1871 PolarHBondContact O-N 3.44Å; Y1869-S1871 PolarHBondContact O-N 3.24Å; S1871-Q1873 VanDerWaalsContact C-N 3.32Å; S1871-Q1873 PolarHBondContact O-N 2.89Å; S1871-R1874 WeakPolarHBondContact O-CB 3.12Å; S1871-R1874 PolarHBondContact O-N 3.34Å; S1871-N1875 PolarHBondContact O-N 3.28Å |
| 1872 | S | 42.4 | Very low | 41.1 | Very low | 38 Ų | 38 | 118.5 Ų | 118.5 | 27% | 0.266 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.5 | -33.2 | 177.8 | 79.2 | 0 | 0 | 0 | 0 | 112.7 | E1868 Y1869 R1874 N1875 M1876 | E1868-S1872 VanDerWaalsContact O-CB 3.29Å; E1868-S1872 WeakPolarHBondContact O-CB 3.48Å; E1868-S1872 PolarHBondContact O-N 3.3Å; Y1869-S1872 WeakPolarHBondContact CA-OG 3.27Å; Y1869-S1872 PolarHBondContact O-N 3.04Å; Y1869-S1872 VanDerWaalsContact O-N 3.12Å; Y1869-S1872 PolarHBondContact O-OG 3.35Å; S1872-R1874 PolarHBondContact O-N 3.33Å; S1872-N1875 PolarHBondContact O-N 2.89Å; S1872-M1876 PolarHBondContact O-N 3.02Å; S1872-M1876 VanDerWaalsContact O-N 3.14Å |
| 1873 | Q | 44.8 | Very low | 40.1 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 60% | 0.598 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.8 | -29.9 | 171.2 | -81.3 | -128.9 | -12.4 | 0 | 0 | 112.3 | Y1869 S1871 | Y1869-Q1873 HydrophobicContact CE1-CG 4.25Å; Y1869-Q1873 PolarHBondContact O-N 3.33Å; Y1869-Q1873 PolarHBondContact OH-NE2 3.16Å; Y1869-Q1873 VanDerWaalsContact OH-NE2 3.13Å; S1871-Q1873 VanDerWaalsContact C-N 3.32Å; S1871-Q1873 PolarHBondContact O-N 2.89Å |
| 1874 | R | 40.9 | Very low | 39 | Very low | 198 Ų | 198 | 127.2 Ų | 127.2 | 75% | 0.747 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.8 | -28.5 | 177.2 | -60.2 | -175.9 | -150.4 | -170.4 | 6.3 | 112.8 | S1871 S1872 | S1871-R1874 WeakPolarHBondContact O-CB 3.12Å; S1871-R1874 PolarHBondContact O-N 3.34Å; S1872-R1874 PolarHBondContact O-N 3.33Å |
| 1875 | N | 37.2 | Very low | 38.4 | Very low | 112 Ų | 112 | 129 Ų | 129 | 60% | 0.599 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -112 | 9.4 | -167.5 | -76.4 | -18.1 | 0 | 0 | 0 | 115.7 | S1871 S1872 L1877 Y1878 | S1871-N1875 PolarHBondContact O-N 3.28Å; S1872-N1875 PolarHBondContact O-N 2.89Å; N1875-L1877 PolarHBondContact O-N 3.37Å; N1875-Y1878 PolarHBondContact O-N 3.29Å |
| 1876 | M | 33.6 | Very low | 37.8 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 79% | 0.793 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 24.9 | -175.4 | -122.5 | -148.1 | -75.9 | 0 | 0 | 116.9 | S1872 | S1872-M1876 PolarHBondContact O-N 3.02Å; S1872-M1876 VanDerWaalsContact O-N 3.14Å |
| 1877 | L | 30.5 | Very low | 37.3 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -0.4 | 175.3 | -93.1 | 160.7 | 0 | 0 | 0 | 116.2 | N1875 | N1875-L1877 PolarHBondContact O-N 3.37Š|
| 1878 | Y | 29.4 | Very low | 37.3 | Very low | 208 Ų | 208 | 127.7 Ų | 127.7 | 82% | 0.816 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -140.8 | 128.9 | 177.3 | -68.8 | -81.4 | 0 | 0 | 0 | 113.6 | N1875 | N1875-Y1878 PolarHBondContact O-N 3.29Š|
| 1879 | D | 29.2 | Very low | 37.5 | Very low | 154 Ų | 154 | 124.8 Ų | 124.8 | 82% | 0.824 | 61% | 0.606 | S | S | * | * | trans | 68.1 | 133.8 | 166 | -72.7 | -33.4 | 0 | 0 | 0 | 121.8 | ||||
| 1880 | R | 28.5 | Very low | 37.9 | Very low | 245 Ų | 245 | 125.6 Ų | 125.6 | 93% | 0.925 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -118 | 9.1 | -170.9 | -101.3 | -172.7 | -175.6 | -176.4 | 1.7 | 115.7 | ||
| 1881 | E | 26.9 | Very low | 38.3 | Very low | 198 Ų | 198 | 125 Ų | 125 | 93% | 0.925 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -120 | 12.4 | -170.4 | -73.9 | -170.4 | 164.8 | 0 | 0 | 117.4 | ||
| 1882 | A | 30.3 | Very low | 39.1 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 74% | 0.744 | 59% | 0.589 | S | S | * | * | trans | -109.9 | 0.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | N1884 | A1882-N1884 PolarHBondContact O-N 2.87Š| ||
| 1883 | Y | 32.6 | Very low | 40.1 | Very low | 179 Ų | 179 | 121.3 Ų | 121.3 | 70% | 0.702 | 58% | 0.581 | S | S | * | * | trans | -89.8 | 84.7 | -172.9 | -64.9 | -78.9 | 0 | 0 | 0 | 113 | ||||
| 1884 | N | 30.7 | Very low | 40.8 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 68% | 0.679 | 56% | 0.563 | S | S | * | * | trans | -134.8 | 11.4 | 174.2 | -138 | -1.3 | 0 | 0 | 0 | 114.7 | A1882 F1886 C1887 | A1882-N1884 PolarHBondContact O-N 2.87Å; N1884-F1886 VanDerWaalsContact C-N 3.34Å; N1884-F1886 PolarHBondContact O-N 3.25Å; N1884-C1887 PolarHBondContact OD1-SG 3.48Å | ||
| 1885 | T | 37.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 64% | 0.638 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.6 | -177.9 | 36.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1886 | F | 37.9 | Very low | 43.1 | Very low | 94 Ų | 94 | 104.9 Ų | 104.9 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -2.7 | -175 | -78.6 | -80.7 | 0 | 0 | 0 | 116.2 | E1868 N1884 E1888 | E1868-F1886 VanDerWaalsContact OE2-CE2 3.3Å; E1868-F1886 WeakPolarHBondContact OE2-CE2 3.35Å; N1884-F1886 VanDerWaalsContact C-N 3.34Å; N1884-F1886 PolarHBondContact O-N 3.25Å; F1886-E1888 PolarHBondContact O-N 3.45Å |
| 1887 | C | 39.6 | Very low | 44.5 | Very low | 73 Ų | 73 | 98.1 Ų | 98.1 | 49% | 0.493 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -33 | 179.4 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | N1884 L1891 | N1884-C1887 PolarHBondContact OD1-SG 3.48Å; C1887-L1891 PolarHBondContact O-N 3.43Å |
| 1888 | E | 48.7 | Very low | 45.9 | Very low | 62 Ų | 62 | 94.4 Ų | 94.4 | 29% | 0.29 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -76.9 | -46.8 | -176.4 | -78.6 | -179.7 | 168.8 | 0 | 0 | 114.3 | R1770 F1886 R1890 L1891 Q1892 | R1770-E1888 IonicContact CZ-OE2 3.66Å; R1770-E1888 VanDerWaalsContact CZ-OE2 3.27Å; R1770-E1888 IonicContact NH1-OE2 3.95Å; R1770-E1888 PolarHBondContact NH1-OE2 3.39Å; R1770-E1888 IonicContact NH2-OE2 2.84Å; R1770-E1888 PolarHBondContact NH2-OE2 3.07Å; F1886-E1888 PolarHBondContact O-N 3.45Å; E1888-R1890 PolarHBondContact O-N 3.21Å; E1888-L1891 PolarHBondContact O-N 3.41Å; E1888-Q1892 PolarHBondContact O-N 3.09Å; E1888-Q1892 VanDerWaalsContact O-N 3.16Å |
| 1889 | P | 52.1 | Low | 47.4 | Very low | 21 Ų | 21 | 87 Ų | 87 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.3 | -34.7 | 173.3 | -25.3 | 34.7 | 0 | 0 | 0 | 112.2 | M1861 L1891 Q1892 I1893 | M1861-P1889 HydrophobicContact CE-CB 3.48Å; M1861-P1889 VanDerWaalsContact CE-CB 3.48Å; M1861-P1889 HydrophobicContact CE-CG 4.44Å; P1889-L1891 PolarHBondContact O-N 3.44Å; P1889-Q1892 PolarHBondContact O-N 3.29Å; P1889-I1893 WeakPolarHBondContact O-CD1 3.41Å; P1889-I1893 WeakPolarHBondContact O-CG1 3.43Å; P1889-I1893 PolarHBondContact O-N 2.76Å |
| 1890 | R | 52.7 | Low | 48.9 | Very low | 126 Ų | 126 | 80.4 Ų | 80.4 | 48% | 0.475 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.1 | -172.4 | 177 | 179.2 | 176 | 1.6 | 112.6 | E1888 Q1892 I1893 D1894 F1956 | E1888-R1890 PolarHBondContact O-N 3.21Å; R1890-Q1892 VanDerWaalsContact C-N 3.33Å; R1890-Q1892 PolarHBondContact O-N 3.03Å; R1890-I1893 WeakPolarHBondContact O-CB 3.38Å; R1890-I1893 PolarHBondContact O-N 3.37Å; R1890-D1894 PolarHBondContact O-N 2.85Å; R1890-F1956 VanDerWaalsContact NH2-CZ 3.34Å |
| 1891 | L | 56 | Low | 50 | Low | 93 Ų | 93 | 76.3 Ų | 76.3 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 176.1 | -70.6 | 170 | 0 | 0 | 0 | 112.3 | L1800 C1887 E1888 P1889 I1893 D1894 L1895 | L1800-L1891 HydrophobicContact CD1-CB 4.07Å; L1800-L1891 HydrophobicContact CD1-CD1 4.29Å; L1800-L1891 HydrophobicContact CD2-CB 4.01Å; C1887-L1891 PolarHBondContact O-N 3.43Å; E1888-L1891 PolarHBondContact O-N 3.41Å; P1889-L1891 PolarHBondContact O-N 3.44Å; L1891-I1893 VanDerWaalsContact C-N 3.34Å; L1891-D1894 PolarHBondContact O-N 3.35Å; L1891-L1895 WeakPolarHBondContact O-CB 3.43Å; L1891-L1895 PolarHBondContact O-N 3.5Å |
| 1892 | Q | 60 | Low | 51.5 | Low | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.009 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 174.8 | -67.8 | 174.5 | -40 | 0 | 0 | 111.2 | L1762 F1763 L1800 L1803 E1888 P1889 R1890 L1895 L1896 | L1762-Q1892 PolarHBondContact O-NE2 3.32Å; F1763-Q1892 HydrophobicContact CD1-CB 4.15Å; F1763-Q1892 HydrophobicContact CE1-CB 3.39Å; F1763-Q1892 HydrophobicContact CE1-CG 4.39Å; F1763-Q1892 HydrophobicContact CZ-CB 3.78Å; L1800-Q1892 HydrophobicContact CD2-CB 4.29Å; L1800-Q1892 HydrophobicContact CD2-CG 3.7Å; L1800-Q1892 HydrophobicContact CG-CG 4.31Å; L1803-Q1892 HydrophobicContact CD2-CB 3.97Å; L1803-Q1892 HydrophobicContact CD2-CG 4.21Å; E1888-Q1892 PolarHBondContact O-N 3.09Å; E1888-Q1892 VanDerWaalsContact O-N 3.16Å; P1889-Q1892 PolarHBondContact O-N 3.29Å; R1890-Q1892 VanDerWaalsContact C-N 3.33Å; R1890-Q1892 PolarHBondContact O-N 3.03Å; Q1892-L1895 PolarHBondContact O-N 2.98Å; Q1892-L1896 PolarHBondContact O-N 3.13Å |
| 1893 | I | 63 | Low | 52.6 | Low | 20 Ų | 20 | 71.8 Ų | 71.8 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 173.7 | -70.1 | 166 | 0 | 0 | 0 | 110.9 | F1763 W1854 M1861 P1889 R1890 L1891 L1895 L1896 F1897 F1953 | F1763-I1893 HydrophobicContact CE1-CG1 4.45Å; W1854-I1893 HydrophobicContact CH2-CG2 3.65Å; W1854-I1893 HydrophobicContact CZ3-CB 4.46Å; W1854-I1893 HydrophobicContact CZ3-CG2 4Å; M1861-I1893 HydrophobicContact CE-CD1 3.74Å; M1861-I1893 HydrophobicContact SD-CD1 3.5Å; M1861-I1893 WeakPolarHBondContact SD-CD1 3.37Å; P1889-I1893 WeakPolarHBondContact O-CD1 3.41Å; P1889-I1893 WeakPolarHBondContact O-CG1 3.43Å; P1889-I1893 PolarHBondContact O-N 2.76Å; R1890-I1893 WeakPolarHBondContact O-CB 3.38Å; R1890-I1893 PolarHBondContact O-N 3.37Å; L1891-I1893 VanDerWaalsContact C-N 3.34Å; I1893-L1895 VanDerWaalsContact C-N 3.29Å; I1893-L1895 PolarHBondContact O-N 3.21Å; I1893-L1896 PolarHBondContact O-N 3.45Å; I1893-F1897 WeakPolarHBondContact O-CB 3.48Å; I1893-F1897 PolarHBondContact O-N 3.43Å; I1893-F1953 HydrophobicContact CD1-CZ 4.3Å |
| 1894 | D | 60.2 | Low | 53.3 | Low | 43 Ų | 43 | 74.5 Ų | 74.5 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 176.1 | -79.9 | -32.6 | 0 | 0 | 0 | 111.8 | R1890 L1891 F1897 T1898 Y1960 | R1890-D1894 PolarHBondContact O-N 2.85Å; L1891-D1894 PolarHBondContact O-N 3.35Å; D1894-F1897 PolarHBondContact O-N 2.9Å; D1894-T1898 WeakPolarHBondContact O-CB 2.96Å; D1894-T1898 PolarHBondContact O-N 3.03Å; D1894-T1898 PolarHBondContact O-OG1 3.5Å; D1894-Y1960 VanDerWaalsContact OD1-CZ 3.31Å; D1894-Y1960 PolarHBondContact OD1-OH 2.78Å |
| 1895 | L | 61.7 | Low | 54.2 | Low | 50 Ų | 50 | 73.4 Ų | 73.4 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.4 | -40.9 | 177.6 | -163.9 | 128.8 | 0 | 0 | 0 | 111.8 | L1800 L1803 H1804 L1891 Q1892 I1893 T1898 Y1899 | L1800-L1895 HydrophobicContact CD2-CB 4.45Å; L1800-L1895 HydrophobicContact CD2-CD1 4.39Å; L1803-L1895 HydrophobicContact CD2-CD2 4.36Å; L1803-L1895 HydrophobicContact CG-CD2 4.48Å; H1804-L1895 HydrophobicContact CB-CD2 4.13Å; L1891-L1895 WeakPolarHBondContact O-CB 3.43Å; L1891-L1895 PolarHBondContact O-N 3.5Å; Q1892-L1895 PolarHBondContact O-N 2.98Å; I1893-L1895 VanDerWaalsContact C-N 3.29Å; I1893-L1895 PolarHBondContact O-N 3.21Å; L1895-T1898 PolarHBondContact O-N 3.5Å; L1895-Y1899 PolarHBondContact O-N 3.16Å |
| 1896 | L | 64.8 | Low | 54.5 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.3 | -136.2 | 96.5 | 0 | 0 | 0 | 111.4 | F1759 F1763 L1803 L1807 L1850 W1854 Q1892 I1893 T1898 Y1899 L1900 | F1759-L1896 HydrophobicContact CE2-CD1 3.84Å; F1759-L1896 HydrophobicContact CZ-CD1 3.72Å; F1759-L1896 HydrophobicContact CZ-CD2 4.08Å; F1763-L1896 HydrophobicContact CZ-CD1 4.31Å; L1803-L1896 HydrophobicContact CD1-CD1 4.27Å; L1803-L1896 HydrophobicContact CD2-CD1 4.16Å; L1803-L1896 HydrophobicContact CG-CD1 4.49Å; L1807-L1896 HydrophobicContact CD1-CD1 3.68Å; L1807-L1896 HydrophobicContact CD1-CG 4.47Å; L1850-L1896 HydrophobicContact CD1-CD1 4.38Å; L1850-L1896 HydrophobicContact CD1-CD2 4.16Å; L1850-L1896 HydrophobicContact CD1-CG 4.33Å; W1854-L1896 HydrophobicContact CB-CD2 4.24Å; W1854-L1896 HydrophobicContact CD2-CD2 4.11Å; W1854-L1896 HydrophobicContact CE3-CB 4.18Å; W1854-L1896 HydrophobicContact CE3-CD2 3.24Å; W1854-L1896 HydrophobicContact CE3-CG 4.29Å; W1854-L1896 HydrophobicContact CZ3-CB 3.79Å; W1854-L1896 HydrophobicContact CZ3-CD2 3.79Å; W1854-L1896 HydrophobicContact CZ3-CG 4.4Å; Q1892-L1896 PolarHBondContact O-N 3.13Å; I1893-L1896 PolarHBondContact O-N 3.45Å; L1896-T1898 VanDerWaalsContact C-N 3.34Å; L1896-T1898 PolarHBondContact O-N 2.79Å; L1896-Y1899 WeakPolarHBondContact O-CB 3.17Å; L1896-Y1899 PolarHBondContact O-N 3.02Å; L1896-L1900 PolarHBondContact O-N 3.38Å |
| 1897 | F | 61.9 | Low | 55.2 | Low | 19 Ų | 19 | 69.8 Ų | 69.8 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.5 | -174.1 | -92.6 | 0 | 0 | 0 | 111.5 | I1893 D1894 Y1899 L1900 R1901 Y1960 L1964 | I1893-F1897 WeakPolarHBondContact O-CB 3.48Å; I1893-F1897 PolarHBondContact O-N 3.43Å; D1894-F1897 PolarHBondContact O-N 2.9Å; F1897-Y1899 VanDerWaalsContact C-N 3.31Å; F1897-Y1899 PolarHBondContact O-N 2.87Å; F1897-L1900 PolarHBondContact O-N 3.32Å; F1897-R1901 WeakPolarHBondContact O-CB 3.27Å; F1897-R1901 PolarHBondContact O-N 3.14Å; F1897-Y1960 AromaticContact CD1-CD1 3.75Å; F1897-Y1960 HydrophobicContact CD1-CD1 3.75Å; F1897-Y1960 HydrophobicContact CD1-CE1 4.03Å; F1897-Y1960 AromaticContact CD2-CD1 3.94Å; F1897-Y1960 HydrophobicContact CD2-CD1 3.94Å; F1897-Y1960 AromaticContact CE1-CD1 3.63Å; F1897-Y1960 HydrophobicContact CE1-CD1 3.63Å; F1897-Y1960 HydrophobicContact CE1-CE1 4.19Å; F1897-Y1960 AromaticContact CE2-CD1 3.82Å; F1897-Y1960 HydrophobicContact CE2-CD1 3.82Å; F1897-Y1960 HydrophobicContact CE2-CG 4.33Å; F1897-Y1960 AromaticContact CG-CD1 3.91Å; F1897-Y1960 HydrophobicContact CG-CD1 3.91Å; F1897-Y1960 HydrophobicContact CG-CE1 4.35Å; F1897-Y1960 AromaticContact CZ-CD1 3.67Å; F1897-Y1960 HydrophobicContact CZ-CD1 3.67Å; F1897-Y1960 HydrophobicContact CZ-CG 4.42Å; F1897-Y1960 WeakPolarHBondContact CZ-O 3.36Å; F1897-L1964 HydrophobicContact CE2-CB 4.24Å; F1897-L1964 HydrophobicContact CE2-CD2 4.29Å; F1897-L1964 HydrophobicContact CZ-CB 4.07Å; F1897-L1964 HydrophobicContact CZ-CD1 4.28Å |
| 1898 | T | 60.1 | Low | 55.7 | Low | 74 Ų | 74 | 71.4 Ų | 71.4 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 175.1 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | D1894 L1895 L1896 R1901 M1902 | D1894-T1898 WeakPolarHBondContact O-CB 2.96Å; D1894-T1898 PolarHBondContact O-N 3.03Å; D1894-T1898 PolarHBondContact O-OG1 3.5Å; L1895-T1898 PolarHBondContact O-N 3.5Å; L1896-T1898 VanDerWaalsContact C-N 3.34Å; L1896-T1898 PolarHBondContact O-N 2.79Å; T1898-R1901 PolarHBondContact O-N 3.49Å; T1898-M1902 HydrophobicContact CG2-SD 4.47Å; T1898-M1902 WeakPolarHBondContact O-CG 3.4Å; T1898-M1902 PolarHBondContact O-N 3.11Å; T1898-M1902 VanDerWaalsContact O-N 3.09Å |
| 1899 | Y | 60.9 | Low | 55.9 | Low | 53 Ų | 53 | 75.8 Ų | 75.8 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.9 | -151.1 | -91.2 | 0 | 0 | 0 | 111.9 | K1808 L1850 L1895 L1896 F1897 R1901 M1902 E1903 | K1808-Y1899 WeakPolarHBondContact CA-OH 3.4Å; K1808-Y1899 HydrophobicContact CB-CE2 4.4Å; L1850-Y1899 HydrophobicContact CD2-CD1 4.38Å; L1895-Y1899 PolarHBondContact O-N 3.16Å; L1896-Y1899 WeakPolarHBondContact O-CB 3.17Å; L1896-Y1899 PolarHBondContact O-N 3.02Å; F1897-Y1899 VanDerWaalsContact C-N 3.31Å; F1897-Y1899 PolarHBondContact O-N 2.87Å; Y1899-R1901 VanDerWaalsContact C-N 3.25Å; Y1899-R1901 PolarHBondContact O-N 2.9Å; Y1899-M1902 PolarHBondContact O-N 3.01Å; Y1899-M1902 VanDerWaalsContact O-N 3.15Å; Y1899-E1903 PolarHBondContact O-N 3.28Å |
| 1900 | L | 61.7 | Low | 55.9 | Low | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -34.5 | 174.4 | -76.3 | 166.8 | 0 | 0 | 0 | 112.4 | L1850 L1896 F1897 M1906 | L1850-L1900 HydrophobicContact CD2-CD2 3.79Å; L1850-L1900 HydrophobicContact CD2-CG 4.12Å; L1850-L1900 HydrophobicContact CG-CD2 4.48Å; L1896-L1900 PolarHBondContact O-N 3.38Å; F1897-L1900 PolarHBondContact O-N 3.32Å; L1900-M1906 HydrophobicContact CD2-CE 4.05Å |
| 1901 | R | 51.7 | Low | 55.9 | Low | 159 Ų | 159 | 73.2 Ų | 73.2 | 60% | 0.6 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -73.6 | -29.4 | 176.7 | -171.2 | 178.6 | 172.9 | -175.8 | -1.7 | 113.3 | F1897 T1898 Y1899 | F1897-R1901 WeakPolarHBondContact O-CB 3.27Å; F1897-R1901 PolarHBondContact O-N 3.14Å; T1898-R1901 PolarHBondContact O-N 3.49Å; Y1899-R1901 VanDerWaalsContact C-N 3.25Å; Y1899-R1901 PolarHBondContact O-N 2.9Å |
| 1902 | M | 56.9 | Low | 56 | Low | 145 Ų | 145 | 70.9 Ų | 70.9 | 71% | 0.714 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -81.9 | -19.2 | -178.4 | -73.5 | -171.6 | 82.5 | 0 | 0 | 113.8 | T1898 Y1899 R1904 | T1898-M1902 HydrophobicContact CG2-SD 4.47Å; T1898-M1902 WeakPolarHBondContact O-CG 3.4Å; T1898-M1902 PolarHBondContact O-N 3.11Å; T1898-M1902 VanDerWaalsContact O-N 3.09Å; Y1899-M1902 PolarHBondContact O-N 3.01Å; Y1899-M1902 VanDerWaalsContact O-N 3.15Å; M1902-R1904 PolarHBondContact O-N 3.08Å |
| 1903 | E | 53.8 | Low | 55.9 | Low | 49 Ų | 49 | 80.1 Ų | 80.1 | 23% | 0.229 | 37% | 0.369 | C | S | . | . | trans | -70.6 | 91.9 | 176 | -79.4 | -158 | 157.3 | 0 | 0 | 111.8 | T1847 Y1899 N1905 | T1847-E1903 WeakPolarHBondContact CG2-OE2 3.37Å; T1847-E1903 PolarHBondContact OG1-OE1 3.29Å; T1847-E1903 PolarHBondContact OG1-OE2 3.12Å; Y1899-E1903 PolarHBondContact O-N 3.28Å; E1903-N1905 PolarHBondContact O-N 3.35Å; E1903-N1905 VanDerWaalsContact O-N 3.14Å | ||
| 1904 | R | 47.6 | Very low | 55.4 | Low | 235 Ų | 235 | 81.5 Ų | 81.5 | 89% | 0.887 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.4 | 178.3 | -74.3 | -175.8 | 172.8 | -178.7 | -2.2 | 115 | M1902 | M1902-R1904 PolarHBondContact O-N 3.08Š|
| 1905 | N | 49.9 | Very low | 55.3 | Low | 104 Ų | 104 | 79.5 Ų | 79.5 | 56% | 0.556 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -0.1 | -169.5 | -70 | 0.3 | 0 | 0 | 0 | 114.6 | E1903 T1907 | E1903-N1905 PolarHBondContact O-N 3.35Å; E1903-N1905 VanDerWaalsContact O-N 3.14Å; N1905-T1907 PolarHBondContact O-N 3.43Å |
| 1906 | M | 44.6 | Very low | 55.3 | Low | 39 Ų | 39 | 81 Ų | 81 | 19% | 0.192 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -68.2 | 129.6 | 168 | -83.3 | -131.4 | -117.2 | 0 | 0 | 109.6 | T1847 L1900 K1908 L1911 | T1847-M1906 HydrophobicContact CG2-CE 3.63Å; T1847-M1906 HydrophobicContact CG2-CG 3.91Å; T1847-M1906 HydrophobicContact CG2-SD 3.79Å; L1900-M1906 HydrophobicContact CD2-CE 4.05Å; M1906-K1908 PolarHBondContact O-N 3.18Å; M1906-K1908 VanDerWaalsContact O-N 3.15Å; M1906-L1911 HydrophobicContact CB-CB 4.46Å; M1906-L1911 HydrophobicContact CB-CD1 3.61Å; M1906-L1911 HydrophobicContact CB-CG 4.39Å; M1906-L1911 HydrophobicContact CE-CB 4.49Å; M1906-L1911 HydrophobicContact CE-CD1 3.42Å; M1906-L1911 VanDerWaalsContact CE-CD1 3.42Å; M1906-L1911 HydrophobicContact CE-CD2 4.38Å; M1906-L1911 HydrophobicContact CE-CG 3.47Å; M1906-L1911 VanDerWaalsContact CE-CG 3.47Å; M1906-L1911 HydrophobicContact CG-CD1 3.91Å; M1906-L1911 HydrophobicContact SD-CB 4.18Å; M1906-L1911 HydrophobicContact SD-CD1 3.78Å; M1906-L1911 HydrophobicContact SD-CG 3.77Å |
| 1907 | T | 50.7 | Low | 55 | Low | 84 Ų | 84 | 83.6 Ų | 83.6 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | trans | -54.2 | 125.2 | 165.9 | 50 | 0 | 0 | 0 | 0 | 107.8 | N1905 E1909 N1910 L1911 | N1905-T1907 PolarHBondContact O-N 3.43Å; T1907-E1909 PolarHBondContact O-N 3.18Å; T1907-N1910 PolarHBondContact O-N 3.15Å; T1907-N1910 PolarHBondContact OG1-ND2 3.43Å; T1907-L1911 PolarHBondContact O-N 3.18Å | ||
| 1908 | K | 51 | Low | 54.5 | Low | 107 Ų | 107 | 83.4 Ų | 83.4 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -42.3 | -36.3 | 179 | -97 | -172 | 179.9 | -160.3 | 0 | 111.3 | M1906 L1912 L1968 S1970 | M1906-K1908 PolarHBondContact O-N 3.18Å; M1906-K1908 VanDerWaalsContact O-N 3.15Å; K1908-L1912 WeakPolarHBondContact O-CB 3.47Å; K1908-L1912 WeakPolarHBondContact O-CD1 3.47Å; K1908-L1912 WeakPolarHBondContact O-CG 3.37Å; K1908-L1912 PolarHBondContact O-N 3.43Å; K1908-L1968 VanDerWaalsContact CD-O 3.22Å; K1908-L1968 WeakPolarHBondContact CD-O 3.46Å; K1908-L1968 WeakPolarHBondContact CE-O 3.42Å; K1908-L1968 HydrophobicContact CG-CD2 4.42Å; K1908-L1968 PolarHBondContact NZ-O 3.25Å; K1908-S1970 PolarHBondContact NZ-OXT 3.19Å |
| 1909 | E | 52.6 | Low | 54.6 | Low | 154 Ų | 154 | 80.6 Ų | 80.6 | 72% | 0.72 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | -178.3 | -156.2 | 169.4 | -159.4 | 0 | 0 | 115 | T1907 L1912 R1913 | T1907-E1909 PolarHBondContact O-N 3.18Å; E1909-L1912 PolarHBondContact O-N 3.19Å; E1909-R1913 WeakPolarHBondContact O-CB 3.46Å; E1909-R1913 PolarHBondContact O-N 2.8Å |
| 1910 | N | 52.1 | Low | 54.8 | Low | 80 Ų | 80 | 82.3 Ų | 82.3 | 43% | 0.428 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 179.5 | -81.9 | -19.7 | 0 | 0 | 0 | 111.6 | T1907 R1913 V1914 | T1907-N1910 PolarHBondContact O-N 3.15Å; T1907-N1910 PolarHBondContact OG1-ND2 3.43Å; N1910-R1913 PolarHBondContact O-N 3.23Å; N1910-V1914 WeakPolarHBondContact O-CG2 3.47Å; N1910-V1914 PolarHBondContact O-N 2.77Å |
| 1911 | L | 52.4 | Low | 54.5 | Low | 13 Ų | 13 | 85.9 Ų | 85.9 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175 | -129.9 | 157.8 | 0 | 0 | 0 | 109.9 | M1906 T1907 R1913 V1914 T1915 L1964 L1968 | M1906-L1911 HydrophobicContact CB-CB 4.46Å; M1906-L1911 HydrophobicContact CB-CD1 3.61Å; M1906-L1911 HydrophobicContact CB-CG 4.39Å; M1906-L1911 HydrophobicContact CE-CB 4.49Å; M1906-L1911 HydrophobicContact CE-CD1 3.42Å; M1906-L1911 VanDerWaalsContact CE-CD1 3.42Å; M1906-L1911 HydrophobicContact CE-CD2 4.38Å; M1906-L1911 HydrophobicContact CE-CG 3.47Å; M1906-L1911 VanDerWaalsContact CE-CG 3.47Å; M1906-L1911 HydrophobicContact CG-CD1 3.91Å; M1906-L1911 HydrophobicContact SD-CB 4.18Å; M1906-L1911 HydrophobicContact SD-CD1 3.78Å; M1906-L1911 HydrophobicContact SD-CG 3.77Å; T1907-L1911 PolarHBondContact O-N 3.18Å; L1911-R1913 VanDerWaalsContact C-N 3.34Å; L1911-R1913 PolarHBondContact O-N 3.07Å; L1911-V1914 PolarHBondContact O-N 2.85Å; L1911-T1915 VanDerWaalsContact O-CB 3.29Å; L1911-T1915 WeakPolarHBondContact O-CB 2.96Å; L1911-T1915 PolarHBondContact O-N 3.08Å; L1911-T1915 PolarHBondContact O-OG1 3.43Å; L1911-L1964 HydrophobicContact CD2-CD1 4.07Å; L1911-L1964 HydrophobicContact CD2-CD2 3.53Å; L1911-L1964 HydrophobicContact CD2-CG 3.87Å; L1911-L1968 HydrophobicContact CB-CD1 3.87Å; L1911-L1968 HydrophobicContact CB-CD2 4.35Å; L1911-L1968 HydrophobicContact CD1-CD2 4.28Å; L1911-L1968 HydrophobicContact CD2-CD1 3.81Å; L1911-L1968 HydrophobicContact CG-CD1 4.31Å |
| 1912 | L | 58.9 | Low | 54.6 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.4 | -45.1 | 172.5 | -91.7 | 158.1 | 0 | 0 | 0 | 112.2 | K1908 E1909 T1915 L1916 I1965 L1968 | K1908-L1912 WeakPolarHBondContact O-CB 3.47Å; K1908-L1912 WeakPolarHBondContact O-CD1 3.47Å; K1908-L1912 WeakPolarHBondContact O-CG 3.37Å; K1908-L1912 PolarHBondContact O-N 3.43Å; E1909-L1912 PolarHBondContact O-N 3.19Å; L1912-T1915 PolarHBondContact O-N 2.78Å; L1912-L1916 HydrophobicContact CD2-CD1 4.48Å; L1912-L1916 VanDerWaalsContact O-CB 3.28Å; L1912-L1916 WeakPolarHBondContact O-CB 3.33Å; L1912-L1916 PolarHBondContact O-N 3.28Å; L1912-I1965 HydrophobicContact CD2-CG1 4.22Å; L1912-I1965 HydrophobicContact CD2-CG2 4.24Å; L1912-L1968 HydrophobicContact CG-CD1 4.37Å |
| 1913 | R | 57.6 | Low | 55 | Low | 196 Ų | 196 | 73.6 Ų | 73.6 | 74% | 0.74 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | -177.4 | -148.4 | 178.8 | -162.5 | 175.2 | 5.2 | 112.4 | E1909 N1910 L1911 S1917 | E1909-R1913 WeakPolarHBondContact O-CB 3.46Å; E1909-R1913 PolarHBondContact O-N 2.8Å; N1910-R1913 PolarHBondContact O-N 3.23Å; L1911-R1913 VanDerWaalsContact C-N 3.34Å; L1911-R1913 PolarHBondContact O-N 3.07Å; R1913-S1917 WeakPolarHBondContact O-CB 3.21Å; R1913-S1917 PolarHBondContact O-N 2.87Å |
| 1914 | V | 53.4 | Low | 55.4 | Low | 49 Ų | 49 | 76.4 Ų | 76.4 | 30% | 0.297 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | N1910 L1911 S1917 L1918 | N1910-V1914 WeakPolarHBondContact O-CG2 3.47Å; N1910-V1914 PolarHBondContact O-N 2.77Å; L1911-V1914 PolarHBondContact O-N 2.85Å; V1914-S1917 WeakPolarHBondContact O-CB 3.46Å; V1914-S1917 PolarHBondContact O-N 3.4Å; V1914-L1918 HydrophobicContact CG1-CD1 4.17Å; V1914-L1918 WeakPolarHBondContact O-CG 3.44Å; V1914-L1918 PolarHBondContact O-N 3.13Å |
| 1915 | T | 56.3 | Low | 55.8 | Low | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | -179.9 | -46.4 | 0 | 0 | 0 | 0 | 112 | L1911 L1912 L1918 I1919 S1961 L1964 I1965 | L1911-T1915 VanDerWaalsContact O-CB 3.29Å; L1911-T1915 WeakPolarHBondContact O-CB 2.96Å; L1911-T1915 PolarHBondContact O-N 3.08Å; L1911-T1915 PolarHBondContact O-OG1 3.43Å; L1912-T1915 PolarHBondContact O-N 2.78Å; T1915-L1918 PolarHBondContact O-N 2.9Å; T1915-I1919 WeakPolarHBondContact O-CG1 3.39Å; T1915-I1919 PolarHBondContact O-N 3.29Å; T1915-S1961 WeakPolarHBondContact CG2-O 3.46Å; T1915-L1964 HydrophobicContact CG2-CB 4.08Å; T1915-L1964 HydrophobicContact CG2-CD2 3.9Å; T1915-L1964 HydrophobicContact CG2-CG 4.32Å; T1915-L1964 WeakPolarHBondContact OG1-CD2 3.37Å; T1915-I1965 HydrophobicContact CG2-CD1 4.16Å; T1915-I1965 HydrophobicContact CG2-CG1 3.61Å |
| 1916 | L | 61.8 | Low | 56 | Low | 82 Ų | 82 | 62.5 Ų | 62.5 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 173 | -94.7 | 148.5 | 0 | 0 | 0 | 111.9 | L1912 L1918 I1919 N1920 I1965 | L1912-L1916 HydrophobicContact CD2-CD1 4.48Å; L1912-L1916 VanDerWaalsContact O-CB 3.28Å; L1912-L1916 WeakPolarHBondContact O-CB 3.33Å; L1912-L1916 PolarHBondContact O-N 3.28Å; L1916-L1918 VanDerWaalsContact C-N 3.26Å; L1916-L1918 PolarHBondContact O-N 3.45Å; L1916-I1919 PolarHBondContact O-N 3.09Å; L1916-N1920 WeakPolarHBondContact O-CB 3.37Å; L1916-N1920 VanDerWaalsContact O-CG 3.29Å; L1916-N1920 PolarHBondContact O-N 3.03Å; L1916-I1965 HydrophobicContact CG-CD1 4.21Å |
| 1917 | S | 59.1 | Low | 56.8 | Low | 54 Ų | 54 | 64 Ų | 64 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 175 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | R1913 V1914 Q1921 | R1913-S1917 WeakPolarHBondContact O-CB 3.21Å; R1913-S1917 PolarHBondContact O-N 2.87Å; V1914-S1917 WeakPolarHBondContact O-CB 3.46Å; V1914-S1917 PolarHBondContact O-N 3.4Å; S1917-Q1921 WeakPolarHBondContact O-CG 3.46Å; S1917-Q1921 PolarHBondContact O-N 3.48Å; S1917-Q1921 VanDerWaalsContact O-N 3.17Å |
| 1918 | L | 52.2 | Low | 57 | Low | 14 Ų | 14 | 62.8 Ų | 62.8 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.7 | -41.5 | 176.9 | -76.7 | 164.4 | 0 | 0 | 0 | 112.1 | L1855 V1914 T1915 L1916 Q1921 A1922 | L1855-L1918 HydrophobicContact CD2-CD2 4.04Å; L1855-L1918 HydrophobicContact CD2-CG 4.49Å; V1914-L1918 HydrophobicContact CG1-CD1 4.17Å; V1914-L1918 WeakPolarHBondContact O-CG 3.44Å; V1914-L1918 PolarHBondContact O-N 3.13Å; T1915-L1918 PolarHBondContact O-N 2.9Å; L1916-L1918 VanDerWaalsContact C-N 3.26Å; L1916-L1918 PolarHBondContact O-N 3.45Å; L1918-Q1921 PolarHBondContact O-N 3.29Å; L1918-A1922 WeakPolarHBondContact O-CB 3.43Å; L1918-A1922 PolarHBondContact O-N 3.33Å |
| 1919 | I | 61.2 | Low | 56.9 | Low | 15 Ų | 15 | 59.8 Ų | 59.8 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.6 | -69.1 | 175.4 | 0 | 0 | 0 | 110.3 | T1915 L1916 Q1921 A1922 D1923 L1962 I1965 | T1915-I1919 WeakPolarHBondContact O-CG1 3.39Å; T1915-I1919 PolarHBondContact O-N 3.29Å; L1916-I1919 PolarHBondContact O-N 3.09Å; I1919-Q1921 VanDerWaalsContact C-N 3.32Å; I1919-Q1921 PolarHBondContact O-N 2.89Å; I1919-A1922 PolarHBondContact O-N 3.05Å; I1919-A1922 VanDerWaalsContact O-N 3.13Å; I1919-D1923 WeakPolarHBondContact CG2-OD2 3.5Å; I1919-D1923 WeakPolarHBondContact O-CB 3.37Å; I1919-D1923 PolarHBondContact O-N 3.3Å; I1919-L1962 HydrophobicContact CD1-CD2 4.39Å; I1919-L1962 HydrophobicContact CD1-CG 4.21Å; I1919-I1965 HydrophobicContact CD1-CD1 3.27Å; I1919-I1965 HydrophobicContact CD1-CG1 4.19Å |
| 1920 | N | 65.1 | Low | 57 | Low | 89 Ų | 89 | 52.6 Ų | 52.6 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 179.3 | -71.2 | -9.5 | 0 | 0 | 0 | 111.5 | L1916 D1923 D1924 | L1916-N1920 WeakPolarHBondContact O-CB 3.37Å; L1916-N1920 VanDerWaalsContact O-CG 3.29Å; L1916-N1920 PolarHBondContact O-N 3.03Å; N1920-D1923 PolarHBondContact O-N 3.45Å; N1920-D1924 WeakPolarHBondContact O-CB 3.32Å; N1920-D1924 VanDerWaalsContact O-CG 3.29Å; N1920-D1924 PolarHBondContact O-N 3.48Å |
| 1921 | Q | 56.7 | Low | 57.2 | Low | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 175.4 | -75.7 | 177.6 | 6 | 0 | 0 | 112.9 | S1917 L1918 I1919 H1925 | S1917-Q1921 WeakPolarHBondContact O-CG 3.46Å; S1917-Q1921 PolarHBondContact O-N 3.48Å; S1917-Q1921 VanDerWaalsContact O-N 3.17Å; L1918-Q1921 PolarHBondContact O-N 3.29Å; I1919-Q1921 VanDerWaalsContact C-N 3.32Å; I1919-Q1921 PolarHBondContact O-N 2.89Å; Q1921-H1925 WeakPolarHBondContact O-CB 3.31Å; Q1921-H1925 PolarHBondContact O-N 2.82Å; Q1921-H1925 VanDerWaalsContact O-N 3.09Å |
| 1922 | A | 53.4 | Low | 57 | Low | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1918 I1919 H1925 L1926 T1957 R1958 | L1918-A1922 WeakPolarHBondContact O-CB 3.43Å; L1918-A1922 PolarHBondContact O-N 3.33Å; I1919-A1922 PolarHBondContact O-N 3.05Å; I1919-A1922 VanDerWaalsContact O-N 3.13Å; A1922-H1925 PolarHBondContact O-N 3.01Å; A1922-L1926 WeakPolarHBondContact O-CG 3.18Å; A1922-L1926 PolarHBondContact O-N 3.05Å; A1922-T1957 HydrophobicContact CB-CG2 4.19Å; A1922-R1958 HydrophobicContact CB-CB 4.29Å |
| 1923 | D | 64.4 | Low | 56.2 | Low | 38 Ų | 38 | 63.5 Ų | 63.5 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.8 | -43 | 177.9 | -77.9 | -14.1 | 0 | 0 | 0 | 111.6 | I1919 N1920 H1925 L1926 L1927 R1958 | I1919-D1923 WeakPolarHBondContact CG2-OD2 3.5Å; I1919-D1923 WeakPolarHBondContact O-CB 3.37Å; I1919-D1923 PolarHBondContact O-N 3.3Å; N1920-D1923 PolarHBondContact O-N 3.45Å; D1923-H1925 PolarHBondContact O-N 3.3Å; D1923-L1926 PolarHBondContact O-N 3.35Å; D1923-L1927 WeakPolarHBondContact O-CB 3.49Å; D1923-L1927 PolarHBondContact O-N 2.89Å; D1923-R1958 WeakPolarHBondContact OD1-CD 3.43Å; D1923-R1958 IonicContact OD1-CZ 3.95Å; D1923-R1958 IonicContact OD1-NE 3.61Å; D1923-R1958 IonicContact OD1-NH1 3.93Å; D1923-R1958 PolarHBondContact OD1-NH1 3.46Å; D1923-R1958 IonicContact OD2-NH1 3.11Å |
| 1924 | D | 63.1 | Low | 55.8 | Low | 108 Ų | 108 | 57.7 Ų | 57.7 | 58% | 0.578 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.6 | -37.5 | 172.1 | -76.2 | -20.4 | 0 | 0 | 0 | 111.3 | N1920 L1927 S1928 | N1920-D1924 WeakPolarHBondContact O-CB 3.32Å; N1920-D1924 VanDerWaalsContact O-CG 3.29Å; N1920-D1924 PolarHBondContact O-N 3.48Å; D1924-L1927 WeakPolarHBondContact O-CB 3.19Å; D1924-S1928 PolarHBondContact O-N 2.79Å |
| 1925 | H | 54.9 | Low | 55.4 | Low | 44 Ų | 44 | 59 Ų | 59 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.7 | -43.2 | 174.8 | -168.6 | -7.5 | 0 | 0 | 0 | 112.6 | N1862 Q1921 A1922 D1923 L1927 S1928 I1929 A1954 | N1862-H1925 PolarHBondContact OD1-CD2 3.07Å; N1862-H1925 VanDerWaalsContact OD1-CD2 3.24Å; N1862-H1925 PolarHBondContact OD1-NE2 3.13Å; Q1921-H1925 WeakPolarHBondContact O-CB 3.31Å; Q1921-H1925 PolarHBondContact O-N 2.82Å; Q1921-H1925 VanDerWaalsContact O-N 3.09Å; A1922-H1925 PolarHBondContact O-N 3.01Å; D1923-H1925 PolarHBondContact O-N 3.3Å; H1925-L1927 PolarHBondContact O-N 3.27Å; H1925-S1928 PolarHBondContact ND1-OG 2.98Å; H1925-S1928 PolarHBondContact O-N 3.47Å; H1925-S1928 PolarHBondContact O-OG 2.99Å; H1925-S1928 VanDerWaalsContact O-OG 3.05Å; H1925-I1929 WeakPolarHBondContact CE1-CD1 3.31Å; H1925-I1929 WeakPolarHBondContact ND1-CD1 3.46Å; H1925-I1929 WeakPolarHBondContact O-CG1 3.22Å; H1925-I1929 PolarHBondContact O-N 2.85Å; H1925-A1954 HydrophobicContact CB-CB 4.48Å |
| 1926 | L | 55.1 | Low | 55.5 | Low | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 173.5 | -82.5 | 165 | 0 | 0 | 0 | 110.5 | A1922 D1923 I1929 C1930 I1940 L1941 A1954 V1955 | A1922-L1926 WeakPolarHBondContact O-CG 3.18Å; A1922-L1926 PolarHBondContact O-N 3.05Å; D1923-L1926 PolarHBondContact O-N 3.35Å; L1926-I1929 PolarHBondContact O-N 2.95Å; L1926-C1930 WeakPolarHBondContact O-CB 3.43Å; L1926-C1930 PolarHBondContact O-N 3.11Å; L1926-C1930 PolarHBondContact O-SG 2.83Å; L1926-I1940 HydrophobicContact CD2-CG2 4.21Å; L1926-L1941 HydrophobicContact CD1-CD2 4.5Å; L1926-A1954 HydrophobicContact CD1-CB 4.32Å; L1926-A1954 HydrophobicContact CD2-CB 4.18Å; L1926-A1954 HydrophobicContact CG-CB 3.75Å; L1926-V1955 HydrophobicContact CD2-CG2 3.92Å |
| 1927 | L | 61.2 | Low | 55.2 | Low | 70 Ų | 70 | 63.1 Ų | 63.1 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -48 | 172 | -96.1 | 153.7 | 0 | 0 | 0 | 111.8 | D1923 D1924 H1925 I1929 C1930 N1931 I1937 | D1923-L1927 WeakPolarHBondContact O-CB 3.49Å; D1923-L1927 PolarHBondContact O-N 2.89Å; D1924-L1927 WeakPolarHBondContact O-CB 3.19Å; H1925-L1927 PolarHBondContact O-N 3.27Å; L1927-I1929 PolarHBondContact O-N 3.28Å; L1927-C1930 PolarHBondContact O-N 2.79Å; L1927-N1931 VanDerWaalsContact O-CB 3.32Å; L1927-N1931 WeakPolarHBondContact O-CB 3.37Å; L1927-N1931 VanDerWaalsContact O-CG 3.26Å; L1927-N1931 PolarHBondContact O-N 3Å; L1927-I1937 HydrophobicContact CD1-CD1 4.45Å; L1927-I1937 HydrophobicContact CD2-CD1 3.68Å; L1927-I1937 HydrophobicContact CG-CD1 3.59Å |
| 1928 | S | 55.5 | Low | 55 | Low | 59 Ų | 59 | 67.9 Ų | 67.9 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 179.2 | 87 | 0 | 0 | 0 | 0 | 111.4 | D1924 H1925 N1931 V1932 | D1924-S1928 PolarHBondContact O-N 2.79Å; H1925-S1928 PolarHBondContact ND1-OG 2.98Å; H1925-S1928 PolarHBondContact O-N 3.47Å; H1925-S1928 PolarHBondContact O-OG 2.99Å; H1925-S1928 VanDerWaalsContact O-OG 3.05Å; S1928-N1931 PolarHBondContact O-N 2.66Å; S1928-V1932 VanDerWaalsContact O-CG2 3.22Å; S1928-V1932 WeakPolarHBondContact O-CG2 3.38Å; S1928-V1932 PolarHBondContact O-N 3.36Å |
| 1929 | I | 47.9 | Very low | 55.1 | Low | 44 Ų | 44 | 74.2 Ų | 74.2 | 23% | 0.226 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 176 | -67.1 | 166.7 | 0 | 0 | 0 | 110.9 | H1925 L1926 L1927 V1932 K1933 | H1925-I1929 WeakPolarHBondContact CE1-CD1 3.31Å; H1925-I1929 WeakPolarHBondContact ND1-CD1 3.46Å; H1925-I1929 WeakPolarHBondContact O-CG1 3.22Å; H1925-I1929 PolarHBondContact O-N 2.85Å; L1926-I1929 PolarHBondContact O-N 2.95Å; L1927-I1929 PolarHBondContact O-N 3.28Å; I1929-V1932 PolarHBondContact O-N 3.46Å; I1929-K1933 HydrophobicContact CG2-CD 4.34Å; I1929-K1933 WeakPolarHBondContact O-CB 3.47Å; I1929-K1933 PolarHBondContact O-N 3.26Å |
| 1930 | C | 54.5 | Low | 54.5 | Low | 4 Ų | 4 | 74 Ų | 74 | 3% | 0.027 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 178.7 | -77.1 | 0 | 0 | 0 | 0 | 111.5 | L1926 L1927 K1933 G1934 L1935 I1937 I1940 | L1926-C1930 WeakPolarHBondContact O-CB 3.43Å; L1926-C1930 PolarHBondContact O-N 3.11Å; L1926-C1930 PolarHBondContact O-SG 2.83Å; L1927-C1930 PolarHBondContact O-N 2.79Å; C1930-K1933 CarbonylContact O-C 3.58Å; C1930-K1933 PolarHBondContact O-N 3.43Å; C1930-K1933 VanDerWaalsContact O-N 3.17Å; C1930-G1934 WeakPolarHBondContact O-CA 3.28Å; C1930-G1934 PolarHBondContact O-N 3.33Å; C1930-L1935 VanDerWaalsContact CB-O 3.28Å; C1930-L1935 WeakPolarHBondContact CB-O 3.18Å; C1930-L1935 PolarHBondContact O-N 2.72Å; C1930-I1937 HydrophobicContact CB-CG1 4.05Å; C1930-I1937 VanDerWaalsContact SG-CG1 3.53Å; C1930-I1940 WeakPolarHBondContact SG-CD1 3.46Å |
| 1931 | N | 57.5 | Low | 53.7 | Low | 127 Ų | 127 | 72.1 Ų | 72.1 | 68% | 0.679 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.1 | -41.4 | 176.1 | -76.9 | -15.5 | 0 | 0 | 0 | 111.6 | L1927 S1928 K1933 | L1927-N1931 VanDerWaalsContact O-CB 3.32Å; L1927-N1931 WeakPolarHBondContact O-CB 3.37Å; L1927-N1931 VanDerWaalsContact O-CG 3.26Å; L1927-N1931 PolarHBondContact O-N 3Å; S1928-N1931 PolarHBondContact O-N 2.66Å; N1931-K1933 VanDerWaalsContact C-N 3.28Å; N1931-K1933 PolarHBondContact O-N 3.22Å |
| 1932 | V | 47.7 | Very low | 53.5 | Low | 122 Ų | 122 | 70.2 Ų | 70.2 | 74% | 0.739 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.8 | -33.2 | 175 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | S1928 I1929 | S1928-V1932 VanDerWaalsContact O-CG2 3.22Å; S1928-V1932 WeakPolarHBondContact O-CG2 3.38Å; S1928-V1932 PolarHBondContact O-N 3.36Å; I1929-V1932 PolarHBondContact O-N 3.46Å |
| 1933 | K | 41.8 | Very low | 53 | Low | 116 Ų | 116 | 74.5 Ų | 74.5 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -99.4 | -3.5 | -175.6 | -70 | -166.6 | 172.1 | -175.5 | 0 | 115.6 | I1929 C1930 N1931 L1935 | I1929-K1933 HydrophobicContact CG2-CD 4.34Å; I1929-K1933 WeakPolarHBondContact O-CB 3.47Å; I1929-K1933 PolarHBondContact O-N 3.26Å; C1930-K1933 CarbonylContact O-C 3.58Å; C1930-K1933 PolarHBondContact O-N 3.43Å; C1930-K1933 VanDerWaalsContact O-N 3.17Å; N1931-K1933 VanDerWaalsContact C-N 3.28Å; N1931-K1933 PolarHBondContact O-N 3.22Å; K1933-L1935 HydrophobicContact CB-CB 4.4Å; K1933-L1935 HydrophobicContact CB-CD1 3.63Å; K1933-L1935 HydrophobicContact CB-CG 3.78Å; K1933-L1935 HydrophobicContact CD-CD1 3.76Å; K1933-L1935 HydrophobicContact CG-CD1 4.35Å; K1933-L1935 PolarHBondContact O-N 3.19Å |
| 1934 | G | 48.1 | Very low | 52 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 75% | 0.753 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 23.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C1930 | C1930-G1934 WeakPolarHBondContact O-CA 3.28Å; C1930-G1934 PolarHBondContact O-N 3.33Å |
| 1935 | L | 45.2 | Very low | 50.8 | Low | 77 Ų | 77 | 81 Ų | 81 | 40% | 0.403 | 44% | 0.44 | S | S | . | . | trans | -91.2 | 142.9 | -177.1 | -70 | 168.8 | 0 | 0 | 0 | 110.9 | C1930 K1933 I1940 | C1930-L1935 VanDerWaalsContact CB-O 3.28Å; C1930-L1935 WeakPolarHBondContact CB-O 3.18Å; C1930-L1935 PolarHBondContact O-N 2.72Å; K1933-L1935 HydrophobicContact CB-CB 4.4Å; K1933-L1935 HydrophobicContact CB-CD1 3.63Å; K1933-L1935 HydrophobicContact CB-CG 3.78Å; K1933-L1935 HydrophobicContact CD-CD1 3.76Å; K1933-L1935 HydrophobicContact CG-CD1 4.35Å; K1933-L1935 PolarHBondContact O-N 3.19Å; L1935-I1940 HydrophobicContact CB-CD1 4.01Å; L1935-I1940 HydrophobicContact CB-CG1 4.43Å; L1935-I1940 HydrophobicContact CD1-CD1 3.87Å; L1935-I1940 HydrophobicContact CD1-CG1 4.47Å | ||
| 1936 | Q | 59.1 | Low | 49.8 | Very low | 119 Ų | 119 | 83.2 Ų | 83.2 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | trans | -80.5 | 127.2 | 168.4 | -71.1 | 179.6 | -27 | 0 | 0 | 109.7 | E1938 K1939 | Q1936-E1938 PolarHBondContact O-N 2.98Å; Q1936-K1939 PolarHBondContact O-N 3.37Å | ||
| 1937 | I | 54.6 | Low | 48.8 | Very low | 51 Ų | 51 | 89.7 Ų | 89.7 | 26% | 0.262 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -52 | -40.5 | -179.6 | -66.2 | 161.9 | 0 | 0 | 0 | 111.7 | L1927 C1930 K1939 I1940 L1941 | L1927-I1937 HydrophobicContact CD1-CD1 4.45Å; L1927-I1937 HydrophobicContact CD2-CD1 3.68Å; L1927-I1937 HydrophobicContact CG-CD1 3.59Å; C1930-I1937 HydrophobicContact CB-CG1 4.05Å; C1930-I1937 VanDerWaalsContact SG-CG1 3.53Å; I1937-K1939 PolarHBondContact O-N 3.3Å; I1937-I1940 PolarHBondContact O-N 3.5Å; I1937-L1941 HydrophobicContact CG2-CD1 3.8Å; I1937-L1941 HydrophobicContact CG2-CG 4.29Å; I1937-L1941 PolarHBondContact O-N 2.93Å; I1937-L1941 VanDerWaalsContact O-N 3.1Å |
| 1938 | E | 56.7 | Low | 47.5 | Very low | 154 Ų | 154 | 88 Ų | 88 | 72% | 0.72 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.7 | -34.4 | -179.1 | -68.3 | 160.8 | 172.6 | 0 | 0 | 112.5 | Q1936 | Q1936-E1938 PolarHBondContact O-N 2.98Å |
| 1939 | K | 52.5 | Low | 46.7 | Very low | 147 Ų | 147 | 91.8 Ų | 91.8 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.6 | -27.2 | 176.3 | -73.4 | -173.1 | 177.9 | 178.2 | 0 | 113.1 | Q1936 I1937 | Q1936-K1939 PolarHBondContact O-N 3.37Å; I1937-K1939 PolarHBondContact O-N 3.3Å |
| 1940 | I | 48.7 | Very low | 46.4 | Very low | 11 Ų | 11 | 96.3 Ų | 96.3 | 6% | 0.056 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -75.5 | -34.7 | 176.8 | -59.3 | -170.7 | 0 | 0 | 0 | 110.9 | L1926 C1930 L1935 I1937 A1942 W1946 V1955 | L1926-I1940 HydrophobicContact CD2-CG2 4.21Å; C1930-I1940 WeakPolarHBondContact SG-CD1 3.46Å; L1935-I1940 HydrophobicContact CB-CD1 4.01Å; L1935-I1940 HydrophobicContact CB-CG1 4.43Å; L1935-I1940 HydrophobicContact CD1-CD1 3.87Å; L1935-I1940 HydrophobicContact CD1-CG1 4.47Å; I1937-I1940 PolarHBondContact O-N 3.5Å; I1940-A1942 VanDerWaalsContact C-N 3.27Å; I1940-A1942 PolarHBondContact O-N 2.77Å; I1940-W1946 HydrophobicContact CG1-CZ2 4.39Å; I1940-W1946 HydrophobicContact CG2-CZ2 3.99Å; I1940-V1955 HydrophobicContact CG2-CG2 4.12Å |
| 1941 | L | 49.5 | Very low | 46 | Very low | 50 Ų | 50 | 99 Ų | 99 | 26% | 0.262 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -74.1 | -14.3 | 178.2 | -64.9 | 168.8 | 0 | 0 | 0 | 113.7 | L1926 I1937 I1943 R1958 | L1926-L1941 HydrophobicContact CD1-CD2 4.5Å; I1937-L1941 HydrophobicContact CG2-CD1 3.8Å; I1937-L1941 HydrophobicContact CG2-CG 4.29Å; I1937-L1941 PolarHBondContact O-N 2.93Å; I1937-L1941 VanDerWaalsContact O-N 3.1Å; L1941-I1943 VanDerWaalsContact C-N 3.29Å; L1941-I1943 PolarHBondContact O-N 3.16Å; L1941-R1958 VanDerWaalsContact CD1-CZ 3.49Å |
| 1942 | A | 52.8 | Low | 45.7 | Very low | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | trans | -75.6 | 80.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1940 E1944 S1945 | I1940-A1942 VanDerWaalsContact C-N 3.27Å; I1940-A1942 PolarHBondContact O-N 2.77Å; A1942-E1944 PolarHBondContact O-N 3.41Å; A1942-E1944 VanDerWaalsContact O-N 3.07Å; A1942-S1945 PolarHBondContact O-N 3.33Å; A1942-S1945 VanDerWaalsContact O-N 3.1Å; A1942-S1945 PolarHBondContact O-OG 3.47Å | ||
| 1943 | I | 41.7 | Very low | 45.7 | Very low | 98 Ų | 98 | 91 Ų | 91 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -51.3 | -32.5 | -174.1 | -66.8 | 167.1 | 0 | 0 | 0 | 113 | L1941 S1945 W1946 D1959 | L1941-I1943 VanDerWaalsContact C-N 3.29Å; L1941-I1943 PolarHBondContact O-N 3.16Å; I1943-S1945 PolarHBondContact O-N 2.96Å; I1943-W1946 PolarHBondContact O-N 2.8Å; I1943-W1946 VanDerWaalsContact O-N 3.11Å; I1943-D1959 WeakPolarHBondContact CD1-OD2 3.46Å |
| 1944 | E | 44.5 | Very low | 46.2 | Very low | 201 Ų | 201 | 85.8 Ų | 85.8 | 94% | 0.939 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -61.1 | -15.4 | -178.2 | -66.6 | -175 | 166.3 | 0 | 0 | 113.7 | A1942 | A1942-E1944 PolarHBondContact O-N 3.41Å; A1942-E1944 VanDerWaalsContact O-N 3.07Å |
| 1945 | S | 37.9 | Very low | 46.7 | Very low | 80 Ų | 80 | 82.7 Ų | 82.7 | 56% | 0.559 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -91.7 | -8.6 | 178.8 | 63.5 | 0 | 0 | 0 | 0 | 115.3 | A1942 I1943 C1947 | A1942-S1945 PolarHBondContact O-N 3.33Å; A1942-S1945 VanDerWaalsContact O-N 3.1Å; A1942-S1945 PolarHBondContact O-OG 3.47Å; I1943-S1945 PolarHBondContact O-N 2.96Å; S1945-C1947 PolarHBondContact O-N 3.42Å |
| 1946 | W | 33.5 | Very low | 47.2 | Very low | 92 Ų | 92 | 81.6 Ų | 81.6 | 35% | 0.348 | 44% | 0.439 | S | S | . | . | trans | -103.1 | 85.2 | -173.9 | -73.3 | 60 | 0 | 0 | 0 | 112.4 | I1940 I1943 G1948 I1950 P1952 | I1940-W1946 HydrophobicContact CG1-CZ2 4.39Å; I1940-W1946 HydrophobicContact CG2-CZ2 3.99Å; I1943-W1946 PolarHBondContact O-N 2.8Å; I1943-W1946 VanDerWaalsContact O-N 3.11Å; W1946-G1948 PolarHBondContact O-N 2.66Å; W1946-I1950 WeakPolarHBondContact CZ3-O 3.45Å; W1946-P1952 HydrophobicContact CH2-CG 3.99Å; W1946-P1952 HydrophobicContact CZ3-CG 4.06Å | ||
| 1947 | C | 33.2 | Very low | 46.9 | Very low | 137 Ų | 137 | 76.9 Ų | 76.9 | 93% | 0.926 | 42% | 0.418 | S | S | * | . | trans | -91.9 | 70 | 163.4 | -68.9 | 0 | 0 | 0 | 0 | 109.9 | S1945 | S1945-C1947 PolarHBondContact O-N 3.42Š| ||
| 1948 | G | 34.6 | Very low | 47 | Very low | 36 Ų | 36 | 76.9 Ų | 76.9 | 37% | 0.371 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -159.8 | 145.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1946 I1950 | W1946-G1948 PolarHBondContact O-N 2.66Å; G1948-I1950 PolarHBondContact O-N 3.01Å; G1948-I1950 VanDerWaalsContact O-N 3.1Å |
| 1949 | P | 38.2 | Very low | 47.3 | Very low | 138 Ų | 138 | 71.9 Ų | 71.9 | 90% | 0.896 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -70.1 | -5.4 | -173.1 | 27.2 | -33.7 | 0 | 0 | 0 | 114.6 | I1951 | P1949-I1951 PolarHBondContact O-N 3.11Š|
| 1950 | I | 42.4 | Very low | 47.4 | Very low | 139 Ų | 139 | 68 Ų | 68 | 71% | 0.713 | 38% | 0.375 | S | S | * | . | trans | -99.8 | 75.3 | 176.3 | -51.1 | 172.2 | 0 | 0 | 0 | 107.6 | W1946 G1948 | W1946-I1950 WeakPolarHBondContact CZ3-O 3.45Å; G1948-I1950 PolarHBondContact O-N 3.01Å; G1948-I1950 VanDerWaalsContact O-N 3.1Å | ||
| 1951 | I | 45.3 | Very low | 47.8 | Very low | 61 Ų | 61 | 67.9 Ų | 67.9 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | trans | -79.9 | 127.2 | 160.9 | -63.6 | 172.7 | 0 | 0 | 0 | 105.5 | P1949 F1953 V1955 F1956 | P1949-I1951 PolarHBondContact O-N 3.11Å; I1951-F1953 PolarHBondContact O-N 3.08Å; I1951-F1953 VanDerWaalsContact O-N 3.17Å; I1951-V1955 HydrophobicContact CG2-CB 3.84Å; I1951-V1955 HydrophobicContact CG2-CG1 4.09Å; I1951-V1955 HydrophobicContact CG2-CG2 4.44Å; I1951-F1956 HydrophobicContact CB-CD2 4.21Å; I1951-F1956 HydrophobicContact CB-CE2 3.74Å; I1951-F1956 HydrophobicContact CD1-CE2 4.02Å; I1951-F1956 HydrophobicContact CD1-CZ 3.99Å; I1951-F1956 HydrophobicContact CG1-CE2 4.44Å; I1951-F1956 HydrophobicContact CG2-CD2 3.88Å; I1951-F1956 HydrophobicContact CG2-CE2 3.79Å | ||
| 1952 | P | 50.9 | Low | 48.3 | Very low | 20 Ų | 20 | 68.3 Ų | 68.3 | 13% | 0.13 | 38% | 0.378 | C | S | . | . | trans | -56.5 | 127 | 178.7 | -17.2 | 28.1 | 0 | 0 | 0 | 108.4 | W1946 A1954 V1955 | W1946-P1952 HydrophobicContact CH2-CG 3.99Å; W1946-P1952 HydrophobicContact CZ3-CG 4.06Å; P1952-A1954 PolarHBondContact O-N 3.23Å; P1952-V1955 HydrophobicContact CB-CG2 4.15Å; P1952-V1955 HydrophobicContact CG-CG2 4.05Å; P1952-V1955 WeakPolarHBondContact O-CA 3.4Å; P1952-V1955 WeakPolarHBondContact O-CB 3.39Å; P1952-V1955 PolarHBondContact O-N 3.45Å | ||
| 1953 | F | 48.8 | Very low | 48.6 | Very low | 59 Ų | 59 | 71.1 Ų | 71.1 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53.5 | -28.8 | -179.3 | -170.9 | -102.6 | 0 | 0 | 0 | 111.8 | M1858 M1861 M1865 I1893 I1951 V1955 F1956 T1957 | M1858-F1953 HydrophobicContact CE-CE1 3.49Å; M1858-F1953 VanDerWaalsContact CE-CE1 3.49Å; M1858-F1953 HydrophobicContact CE-CZ 3.93Å; M1858-F1953 HydrophobicContact SD-CE1 4.06Å; M1858-F1953 HydrophobicContact SD-CZ 4.12Å; M1861-F1953 HydrophobicContact SD-CZ 4.3Å; M1865-F1953 HydrophobicContact CE-CB 4.01Å; I1893-F1953 HydrophobicContact CD1-CZ 4.3Å; I1951-F1953 PolarHBondContact O-N 3.08Å; I1951-F1953 VanDerWaalsContact O-N 3.17Å; F1953-V1955 VanDerWaalsContact C-N 3.3Å; F1953-V1955 PolarHBondContact O-N 3.08Å; F1953-F1956 CarbonylContact O-C 3.51Å; F1953-F1956 WeakPolarHBondContact O-CA 3.49Å; F1953-F1956 WeakPolarHBondContact O-CB 3.36Å; F1953-F1956 PolarHBondContact O-N 3.28Å; F1953-T1957 WeakPolarHBondContact CD1-OG1 3.34Å; F1953-T1957 WeakPolarHBondContact CE1-OG1 3.46Å; F1953-T1957 PolarHBondContact O-N 3.27Å; F1953-T1957 PolarHBondContact O-OG1 3.4Å |
| 1954 | A | 52.5 | Low | 49 | Very low | 8 Ų | 8 | 67.1 Ų | 67.1 | 7% | 0.066 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58 | -34.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1925 L1926 P1952 R1958 | H1925-A1954 HydrophobicContact CB-CB 4.48Å; L1926-A1954 HydrophobicContact CD1-CB 4.32Å; L1926-A1954 HydrophobicContact CD2-CB 4.18Å; L1926-A1954 HydrophobicContact CG-CB 3.75Å; P1952-A1954 PolarHBondContact O-N 3.23Å; A1954-R1958 WeakPolarHBondContact O-CB 3.13Å; A1954-R1958 PolarHBondContact O-N 2.84Å |
| 1955 | V | 58.6 | Low | 49.6 | Very low | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 172 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | L1926 I1940 I1951 P1952 F1953 R1958 D1959 | L1926-V1955 HydrophobicContact CD2-CG2 3.92Å; I1940-V1955 HydrophobicContact CG2-CG2 4.12Å; I1951-V1955 HydrophobicContact CG2-CB 3.84Å; I1951-V1955 HydrophobicContact CG2-CG1 4.09Å; I1951-V1955 HydrophobicContact CG2-CG2 4.44Å; P1952-V1955 HydrophobicContact CB-CG2 4.15Å; P1952-V1955 HydrophobicContact CG-CG2 4.05Å; P1952-V1955 WeakPolarHBondContact O-CA 3.4Å; P1952-V1955 WeakPolarHBondContact O-CB 3.39Å; P1952-V1955 PolarHBondContact O-N 3.45Å; F1953-V1955 VanDerWaalsContact C-N 3.3Å; F1953-V1955 PolarHBondContact O-N 3.08Å; V1955-R1958 PolarHBondContact O-N 2.96Å; V1955-D1959 WeakPolarHBondContact O-CB 3.33Å; V1955-D1959 PolarHBondContact O-N 2.87Å |
| 1956 | F | 54.5 | Low | 50.6 | Low | 55 Ų | 55 | 58.9 Ų | 58.9 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -49.7 | 174.5 | -85.2 | -67.2 | 0 | 0 | 0 | 112 | R1890 I1951 F1953 R1958 D1959 Y1960 | R1890-F1956 VanDerWaalsContact NH2-CZ 3.34Å; I1951-F1956 HydrophobicContact CB-CD2 4.21Å; I1951-F1956 HydrophobicContact CB-CE2 3.74Å; I1951-F1956 HydrophobicContact CD1-CE2 4.02Å; I1951-F1956 HydrophobicContact CD1-CZ 3.99Å; I1951-F1956 HydrophobicContact CG1-CE2 4.44Å; I1951-F1956 HydrophobicContact CG2-CD2 3.88Å; I1951-F1956 HydrophobicContact CG2-CE2 3.79Å; F1953-F1956 CarbonylContact O-C 3.51Å; F1953-F1956 WeakPolarHBondContact O-CA 3.49Å; F1953-F1956 WeakPolarHBondContact O-CB 3.36Å; F1953-F1956 PolarHBondContact O-N 3.28Å; F1956-R1958 PolarHBondContact O-N 3.16Å; F1956-D1959 PolarHBondContact O-N 2.92Å; F1956-Y1960 HydrophobicContact CD1-CD2 4.26Å; F1956-Y1960 AromaticContact CD1-CE2 3.91Å; F1956-Y1960 HydrophobicContact CD1-CE2 3.91Å; F1956-Y1960 WeakPolarHBondContact O-CB 3.45Å; F1956-Y1960 WeakPolarHBondContact O-CD2 3.34Å; F1956-Y1960 PolarHBondContact O-N 3.36Å |
| 1957 | T | 53.6 | Low | 51.3 | Low | 19 Ų | 19 | 56.1 Ų | 56.1 | 12% | 0.117 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 177.6 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | M1858 A1922 F1953 S1961 | M1858-T1957 HydrophobicContact CE-CG2 3.7Å; A1922-T1957 HydrophobicContact CB-CG2 4.19Å; F1953-T1957 WeakPolarHBondContact CD1-OG1 3.34Å; F1953-T1957 WeakPolarHBondContact CE1-OG1 3.46Å; F1953-T1957 PolarHBondContact O-N 3.27Å; F1953-T1957 PolarHBondContact O-OG1 3.4Å; T1957-S1961 WeakPolarHBondContact O-CB 3.4Å; T1957-S1961 PolarHBondContact O-N 2.84Å; T1957-S1961 PolarHBondContact O-OG 2.88Å |
| 1958 | R | 57.3 | Low | 52.1 | Low | 51 Ų | 51 | 50.8 Ų | 50.8 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 175.9 | -176.1 | -172.7 | 171.1 | 144.6 | -5.5 | 112.1 | A1922 D1923 L1941 A1954 V1955 F1956 S1961 L1962 | A1922-R1958 HydrophobicContact CB-CB 4.29Å; D1923-R1958 WeakPolarHBondContact OD1-CD 3.43Å; D1923-R1958 IonicContact OD1-CZ 3.95Å; D1923-R1958 IonicContact OD1-NE 3.61Å; D1923-R1958 IonicContact OD1-NH1 3.93Å; D1923-R1958 PolarHBondContact OD1-NH1 3.46Å; D1923-R1958 IonicContact OD2-NH1 3.11Å; L1941-R1958 VanDerWaalsContact CD1-CZ 3.49Å; A1954-R1958 WeakPolarHBondContact O-CB 3.13Å; A1954-R1958 PolarHBondContact O-N 2.84Å; V1955-R1958 PolarHBondContact O-N 2.96Å; F1956-R1958 PolarHBondContact O-N 3.16Å; R1958-S1961 PolarHBondContact O-N 3.15Å; R1958-L1962 HydrophobicContact CG-CD1 3.87Å; R1958-L1962 HydrophobicContact CG-CG 4.49Å; R1958-L1962 VanDerWaalsContact O-CB 3.31Å; R1958-L1962 WeakPolarHBondContact O-CB 3.44Å; R1958-L1962 WeakPolarHBondContact O-CG 3.18Å; R1958-L1962 PolarHBondContact O-N 2.98Å |
| 1959 | D | 62.3 | Low | 53 | Low | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -46.8 | -179.6 | -88.2 | -6.4 | 0 | 0 | 0 | 112.1 | I1943 V1955 F1956 S1961 L1962 Q1963 | I1943-D1959 WeakPolarHBondContact CD1-OD2 3.46Å; V1955-D1959 WeakPolarHBondContact O-CB 3.33Å; V1955-D1959 PolarHBondContact O-N 2.87Å; F1956-D1959 PolarHBondContact O-N 2.92Å; D1959-S1961 VanDerWaalsContact C-N 3.31Å; D1959-S1961 PolarHBondContact O-N 3.31Å; D1959-L1962 PolarHBondContact O-N 2.89Å; D1959-Q1963 WeakPolarHBondContact O-CB 3.35Å; D1959-Q1963 VanDerWaalsContact O-CG 3.3Å; D1959-Q1963 WeakPolarHBondContact O-CG 3.45Å; D1959-Q1963 PolarHBondContact O-N 3.13Å |
| 1960 | Y | 54 | Low | 53.1 | Low | 65 Ų | 65 | 55.8 Ų | 55.8 | 26% | 0.255 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 175.8 | -87 | -87.6 | 0 | 0 | 0 | 111.2 | D1894 F1897 F1956 Q1963 L1964 | D1894-Y1960 VanDerWaalsContact OD1-CZ 3.31Å; D1894-Y1960 PolarHBondContact OD1-OH 2.78Å; F1897-Y1960 AromaticContact CD1-CD1 3.75Å; F1897-Y1960 HydrophobicContact CD1-CD1 3.75Å; F1897-Y1960 HydrophobicContact CD1-CE1 4.03Å; F1897-Y1960 AromaticContact CD2-CD1 3.94Å; F1897-Y1960 HydrophobicContact CD2-CD1 3.94Å; F1897-Y1960 AromaticContact CE1-CD1 3.63Å; F1897-Y1960 HydrophobicContact CE1-CD1 3.63Å; F1897-Y1960 HydrophobicContact CE1-CE1 4.19Å; F1897-Y1960 AromaticContact CE2-CD1 3.82Å; F1897-Y1960 HydrophobicContact CE2-CD1 3.82Å; F1897-Y1960 HydrophobicContact CE2-CG 4.33Å; F1897-Y1960 AromaticContact CG-CD1 3.91Å; F1897-Y1960 HydrophobicContact CG-CD1 3.91Å; F1897-Y1960 HydrophobicContact CG-CE1 4.35Å; F1897-Y1960 AromaticContact CZ-CD1 3.67Å; F1897-Y1960 HydrophobicContact CZ-CD1 3.67Å; F1897-Y1960 HydrophobicContact CZ-CG 4.42Å; F1897-Y1960 WeakPolarHBondContact CZ-O 3.36Å; F1956-Y1960 HydrophobicContact CD1-CD2 4.26Å; F1956-Y1960 AromaticContact CD1-CE2 3.91Å; F1956-Y1960 HydrophobicContact CD1-CE2 3.91Å; F1956-Y1960 WeakPolarHBondContact O-CB 3.45Å; F1956-Y1960 WeakPolarHBondContact O-CD2 3.34Å; F1956-Y1960 PolarHBondContact O-N 3.36Å; Y1960-Q1963 PolarHBondContact O-N 2.63Å; Y1960-L1964 WeakPolarHBondContact O-CB 3.15Å; Y1960-L1964 PolarHBondContact O-N 3.03Å |
| 1961 | S | 57 | Low | 53.6 | Low | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 176 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | T1915 T1957 R1958 D1959 L1964 I1965 | T1915-S1961 WeakPolarHBondContact CG2-O 3.46Å; T1957-S1961 WeakPolarHBondContact O-CB 3.4Å; T1957-S1961 PolarHBondContact O-N 2.84Å; T1957-S1961 PolarHBondContact O-OG 2.88Å; R1958-S1961 PolarHBondContact O-N 3.15Å; D1959-S1961 VanDerWaalsContact C-N 3.31Å; D1959-S1961 PolarHBondContact O-N 3.31Å; S1961-L1964 WeakPolarHBondContact O-CB 3.48Å; S1961-L1964 PolarHBondContact O-N 2.95Å; S1961-I1965 WeakPolarHBondContact O-CG1 3.42Å; S1961-I1965 PolarHBondContact O-N 3.25Å |
| 1962 | L | 60.8 | Low | 54 | Low | 60 Ų | 60 | 51.1 Ų | 51.1 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 173.6 | -86.3 | 166.1 | 0 | 0 | 0 | 111.7 | I1919 R1958 D1959 L1964 I1965 N1966 | I1919-L1962 HydrophobicContact CD1-CD2 4.39Å; I1919-L1962 HydrophobicContact CD1-CG 4.21Å; R1958-L1962 HydrophobicContact CG-CD1 3.87Å; R1958-L1962 HydrophobicContact CG-CG 4.49Å; R1958-L1962 VanDerWaalsContact O-CB 3.31Å; R1958-L1962 WeakPolarHBondContact O-CB 3.44Å; R1958-L1962 WeakPolarHBondContact O-CG 3.18Å; R1958-L1962 PolarHBondContact O-N 2.98Å; D1959-L1962 PolarHBondContact O-N 2.89Å; L1962-L1964 VanDerWaalsContact C-N 3.29Å; L1962-L1964 PolarHBondContact O-N 3.46Å; L1962-I1965 PolarHBondContact O-N 3.15Å; L1962-N1966 VanDerWaalsContact O-CB 3.28Å; L1962-N1966 WeakPolarHBondContact O-CB 3.48Å; L1962-N1966 PolarHBondContact O-N 3.09Å; L1962-N1966 PolarHBondContact O-ND2 2.99Å |
| 1963 | Q | 58.9 | Low | 54.2 | Low | 109 Ų | 109 | 52.8 Ų | 52.8 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 173.4 | -77.6 | -177.9 | 16.4 | 0 | 0 | 111 | D1959 Y1960 N1966 S1967 | D1959-Q1963 WeakPolarHBondContact O-CB 3.35Å; D1959-Q1963 VanDerWaalsContact O-CG 3.3Å; D1959-Q1963 WeakPolarHBondContact O-CG 3.45Å; D1959-Q1963 PolarHBondContact O-N 3.13Å; Y1960-Q1963 PolarHBondContact O-N 2.63Å; Q1963-N1966 PolarHBondContact O-N 3.15Å; Q1963-S1967 VanDerWaalsContact O-CB 3.31Å; Q1963-S1967 WeakPolarHBondContact O-CB 3.48Å; Q1963-S1967 PolarHBondContact O-N 3.36Å; Q1963-S1967 PolarHBondContact O-OG 2.97Å |
| 1964 | L | 51 | Low | 54.5 | Low | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 175.3 | -168.1 | 65.8 | 0 | 0 | 0 | 110.7 | F1897 L1911 T1915 Y1960 S1961 L1962 N1966 S1967 L1968 | F1897-L1964 HydrophobicContact CE2-CB 4.24Å; F1897-L1964 HydrophobicContact CE2-CD2 4.29Å; F1897-L1964 HydrophobicContact CZ-CB 4.07Å; F1897-L1964 HydrophobicContact CZ-CD1 4.28Å; L1911-L1964 HydrophobicContact CD2-CD1 4.07Å; L1911-L1964 HydrophobicContact CD2-CD2 3.53Å; L1911-L1964 HydrophobicContact CD2-CG 3.87Å; T1915-L1964 HydrophobicContact CG2-CB 4.08Å; T1915-L1964 HydrophobicContact CG2-CD2 3.9Å; T1915-L1964 HydrophobicContact CG2-CG 4.32Å; T1915-L1964 WeakPolarHBondContact OG1-CD2 3.37Å; Y1960-L1964 WeakPolarHBondContact O-CB 3.15Å; Y1960-L1964 PolarHBondContact O-N 3.03Å; S1961-L1964 WeakPolarHBondContact O-CB 3.48Å; S1961-L1964 PolarHBondContact O-N 2.95Å; L1962-L1964 VanDerWaalsContact C-N 3.29Å; L1962-L1964 PolarHBondContact O-N 3.46Å; L1964-N1966 VanDerWaalsContact C-N 3.34Å; L1964-N1966 PolarHBondContact O-N 2.9Å; L1964-S1967 PolarHBondContact O-N 2.65Å; L1964-S1967 PolarHBondContact O-OG 3.15Å; L1964-L1968 HydrophobicContact CG-CD1 4.16Å; L1964-L1968 WeakPolarHBondContact O-CB 3.2Å; L1964-L1968 WeakPolarHBondContact O-CG 2.92Å; L1964-L1968 PolarHBondContact O-N 3.09Å |
| 1965 | I | 56.1 | Low | 54.7 | Low | 13 Ų | 13 | 55.3 Ų | 55.3 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 174.4 | -70.8 | -174.1 | 0 | 0 | 0 | 111.4 | L1912 T1915 L1916 I1919 S1961 L1962 S1967 L1968 K1969 | L1912-I1965 HydrophobicContact CD2-CG1 4.22Å; L1912-I1965 HydrophobicContact CD2-CG2 4.24Å; T1915-I1965 HydrophobicContact CG2-CD1 4.16Å; T1915-I1965 HydrophobicContact CG2-CG1 3.61Å; L1916-I1965 HydrophobicContact CG-CD1 4.21Å; I1919-I1965 HydrophobicContact CD1-CD1 3.27Å; I1919-I1965 HydrophobicContact CD1-CG1 4.19Å; S1961-I1965 WeakPolarHBondContact O-CG1 3.42Å; S1961-I1965 PolarHBondContact O-N 3.25Å; L1962-I1965 PolarHBondContact O-N 3.15Å; I1965-S1967 VanDerWaalsContact C-N 3.35Å; I1965-L1968 CarbonylContact O-C 3.49Å; I1965-L1968 PolarHBondContact O-N 2.98Å; I1965-K1969 HydrophobicContact CG2-CD 4.04Å; I1965-K1969 HydrophobicContact CG2-CG 4.26Å; I1965-K1969 WeakPolarHBondContact O-CB 3.38Å; I1965-K1969 WeakPolarHBondContact O-CG 3.29Å; I1965-K1969 PolarHBondContact O-N 3.26Å |
| 1966 | N | 59.3 | Low | 54.4 | Low | 95 Ų | 95 | 58.5 Ų | 58.5 | 51% | 0.508 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 180 | -74 | -18.6 | 0 | 0 | 0 | 110.7 | L1962 Q1963 L1964 L1968 K1969 S1970 | L1962-N1966 VanDerWaalsContact O-CB 3.28Å; L1962-N1966 WeakPolarHBondContact O-CB 3.48Å; L1962-N1966 PolarHBondContact O-N 3.09Å; L1962-N1966 PolarHBondContact O-ND2 2.99Å; Q1963-N1966 PolarHBondContact O-N 3.15Å; L1964-N1966 VanDerWaalsContact C-N 3.34Å; L1964-N1966 PolarHBondContact O-N 2.9Å; N1966-L1968 VanDerWaalsContact C-N 3.3Å; N1966-L1968 PolarHBondContact O-N 3.12Å; N1966-K1969 PolarHBondContact O-N 3.2Å; N1966-S1970 PolarHBondContact O-N 3.13Å; N1966-S1970 PolarHBondContact O-OG 3.07Å |
| 1967 | S | 49.3 | Very low | 54.4 | Low | 34 Ų | 34 | 58.7 Ų | 58.7 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.4 | -30.3 | 174.8 | 84 | 0 | 0 | 0 | 0 | 113.1 | Q1963 L1964 I1965 S1970 | Q1963-S1967 VanDerWaalsContact O-CB 3.31Å; Q1963-S1967 WeakPolarHBondContact O-CB 3.48Å; Q1963-S1967 PolarHBondContact O-N 3.36Å; Q1963-S1967 PolarHBondContact O-OG 2.97Å; L1964-S1967 PolarHBondContact O-N 2.65Å; L1964-S1967 PolarHBondContact O-OG 3.15Å; I1965-S1967 VanDerWaalsContact C-N 3.35Å; S1967-S1970 WeakPolarHBondContact CA-OG 3.34Å; S1967-S1970 PolarHBondContact O-OG 3.08Å |
| 1968 | L | 49.3 | Very low | 54.4 | Low | 25 Ų | 25 | 61.8 Ų | 61.8 | 13% | 0.131 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -81.3 | -23.1 | 174 | -70.6 | 168.8 | 0 | 0 | 0 | 112.5 | K1908 L1911 L1912 L1964 I1965 N1966 | K1908-L1968 VanDerWaalsContact CD-O 3.22Å; K1908-L1968 WeakPolarHBondContact CD-O 3.46Å; K1908-L1968 WeakPolarHBondContact CE-O 3.42Å; K1908-L1968 HydrophobicContact CG-CD2 4.42Å; K1908-L1968 PolarHBondContact NZ-O 3.25Å; L1911-L1968 HydrophobicContact CB-CD1 3.87Å; L1911-L1968 HydrophobicContact CB-CD2 4.35Å; L1911-L1968 HydrophobicContact CD1-CD2 4.28Å; L1911-L1968 HydrophobicContact CD2-CD1 3.81Å; L1911-L1968 HydrophobicContact CG-CD1 4.31Å; L1912-L1968 HydrophobicContact CG-CD1 4.37Å; L1964-L1968 HydrophobicContact CG-CD1 4.16Å; L1964-L1968 WeakPolarHBondContact O-CB 3.2Å; L1964-L1968 WeakPolarHBondContact O-CG 2.92Å; L1964-L1968 PolarHBondContact O-N 3.09Å; I1965-L1968 CarbonylContact O-C 3.49Å; I1965-L1968 PolarHBondContact O-N 2.98Å; N1966-L1968 VanDerWaalsContact C-N 3.3Å; N1966-L1968 PolarHBondContact O-N 3.12Å |
| 1969 | K | 52.1 | Low | 54.2 | Low | 155 Ų | 155 | 62.7 Ų | 62.7 | 67% | 0.674 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -78.8 | -40.5 | 173.6 | -83.3 | -177.3 | 177.9 | 179.2 | 0 | 110.9 | I1965 N1966 | I1965-K1969 HydrophobicContact CG2-CD 4.04Å; I1965-K1969 HydrophobicContact CG2-CG 4.26Å; I1965-K1969 WeakPolarHBondContact O-CB 3.38Å; I1965-K1969 WeakPolarHBondContact O-CG 3.29Å; I1965-K1969 PolarHBondContact O-N 3.26Å; N1966-K1969 PolarHBondContact O-N 3.2Å |
| 1970 | S | 40.5 | Very low | 53.5 | Low | 123 Ų | 123 | 63.9 Ų | 63.9 | 86% | 0.86 | 34% | 0.336 | S | S | * | . | trans | -59.1 | 0 | 163.1 | 63 | 0 | 0 | 0 | 0 | 111.1 | K1908 N1966 S1967 | K1908-S1970 PolarHBondContact NZ-OXT 3.19Å; N1966-S1970 PolarHBondContact O-N 3.13Å; N1966-S1970 PolarHBondContact O-OG 3.07Å; S1967-S1970 WeakPolarHBondContact CA-OG 3.34Å; S1967-S1970 PolarHBondContact O-OG 3.08Å |
Retrieved 1,970 of 1,970 residues in 3113.6 ms
(Link to these results)