| 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 | Q | 36.5 | Very low | 46.9 | Very low | 231 Ų | 231 | 122.6 Ų | 122.6 | 100% | 1.079 | 68% | 0.676 | S | S | * | * | 0 | 107.5 | 0 | -79.6 | 174 | -5.1 | 0 | 0 | 107.2 | |||||
| 2 | L | 43.9 | Very low | 48.2 | Very low | 157 Ų | 157 | 119.7 Ų | 119.7 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | 90.1 | 88.1 | 115.3 | -70 | 169.9 | 0 | 0 | 0 | 112.7 | |||||
| 3 | A | 33.2 | Very low | 49.9 | Very low | 96 Ų | 96 | 113.4 Ų | 113.4 | 79% | 0.793 | 62% | 0.621 | S | S | * | * | trans | -136.3 | 51.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | V5 | A3-V5 PolarHBondContact O-N 2.99Š| ||
| 4 | V | 40.3 | Very low | 51.1 | Low | 119 Ų | 119 | 106.1 Ų | 106.1 | 72% | 0.721 | 58% | 0.581 | S | S | * | * | trans | -73.7 | 85.6 | 152 | -178.9 | 0 | 0 | 0 | 0 | 103.8 | M6 | V4-M6 VanDerWaalsContact C-N 3.34Å; V4-M6 PolarHBondContact O-N 3.34Å | ||
| 5 | V | 42.9 | Very low | 52 | Low | 113 Ų | 113 | 104.8 Ų | 104.8 | 69% | 0.685 | 57% | 0.572 | S | S | * | * | trans | -50.2 | 111.9 | 155.1 | 175.6 | 0 | 0 | 0 | 0 | 103.7 | A3 L7 | A3-V5 PolarHBondContact O-N 2.99Å; V5-L7 PolarHBondContact O-N 3.42Å | ||
| 6 | M | 43.9 | Very low | 53 | Low | 177 Ų | 177 | 103 Ų | 103 | 87% | 0.872 | 56% | 0.561 | S | S | * | * | trans | -64.7 | 84.9 | 178.1 | -76.9 | 179 | 120.4 | 0 | 0 | 106.9 | V4 | V4-M6 VanDerWaalsContact C-N 3.34Å; V4-M6 PolarHBondContact O-N 3.34Å | ||
| 7 | L | 43.8 | Very low | 53.9 | Low | 71 Ų | 71 | 97 Ų | 97 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | trans | -55.1 | 139.8 | 159 | -61.2 | 170.9 | 0 | 0 | 0 | 105.8 | V5 V9 E11 L15 | V5-L7 PolarHBondContact O-N 3.42Å; L7-V9 PolarHBondContact O-N 2.95Å; L7-E11 HydrophobicContact CB-CB 3.8Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.47Å; L7-L15 HydrophobicContact CD1-CD1 3.28Å | ||
| 8 | P | 58.4 | Low | 54.8 | Low | 69 Ų | 69 | 96.3 Ų | 96.3 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | trans | -45.3 | 144.7 | 172.1 | -24 | 32 | 0 | 0 | 0 | 109.5 | E10 E11 N12 | P8-E10 WeakPolarHBondContact CB-OE2 3.43Å; P8-E10 CarbonylContact O-C 3.57Å; P8-E10 PolarHBondContact O-N 3.18Å; P8-E11 WeakPolarHBondContact CD-OE2 3.46Å; P8-E11 PolarHBondContact O-N 3.43Å; P8-N12 PolarHBondContact O-N 3.06Å | ||
| 9 | V | 56.9 | Low | 55.3 | Low | 123 Ų | 123 | 101.6 Ų | 101.6 | 75% | 0.745 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -49.4 | -30.9 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | L7 N12 F13 | L7-V9 PolarHBondContact O-N 2.95Å; V9-N12 PolarHBondContact O-N 3.12Å; V9-F13 PolarHBondContact O-N 3.42Å; V9-F13 VanDerWaalsContact O-N 3.11Å |
| 10 | E | 56.8 | Low | 55.8 | Low | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 174.2 | -61.5 | 91.8 | -179.8 | 0 | 0 | 114.9 | P8 N12 F13 L14 M79 | P8-E10 WeakPolarHBondContact CB-OE2 3.43Å; P8-E10 CarbonylContact O-C 3.57Å; P8-E10 PolarHBondContact O-N 3.18Å; E10-N12 VanDerWaalsContact C-N 3.31Å; E10-N12 PolarHBondContact O-N 3.01Å; E10-F13 WeakPolarHBondContact O-CB 3.45Å; E10-F13 PolarHBondContact O-N 3.39Å; E10-L14 PolarHBondContact O-N 2.65Å; E10-L14 VanDerWaalsContact O-N 3.16Å; E10-M79 HydrophobicContact CB-CE 3.23Å; E10-M79 HydrophobicContact CB-CG 4.1Å; E10-M79 HydrophobicContact CB-SD 4.23Å; E10-M79 HydrophobicContact CG-CE 3.58Å; E10-M79 HydrophobicContact CG-CG 3.99Å; E10-M79 WeakPolarHBondContact O-CE 3.49Å |
| 11 | E | 59.2 | Low | 56.2 | Low | 93 Ų | 93 | 95.3 Ų | 95.3 | 44% | 0.435 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.4 | -31 | 178.6 | -78.8 | -174.2 | 168.2 | 0 | 0 | 112 | L7 P8 L14 L15 | L7-E11 HydrophobicContact CB-CB 3.8Å; L7-E11 WeakPolarHBondContact CD2-OE2 3.47Å; P8-E11 WeakPolarHBondContact CD-OE2 3.46Å; P8-E11 PolarHBondContact O-N 3.43Å; E11-L14 PolarHBondContact O-N 3.13Å; E11-L15 WeakPolarHBondContact O-CB 3.44Å; E11-L15 PolarHBondContact O-N 2.58Å |
| 12 | N | 62.8 | Low | 57.4 | Low | 87 Ų | 87 | 87.7 Ų | 87.7 | 47% | 0.465 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 174.6 | -160.8 | 45.5 | 0 | 0 | 0 | 112 | P8 V9 E10 L15 L16 | P8-N12 PolarHBondContact O-N 3.06Å; V9-N12 PolarHBondContact O-N 3.12Å; E10-N12 VanDerWaalsContact C-N 3.31Å; E10-N12 PolarHBondContact O-N 3.01Å; N12-L15 PolarHBondContact O-N 3.41Å; N12-L16 WeakPolarHBondContact O-CG 3.41Å; N12-L16 PolarHBondContact O-N 2.92Å |
| 13 | F | 69.8 | Low | 58.2 | Low | 38 Ų | 38 | 81 Ų | 81 | 17% | 0.167 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 172.4 | 166.5 | -88.7 | 0 | 0 | 0 | 111.8 | V9 E10 L15 L16 F17 Y72 T75 M76 M79 | V9-F13 PolarHBondContact O-N 3.42Å; V9-F13 VanDerWaalsContact O-N 3.11Å; E10-F13 WeakPolarHBondContact O-CB 3.45Å; E10-F13 PolarHBondContact O-N 3.39Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 2.87Å; F13-L16 PolarHBondContact O-N 2.96Å; F13-F17 WeakPolarHBondContact O-CB 3.48Å; F13-F17 PolarHBondContact O-N 3.11Å; F13-Y72 HydrophobicContact CD2-CD1 4.32Å; F13-Y72 HydrophobicContact CD2-CE1 4.14Å; F13-Y72 HydrophobicContact CE1-CD1 4.23Å; F13-Y72 AromaticContact CE2-CD1 3.17Å; F13-Y72 HydrophobicContact CE2-CD1 3.17Å; F13-Y72 AromaticContact CE2-CE1 3.35Å; F13-Y72 HydrophobicContact CE2-CE1 3.35Å; F13-Y72 HydrophobicContact CE2-CG 4.1Å; F13-Y72 AromaticContact CZ-CD1 3.14Å; F13-Y72 HydrophobicContact CZ-CD1 3.14Å; F13-Y72 AromaticContact CZ-CE1 3.77Å; F13-Y72 HydrophobicContact CZ-CE1 3.77Å; F13-Y72 HydrophobicContact CZ-CG 4.03Å; F13-T75 HydrophobicContact CD1-CG2 3.84Å; F13-T75 HydrophobicContact CD2-CG2 4.13Å; F13-T75 HydrophobicContact CE1-CG2 3.73Å; F13-T75 HydrophobicContact CE2-CG2 3.99Å; F13-T75 HydrophobicContact CG-CG2 4.02Å; F13-T75 HydrophobicContact CZ-CG2 3.75Å; F13-M76 HydrophobicContact CE1-CE 4.07Å; F13-M76 HydrophobicContact CE1-CG 4.02Å; F13-M76 HydrophobicContact CZ-CE 4.3Å; F13-M76 HydrophobicContact CZ-CG 4.44Å; F13-M79 HydrophobicContact CB-CE 4.25Å; F13-M79 HydrophobicContact CD1-CE 3.76Å; F13-M79 HydrophobicContact CD1-SD 4.3Å; F13-M79 HydrophobicContact CE1-CE 4.41Å; F13-M79 HydrophobicContact CG-CE 4.26Å |
| 14 | L | 67.1 | Low | 59.3 | Low | 12 Ų | 12 | 83.4 Ų | 83.4 | 6% | 0.063 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 177.4 | -72.9 | 169.9 | 0 | 0 | 0 | 111.9 | E10 E11 F17 R18 M79 F80 I96 | E10-L14 PolarHBondContact O-N 2.65Å; E10-L14 VanDerWaalsContact O-N 3.16Å; E11-L14 PolarHBondContact O-N 3.13Å; L14-F17 PolarHBondContact O-N 2.81Å; L14-R18 VanDerWaalsContact O-CB 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.28Å; L14-R18 VanDerWaalsContact O-CD 3.23Å; L14-R18 WeakPolarHBondContact O-CD 3.26Å; L14-R18 WeakPolarHBondContact O-CG 3.4Å; L14-R18 PolarHBondContact O-N 2.97Å; L14-M79 HydrophobicContact CD1-SD 4.44Å; L14-M79 HydrophobicContact CG-SD 4.39Å; L14-F80 HydrophobicContact CD1-CE2 3.81Å; L14-F80 HydrophobicContact CD1-CZ 3.61Å; L14-F80 HydrophobicContact CD2-CE2 3.96Å; L14-F80 HydrophobicContact CD2-CZ 4.23Å; L14-F80 HydrophobicContact CG-CE2 4.42Å; L14-I96 HydrophobicContact CD2-CG2 4.37Å |
| 15 | L | 65.1 | Low | 60.4 | Low | 86 Ų | 86 | 79.5 Ų | 79.5 | 45% | 0.45 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.5 | -102.3 | 148.5 | 0 | 0 | 0 | 112.4 | L7 E11 N12 F13 R19 | L7-L15 HydrophobicContact CD1-CD1 3.28Å; E11-L15 WeakPolarHBondContact O-CB 3.44Å; E11-L15 PolarHBondContact O-N 2.58Å; N12-L15 PolarHBondContact O-N 3.41Å; F13-L15 VanDerWaalsContact C-N 3.33Å; F13-L15 PolarHBondContact O-N 2.87Å; L15-R19 WeakPolarHBondContact O-CB 3.36Å; L15-R19 PolarHBondContact O-N 3.03Å |
| 16 | L | 67.5 | Low | 61.5 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 40% | 0.398 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 176 | -72 | 169.2 | 0 | 0 | 0 | 111.4 | N12 F13 R19 E20 | N12-L16 WeakPolarHBondContact O-CG 3.41Å; N12-L16 PolarHBondContact O-N 2.92Å; F13-L16 PolarHBondContact O-N 2.96Å; L16-R19 PolarHBondContact O-N 3.42Å; L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 WeakPolarHBondContact O-CG 2.98Å; L16-E20 PolarHBondContact O-N 3.3Å |
| 17 | F | 69 | Low | 62.6 | Low | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -50.7 | 177.2 | 177.9 | -100.7 | 0 | 0 | 0 | 111.6 | F13 L14 R19 E20 T21 L53 L56 F57 Y72 M76 I96 L97 | F13-F17 WeakPolarHBondContact O-CB 3.48Å; F13-F17 PolarHBondContact O-N 3.11Å; L14-F17 PolarHBondContact O-N 2.81Å; F17-R19 VanDerWaalsContact C-N 3.3Å; F17-R19 PolarHBondContact O-N 3.3Å; F17-E20 CarbonylContact O-C 3.56Å; F17-E20 WeakPolarHBondContact O-CA 3.47Å; F17-E20 WeakPolarHBondContact O-CB 3.39Å; F17-E20 PolarHBondContact O-N 3.17Å; F17-T21 WeakPolarHBondContact CZ-OG1 3.36Å; F17-T21 PolarHBondContact O-N 3.47Å; F17-T21 PolarHBondContact O-OG1 3.12Å; F17-T21 VanDerWaalsContact O-OG1 3.09Å; F17-L53 HydrophobicContact CE2-CD2 3.73Å; F17-L53 HydrophobicContact CZ-CD2 3.56Å; F17-L56 HydrophobicContact CZ-CD2 3.76Å; F17-F57 HydrophobicContact CD2-CZ 4.02Å; F17-F57 AromaticContact CE2-CE2 3.98Å; F17-F57 HydrophobicContact CE2-CE2 3.98Å; F17-F57 AromaticContact CE2-CZ 3.68Å; F17-F57 HydrophobicContact CE2-CZ 3.68Å; F17-Y72 HydrophobicContact CD2-CD1 4.08Å; F17-Y72 HydrophobicContact CD2-CE1 4.21Å; F17-M76 HydrophobicContact CD1-CE 3.79Å; F17-M76 HydrophobicContact CD2-CE 3.74Å; F17-M76 HydrophobicContact CE1-CE 3.67Å; F17-M76 HydrophobicContact CE2-CE 3.63Å; F17-M76 HydrophobicContact CG-CE 3.82Å; F17-M76 HydrophobicContact CZ-CE 3.6Å; F17-I96 HydrophobicContact CE1-CG2 4.25Å; F17-L97 HydrophobicContact CE1-CD2 3.78Å; F17-L97 HydrophobicContact CZ-CD2 4.23Å |
| 18 | R | 69.5 | Low | 64 | Low | 85 Ų | 85 | 66.2 Ų | 66.2 | 32% | 0.321 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 177.1 | -69.4 | 161.1 | -173.4 | -180 | -2.2 | 112.8 | L14 E20 T21 R95 I96 A98 | L14-R18 VanDerWaalsContact O-CB 3.28Å; L14-R18 WeakPolarHBondContact O-CB 3.28Å; L14-R18 VanDerWaalsContact O-CD 3.23Å; L14-R18 WeakPolarHBondContact O-CD 3.26Å; L14-R18 WeakPolarHBondContact O-CG 3.4Å; L14-R18 PolarHBondContact O-N 2.97Å; R18-E20 PolarHBondContact O-N 3.33Å; R18-T21 CarbonylContact O-C 3.54Å; R18-R95 PolarHBondContact NH2-O 3.49Å; R18-I96 PolarHBondContact NE-O 2.77Å; R18-A98 HydrophobicContact CG-CB 4.14Å |
| 19 | R | 64.9 | Low | 64.8 | Low | 197 Ų | 197 | 63 Ų | 63 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.6 | -27.3 | 174.5 | -163.6 | 178 | 79.9 | 165.5 | 4.6 | 112 | L15 L16 F17 | L15-R19 WeakPolarHBondContact O-CB 3.36Å; L15-R19 PolarHBondContact O-N 3.03Å; L16-R19 PolarHBondContact O-N 3.42Å; F17-R19 VanDerWaalsContact C-N 3.3Å; F17-R19 PolarHBondContact O-N 3.3Å |
| 20 | E | 64.4 | Low | 65.7 | Low | 69 Ų | 69 | 57.1 Ų | 57.1 | 32% | 0.322 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -90.5 | -26.3 | -177.7 | -76 | -171.4 | -173.1 | 0 | 0 | 114.1 | L16 F17 R18 K62 | L16-E20 WeakPolarHBondContact O-CB 3.5Å; L16-E20 WeakPolarHBondContact O-CG 2.98Å; L16-E20 PolarHBondContact O-N 3.3Å; F17-E20 CarbonylContact O-C 3.56Å; F17-E20 WeakPolarHBondContact O-CA 3.47Å; F17-E20 WeakPolarHBondContact O-CB 3.39Å; F17-E20 PolarHBondContact O-N 3.17Å; R18-E20 PolarHBondContact O-N 3.33Å; E20-K62 VanDerWaalsContact CB-NZ 3.33Å; E20-K62 PolarHBondContact O-NZ 2.98Å |
| 21 | T | 63.3 | Low | 66.6 | Low | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -136.4 | 71.8 | -179.6 | 58.3 | 0 | 0 | 0 | 0 | 110.9 | F17 R18 L23 L56 F57 | F17-T21 WeakPolarHBondContact CZ-OG1 3.36Å; F17-T21 PolarHBondContact O-N 3.47Å; F17-T21 PolarHBondContact O-OG1 3.12Å; F17-T21 VanDerWaalsContact O-OG1 3.09Å; R18-T21 CarbonylContact O-C 3.54Å; T21-L23 PolarHBondContact O-N 3.47Å; T21-L56 HydrophobicContact CG2-CD2 4.29Å; T21-L56 HydrophobicContact CG2-CG 4.36Å; T21-F57 HydrophobicContact CG2-CD1 3.85Å; T21-F57 HydrophobicContact CG2-CE1 3.62Å; T21-F57 HydrophobicContact CG2-CZ 4.19Å |
| 22 | P | 61.8 | Low | 67.4 | Low | 71 Ų | 71 | 53 Ų | 53 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | trans | -68.8 | 123.7 | 176.6 | 27.9 | -32.5 | 0 | 0 | 0 | 110 | H60 | P22-H60 PolarHBondContact O-CE1 3.36Å; P22-H60 VanDerWaalsContact O-CE1 3.31Å | ||
| 23 | L | 62 | Low | 68.1 | Low | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | trans | -102.9 | 113.3 | 167.4 | -79.3 | 163.5 | 0 | 0 | 0 | 108.2 | T21 E28 I32 L56 L97 | T21-L23 PolarHBondContact O-N 3.47Å; L23-E28 HydrophobicContact CD2-CB 4.36Å; L23-E28 HydrophobicContact CD2-CG 3.85Å; L23-I32 HydrophobicContact CD2-CD1 4.44Å; L23-L56 HydrophobicContact CD1-CD1 3.96Å; L23-L56 HydrophobicContact CD2-CD1 3.98Å; L23-L56 HydrophobicContact CG-CD1 4.07Å; L23-L97 HydrophobicContact CD1-CB 4.07Å; L23-L97 HydrophobicContact CD1-CD1 3.71Å; L23-L97 HydrophobicContact CD1-CD2 3.64Å; L23-L97 HydrophobicContact CD1-CG 3.98Å | ||
| 24 | D | 55.8 | Low | 68.6 | Low | 147 Ų | 147 | 48.8 Ų | 48.8 | 79% | 0.786 | 23% | 0.229 | S | C | * | . | trans | -86.8 | -12.4 | -171.3 | -81.8 | -21.6 | 0 | 0 | 0 | 113.9 | ||||
| 25 | N | 62.5 | Low | 69.2 | Low | 37 Ų | 37 | 53.5 Ų | 53.5 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | trans | -149.9 | 156.1 | 179.6 | 77.1 | 59.4 | 0 | 0 | 0 | 114.7 | V27 E28 F29 | N25-V27 VanDerWaalsContact C-N 3.32Å; N25-V27 PolarHBondContact O-N 3.11Å; N25-V27 WeakPolarHBondContact OD1-CA 3.44Å; N25-V27 VanDerWaalsContact OD1-CB 3.26Å; N25-V27 WeakPolarHBondContact OD1-CB 3.39Å; N25-V27 PolarHBondContact OD1-N 2.93Å; N25-E28 PolarHBondContact OD1-N 3.33Å; N25-F29 PolarHBondContact O-N 3.18Å | ||
| 26 | S | 66.2 | Low | 69.9 | Low | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.8 | -22.6 | 179.8 | 50 | 0 | 0 | 0 | 0 | 113.9 | M30 | S26-M30 WeakPolarHBondContact O-CB 3.45Å; S26-M30 WeakPolarHBondContact O-CG 3.42Å; S26-M30 PolarHBondContact O-N 3.07Å |
| 27 | V | 68.4 | Low | 70.4 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.1 | -43.3 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | N25 M30 R31 Y128 V130 E140 | N25-V27 VanDerWaalsContact C-N 3.32Å; N25-V27 PolarHBondContact O-N 3.11Å; N25-V27 WeakPolarHBondContact OD1-CA 3.44Å; N25-V27 VanDerWaalsContact OD1-CB 3.26Å; N25-V27 WeakPolarHBondContact OD1-CB 3.39Å; N25-V27 PolarHBondContact OD1-N 2.93Å; V27-M30 PolarHBondContact O-N 2.8Å; V27-R31 WeakPolarHBondContact O-CB 3.13Å; V27-R31 PolarHBondContact O-N 2.77Å; V27-Y128 HydrophobicContact CG2-CD1 3.55Å; V27-Y128 HydrophobicContact CG2-CE1 4.19Å; V27-V130 HydrophobicContact CB-CG2 4.25Å; V27-V130 HydrophobicContact CG1-CG2 4.05Å; V27-V130 HydrophobicContact CG2-CG2 4.31Å; V27-E140 HydrophobicContact CG1-CG 4.06Å |
| 28 | E | 73.1 | Confident | 70.3 | Confident | 62 Ų | 62 | 52.8 Ų | 52.8 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 178.7 | -173 | 151.7 | -142.4 | 0 | 0 | 110.9 | L23 N25 R31 I32 | L23-E28 HydrophobicContact CD2-CB 4.36Å; L23-E28 HydrophobicContact CD2-CG 3.85Å; N25-E28 PolarHBondContact OD1-N 3.33Å; E28-R31 PolarHBondContact O-N 3Å; E28-R31 IonicContact OE1-NH2 2.64Å; E28-R31 PolarHBondContact OE1-NH2 3.4Å; E28-I32 HydrophobicContact CG-CD1 4.38Å; E28-I32 WeakPolarHBondContact O-CG1 3.34Å; E28-I32 PolarHBondContact O-N 3.14Å; E28-I32 VanDerWaalsContact O-N 3.12Å |
| 29 | F | 75.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.8 | -52 | 168.8 | 169.3 | -107.8 | 0 | 0 | 0 | 112.1 | N25 R31 I32 W33 L90 M93 A94 L97 L99 K146 | N25-F29 PolarHBondContact O-N 3.18Å; F29-R31 VanDerWaalsContact C-N 3.28Å; F29-R31 PolarHBondContact O-N 2.84Å; F29-I32 PolarHBondContact O-N 2.71Å; F29-W33 HydrophobicContact CE2-CE3 4.36Å; F29-W33 AromaticContact CZ-CE3 3.97Å; F29-W33 HydrophobicContact CZ-CE3 3.97Å; F29-W33 VanDerWaalsContact O-CB 3.31Å; F29-W33 WeakPolarHBondContact O-CB 3.47Å; F29-W33 PolarHBondContact O-N 3.45Å; F29-L90 HydrophobicContact CE1-CD1 3.65Å; F29-L90 HydrophobicContact CE1-CG 4.42Å; F29-L90 HydrophobicContact CZ-CD1 3.85Å; F29-M93 HydrophobicContact CE2-CB 3.97Å; F29-M93 HydrophobicContact CZ-CB 4.07Å; F29-A94 HydrophobicContact CZ-CB 4.37Å; F29-L97 HydrophobicContact CD2-CD1 3.35Å; F29-L97 HydrophobicContact CE2-CD1 3.5Å; F29-L99 HydrophobicContact CB-CD1 3.83Å; F29-L99 HydrophobicContact CB-CD2 3.98Å; F29-L99 HydrophobicContact CB-CG 4.47Å; F29-L99 HydrophobicContact CD1-CD1 3.46Å; F29-L99 VanDerWaalsContact CD1-CD1 3.46Å; F29-L99 HydrophobicContact CD2-CD1 3.93Å; F29-L99 HydrophobicContact CE1-CD1 3.91Å; F29-L99 HydrophobicContact CE2-CD1 4.33Å; F29-L99 HydrophobicContact CG-CD1 3.45Å; F29-L99 VanDerWaalsContact CG-CD1 3.45Å; F29-L99 HydrophobicContact CG-CD2 4.48Å; F29-L99 HydrophobicContact CG-CG 4.44Å; F29-L99 HydrophobicContact CZ-CD1 4.32Å; F29-K146 HydrophobicContact CD1-CD 4.31Å; F29-K146 HydrophobicContact CE1-CD 4.23Å |
| 30 | M | 75 | Confident | 70.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -33.2 | -178.9 | -75.9 | -51.1 | -57.9 | 0 | 0 | 112.5 | S26 V27 W33 R34 L90 D142 K146 L161 | S26-M30 WeakPolarHBondContact O-CB 3.45Å; S26-M30 WeakPolarHBondContact O-CG 3.42Å; S26-M30 PolarHBondContact O-N 3.07Å; V27-M30 PolarHBondContact O-N 2.8Å; M30-W33 HydrophobicContact CE-CG 4.37Å; M30-W33 PolarHBondContact O-N 3.39Å; M30-R34 WeakPolarHBondContact O-CB 3.18Å; M30-R34 VanDerWaalsContact O-CG 3.29Å; M30-R34 WeakPolarHBondContact O-CG 3.46Å; M30-R34 PolarHBondContact O-N 3.3Å; M30-L90 HydrophobicContact CE-CD1 4.46Å; M30-L90 HydrophobicContact SD-CD1 3.96Å; M30-D142 HydrophobicContact CB-CB 3.83Å; M30-D142 HydrophobicContact CE-CB 3.62Å; M30-D142 HydrophobicContact CG-CB 3.91Å; M30-K146 HydrophobicContact CG-CD 4.48Å; M30-K146 HydrophobicContact SD-CD 4.13Å; M30-L161 HydrophobicContact CE-CD2 3.52Å; M30-L161 HydrophobicContact SD-CD2 4.22Å |
| 31 | R | 76.9 | Confident | 71.1 | Confident | 103 Ų | 103 | 45.4 Ų | 45.4 | 39% | 0.389 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -48.3 | 174.6 | -178.2 | -178.7 | 66.4 | 140.5 | -4.6 | 111.4 | V27 E28 F29 N35 Q59 P139 | V27-R31 WeakPolarHBondContact O-CB 3.13Å; V27-R31 PolarHBondContact O-N 2.77Å; E28-R31 PolarHBondContact O-N 3Å; E28-R31 IonicContact OE1-NH2 2.64Å; E28-R31 PolarHBondContact OE1-NH2 3.4Å; F29-R31 VanDerWaalsContact C-N 3.28Å; F29-R31 PolarHBondContact O-N 2.84Å; R31-N35 PolarHBondContact O-N 3.33Å; R31-Q59 VanDerWaalsContact NH2-NE2 3.11Å; R31-P139 HydrophobicContact CB-CB 3.84Å; R31-P139 HydrophobicContact CB-CG 4.05Å; R31-P139 HydrophobicContact CG-CB 4.47Å; R31-P139 HydrophobicContact CG-CG 4.17Å |
| 32 | I | 74.8 | Confident | 71.7 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71 | -44.3 | 179 | -54.5 | 166 | 0 | 0 | 0 | 109.2 | L23 E28 F29 R34 N35 Y36 F52 L56 | L23-I32 HydrophobicContact CD2-CD1 4.44Å; E28-I32 HydrophobicContact CG-CD1 4.38Å; E28-I32 WeakPolarHBondContact O-CG1 3.34Å; E28-I32 PolarHBondContact O-N 3.14Å; E28-I32 VanDerWaalsContact O-N 3.12Å; F29-I32 PolarHBondContact O-N 2.71Å; I32-R34 VanDerWaalsContact C-N 3.33Å; I32-R34 PolarHBondContact O-N 3.26Å; I32-N35 WeakPolarHBondContact O-CB 3.27Å; I32-N35 PolarHBondContact O-N 2.88Å; I32-Y36 HydrophobicContact CG2-CD2 3.92Å; I32-Y36 HydrophobicContact CG2-CE2 3.85Å; I32-Y36 VanDerWaalsContact O-CD2 3.28Å; I32-Y36 WeakPolarHBondContact O-CD2 3.41Å; I32-Y36 PolarHBondContact O-N 2.92Å; I32-F52 HydrophobicContact CB-CD2 4.29Å; I32-F52 HydrophobicContact CB-CE2 3.82Å; I32-F52 HydrophobicContact CG2-CD2 3.33Å; I32-F52 HydrophobicContact CG2-CE2 3.3Å; I32-F52 HydrophobicContact CG2-CG 4.32Å; I32-F52 HydrophobicContact CG2-CZ 4.27Å; I32-L56 HydrophobicContact CD1-CD1 4.06Å |
| 33 | W | 78.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.5 | -50 | 175.9 | 177.2 | -85 | 0 | 0 | 0 | 111.8 | F29 M30 N35 Y36 D37 I44 L90 M93 | F29-W33 HydrophobicContact CE2-CE3 4.36Å; F29-W33 AromaticContact CZ-CE3 3.97Å; F29-W33 HydrophobicContact CZ-CE3 3.97Å; F29-W33 VanDerWaalsContact O-CB 3.31Å; F29-W33 WeakPolarHBondContact O-CB 3.47Å; F29-W33 PolarHBondContact O-N 3.45Å; M30-W33 HydrophobicContact CE-CG 4.37Å; M30-W33 PolarHBondContact O-N 3.39Å; W33-N35 VanDerWaalsContact C-N 3.26Å; W33-N35 PolarHBondContact O-N 3.05Å; W33-Y36 CarbonylContact O-C 3.59Å; W33-Y36 PolarHBondContact O-N 2.77Å; W33-D37 HydrophobicContact CD2-CB 4.48Å; W33-D37 HydrophobicContact CZ2-CB 4.16Å; W33-D37 VanDerWaalsContact NE1-CB 3.34Å; W33-D37 PolarHBondContact NE1-OD2 3.47Å; W33-D37 WeakPolarHBondContact O-CB 3.48Å; W33-D37 PolarHBondContact O-N 3.38Å; W33-I44 HydrophobicContact CD2-CD1 3.91Å; W33-I44 HydrophobicContact CD2-CG1 4.48Å; W33-I44 HydrophobicContact CE3-CD1 3.32Å; W33-I44 HydrophobicContact CE3-CG1 4.05Å; W33-I44 HydrophobicContact CH2-CB 4.41Å; W33-I44 HydrophobicContact CH2-CD1 3.97Å; W33-I44 HydrophobicContact CH2-CG1 3.73Å; W33-I44 HydrophobicContact CZ2-CD1 4.48Å; W33-I44 HydrophobicContact CZ2-CG1 4.19Å; W33-I44 HydrophobicContact CZ3-CB 4.37Å; W33-I44 HydrophobicContact CZ3-CD1 3.37Å; W33-I44 HydrophobicContact CZ3-CG1 3.66Å; W33-L90 HydrophobicContact CD2-CD1 3.47Å; W33-L90 VanDerWaalsContact CD2-CD1 3.47Å; W33-L90 HydrophobicContact CE3-CD1 3.8Å; W33-L90 HydrophobicContact CG-CD1 3.9Å; W33-L90 VanDerWaalsContact CH2-CA 3.48Å; W33-L90 HydrophobicContact CH2-CB 4.09Å; W33-L90 HydrophobicContact CH2-CD1 4.27Å; W33-L90 HydrophobicContact CZ2-CB 4.09Å; W33-L90 HydrophobicContact CZ2-CD1 3.96Å; W33-L90 HydrophobicContact CZ3-CB 4.48Å; W33-L90 HydrophobicContact CZ3-CD1 4.17Å; W33-M93 HydrophobicContact CE3-CB 4.06Å; W33-M93 HydrophobicContact CE3-CG 4.25Å; W33-M93 HydrophobicContact CZ3-CB 3.69Å; W33-M93 HydrophobicContact CZ3-CG 3.63Å |
| 34 | R | 79.3 | Confident | 73.8 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -25.6 | 179.8 | -77 | -66.2 | -162.6 | -170.1 | -4.9 | 114.4 | M30 I32 Y36 S40 D142 D162 | M30-R34 WeakPolarHBondContact O-CB 3.18Å; M30-R34 VanDerWaalsContact O-CG 3.29Å; M30-R34 WeakPolarHBondContact O-CG 3.46Å; M30-R34 PolarHBondContact O-N 3.3Å; I32-R34 VanDerWaalsContact C-N 3.33Å; I32-R34 PolarHBondContact O-N 3.26Å; R34-Y36 VanDerWaalsContact C-N 3.3Å; R34-S40 PolarHBondContact NH1-OG 3.02Å; R34-D142 WeakPolarHBondContact CG-OD2 3.42Å; R34-D142 IonicContact CZ-OD1 3.57Å; R34-D142 IonicContact CZ-OD2 3.87Å; R34-D142 IonicContact NE-OD1 2.77Å; R34-D142 PolarHBondContact NE-OD1 2.84Å; R34-D142 IonicContact NE-OD2 3.29Å; R34-D142 PolarHBondContact NE-OD2 2.69Å; R34-D142 IonicContact NH2-OD1 2.77Å; R34-D142 PolarHBondContact NH2-OD1 3.23Å; R34-D142 IonicContact NH2-OD2 3.36Å; R34-D162 IonicContact CZ-OD1 3.53Å; R34-D162 VanDerWaalsContact CZ-OD1 3.26Å; R34-D162 IonicContact NH1-OD1 3.26Å; R34-D162 PolarHBondContact NH1-OD1 3.04Å; R34-D162 IonicContact NH1-OD2 2.92Å; R34-D162 PolarHBondContact NH1-OD2 3.22Å; R34-D162 IonicContact NH2-OD1 3.27Å; R34-D162 PolarHBondContact NH2-OD1 2.86Å |
| 35 | N | 79.9 | Confident | 75.2 | Confident | 111 Ų | 111 | 39.4 Ų | 39.4 | 59% | 0.594 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -68.7 | -34.1 | 172.5 | -84.1 | 5.5 | 0 | 0 | 0 | 111.5 | R31 I32 W33 T38 | R31-N35 PolarHBondContact O-N 3.33Å; I32-N35 WeakPolarHBondContact O-CB 3.27Å; I32-N35 PolarHBondContact O-N 2.88Å; W33-N35 VanDerWaalsContact C-N 3.26Å; W33-N35 PolarHBondContact O-N 3.05Å; N35-T38 PolarHBondContact O-OG1 3.19Å; N35-T38 VanDerWaalsContact O-OG1 3.11Å |
| 36 | Y | 79.3 | Confident | 76.1 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -94.8 | -35.9 | -175.9 | -73 | -78.1 | 0 | 0 | 0 | 113.4 | I32 W33 R34 T38 E48 G51 F52 D55 | I32-Y36 HydrophobicContact CG2-CD2 3.92Å; I32-Y36 HydrophobicContact CG2-CE2 3.85Å; I32-Y36 VanDerWaalsContact O-CD2 3.28Å; I32-Y36 WeakPolarHBondContact O-CD2 3.41Å; I32-Y36 PolarHBondContact O-N 2.92Å; W33-Y36 CarbonylContact O-C 3.59Å; W33-Y36 PolarHBondContact O-N 2.77Å; R34-Y36 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 2.9Å; Y36-E48 HydrophobicContact CD1-CB 4.2Å; Y36-E48 WeakPolarHBondContact CD1-O 3.49Å; Y36-G51 VanDerWaalsContact CE1-C 3.46Å; Y36-G51 PolarHBondContact OH-O 3.17Å; Y36-F52 HydrophobicContact CD1-CB 4.48Å; Y36-F52 HydrophobicContact CD2-CB 3.96Å; Y36-F52 HydrophobicContact CD2-CD2 4.02Å; Y36-F52 VanDerWaalsContact CE1-N 3.31Å; Y36-F52 VanDerWaalsContact CE2-CA 3.5Å; Y36-F52 HydrophobicContact CE2-CB 4.06Å; Y36-F52 HydrophobicContact CE2-CD2 4.45Å; Y36-F52 HydrophobicContact CG-CB 4.22Å; Y36-D55 HydrophobicContact CE2-CB 4.47Å; Y36-D55 PolarHBondContact OH-OD2 2.77Å |
| 37 | D | 78.3 | Confident | 76.9 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -88.2 | 56.4 | 170.9 | -176.4 | 27.9 | 0 | 0 | 0 | 109.9 | W33 D39 S40 S41 G42 | W33-D37 HydrophobicContact CD2-CB 4.48Å; W33-D37 HydrophobicContact CZ2-CB 4.16Å; W33-D37 VanDerWaalsContact NE1-CB 3.34Å; W33-D37 PolarHBondContact NE1-OD2 3.47Å; W33-D37 WeakPolarHBondContact O-CB 3.48Å; W33-D37 PolarHBondContact O-N 3.38Å; D37-D39 PolarHBondContact O-N 3.4Å; D37-S40 PolarHBondContact O-N 2.81Å; D37-S40 VanDerWaalsContact O-N 3.07Å; D37-S40 WeakPolarHBondContact OD1-CA 3.29Å; D37-S40 PolarHBondContact OD1-N 3.36Å; D37-S41 PolarHBondContact OD1-N 2.86Å; D37-S41 PolarHBondContact OD1-OG 3.23Å; D37-G42 PolarHBondContact OD1-N 3.4Å; D37-G42 WeakPolarHBondContact OD2-CA 3.29Å; D37-G42 PolarHBondContact OD2-N 2.83Å | ||
| 38 | T | 67.5 | Low | 77.7 | Confident | 113 Ų | 113 | 48.1 Ų | 48.1 | 69% | 0.693 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29.1 | -173.8 | -31.8 | 0 | 0 | 0 | 0 | 111.8 | N35 Y36 S40 | N35-T38 PolarHBondContact O-OG1 3.19Å; N35-T38 VanDerWaalsContact O-OG1 3.11Å; Y36-T38 PolarHBondContact O-N 2.9Å; T38-S40 VanDerWaalsContact C-N 3.3Å |
| 39 | D | 71.5 | Confident | 78.2 | Confident | 117 Ų | 117 | 45.1 Ų | 45.1 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -3.1 | 177.6 | 71.8 | -13.1 | 0 | 0 | 0 | 113.3 | D37 S41 | D37-D39 PolarHBondContact O-N 3.4Å; D39-S41 PolarHBondContact O-N 2.86Å; D39-S41 WeakPolarHBondContact OD1-CB 3.42Å; D39-S41 PolarHBondContact OD1-N 2.83Å; D39-S41 PolarHBondContact OD1-OG 2.92Å; D39-S41 WeakPolarHBondContact OD2-CB 3.35Å |
| 40 | S | 68.8 | Low | 78.6 | Confident | 48 Ų | 48 | 48.2 Ų | 48.2 | 34% | 0.336 | 25% | 0.253 | S | S | . | . | trans | 54 | 34.3 | -176.4 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | R34 D37 T38 G42 D162 | R34-S40 PolarHBondContact NH1-OG 3.02Å; D37-S40 PolarHBondContact O-N 2.81Å; D37-S40 VanDerWaalsContact O-N 3.07Å; D37-S40 WeakPolarHBondContact OD1-CA 3.29Å; D37-S40 PolarHBondContact OD1-N 3.36Å; T38-S40 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 3.28Å; S40-D162 WeakPolarHBondContact CB-OD2 3.24Å | ||
| 41 | S | 74.7 | Confident | 79 | Confident | 31 Ų | 31 | 49 Ų | 49 | 22% | 0.217 | 26% | 0.262 | C | S | . | . | trans | -67.8 | -23 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | D37 D39 Y43 M159 | D37-S41 PolarHBondContact OD1-N 2.86Å; D37-S41 PolarHBondContact OD1-OG 3.23Å; D39-S41 PolarHBondContact O-N 2.86Å; D39-S41 WeakPolarHBondContact OD1-CB 3.42Å; D39-S41 PolarHBondContact OD1-N 2.83Å; D39-S41 PolarHBondContact OD1-OG 2.92Å; D39-S41 WeakPolarHBondContact OD2-CB 3.35Å; S41-Y43 VanDerWaalsContact C-N 3.32Å; S41-Y43 WeakPolarHBondContact O-CD2 3.37Å; S41-Y43 WeakPolarHBondContact O-CE2 3.35Å; S41-Y43 PolarHBondContact OG-N 3.44Å; S41-Y43 PolarHBondContact OG-O 3.25Å; S41-M159 WeakPolarHBondContact O-CG 3.38Å | ||
| 42 | G | 77.3 | Confident | 79.2 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 80.4 | 17.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D37 S40 | D37-G42 PolarHBondContact OD1-N 3.4Å; D37-G42 WeakPolarHBondContact OD2-CA 3.29Å; D37-G42 PolarHBondContact OD2-N 2.83Å; S40-G42 PolarHBondContact O-N 3.28Å |
| 43 | Y | 83 | Confident | 79.6 | Confident | 73 Ų | 73 | 44 Ų | 44 | 29% | 0.286 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.8 | 179.6 | -58.9 | -79.8 | 0 | 0 | 0 | 110.6 | S41 R87 L88 D89 M159 | S41-Y43 VanDerWaalsContact C-N 3.32Å; S41-Y43 WeakPolarHBondContact O-CD2 3.37Å; S41-Y43 WeakPolarHBondContact O-CE2 3.35Å; S41-Y43 PolarHBondContact OG-N 3.44Å; S41-Y43 PolarHBondContact OG-O 3.25Å; Y43-R87 HydrophobicContact CD1-CB 4.3Å; Y43-L88 CarbonylContact C-O 3.5Å; Y43-L88 WeakPolarHBondContact CA-O 3.45Å; Y43-D89 HydrophobicContact CD1-CB 4.18Å; Y43-D89 HydrophobicContact CE1-CB 4.2Å; Y43-M159 HydrophobicContact CE2-CE 4.17Å |
| 44 | I | 83.5 | Confident | 79.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.3 | 170.9 | -71.2 | -176.2 | 0 | 0 | 0 | 107.9 | W33 E48 L49 R87 L88 M93 | W33-I44 HydrophobicContact CD2-CD1 3.91Å; W33-I44 HydrophobicContact CD2-CG1 4.48Å; W33-I44 HydrophobicContact CE3-CD1 3.32Å; W33-I44 HydrophobicContact CE3-CG1 4.05Å; W33-I44 HydrophobicContact CH2-CB 4.41Å; W33-I44 HydrophobicContact CH2-CD1 3.97Å; W33-I44 HydrophobicContact CH2-CG1 3.73Å; W33-I44 HydrophobicContact CZ2-CD1 4.48Å; W33-I44 HydrophobicContact CZ2-CG1 4.19Å; W33-I44 HydrophobicContact CZ3-CB 4.37Å; W33-I44 HydrophobicContact CZ3-CD1 3.37Å; W33-I44 HydrophobicContact CZ3-CG1 3.66Å; I44-E48 HydrophobicContact CG2-CB 3.67Å; I44-L49 HydrophobicContact CG2-CB 4.06Å; I44-R87 CarbonylContact O-C 3.6Å; I44-R87 WeakPolarHBondContact O-CA 3.38Å; I44-L88 PolarHBondContact N-O 3.11Å; I44-L88 PolarHBondContact O-N 2.88Å; I44-M93 HydrophobicContact CD1-CE 4.4Å |
| 45 | S | 84.9 | Confident | 79.8 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 163.1 | 174.3 | 67.5 | 0 | 0 | 0 | 0 | 112 | N47 E48 L49 G86 | S45-N47 PolarHBondContact O-N 2.9Å; S45-N47 VanDerWaalsContact O-N 3.13Å; S45-E48 VanDerWaalsContact CB-OE2 3.26Å; S45-E48 WeakPolarHBondContact CB-OE2 3.33Å; S45-E48 PolarHBondContact N-OE2 3.2Å; S45-E48 PolarHBondContact O-N 3.26Å; S45-E48 VanDerWaalsContact OG-CD 3.29Å; S45-E48 PolarHBondContact OG-N 3.4Å; S45-E48 PolarHBondContact OG-OE2 3.34Å; S45-L49 PolarHBondContact O-N 2.92Å; S45-G86 WeakPolarHBondContact CA-O 3.02Å |
| 46 | A | 83 | Confident | 79.7 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -53.5 | -34.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K50 T73 M77 G86 | A46-K50 PolarHBondContact O-N 3.32Å; A46-K50 VanDerWaalsContact O-N 3.14Å; A46-T73 WeakPolarHBondContact O-CG2 3.23Å; A46-M77 HydrophobicContact CB-CE 4.14Å; A46-M77 HydrophobicContact CB-CG 4.18Å; A46-M77 HydrophobicContact CB-SD 4.23Å; A46-G86 PolarHBondContact N-O 3.19Å |
| 47 | N | 82.4 | Confident | 79.7 | Confident | 138 Ų | 138 | 43.7 Ų | 43.7 | 74% | 0.738 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71.1 | -40.2 | 177.9 | -75.5 | -25.6 | 0 | 0 | 0 | 112 | S45 K50 G51 | S45-N47 PolarHBondContact O-N 2.9Å; S45-N47 VanDerWaalsContact O-N 3.13Å; N47-K50 WeakPolarHBondContact O-CB 3.3Å; N47-K50 PolarHBondContact O-N 2.95Å; N47-G51 PolarHBondContact O-N 3.23Å |
| 48 | E | 84.1 | Confident | 79.6 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.4 | -35.8 | 175.9 | -71.2 | 155.1 | 156.2 | 0 | 0 | 111.1 | Y36 I44 S45 K50 G51 F52 | Y36-E48 HydrophobicContact CD1-CB 4.2Å; Y36-E48 WeakPolarHBondContact CD1-O 3.49Å; I44-E48 HydrophobicContact CG2-CB 3.67Å; S45-E48 VanDerWaalsContact CB-OE2 3.26Å; S45-E48 WeakPolarHBondContact CB-OE2 3.33Å; S45-E48 PolarHBondContact N-OE2 3.2Å; S45-E48 PolarHBondContact O-N 3.26Å; S45-E48 VanDerWaalsContact OG-CD 3.29Å; S45-E48 PolarHBondContact OG-N 3.4Å; S45-E48 PolarHBondContact OG-OE2 3.34Å; E48-K50 VanDerWaalsContact C-N 3.29Å; E48-K50 PolarHBondContact O-N 3.24Å; E48-G51 PolarHBondContact O-N 3.45Å; E48-F52 WeakPolarHBondContact O-CB 3.32Å; E48-F52 PolarHBondContact O-N 3.05Å |
| 49 | L | 83.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 172.9 | -179 | 63 | 0 | 0 | 0 | 111.7 | I44 S45 G51 F52 L53 T73 M76 M77 L88 M93 | I44-L49 HydrophobicContact CG2-CB 4.06Å; S45-L49 PolarHBondContact O-N 2.92Å; L49-G51 VanDerWaalsContact C-N 3.33Å; L49-G51 PolarHBondContact O-N 2.93Å; L49-F52 HydrophobicContact CD1-CD1 4.41Å; L49-F52 WeakPolarHBondContact O-CB 3.39Å; L49-F52 PolarHBondContact O-N 2.8Å; L49-L53 HydrophobicContact CD1-CD1 4.5Å; L49-L53 HydrophobicContact CD1-CG 4.33Å; L49-L53 HydrophobicContact CG-CD1 4.25Å; L49-L53 WeakPolarHBondContact O-CB 3.26Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 3.47Å; L49-T73 HydrophobicContact CB-CG2 4.28Å; L49-T73 HydrophobicContact CD2-CG2 3.91Å; L49-T73 HydrophobicContact CG-CG2 4.15Å; L49-M76 HydrophobicContact CD2-CB 4.12Å; L49-M77 HydrophobicContact CD2-CG 4.05Å; L49-M77 HydrophobicContact CD2-SD 3.88Å; L49-L88 HydrophobicContact CD1-CD1 4.19Å; L49-L88 HydrophobicContact CD2-CD1 3.61Å; L49-L88 HydrophobicContact CG-CD1 4.45Å; L49-M93 HydrophobicContact CD1-CE 3.73Å; L49-M93 HydrophobicContact CD1-SD 3.5Å; L49-M93 WeakPolarHBondContact CD1-SD 3.47Å |
| 50 | K | 84.9 | Confident | 79.8 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176 | -170.6 | 172.6 | -174.9 | 166.3 | 0 | 111.3 | A46 N47 E48 Q54 L69 E70 T73 | A46-K50 PolarHBondContact O-N 3.32Å; A46-K50 VanDerWaalsContact O-N 3.14Å; N47-K50 WeakPolarHBondContact O-CB 3.3Å; N47-K50 PolarHBondContact O-N 2.95Å; E48-K50 VanDerWaalsContact C-N 3.29Å; E48-K50 PolarHBondContact O-N 3.24Å; K50-Q54 WeakPolarHBondContact O-CB 3.46Å; K50-Q54 PolarHBondContact O-N 3.36Å; K50-Q54 VanDerWaalsContact O-N 3.12Å; K50-L69 HydrophobicContact CG-CD2 3.68Å; K50-L69 HydrophobicContact CG-CG 3.93Å; K50-E70 IonicContact NZ-OE1 2.69Å; K50-E70 PolarHBondContact NZ-OE1 2.89Å; K50-T73 HydrophobicContact CB-CG2 4.36Å |
| 51 | G | 82.9 | Confident | 79.9 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y36 N47 E48 L49 L53 Q54 D55 | Y36-G51 VanDerWaalsContact CE1-C 3.46Å; Y36-G51 PolarHBondContact OH-O 3.17Å; N47-G51 PolarHBondContact O-N 3.23Å; E48-G51 PolarHBondContact O-N 3.45Å; L49-G51 VanDerWaalsContact C-N 3.33Å; L49-G51 PolarHBondContact O-N 2.93Å; G51-L53 VanDerWaalsContact C-N 3.31Å; G51-L53 PolarHBondContact O-N 3.39Å; G51-Q54 WeakPolarHBondContact O-CA 3.36Å; G51-Q54 WeakPolarHBondContact O-CB 3.46Å; G51-Q54 PolarHBondContact O-N 3.28Å; G51-D55 PolarHBondContact O-N 2.92Å |
| 52 | F | 82.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -51.5 | -50.5 | 177.3 | 172.7 | -82.8 | 0 | 0 | 0 | 111.6 | I32 Y36 E48 L49 Q54 D55 L56 M93 L97 | I32-F52 HydrophobicContact CB-CD2 4.29Å; I32-F52 HydrophobicContact CB-CE2 3.82Å; I32-F52 HydrophobicContact CG2-CD2 3.33Å; I32-F52 HydrophobicContact CG2-CE2 3.3Å; I32-F52 HydrophobicContact CG2-CG 4.32Å; I32-F52 HydrophobicContact CG2-CZ 4.27Å; Y36-F52 HydrophobicContact CD1-CB 4.48Å; Y36-F52 HydrophobicContact CD2-CB 3.96Å; Y36-F52 HydrophobicContact CD2-CD2 4.02Å; Y36-F52 VanDerWaalsContact CE1-N 3.31Å; Y36-F52 VanDerWaalsContact CE2-CA 3.5Å; Y36-F52 HydrophobicContact CE2-CB 4.06Å; Y36-F52 HydrophobicContact CE2-CD2 4.45Å; Y36-F52 HydrophobicContact CG-CB 4.22Å; E48-F52 WeakPolarHBondContact O-CB 3.32Å; E48-F52 PolarHBondContact O-N 3.05Å; L49-F52 HydrophobicContact CD1-CD1 4.41Å; L49-F52 WeakPolarHBondContact O-CB 3.39Å; L49-F52 PolarHBondContact O-N 2.8Å; F52-Q54 VanDerWaalsContact C-N 3.33Å; F52-Q54 PolarHBondContact O-N 3.31Å; F52-D55 PolarHBondContact O-N 3.05Å; F52-L56 HydrophobicContact CE1-CD2 3.97Å; F52-L56 HydrophobicContact CZ-CD2 4.49Å; F52-L56 VanDerWaalsContact O-CB 3.3Å; F52-L56 WeakPolarHBondContact O-CB 3.5Å; F52-L56 PolarHBondContact O-N 3.49Å; F52-M93 HydrophobicContact CD1-CE 3.5Å; F52-M93 VanDerWaalsContact CD1-CE 3.5Å; F52-M93 HydrophobicContact CD2-CE 3.83Å; F52-M93 HydrophobicContact CE1-CE 3.5Å; F52-M93 HydrophobicContact CE2-CE 3.83Å; F52-M93 HydrophobicContact CG-CE 3.71Å; F52-M93 HydrophobicContact CZ-CE 3.7Å; F52-L97 HydrophobicContact CE1-CD1 4.15Å; F52-L97 HydrophobicContact CE1-CD2 3.99Å; F52-L97 HydrophobicContact CZ-CD1 3.6Å; F52-L97 HydrophobicContact CZ-CD2 4.15Å; F52-L97 HydrophobicContact CZ-CG 4.46Å |
| 53 | L | 81.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 179.4 | -70.5 | 173.8 | 0 | 0 | 0 | 111 | F17 L49 G51 L56 F57 L69 M76 | F17-L53 HydrophobicContact CE2-CD2 3.73Å; F17-L53 HydrophobicContact CZ-CD2 3.56Å; L49-L53 HydrophobicContact CD1-CD1 4.5Å; L49-L53 HydrophobicContact CD1-CG 4.33Å; L49-L53 HydrophobicContact CG-CD1 4.25Å; L49-L53 WeakPolarHBondContact O-CB 3.26Å; L49-L53 VanDerWaalsContact O-CG 3.32Å; L49-L53 WeakPolarHBondContact O-CG 3.42Å; L49-L53 PolarHBondContact O-N 3.47Å; G51-L53 VanDerWaalsContact C-N 3.31Å; G51-L53 PolarHBondContact O-N 3.39Å; L53-L56 PolarHBondContact O-N 2.96Å; L53-F57 HydrophobicContact CB-CE2 4.46Å; L53-F57 WeakPolarHBondContact O-CD2 3.36Å; L53-F57 PolarHBondContact O-N 3.42Å; L53-L69 HydrophobicContact CB-CD1 3.41Å; L53-L69 VanDerWaalsContact CB-CD1 3.41Å; L53-L69 HydrophobicContact CD1-CD1 4.33Å; L53-M76 HydrophobicContact CD1-SD 3.96Å; L53-M76 HydrophobicContact CD2-CE 3.87Å; L53-M76 HydrophobicContact CD2-SD 3.89Å; L53-M76 HydrophobicContact CG-SD 4.44Å |
| 54 | Q | 83.3 | Confident | 79.1 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 177.9 | -175.6 | 174.7 | -9.5 | 0 | 0 | 111.9 | K50 G51 F52 F57 L58 L69 | K50-Q54 WeakPolarHBondContact O-CB 3.46Å; K50-Q54 PolarHBondContact O-N 3.36Å; K50-Q54 VanDerWaalsContact O-N 3.12Å; G51-Q54 WeakPolarHBondContact O-CA 3.36Å; G51-Q54 WeakPolarHBondContact O-CB 3.46Å; G51-Q54 PolarHBondContact O-N 3.28Å; F52-Q54 VanDerWaalsContact C-N 3.33Å; F52-Q54 PolarHBondContact O-N 3.31Å; Q54-F57 PolarHBondContact O-N 3.25Å; Q54-L58 WeakPolarHBondContact O-CB 3.38Å; Q54-L58 PolarHBondContact O-N 3.12Å; Q54-L69 HydrophobicContact CB-CD1 4.49Å; Q54-L69 HydrophobicContact CB-CD2 3.99Å |
| 55 | D | 79.3 | Confident | 79.1 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 177.2 | -84.9 | -1.7 | 0 | 0 | 0 | 112 | Y36 G51 F52 L58 Q59 | Y36-D55 HydrophobicContact CE2-CB 4.47Å; Y36-D55 PolarHBondContact OH-OD2 2.77Å; G51-D55 PolarHBondContact O-N 2.92Å; F52-D55 PolarHBondContact O-N 3.05Å; D55-L58 WeakPolarHBondContact O-CB 3.22Å; D55-L58 PolarHBondContact O-N 3.29Å; D55-Q59 WeakPolarHBondContact O-CG 3.39Å; D55-Q59 PolarHBondContact O-N 2.86Å |
| 56 | L | 77.6 | Confident | 78.9 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 176.3 | -173.9 | 70 | 0 | 0 | 0 | 111 | F17 T21 L23 I32 F52 L53 L58 Q59 H60 L97 | F17-L56 HydrophobicContact CZ-CD2 3.76Å; T21-L56 HydrophobicContact CG2-CD2 4.29Å; T21-L56 HydrophobicContact CG2-CG 4.36Å; L23-L56 HydrophobicContact CD1-CD1 3.96Å; L23-L56 HydrophobicContact CD2-CD1 3.98Å; L23-L56 HydrophobicContact CG-CD1 4.07Å; I32-L56 HydrophobicContact CD1-CD1 4.06Å; F52-L56 HydrophobicContact CE1-CD2 3.97Å; F52-L56 HydrophobicContact CZ-CD2 4.49Å; F52-L56 VanDerWaalsContact O-CB 3.3Å; F52-L56 WeakPolarHBondContact O-CB 3.5Å; F52-L56 PolarHBondContact O-N 3.49Å; L53-L56 PolarHBondContact O-N 2.96Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.25Å; L56-Q59 PolarHBondContact O-N 2.83Å; L56-H60 PolarHBondContact O-CD2 3.42Å; L56-H60 PolarHBondContact O-N 3.25Å; L56-L97 HydrophobicContact CD2-CD2 3.93Å |
| 57 | F | 78.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.018 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -38 | 176.1 | -77.7 | -68 | 0 | 0 | 0 | 112.3 | F17 T21 L53 Q54 H60 R61 K62 I64 | F17-F57 HydrophobicContact CD2-CZ 4.02Å; F17-F57 AromaticContact CE2-CE2 3.98Å; F17-F57 HydrophobicContact CE2-CE2 3.98Å; F17-F57 AromaticContact CE2-CZ 3.68Å; F17-F57 HydrophobicContact CE2-CZ 3.68Å; T21-F57 HydrophobicContact CG2-CD1 3.85Å; T21-F57 HydrophobicContact CG2-CE1 3.62Å; T21-F57 HydrophobicContact CG2-CZ 4.19Å; L53-F57 HydrophobicContact CB-CE2 4.46Å; L53-F57 WeakPolarHBondContact O-CD2 3.36Å; L53-F57 PolarHBondContact O-N 3.42Å; Q54-F57 PolarHBondContact O-N 3.25Å; F57-H60 CarbonylContact O-C 3.6Å; F57-H60 PolarHBondContact O-N 3.48Å; F57-R61 PolarHBondContact O-N 3.19Å; F57-K62 CarbonylContact C-O 3.45Å; F57-K62 HydrophobicContact CB-CB 4.48Å; F57-K62 HydrophobicContact CD1-CB 4.15Å; F57-K62 HydrophobicContact CD1-CD 4.38Å; F57-K62 PolarHBondContact O-N 2.76Å; F57-I64 HydrophobicContact CB-CG2 4.39Å; F57-I64 HydrophobicContact CD1-CD1 4.27Å; F57-I64 HydrophobicContact CD2-CB 4.27Å; F57-I64 HydrophobicContact CD2-CD1 3.6Å; F57-I64 HydrophobicContact CD2-CG2 4.01Å; F57-I64 HydrophobicContact CE1-CD1 3.97Å; F57-I64 HydrophobicContact CE2-CD1 3.31Å; F57-I64 HydrophobicContact CG-CB 4.28Å; F57-I64 HydrophobicContact CG-CD1 4.12Å; F57-I64 HydrophobicContact CG-CG2 4.3Å; F57-I64 HydrophobicContact CZ-CD1 3.5Å |
| 58 | L | 77.3 | Confident | 78.8 | Confident | 125 Ų | 125 | 71.7 Ų | 71.7 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62 | -43 | 176.5 | -160.2 | 94.6 | 0 | 0 | 0 | 111.5 | Q54 D55 L56 H60 R61 | Q54-L58 WeakPolarHBondContact O-CB 3.38Å; Q54-L58 PolarHBondContact O-N 3.12Å; D55-L58 WeakPolarHBondContact O-CB 3.22Å; D55-L58 PolarHBondContact O-N 3.29Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.25Å; L58-H60 VanDerWaalsContact C-N 3.28Å; L58-H60 PolarHBondContact O-N 3.12Å; L58-R61 WeakPolarHBondContact O-CA 3.32Å; L58-R61 PolarHBondContact O-N 2.86Å |
| 59 | Q | 71.9 | Confident | 78.8 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 38% | 0.379 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 175.8 | -77 | -175.8 | -20.2 | 0 | 0 | 112 | R31 D55 L56 R61 | R31-Q59 VanDerWaalsContact NH2-NE2 3.11Å; D55-Q59 WeakPolarHBondContact O-CG 3.39Å; D55-Q59 PolarHBondContact O-N 2.86Å; L56-Q59 PolarHBondContact O-N 2.83Å; Q59-R61 PolarHBondContact O-N 2.96Å |
| 60 | H | 70.9 | Confident | 78.9 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 10.9 | 173.6 | -68.4 | -70.1 | 0 | 0 | 0 | 114.2 | P22 L56 F57 L58 K62 | P22-H60 PolarHBondContact O-CE1 3.36Å; P22-H60 VanDerWaalsContact O-CE1 3.31Å; L56-H60 PolarHBondContact O-CD2 3.42Å; L56-H60 PolarHBondContact O-N 3.25Å; F57-H60 CarbonylContact O-C 3.6Å; F57-H60 PolarHBondContact O-N 3.48Å; L58-H60 VanDerWaalsContact C-N 3.28Å; L58-H60 PolarHBondContact O-N 3.12Å; H60-K62 PolarHBondContact O-N 2.93Å |
| 61 | R | 71.1 | Confident | 78.9 | Confident | 239 Ų | 239 | 76 Ų | 76 | 90% | 0.902 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 32.1 | -177.4 | -59.3 | -175.5 | 177.6 | 175.7 | -0.2 | 113.4 | F57 L58 Q59 | F57-R61 PolarHBondContact O-N 3.19Å; L58-R61 WeakPolarHBondContact O-CA 3.32Å; L58-R61 PolarHBondContact O-N 2.86Å; Q59-R61 PolarHBondContact O-N 2.96Å |
| 62 | K | 71.6 | Confident | 78.8 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 37% | 0.37 | 38% | 0.379 | S | S | . | . | trans | -104.7 | 128.3 | 175.9 | -74.1 | -177.6 | 175.5 | 176.4 | 0 | 109.6 | E20 F57 H60 | E20-K62 VanDerWaalsContact CB-NZ 3.33Å; E20-K62 PolarHBondContact O-NZ 2.98Å; F57-K62 CarbonylContact C-O 3.45Å; F57-K62 HydrophobicContact CB-CB 4.48Å; F57-K62 HydrophobicContact CD1-CB 4.15Å; F57-K62 HydrophobicContact CD1-CD 4.38Å; F57-K62 PolarHBondContact O-N 2.76Å; H60-K62 PolarHBondContact O-N 2.93Å | ||
| 63 | S | 68.3 | Low | 79 | Confident | 125 Ų | 125 | 77.2 Ų | 77.2 | 87% | 0.874 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -88 | 117.6 | 168.8 | 61.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 64 | I | 77.3 | Confident | 79.1 | Confident | 40 Ų | 40 | 81.9 Ų | 81.9 | 21% | 0.205 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 142.9 | 173.6 | -156.9 | 163.9 | 0 | 0 | 0 | 110.2 | F57 K68 L69 Y72 | F57-I64 HydrophobicContact CB-CG2 4.39Å; F57-I64 HydrophobicContact CD1-CD1 4.27Å; F57-I64 HydrophobicContact CD2-CB 4.27Å; F57-I64 HydrophobicContact CD2-CD1 3.6Å; F57-I64 HydrophobicContact CD2-CG2 4.01Å; F57-I64 HydrophobicContact CE1-CD1 3.97Å; F57-I64 HydrophobicContact CE2-CD1 3.31Å; F57-I64 HydrophobicContact CG-CB 4.28Å; F57-I64 HydrophobicContact CG-CD1 4.12Å; F57-I64 HydrophobicContact CG-CG2 4.3Å; F57-I64 HydrophobicContact CZ-CD1 3.5Å; I64-K68 HydrophobicContact CD1-CB 4.2Å; I64-K68 HydrophobicContact CG1-CB 3.78Å; I64-K68 HydrophobicContact CG1-CD 4.46Å; I64-L69 HydrophobicContact CG2-CB 4.17Å; I64-L69 HydrophobicContact CG2-CD1 4.16Å; I64-Y72 HydrophobicContact CD1-CD2 3.54Å; I64-Y72 HydrophobicContact CD1-CE2 3.49Å; I64-Y72 VanDerWaalsContact CD1-CE2 3.49Å; I64-Y72 HydrophobicContact CG1-CE2 4.48Å |
| 65 | S | 83.8 | Confident | 79.1 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 148.4 | 174.8 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | Q67 K68 L69 | S65-Q67 PolarHBondContact O-N 2.89Å; S65-K68 PolarHBondContact O-N 3.22Å; S65-K68 VanDerWaalsContact O-N 3.12Å; S65-K68 WeakPolarHBondContact OG-CB 3.13Å; S65-K68 PolarHBondContact OG-N 3.36Å; S65-L69 PolarHBondContact O-N 3.47Å |
| 66 | P | 81.8 | Confident | 79.1 | Confident | 99 Ų | 99 | 75.5 Ų | 75.5 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56 | -34.9 | 177.4 | -25.4 | 33.5 | 0 | 0 | 0 | 113.1 | L69 E70 | P66-L69 WeakPolarHBondContact O-CB 3.09Å; P66-L69 PolarHBondContact O-N 3.15Å; P66-E70 WeakPolarHBondContact O-CB 3.16Å; P66-E70 PolarHBondContact O-N 2.8Å |
| 67 | Q | 82.8 | Confident | 79.4 | Confident | 157 Ų | 157 | 76.4 Ų | 76.4 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.5 | -43.3 | 178.4 | -169.1 | 176 | 14.3 | 0 | 0 | 112.1 | S65 E70 E71 | S65-Q67 PolarHBondContact O-N 2.89Å; Q67-E70 PolarHBondContact O-N 3.01Å; Q67-E71 WeakPolarHBondContact O-CB 3.46Å; Q67-E71 PolarHBondContact O-N 3.49Å |
| 68 | K | 81 | Confident | 79.6 | Confident | 109 Ų | 109 | 83.7 Ų | 83.7 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 173.5 | -94.5 | -176.8 | 172.2 | -173.8 | 0 | 110.7 | I64 S65 E70 E71 Y72 | I64-K68 HydrophobicContact CD1-CB 4.2Å; I64-K68 HydrophobicContact CG1-CB 3.78Å; I64-K68 HydrophobicContact CG1-CD 4.46Å; S65-K68 PolarHBondContact O-N 3.22Å; S65-K68 VanDerWaalsContact O-N 3.12Å; S65-K68 WeakPolarHBondContact OG-CB 3.13Å; S65-K68 PolarHBondContact OG-N 3.36Å; K68-E70 VanDerWaalsContact C-N 3.25Å; K68-E70 PolarHBondContact O-N 2.9Å; K68-E71 CarbonylContact O-C 3.57Å; K68-E71 WeakPolarHBondContact O-CB 2.95Å; K68-E71 PolarHBondContact O-N 2.9Å; K68-E71 VanDerWaalsContact O-N 3.11Å; K68-Y72 HydrophobicContact CB-CD2 4.24Å; K68-Y72 HydrophobicContact CB-CE2 4.02Å; K68-Y72 HydrophobicContact CD-CE2 4.46Å; K68-Y72 HydrophobicContact CG-CE2 4.37Å; K68-Y72 WeakPolarHBondContact O-CD2 3.25Å; K68-Y72 PolarHBondContact O-N 2.64Å |
| 69 | L | 83.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.1 | -42.7 | 178.6 | -174.3 | 66.4 | 0 | 0 | 0 | 111.8 | K50 L53 Q54 I64 S65 P66 Y72 T73 | K50-L69 HydrophobicContact CG-CD2 3.68Å; K50-L69 HydrophobicContact CG-CG 3.93Å; L53-L69 HydrophobicContact CB-CD1 3.41Å; L53-L69 VanDerWaalsContact CB-CD1 3.41Å; L53-L69 HydrophobicContact CD1-CD1 4.33Å; Q54-L69 HydrophobicContact CB-CD1 4.49Å; Q54-L69 HydrophobicContact CB-CD2 3.99Å; I64-L69 HydrophobicContact CG2-CB 4.17Å; I64-L69 HydrophobicContact CG2-CD1 4.16Å; S65-L69 PolarHBondContact O-N 3.47Å; P66-L69 WeakPolarHBondContact O-CB 3.09Å; P66-L69 PolarHBondContact O-N 3.15Å; L69-Y72 PolarHBondContact O-N 3.05Å; L69-T73 WeakPolarHBondContact O-CB 3.35Å; L69-T73 PolarHBondContact O-N 2.79Å; L69-T73 PolarHBondContact O-OG1 3.23Å |
| 70 | E | 84.7 | Confident | 79.9 | Confident | 94 Ų | 94 | 76.8 Ų | 76.8 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 175 | -167.2 | 143.4 | -101 | 0 | 0 | 112.1 | K50 P66 Q67 K68 Y72 T73 E74 | K50-E70 IonicContact NZ-OE1 2.69Å; K50-E70 PolarHBondContact NZ-OE1 2.89Å; P66-E70 WeakPolarHBondContact O-CB 3.16Å; P66-E70 PolarHBondContact O-N 2.8Å; Q67-E70 PolarHBondContact O-N 3.01Å; K68-E70 VanDerWaalsContact C-N 3.25Å; K68-E70 PolarHBondContact O-N 2.9Å; E70-Y72 VanDerWaalsContact C-N 3.34Å; E70-Y72 PolarHBondContact O-N 3.36Å; E70-T73 PolarHBondContact O-N 2.97Å; E70-E74 WeakPolarHBondContact O-CB 3.48Å; E70-E74 PolarHBondContact O-N 3.31Å |
| 71 | E | 84.5 | Confident | 80.3 | Confident | 124 Ų | 124 | 74.5 Ų | 74.5 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 174.8 | -157.3 | 174.6 | -153.2 | 0 | 0 | 111.7 | Q67 K68 T75 | Q67-E71 WeakPolarHBondContact O-CB 3.46Å; Q67-E71 PolarHBondContact O-N 3.49Å; K68-E71 CarbonylContact O-C 3.57Å; K68-E71 WeakPolarHBondContact O-CB 2.95Å; K68-E71 PolarHBondContact O-N 2.9Å; K68-E71 VanDerWaalsContact O-N 3.11Å; E71-T75 WeakPolarHBondContact O-CB 3.45Å; E71-T75 PolarHBondContact O-N 3.42Å; E71-T75 PolarHBondContact O-OG1 2.92Å |
| 72 | Y | 81.8 | Confident | 80.4 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.8 | -47 | 174.5 | -76.8 | -75.3 | 0 | 0 | 0 | 111.3 | F13 F17 I64 K68 L69 E70 T75 M76 | F13-Y72 HydrophobicContact CD2-CD1 4.32Å; F13-Y72 HydrophobicContact CD2-CE1 4.14Å; F13-Y72 HydrophobicContact CE1-CD1 4.23Å; F13-Y72 AromaticContact CE2-CD1 3.17Å; F13-Y72 HydrophobicContact CE2-CD1 3.17Å; F13-Y72 AromaticContact CE2-CE1 3.35Å; F13-Y72 HydrophobicContact CE2-CE1 3.35Å; F13-Y72 HydrophobicContact CE2-CG 4.1Å; F13-Y72 AromaticContact CZ-CD1 3.14Å; F13-Y72 HydrophobicContact CZ-CD1 3.14Å; F13-Y72 AromaticContact CZ-CE1 3.77Å; F13-Y72 HydrophobicContact CZ-CE1 3.77Å; F13-Y72 HydrophobicContact CZ-CG 4.03Å; F17-Y72 HydrophobicContact CD2-CD1 4.08Å; F17-Y72 HydrophobicContact CD2-CE1 4.21Å; I64-Y72 HydrophobicContact CD1-CD2 3.54Å; I64-Y72 HydrophobicContact CD1-CE2 3.49Å; I64-Y72 VanDerWaalsContact CD1-CE2 3.49Å; I64-Y72 HydrophobicContact CG1-CE2 4.48Å; K68-Y72 HydrophobicContact CB-CD2 4.24Å; K68-Y72 HydrophobicContact CB-CE2 4.02Å; K68-Y72 HydrophobicContact CD-CE2 4.46Å; K68-Y72 HydrophobicContact CG-CE2 4.37Å; K68-Y72 WeakPolarHBondContact O-CD2 3.25Å; K68-Y72 PolarHBondContact O-N 2.64Å; L69-Y72 PolarHBondContact O-N 3.05Å; E70-Y72 VanDerWaalsContact C-N 3.34Å; E70-Y72 PolarHBondContact O-N 3.36Å; Y72-T75 PolarHBondContact O-N 3.1Å; Y72-M76 WeakPolarHBondContact O-CB 3.42Å; Y72-M76 VanDerWaalsContact O-CG 3.26Å; Y72-M76 WeakPolarHBondContact O-CG 3.39Å; Y72-M76 PolarHBondContact O-N 3.03Å |
| 73 | T | 85.3 | Confident | 80.6 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 179.7 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | A46 L49 K50 L69 E70 T75 M76 M77 | A46-T73 WeakPolarHBondContact O-CG2 3.23Å; L49-T73 HydrophobicContact CB-CG2 4.28Å; L49-T73 HydrophobicContact CD2-CG2 3.91Å; L49-T73 HydrophobicContact CG-CG2 4.15Å; K50-T73 HydrophobicContact CB-CG2 4.36Å; L69-T73 WeakPolarHBondContact O-CB 3.35Å; L69-T73 PolarHBondContact O-N 2.79Å; L69-T73 PolarHBondContact O-OG1 3.23Å; E70-T73 PolarHBondContact O-N 2.97Å; T73-T75 VanDerWaalsContact C-N 3.33Å; T73-T75 PolarHBondContact O-N 3.24Å; T73-M76 PolarHBondContact O-N 3.15Å; T73-M77 WeakPolarHBondContact O-CB 3.48Å; T73-M77 VanDerWaalsContact O-CG 3.27Å; T73-M77 WeakPolarHBondContact O-CG 3.36Å; T73-M77 PolarHBondContact O-N 3.14Å |
| 74 | E | 84.8 | Confident | 81.1 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 179 | -82.4 | -163.7 | -164.1 | 0 | 0 | 112.6 | E70 M77 K78 | E70-E74 WeakPolarHBondContact O-CB 3.48Å; E70-E74 PolarHBondContact O-N 3.31Å; E74-M77 PolarHBondContact O-N 2.97Å; E74-K78 WeakPolarHBondContact O-CB 3.33Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.48Å; E74-K78 PolarHBondContact O-N 3.29Å; E74-K78 IonicContact OE2-NZ 2.87Å; E74-K78 PolarHBondContact OE2-NZ 2.88Å |
| 75 | T | 82.9 | Confident | 81.2 | Confident | 37 Ų | 37 | 79 Ų | 79 | 23% | 0.227 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | -178.8 | -61.6 | 0 | 0 | 0 | 0 | 110.5 | F13 E71 Y72 T73 K78 M79 | F13-T75 HydrophobicContact CD1-CG2 3.84Å; F13-T75 HydrophobicContact CD2-CG2 4.13Å; F13-T75 HydrophobicContact CE1-CG2 3.73Å; F13-T75 HydrophobicContact CE2-CG2 3.99Å; F13-T75 HydrophobicContact CG-CG2 4.02Å; F13-T75 HydrophobicContact CZ-CG2 3.75Å; E71-T75 WeakPolarHBondContact O-CB 3.45Å; E71-T75 PolarHBondContact O-N 3.42Å; E71-T75 PolarHBondContact O-OG1 2.92Å; Y72-T75 PolarHBondContact O-N 3.1Å; T73-T75 VanDerWaalsContact C-N 3.33Å; T73-T75 PolarHBondContact O-N 3.24Å; T75-K78 PolarHBondContact O-N 2.96Å; T75-M79 HydrophobicContact CG2-CE 3.27Å; T75-M79 HydrophobicContact CG2-SD 3.94Å; T75-M79 WeakPolarHBondContact O-CG 3.37Å; T75-M79 PolarHBondContact O-N 3.45Å; T75-M79 VanDerWaalsContact O-N 3.12Å; T75-M79 VanDerWaalsContact O-SD 3.41Å |
| 76 | M | 80.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.6 | -71.7 | 176.8 | -175.5 | 0 | 0 | 112.1 | F13 F17 L49 L53 Y72 T73 K78 M79 F80 I96 | F13-M76 HydrophobicContact CE1-CE 4.07Å; F13-M76 HydrophobicContact CE1-CG 4.02Å; F13-M76 HydrophobicContact CZ-CE 4.3Å; F13-M76 HydrophobicContact CZ-CG 4.44Å; F17-M76 HydrophobicContact CD1-CE 3.79Å; F17-M76 HydrophobicContact CD2-CE 3.74Å; F17-M76 HydrophobicContact CE1-CE 3.67Å; F17-M76 HydrophobicContact CE2-CE 3.63Å; F17-M76 HydrophobicContact CG-CE 3.82Å; F17-M76 HydrophobicContact CZ-CE 3.6Å; L49-M76 HydrophobicContact CD2-CB 4.12Å; L53-M76 HydrophobicContact CD1-SD 3.96Å; L53-M76 HydrophobicContact CD2-CE 3.87Å; L53-M76 HydrophobicContact CD2-SD 3.89Å; L53-M76 HydrophobicContact CG-SD 4.44Å; Y72-M76 WeakPolarHBondContact O-CB 3.42Å; Y72-M76 VanDerWaalsContact O-CG 3.26Å; Y72-M76 WeakPolarHBondContact O-CG 3.39Å; Y72-M76 PolarHBondContact O-N 3.03Å; T73-M76 PolarHBondContact O-N 3.15Å; M76-K78 PolarHBondContact O-N 2.84Å; M76-M79 PolarHBondContact O-N 3.36Å; M76-F80 WeakPolarHBondContact O-CD2 3.42Å; M76-F80 PolarHBondContact O-N 3.41Å; M76-I96 HydrophobicContact CB-CD1 4.16Å; M76-I96 HydrophobicContact CE-CG2 3.8Å; M76-I96 HydrophobicContact CG-CD1 4.44Å; M76-I96 HydrophobicContact CG-CG2 4.26Å; M76-I96 HydrophobicContact SD-CG2 3.65Å |
| 77 | M | 83.3 | Confident | 81.3 | Confident | 20 Ų | 20 | 79 Ų | 79 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 174.4 | -69.8 | -58.3 | -68.2 | 0 | 0 | 110.9 | A46 L49 T73 E74 M79 F80 D81 G86 L88 | A46-M77 HydrophobicContact CB-CE 4.14Å; A46-M77 HydrophobicContact CB-CG 4.18Å; A46-M77 HydrophobicContact CB-SD 4.23Å; L49-M77 HydrophobicContact CD2-CG 4.05Å; L49-M77 HydrophobicContact CD2-SD 3.88Å; T73-M77 WeakPolarHBondContact O-CB 3.48Å; T73-M77 VanDerWaalsContact O-CG 3.27Å; T73-M77 WeakPolarHBondContact O-CG 3.36Å; T73-M77 PolarHBondContact O-N 3.14Å; E74-M77 PolarHBondContact O-N 2.97Å; M77-M79 PolarHBondContact O-N 3.29Å; M77-M79 VanDerWaalsContact O-N 3.15Å; M77-F80 PolarHBondContact O-N 2.93Å; M77-D81 HydrophobicContact CE-CB 3.78Å; M77-D81 WeakPolarHBondContact CE-OD2 3.33Å; M77-D81 WeakPolarHBondContact O-CA 3.48Å; M77-D81 WeakPolarHBondContact O-CB 3.34Å; M77-D81 PolarHBondContact O-N 3.48Å; M77-G86 VanDerWaalsContact CE-CA 3.48Å; M77-G86 WeakPolarHBondContact CE-O 3.38Å; M77-L88 HydrophobicContact SD-CD1 3.85Å; M77-L88 HydrophobicContact SD-CD2 4.01Å; M77-L88 HydrophobicContact SD-CG 3.63Å |
| 78 | K | 83.2 | Confident | 81.3 | Confident | 156 Ų | 156 | 71.5 Ų | 71.5 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -59.5 | -30.7 | 179.6 | -75.8 | 169.1 | -170.6 | 154.4 | 0 | 113.6 | E74 T75 M76 | E74-K78 WeakPolarHBondContact O-CB 3.33Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.48Å; E74-K78 PolarHBondContact O-N 3.29Å; E74-K78 IonicContact OE2-NZ 2.87Å; E74-K78 PolarHBondContact OE2-NZ 2.88Å; T75-K78 PolarHBondContact O-N 2.96Å; M76-K78 PolarHBondContact O-N 2.84Å |
| 79 | M | 76.7 | Confident | 81.4 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -83.6 | -40.8 | -179.4 | -70.3 | 161.6 | 173.9 | 0 | 0 | 113.6 | E10 F13 L14 T75 M76 M77 | E10-M79 HydrophobicContact CB-CE 3.23Å; E10-M79 HydrophobicContact CB-CG 4.1Å; E10-M79 HydrophobicContact CB-SD 4.23Å; E10-M79 HydrophobicContact CG-CE 3.58Å; E10-M79 HydrophobicContact CG-CG 3.99Å; E10-M79 WeakPolarHBondContact O-CE 3.49Å; F13-M79 HydrophobicContact CB-CE 4.25Å; F13-M79 HydrophobicContact CD1-CE 3.76Å; F13-M79 HydrophobicContact CD1-SD 4.3Å; F13-M79 HydrophobicContact CE1-CE 4.41Å; F13-M79 HydrophobicContact CG-CE 4.26Å; L14-M79 HydrophobicContact CD1-SD 4.44Å; L14-M79 HydrophobicContact CG-SD 4.39Å; T75-M79 HydrophobicContact CG2-CE 3.27Å; T75-M79 HydrophobicContact CG2-SD 3.94Å; T75-M79 WeakPolarHBondContact O-CG 3.37Å; T75-M79 PolarHBondContact O-N 3.45Å; T75-M79 VanDerWaalsContact O-N 3.12Å; T75-M79 VanDerWaalsContact O-SD 3.41Å; M76-M79 PolarHBondContact O-N 3.36Å; M77-M79 PolarHBondContact O-N 3.29Å; M77-M79 VanDerWaalsContact O-N 3.15Å |
| 80 | F | 77.6 | Confident | 81.1 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -108.4 | -30.5 | -166.9 | -68.8 | -87 | 0 | 0 | 0 | 113.6 | L14 M76 M77 K82 L88 D92 R95 I96 | L14-F80 HydrophobicContact CD1-CE2 3.81Å; L14-F80 HydrophobicContact CD1-CZ 3.61Å; L14-F80 HydrophobicContact CD2-CE2 3.96Å; L14-F80 HydrophobicContact CD2-CZ 4.23Å; L14-F80 HydrophobicContact CG-CE2 4.42Å; M76-F80 WeakPolarHBondContact O-CD2 3.42Å; M76-F80 PolarHBondContact O-N 3.41Å; M77-F80 PolarHBondContact O-N 2.93Å; F80-K82 PolarHBondContact O-N 2.76Å; F80-L88 HydrophobicContact CB-CD2 3.65Å; F80-D92 HydrophobicContact CB-CB 4.09Å; F80-D92 HydrophobicContact CD1-CB 4.42Å; F80-R95 HydrophobicContact CD1-CB 4.34Å; F80-R95 HydrophobicContact CE1-CB 3.65Å; F80-R95 HydrophobicContact CZ-CB 4.5Å; F80-I96 HydrophobicContact CB-CD1 4.18Å; F80-I96 HydrophobicContact CB-CG1 4.49Å; F80-I96 HydrophobicContact CD1-CD1 4.46Å; F80-I96 HydrophobicContact CD1-CG1 3.94Å; F80-I96 HydrophobicContact CD2-CD1 3.67Å; F80-I96 HydrophobicContact CD2-CG1 3.26Å; F80-I96 HydrophobicContact CE1-CG1 3.93Å; F80-I96 HydrophobicContact CE2-CB 4.35Å; F80-I96 HydrophobicContact CE2-CD1 4.2Å; F80-I96 HydrophobicContact CE2-CG1 3.27Å; F80-I96 HydrophobicContact CG-CD1 3.84Å; F80-I96 HydrophobicContact CG-CG1 3.63Å; F80-I96 HydrophobicContact CZ-CB 4.42Å; F80-I96 HydrophobicContact CZ-CG1 3.6Å |
| 81 | D | 80.8 | Confident | 80.6 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | trans | -76.8 | 72.7 | 172.9 | 179.4 | 11.3 | 0 | 0 | 0 | 110.1 | M77 N83 R84 D85 G86 L88 | M77-D81 HydrophobicContact CE-CB 3.78Å; M77-D81 WeakPolarHBondContact CE-OD2 3.33Å; M77-D81 WeakPolarHBondContact O-CA 3.48Å; M77-D81 WeakPolarHBondContact O-CB 3.34Å; M77-D81 PolarHBondContact O-N 3.48Å; D81-N83 VanDerWaalsContact C-N 3.31Å; D81-N83 PolarHBondContact O-N 3.09Å; D81-N83 PolarHBondContact OD1-OD1 3.32Å; D81-R84 VanDerWaalsContact CG-CA 3.47Å; D81-R84 PolarHBondContact O-N 2.83Å; D81-R84 WeakPolarHBondContact OD1-CA 3.29Å; D81-R84 PolarHBondContact OD1-N 3.38Å; D81-R84 WeakPolarHBondContact OD2-CA 3.31Å; D81-D85 PolarHBondContact OD1-N 2.88Å; D81-D85 PolarHBondContact OD2-N 3.29Å; D81-G86 VanDerWaalsContact OD2-CA 3.24Å; D81-G86 WeakPolarHBondContact OD2-CA 3.48Å; D81-G86 PolarHBondContact OD2-N 2.68Å; D81-L88 HydrophobicContact CB-CD2 3.95Å | ||
| 82 | K | 72.4 | Confident | 80.4 | Confident | 181 Ų | 181 | 59.9 Ų | 59.9 | 79% | 0.787 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.6 | -176.6 | -67.4 | -174.2 | -178.6 | 178.5 | 0 | 112.8 | F80 R84 | F80-K82 PolarHBondContact O-N 2.76Å; K82-R84 VanDerWaalsContact C-N 3.31Å |
| 83 | N | 75.8 | Confident | 80.2 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9.1 | 176.8 | 54.6 | -26.3 | 0 | 0 | 0 | 112.7 | D81 D85 | D81-N83 VanDerWaalsContact C-N 3.31Å; D81-N83 PolarHBondContact O-N 3.09Å; D81-N83 PolarHBondContact OD1-OD1 3.32Å; N83-D85 PolarHBondContact ND2-OD2 2.72Å; N83-D85 PolarHBondContact O-N 3.27Å |
| 84 | R | 77.9 | Confident | 79.6 | Confident | 222 Ų | 222 | 58.5 Ų | 58.5 | 84% | 0.838 | 27% | 0.274 | S | S | * | . | trans | 54.8 | 34.7 | 179 | -59.6 | -175.9 | 179.2 | 179.4 | -0.3 | 112.5 | D81 K82 G86 | D81-R84 VanDerWaalsContact CG-CA 3.47Å; D81-R84 PolarHBondContact O-N 2.83Å; D81-R84 WeakPolarHBondContact OD1-CA 3.29Å; D81-R84 PolarHBondContact OD1-N 3.38Å; D81-R84 WeakPolarHBondContact OD2-CA 3.31Å; K82-R84 VanDerWaalsContact C-N 3.31Å; R84-G86 VanDerWaalsContact C-N 3.26Å | ||
| 85 | D | 79.8 | Confident | 79.1 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -87.8 | -0.8 | 178.3 | 73.7 | -7 | 0 | 0 | 0 | 112.2 | D81 N83 R87 | D81-D85 PolarHBondContact OD1-N 2.88Å; D81-D85 PolarHBondContact OD2-N 3.29Å; N83-D85 PolarHBondContact ND2-OD2 2.72Å; N83-D85 PolarHBondContact O-N 3.27Å; D85-R87 VanDerWaalsContact C-N 3.3Å; D85-R87 WeakPolarHBondContact OD1-CA 3.35Å; D85-R87 VanDerWaalsContact OD1-CB 3.29Å; D85-R87 WeakPolarHBondContact OD1-CB 3.39Å; D85-R87 PolarHBondContact OD1-N 3.34Å |
| 86 | G | 82.3 | Confident | 78.7 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 78 | 15.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S45 A46 M77 D81 R84 | S45-G86 WeakPolarHBondContact CA-O 3.02Å; A46-G86 PolarHBondContact N-O 3.19Å; M77-G86 VanDerWaalsContact CE-CA 3.48Å; M77-G86 WeakPolarHBondContact CE-O 3.38Å; D81-G86 VanDerWaalsContact OD2-CA 3.24Å; D81-G86 WeakPolarHBondContact OD2-CA 3.48Å; D81-G86 PolarHBondContact OD2-N 2.68Å; R84-G86 VanDerWaalsContact C-N 3.26Å |
| 87 | R | 85.3 | Confident | 78.1 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.1 | -176 | -55.8 | 178.3 | -179.4 | -158.8 | -5.5 | 111.1 | Y43 I44 D85 | Y43-R87 HydrophobicContact CD1-CB 4.3Å; I44-R87 CarbonylContact O-C 3.6Å; I44-R87 WeakPolarHBondContact O-CA 3.38Å; D85-R87 VanDerWaalsContact C-N 3.3Å; D85-R87 WeakPolarHBondContact OD1-CA 3.35Å; D85-R87 VanDerWaalsContact OD1-CB 3.29Å; D85-R87 WeakPolarHBondContact OD1-CB 3.39Å; D85-R87 PolarHBondContact OD1-N 3.34Å |
| 88 | L | 83.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132 | 172.2 | -63.2 | -179.6 | 0 | 0 | 0 | 109.3 | Y43 I44 L49 M77 F80 D81 D92 M93 I96 | Y43-L88 CarbonylContact C-O 3.5Å; Y43-L88 WeakPolarHBondContact CA-O 3.45Å; I44-L88 PolarHBondContact N-O 3.11Å; I44-L88 PolarHBondContact O-N 2.88Å; L49-L88 HydrophobicContact CD1-CD1 4.19Å; L49-L88 HydrophobicContact CD2-CD1 3.61Å; L49-L88 HydrophobicContact CG-CD1 4.45Å; M77-L88 HydrophobicContact SD-CD1 3.85Å; M77-L88 HydrophobicContact SD-CD2 4.01Å; M77-L88 HydrophobicContact SD-CG 3.63Å; F80-L88 HydrophobicContact CB-CD2 3.65Å; D81-L88 HydrophobicContact CB-CD2 3.95Å; L88-D92 HydrophobicContact CB-CB 4.15Å; L88-D92 HydrophobicContact CD2-CB 4.15Å; L88-M93 HydrophobicContact CB-CG 4.16Å; L88-M93 HydrophobicContact CD1-CG 4.39Å; L88-M93 HydrophobicContact CD1-SD 3.94Å; L88-I96 HydrophobicContact CD1-CD1 3.66Å |
| 89 | D | 82.9 | Confident | 76.1 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 173.2 | 173.3 | 79.9 | 30.5 | 0 | 0 | 0 | 111.9 | Y43 N91 D92 M93 | Y43-D89 HydrophobicContact CD1-CB 4.18Å; Y43-D89 HydrophobicContact CE1-CB 4.2Å; D89-N91 PolarHBondContact O-N 3.26Å; D89-N91 VanDerWaalsContact OD1-CA 3.29Å; D89-N91 WeakPolarHBondContact OD1-CA 3.44Å; D89-N91 VanDerWaalsContact OD1-CB 3.25Å; D89-N91 WeakPolarHBondContact OD1-CB 3.04Å; D89-N91 PolarHBondContact OD1-N 3.27Å; D89-N91 PolarHBondContact OD1-ND2 3.43Å; D89-D92 PolarHBondContact N-OD2 3.3Å; D89-D92 WeakPolarHBondContact O-CB 3.17Å; D89-D92 PolarHBondContact O-N 3.16Å; D89-D92 PolarHBondContact OD1-N 3.42Å; D89-M93 PolarHBondContact O-N 3.33Å; D89-M93 VanDerWaalsContact O-N 3.1Å |
| 90 | L | 77.4 | Confident | 74.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.7 | -38.2 | 179 | -174.2 | 73.2 | 0 | 0 | 0 | 113 | F29 M30 W33 A94 L161 | F29-L90 HydrophobicContact CE1-CD1 3.65Å; F29-L90 HydrophobicContact CE1-CG 4.42Å; F29-L90 HydrophobicContact CZ-CD1 3.85Å; M30-L90 HydrophobicContact CE-CD1 4.46Å; M30-L90 HydrophobicContact SD-CD1 3.96Å; W33-L90 HydrophobicContact CD2-CD1 3.47Å; W33-L90 VanDerWaalsContact CD2-CD1 3.47Å; W33-L90 HydrophobicContact CE3-CD1 3.8Å; W33-L90 HydrophobicContact CG-CD1 3.9Å; W33-L90 VanDerWaalsContact CH2-CA 3.48Å; W33-L90 HydrophobicContact CH2-CB 4.09Å; W33-L90 HydrophobicContact CH2-CD1 4.27Å; W33-L90 HydrophobicContact CZ2-CB 4.09Å; W33-L90 HydrophobicContact CZ2-CD1 3.96Å; W33-L90 HydrophobicContact CZ3-CB 4.48Å; W33-L90 HydrophobicContact CZ3-CD1 4.17Å; L90-A94 WeakPolarHBondContact O-CB 3.28Å; L90-A94 PolarHBondContact O-N 3.43Å; L90-L161 HydrophobicContact CD2-CB 4.41Å; L90-L161 HydrophobicContact CD2-CD2 3.87Å |
| 91 | N | 74.3 | Confident | 73.7 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.1 | -38.6 | -179.7 | -55.2 | -76.8 | 0 | 0 | 0 | 111.2 | D89 M93 A94 R95 S155 I156 | D89-N91 PolarHBondContact O-N 3.26Å; D89-N91 VanDerWaalsContact OD1-CA 3.29Å; D89-N91 WeakPolarHBondContact OD1-CA 3.44Å; D89-N91 VanDerWaalsContact OD1-CB 3.25Å; D89-N91 WeakPolarHBondContact OD1-CB 3.04Å; D89-N91 PolarHBondContact OD1-N 3.27Å; D89-N91 PolarHBondContact OD1-ND2 3.43Å; N91-M93 VanDerWaalsContact C-N 3.31Å; N91-M93 PolarHBondContact O-N 3.11Å; N91-A94 PolarHBondContact O-N 3.4Å; N91-R95 WeakPolarHBondContact O-CB 3.23Å; N91-R95 VanDerWaalsContact O-CG 3.26Å; N91-R95 WeakPolarHBondContact O-CG 3.37Å; N91-R95 PolarHBondContact O-N 2.91Å; N91-S155 WeakPolarHBondContact OD1-CA 3.38Å; N91-I156 PolarHBondContact ND2-O 3.2Å; N91-I156 PolarHBondContact OD1-N 2.85Å; N91-I156 VanDerWaalsContact OD1-N 3.1Å; N91-I156 PolarHBondContact OD1-O 3.29Å |
| 92 | D | 80.4 | Confident | 72.5 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.9 | -68.4 | -36.7 | 0 | 0 | 0 | 110.2 | F80 L88 D89 R95 I96 | F80-D92 HydrophobicContact CB-CB 4.09Å; F80-D92 HydrophobicContact CD1-CB 4.42Å; L88-D92 HydrophobicContact CB-CB 4.15Å; L88-D92 HydrophobicContact CD2-CB 4.15Å; D89-D92 PolarHBondContact N-OD2 3.3Å; D89-D92 WeakPolarHBondContact O-CB 3.17Å; D89-D92 PolarHBondContact O-N 3.16Å; D89-D92 PolarHBondContact OD1-N 3.42Å; D92-R95 PolarHBondContact O-N 3.45Å; D92-I96 WeakPolarHBondContact O-CG1 3.32Å; D92-I96 PolarHBondContact O-N 2.89Å |
| 93 | M | 77.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 176.7 | -77.5 | -67 | -77.3 | 0 | 0 | 113.2 | F29 W33 I44 L49 F52 L88 D89 N91 R95 I96 L97 | F29-M93 HydrophobicContact CE2-CB 3.97Å; F29-M93 HydrophobicContact CZ-CB 4.07Å; W33-M93 HydrophobicContact CE3-CB 4.06Å; W33-M93 HydrophobicContact CE3-CG 4.25Å; W33-M93 HydrophobicContact CZ3-CB 3.69Å; W33-M93 HydrophobicContact CZ3-CG 3.63Å; I44-M93 HydrophobicContact CD1-CE 4.4Å; L49-M93 HydrophobicContact CD1-CE 3.73Å; L49-M93 HydrophobicContact CD1-SD 3.5Å; L49-M93 WeakPolarHBondContact CD1-SD 3.47Å; F52-M93 HydrophobicContact CD1-CE 3.5Å; F52-M93 VanDerWaalsContact CD1-CE 3.5Å; F52-M93 HydrophobicContact CD2-CE 3.83Å; F52-M93 HydrophobicContact CE1-CE 3.5Å; F52-M93 HydrophobicContact CE2-CE 3.83Å; F52-M93 HydrophobicContact CG-CE 3.71Å; F52-M93 HydrophobicContact CZ-CE 3.7Å; L88-M93 HydrophobicContact CB-CG 4.16Å; L88-M93 HydrophobicContact CD1-CG 4.39Å; L88-M93 HydrophobicContact CD1-SD 3.94Å; D89-M93 PolarHBondContact O-N 3.33Å; D89-M93 VanDerWaalsContact O-N 3.1Å; N91-M93 VanDerWaalsContact C-N 3.31Å; N91-M93 PolarHBondContact O-N 3.11Å; M93-R95 VanDerWaalsContact C-N 3.26Å; M93-R95 PolarHBondContact O-N 3.46Å; M93-I96 PolarHBondContact O-N 3.46Å; M93-I96 HydrophobicContact SD-CD1 3.75Å; M93-L97 WeakPolarHBondContact O-CG 3.4Å; M93-L97 PolarHBondContact O-N 2.9Å; M93-L97 VanDerWaalsContact O-N 3.11Å |
| 94 | A | 73.3 | Confident | 71.2 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -36.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F29 L90 N91 A98 L99 | F29-A94 HydrophobicContact CZ-CB 4.37Å; L90-A94 WeakPolarHBondContact O-CB 3.28Å; L90-A94 PolarHBondContact O-N 3.43Å; N91-A94 PolarHBondContact O-N 3.4Å; A94-A98 PolarHBondContact O-N 2.94Å; A94-L99 HydrophobicContact CB-CD1 3.91Å; A94-L99 PolarHBondContact O-N 3.1Å |
| 95 | R | 74 | Confident | 70.2 | Confident | 157 Ų | 157 | 45.6 Ų | 45.6 | 59% | 0.592 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -74.1 | -39.4 | 176 | -72.1 | 172.4 | -175.9 | -110.6 | 0 | 112.9 | R18 F80 N91 D92 M93 L97 A98 | R18-R95 PolarHBondContact NH2-O 3.49Å; F80-R95 HydrophobicContact CD1-CB 4.34Å; F80-R95 HydrophobicContact CE1-CB 3.65Å; F80-R95 HydrophobicContact CZ-CB 4.5Å; N91-R95 WeakPolarHBondContact O-CB 3.23Å; N91-R95 VanDerWaalsContact O-CG 3.26Å; N91-R95 WeakPolarHBondContact O-CG 3.37Å; N91-R95 PolarHBondContact O-N 2.91Å; D92-R95 PolarHBondContact O-N 3.45Å; M93-R95 VanDerWaalsContact C-N 3.26Å; M93-R95 PolarHBondContact O-N 3.46Å; R95-L97 VanDerWaalsContact C-N 3.28Å; R95-L97 PolarHBondContact O-N 3.19Å; R95-A98 PolarHBondContact O-N 2.96Å |
| 96 | I | 73.3 | Confident | 69.2 | Low | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.5 | -51.1 | 174.8 | -75.4 | 163 | 0 | 0 | 0 | 109.3 | L14 F17 R18 M76 F80 L88 D92 M93 A98 | L14-I96 HydrophobicContact CD2-CG2 4.37Å; F17-I96 HydrophobicContact CE1-CG2 4.25Å; R18-I96 PolarHBondContact NE-O 2.77Å; M76-I96 HydrophobicContact CB-CD1 4.16Å; M76-I96 HydrophobicContact CE-CG2 3.8Å; M76-I96 HydrophobicContact CG-CD1 4.44Å; M76-I96 HydrophobicContact CG-CG2 4.26Å; M76-I96 HydrophobicContact SD-CG2 3.65Å; F80-I96 HydrophobicContact CB-CD1 4.18Å; F80-I96 HydrophobicContact CB-CG1 4.49Å; F80-I96 HydrophobicContact CD1-CD1 4.46Å; F80-I96 HydrophobicContact CD1-CG1 3.94Å; F80-I96 HydrophobicContact CD2-CD1 3.67Å; F80-I96 HydrophobicContact CD2-CG1 3.26Å; F80-I96 HydrophobicContact CE1-CG1 3.93Å; F80-I96 HydrophobicContact CE2-CB 4.35Å; F80-I96 HydrophobicContact CE2-CD1 4.2Å; F80-I96 HydrophobicContact CE2-CG1 3.27Å; F80-I96 HydrophobicContact CG-CD1 3.84Å; F80-I96 HydrophobicContact CG-CG1 3.63Å; F80-I96 HydrophobicContact CZ-CB 4.42Å; F80-I96 HydrophobicContact CZ-CG1 3.6Å; L88-I96 HydrophobicContact CD1-CD1 3.66Å; D92-I96 WeakPolarHBondContact O-CG1 3.32Å; D92-I96 PolarHBondContact O-N 2.89Å; M93-I96 PolarHBondContact O-N 3.46Å; M93-I96 HydrophobicContact SD-CD1 3.75Å; I96-A98 PolarHBondContact O-N 3.28Å |
| 97 | L | 68.9 | Low | 68 | Low | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -8.1 | -174.7 | -61.3 | 163.6 | 0 | 0 | 0 | 112.9 | F17 L23 F29 F52 L56 M93 R95 L99 | F17-L97 HydrophobicContact CE1-CD2 3.78Å; F17-L97 HydrophobicContact CZ-CD2 4.23Å; L23-L97 HydrophobicContact CD1-CB 4.07Å; L23-L97 HydrophobicContact CD1-CD1 3.71Å; L23-L97 HydrophobicContact CD1-CD2 3.64Å; L23-L97 HydrophobicContact CD1-CG 3.98Å; F29-L97 HydrophobicContact CD2-CD1 3.35Å; F29-L97 HydrophobicContact CE2-CD1 3.5Å; F52-L97 HydrophobicContact CE1-CD1 4.15Å; F52-L97 HydrophobicContact CE1-CD2 3.99Å; F52-L97 HydrophobicContact CZ-CD1 3.6Å; F52-L97 HydrophobicContact CZ-CD2 4.15Å; F52-L97 HydrophobicContact CZ-CG 4.46Å; L56-L97 HydrophobicContact CD2-CD2 3.93Å; M93-L97 WeakPolarHBondContact O-CG 3.4Å; M93-L97 PolarHBondContact O-N 2.9Å; M93-L97 VanDerWaalsContact O-N 3.11Å; R95-L97 VanDerWaalsContact C-N 3.28Å; R95-L97 PolarHBondContact O-N 3.19Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.42Å |
| 98 | A | 63 | Low | 66.4 | Low | 22 Ų | 22 | 48.2 Ų | 48.2 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 39.4 | 63.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R18 A94 R95 I96 N100 | R18-A98 HydrophobicContact CG-CB 4.14Å; A94-A98 PolarHBondContact O-N 2.94Å; R95-A98 PolarHBondContact O-N 2.96Å; I96-A98 PolarHBondContact O-N 3.28Å; A98-N100 PolarHBondContact O-N 3.35Å |
| 99 | L | 60 | Low | 64.7 | Low | 34 Ų | 34 | 53.7 Ų | 53.7 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | trans | -57.5 | 87.7 | 159.9 | -71.7 | 167.9 | 0 | 0 | 0 | 106.6 | F29 A94 L97 E101 | F29-L99 HydrophobicContact CB-CD1 3.83Å; F29-L99 HydrophobicContact CB-CD2 3.98Å; F29-L99 HydrophobicContact CB-CG 4.47Å; F29-L99 HydrophobicContact CD1-CD1 3.46Å; F29-L99 VanDerWaalsContact CD1-CD1 3.46Å; F29-L99 HydrophobicContact CD2-CD1 3.93Å; F29-L99 HydrophobicContact CE1-CD1 3.91Å; F29-L99 HydrophobicContact CE2-CD1 4.33Å; F29-L99 HydrophobicContact CG-CD1 3.45Å; F29-L99 VanDerWaalsContact CG-CD1 3.45Å; F29-L99 HydrophobicContact CG-CD2 4.48Å; F29-L99 HydrophobicContact CG-CG 4.44Å; F29-L99 HydrophobicContact CZ-CD1 4.32Å; A94-L99 HydrophobicContact CB-CD1 3.91Å; A94-L99 PolarHBondContact O-N 3.1Å; L97-L99 VanDerWaalsContact C-N 3.3Å; L97-L99 PolarHBondContact O-N 3.42Å; L99-E101 PolarHBondContact O-N 3.5Å; L99-E101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | N | 50 | Low | 63 | Low | 141 Ų | 141 | 57.8 Ų | 57.8 | 75% | 0.754 | 29% | 0.286 | S | S | * | . | trans | -76 | 109.1 | -175.3 | -104.7 | -15.7 | 0 | 0 | 0 | 105.3 | A98 | A98-N100 PolarHBondContact O-N 3.35Š| ||
| 101 | E | 54.8 | Low | 61.9 | Low | 130 Ų | 130 | 59.7 Ų | 59.7 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 73.3 | 107 | 171.6 | -49.9 | -177.9 | 144.8 | 0 | 0 | 114.2 | L99 F103 K106 | L99-E101 PolarHBondContact O-N 3.5Å; L99-E101 VanDerWaalsContact O-N 3.16Å; E101-F103 PolarHBondContact O-N 3.22Å; E101-K106 WeakPolarHBondContact OE2-CE 3.34Å; E101-K106 IonicContact OE2-NZ 2.7Å; E101-K106 PolarHBondContact OE2-NZ 2.89Å |
| 102 | N | 55.7 | Low | 60.8 | Low | 10 Ų | 10 | 65.1 Ų | 65.1 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | trans | -43.3 | 116.7 | 155.5 | 172 | -21.8 | 0 | 0 | 0 | 108.8 | L104 L105 D147 E150 | N102-L104 PolarHBondContact O-N 2.73Å; N102-L104 VanDerWaalsContact O-N 3.14Å; N102-L104 WeakPolarHBondContact OD1-CA 3.28Å; N102-L104 VanDerWaalsContact OD1-CB 3.26Å; N102-L104 WeakPolarHBondContact OD1-CB 3.48Å; N102-L104 PolarHBondContact OD1-N 3.24Å; N102-L105 HydrophobicContact CB-CD1 3.76Å; N102-L105 HydrophobicContact CB-CG 3.86Å; N102-L105 VanDerWaalsContact O-CB 3.3Å; N102-L105 WeakPolarHBondContact O-CB 3.29Å; N102-L105 PolarHBondContact O-N 3.04Å; N102-D147 WeakPolarHBondContact CA-OD2 3.32Å; N102-D147 PolarHBondContact ND2-O 3.29Å; N102-D147 VanDerWaalsContact OD1-CB 3.28Å; N102-D147 WeakPolarHBondContact OD1-CB 3.45Å; N102-D147 PolarHBondContact OD1-OD2 2.77Å; N102-E150 WeakPolarHBondContact CB-OE2 3.34Å; N102-E150 WeakPolarHBondContact ND2-CB 3.3Å | ||
| 103 | F | 63.8 | Low | 59.9 | Low | 33 Ų | 33 | 66 Ų | 66 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -58.6 | -32.7 | -172.6 | 176.2 | -93.1 | 0 | 0 | 0 | 110.9 | E101 L105 K106 F107 I124 H127 Y128 D147 | E101-F103 PolarHBondContact O-N 3.22Å; F103-L105 VanDerWaalsContact C-N 3.28Å; F103-L105 PolarHBondContact O-N 2.88Å; F103-K106 WeakPolarHBondContact O-CB 3.43Å; F103-K106 PolarHBondContact O-N 3.29Å; F103-F107 HydrophobicContact CD1-CD2 4.33Å; F103-F107 AromaticContact CD1-CE2 3.85Å; F103-F107 HydrophobicContact CD1-CE2 3.85Å; F103-F107 HydrophobicContact CE1-CD2 4.04Å; F103-F107 AromaticContact CE1-CE2 3.23Å; F103-F107 HydrophobicContact CE1-CE2 3.23Å; F103-F107 AromaticContact CE1-CZ 3.91Å; F103-F107 HydrophobicContact CE1-CZ 3.91Å; F103-F107 HydrophobicContact CE2-CE2 4.13Å; F103-F107 HydrophobicContact CG-CE2 4.5Å; F103-F107 AromaticContact CZ-CE2 3.42Å; F103-F107 HydrophobicContact CZ-CE2 3.42Å; F103-F107 VanDerWaalsContact CZ-CE2 3.42Å; F103-F107 AromaticContact CZ-CZ 3.78Å; F103-F107 HydrophobicContact CZ-CZ 3.78Å; F103-F107 WeakPolarHBondContact O-CD2 3.29Å; F103-I124 HydrophobicContact CD1-CG1 4.28Å; F103-I124 HydrophobicContact CE1-CB 4.32Å; F103-I124 HydrophobicContact CE1-CG1 3.78Å; F103-H127 HydrophobicContact CD1-CB 4.41Å; F103-H127 AromaticContact CD1-CD2 3.86Å; F103-H127 AromaticContact CD2-CD2 3.63Å; F103-H127 AromaticContact CD2-CE1 3.8Å; F103-H127 AromaticContact CD2-CG 3.88Å; F103-H127 AromaticContact CD2-ND1 3.97Å; F103-H127 AromaticContact CD2-NE2 3.58Å; F103-H127 HydrophobicContact CE1-CB 3.83Å; F103-H127 AromaticContact CE1-CG 3.98Å; F103-H127 HydrophobicContact CE2-CB 4.14Å; F103-H127 AromaticContact CE2-CD2 3.89Å; F103-H127 AromaticContact CE2-CE1 3.91Å; F103-H127 AromaticContact CE2-CG 3.62Å; F103-H127 AromaticContact CE2-ND1 3.65Å; F103-H127 AromaticContact CG-CD2 3.61Å; F103-H127 AromaticContact CG-NE2 3.85Å; F103-H127 HydrophobicContact CZ-CB 3.65Å; F103-H127 AromaticContact CZ-CG 3.67Å; F103-Y128 HydrophobicContact CD1-CE2 4.16Å; F103-D147 PolarHBondContact N-OD2 3.43Å |
| 104 | L | 57.2 | Low | 59.1 | Low | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -70.9 | -21.6 | 179.3 | -54.9 | 177 | 0 | 0 | 0 | 113.1 | N102 K106 F107 K108 I124 Y128 D147 M148 L151 | N102-L104 PolarHBondContact O-N 2.73Å; N102-L104 VanDerWaalsContact O-N 3.14Å; N102-L104 WeakPolarHBondContact OD1-CA 3.28Å; N102-L104 VanDerWaalsContact OD1-CB 3.26Å; N102-L104 WeakPolarHBondContact OD1-CB 3.48Å; N102-L104 PolarHBondContact OD1-N 3.24Å; L104-K106 PolarHBondContact O-N 2.88Å; L104-F107 PolarHBondContact O-N 3.46Å; L104-F107 VanDerWaalsContact O-N 3.08Å; L104-K108 PolarHBondContact O-N 3.37Å; L104-I124 HydrophobicContact CD2-CB 4.25Å; L104-I124 HydrophobicContact CD2-CD1 3.62Å; L104-I124 HydrophobicContact CD2-CG1 3.71Å; L104-I124 HydrophobicContact CD2-CG2 3.49Å; L104-I124 VanDerWaalsContact CD2-CG2 3.49Å; L104-Y128 HydrophobicContact CD2-CE2 4.17Å; L104-D147 VanDerWaalsContact CD1-C 3.48Å; L104-D147 HydrophobicContact CD1-CB 3.75Å; L104-D147 HydrophobicContact CG-CB 3.89Å; L104-M148 HydrophobicContact CD1-CB 3.98Å; L104-M148 VanDerWaalsContact CD1-N 3.3Å; L104-L151 HydrophobicContact CB-CD1 3.8Å; L104-L151 HydrophobicContact CB-CD2 3.96Å; L104-L151 HydrophobicContact CB-CG 4.08Å; L104-L151 HydrophobicContact CD1-CD1 3.97Å; L104-L151 HydrophobicContact CD1-CG 4.44Å |
| 105 | L | 55.9 | Low | 58.7 | Low | 82 Ų | 82 | 79.4 Ų | 79.4 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -62.3 | -27.1 | 173.5 | -70.9 | 172.9 | 0 | 0 | 0 | 111.7 | N102 F103 F107 K108 L151 | N102-L105 HydrophobicContact CB-CD1 3.76Å; N102-L105 HydrophobicContact CB-CG 3.86Å; N102-L105 VanDerWaalsContact O-CB 3.3Å; N102-L105 WeakPolarHBondContact O-CB 3.29Å; N102-L105 PolarHBondContact O-N 3.04Å; F103-L105 VanDerWaalsContact C-N 3.28Å; F103-L105 PolarHBondContact O-N 2.88Å; L105-F107 PolarHBondContact O-N 2.93Å; L105-K108 HydrophobicContact CD2-CD 4.37Å; L105-K108 PolarHBondContact O-N 2.99Å; L105-L151 HydrophobicContact CD2-CD2 3.54Å; L105-L151 HydrophobicContact CG-CD2 3.95Å |
| 106 | K | 58.6 | Low | 58.3 | Low | 113 Ų | 113 | 73.9 Ų | 73.9 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -67.6 | -17 | 176.4 | -60.5 | 177 | 179.9 | 173.3 | 0 | 113.1 | E101 F103 L104 | E101-K106 WeakPolarHBondContact OE2-CE 3.34Å; E101-K106 IonicContact OE2-NZ 2.7Å; E101-K106 PolarHBondContact OE2-NZ 2.89Å; F103-K106 WeakPolarHBondContact O-CB 3.43Å; F103-K106 PolarHBondContact O-N 3.29Å; L104-K106 PolarHBondContact O-N 2.88Å |
| 107 | F | 58 | Low | 57.9 | Low | 40 Ų | 40 | 81 Ų | 81 | 18% | 0.175 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -112.2 | -6.1 | -177.4 | -60.9 | -86.2 | 0 | 0 | 0 | 113.2 | F103 L104 L105 T109 D120 K123 I124 | F103-F107 HydrophobicContact CD1-CD2 4.33Å; F103-F107 AromaticContact CD1-CE2 3.85Å; F103-F107 HydrophobicContact CD1-CE2 3.85Å; F103-F107 HydrophobicContact CE1-CD2 4.04Å; F103-F107 AromaticContact CE1-CE2 3.23Å; F103-F107 HydrophobicContact CE1-CE2 3.23Å; F103-F107 AromaticContact CE1-CZ 3.91Å; F103-F107 HydrophobicContact CE1-CZ 3.91Å; F103-F107 HydrophobicContact CE2-CE2 4.13Å; F103-F107 HydrophobicContact CG-CE2 4.5Å; F103-F107 AromaticContact CZ-CE2 3.42Å; F103-F107 HydrophobicContact CZ-CE2 3.42Å; F103-F107 VanDerWaalsContact CZ-CE2 3.42Å; F103-F107 AromaticContact CZ-CZ 3.78Å; F103-F107 HydrophobicContact CZ-CZ 3.78Å; F103-F107 WeakPolarHBondContact O-CD2 3.29Å; L104-F107 PolarHBondContact O-N 3.46Å; L104-F107 VanDerWaalsContact O-N 3.08Å; L105-F107 PolarHBondContact O-N 2.93Å; F107-T109 VanDerWaalsContact C-N 3.3Å; F107-T109 PolarHBondContact O-N 3.38Å; F107-D120 HydrophobicContact CB-CB 4.43Å; F107-D120 HydrophobicContact CD1-CB 3.53Å; F107-D120 VanDerWaalsContact CD1-CG 3.49Å; F107-D120 HydrophobicContact CE1-CB 4.16Å; F107-D120 HydrophobicContact CG-CB 4.28Å; F107-K123 HydrophobicContact CE1-CB 4.18Å; F107-K123 HydrophobicContact CE1-CD 3.96Å; F107-K123 HydrophobicContact CZ-CB 4.08Å; F107-K123 HydrophobicContact CZ-CD 4.3Å; F107-I124 HydrophobicContact CB-CD1 4.18Å; F107-I124 HydrophobicContact CD2-CD1 4.08Å; F107-I124 HydrophobicContact CD2-CG1 3.93Å; F107-I124 HydrophobicContact CE2-CG1 4.09Å; F107-I124 HydrophobicContact CG-CD1 4.01Å; F107-I124 HydrophobicContact CG-CG1 4.26Å |
| 108 | K | 51.8 | Low | 57.9 | Low | 130 Ų | 130 | 84.6 Ų | 84.6 | 57% | 0.565 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -21.2 | -178.3 | -154.7 | -173.1 | -170.1 | 170.7 | 0 | 113 | L104 L105 L151 | L104-K108 PolarHBondContact O-N 3.37Å; L105-K108 HydrophobicContact CD2-CD 4.37Å; L105-K108 PolarHBondContact O-N 2.99Å; K108-L151 HydrophobicContact CD-CD2 4.15Å; K108-L151 PolarHBondContact NZ-O 3.23Å |
| 109 | T | 48.4 | Very low | 58.3 | Low | 116 Ų | 116 | 89.4 Ų | 89.4 | 71% | 0.712 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -19.2 | -165.3 | -24.3 | 0 | 0 | 0 | 0 | 114.6 | F107 | F107-T109 VanDerWaalsContact C-N 3.3Å; F107-T109 PolarHBondContact O-N 3.38Å |
| 110 | D | 47.5 | Very low | 58.9 | Low | 128 Ų | 128 | 88.4 Ų | 88.4 | 68% | 0.684 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | -1.9 | -165.6 | -67.6 | -44.9 | 0 | 0 | 0 | 116.5 | C112 | D110-C112 PolarHBondContact O-N 2.96Š|
| 111 | A | 52.4 | Low | 60.1 | Low | 40 Ų | 40 | 82.1 Ų | 82.1 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | trans | -83.3 | 82.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R117 | A111-R117 HydrophobicContact CB-CG 3.9Š| ||
| 112 | C | 53.3 | Low | 61.2 | Low | 134 Ų | 134 | 79.9 Ų | 79.9 | 91% | 0.905 | 40% | 0.401 | S | S | * | . | trans | -88.1 | -13.3 | 176.2 | -80 | 0 | 0 | 0 | 0 | 114.5 | D110 | D110-C112 PolarHBondContact O-N 2.96Š| ||
| 113 | S | 61.3 | Low | 62.3 | Low | 45 Ų | 45 | 84.8 Ų | 84.8 | 32% | 0.315 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -127.1 | 160.3 | -177.5 | 84.2 | 0 | 0 | 0 | 0 | 114 | E115 D116 R117 | S113-E115 VanDerWaalsContact C-N 3.33Å; S113-D116 WeakPolarHBondContact CB-OD2 3.03Å; S113-D116 PolarHBondContact O-N 3.1Å; S113-D116 WeakPolarHBondContact OG-CB 3.32Å; S113-D116 PolarHBondContact OG-N 3.47Å; S113-D116 VanDerWaalsContact OG-N 3.11Å; S113-D116 PolarHBondContact OG-OD2 2.87Å; S113-R117 WeakPolarHBondContact O-CG 3.43Å; S113-R117 PolarHBondContact O-N 3.46Å |
| 114 | L | 59.4 | Low | 62.9 | Low | 130 Ų | 130 | 84.2 Ų | 84.2 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.1 | -33 | 177.5 | -118.8 | 155.1 | 0 | 0 | 0 | 112.3 | K118 L191 | L114-K118 PolarHBondContact O-N 2.86Å; L114-L191 HydrophobicContact CD2-CD2 4.21Å |
| 115 | E | 64.8 | Low | 64.1 | Low | 163 Ų | 163 | 84 Ų | 84 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -72.2 | -38.4 | 175.4 | -71.9 | -172.6 | 121.1 | 0 | 0 | 111.9 | S113 K118 R119 | S113-E115 VanDerWaalsContact C-N 3.33Å; E115-K118 PolarHBondContact O-N 3.33Å; E115-R119 WeakPolarHBondContact O-CB 3.35Å; E115-R119 PolarHBondContact O-N 2.89Å |
| 116 | D | 66.9 | Low | 65.3 | Low | 40 Ų | 40 | 83.4 Ų | 83.4 | 21% | 0.214 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 172.8 | -66.8 | -50.8 | 0 | 0 | 0 | 110.4 | S113 K118 R119 D120 | S113-D116 WeakPolarHBondContact CB-OD2 3.03Å; S113-D116 PolarHBondContact O-N 3.1Å; S113-D116 WeakPolarHBondContact OG-CB 3.32Å; S113-D116 PolarHBondContact OG-N 3.47Å; S113-D116 VanDerWaalsContact OG-N 3.11Å; S113-D116 PolarHBondContact OG-OD2 2.87Å; D116-K118 VanDerWaalsContact C-N 3.3Å; D116-K118 PolarHBondContact O-N 3.1Å; D116-R119 PolarHBondContact O-N 3.38Å; D116-R119 IonicContact OD1-CZ 2.71Å; D116-R119 IonicContact OD1-NH1 2.98Å; D116-R119 PolarHBondContact OD1-NH1 3.43Å; D116-R119 IonicContact OD1-NH2 2.55Å; D116-R119 PolarHBondContact OD1-NH2 2.84Å; D116-D120 VanDerWaalsContact O-CB 3.28Å; D116-D120 WeakPolarHBondContact O-CB 3.42Å; D116-D120 PolarHBondContact O-N 2.88Å |
| 117 | R | 65.1 | Low | 66.4 | Low | 151 Ų | 151 | 81 Ų | 81 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.6 | -36.6 | 174.8 | -70.2 | 179 | 95.9 | 172.7 | 5.5 | 112.7 | A111 S113 F121 L191 | A111-R117 HydrophobicContact CB-CG 3.9Å; S113-R117 WeakPolarHBondContact O-CG 3.43Å; S113-R117 PolarHBondContact O-N 3.46Å; R117-F121 WeakPolarHBondContact O-CB 3.46Å; R117-F121 PolarHBondContact O-N 3.46Å; R117-L191 HydrophobicContact CB-CD2 4.06Å |
| 118 | K | 67.4 | Low | 67.4 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 176.3 | -164.2 | -176.7 | -170.4 | -176.5 | 0 | 111.4 | L114 E115 D116 E122 L193 | L114-K118 PolarHBondContact O-N 2.86Å; E115-K118 PolarHBondContact O-N 3.33Å; D116-K118 VanDerWaalsContact C-N 3.3Å; D116-K118 PolarHBondContact O-N 3.1Å; K118-E122 PolarHBondContact O-N 3.17Å; K118-L193 HydrophobicContact CG-CD2 4.48Å |
| 119 | R | 71.9 | Confident | 69 | Low | 122 Ų | 122 | 73.8 Ų | 73.8 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 176.9 | -176.3 | -172.2 | 66.9 | -132.8 | -6.9 | 111.9 | E115 D116 E122 K123 | E115-R119 WeakPolarHBondContact O-CB 3.35Å; E115-R119 PolarHBondContact O-N 2.89Å; D116-R119 PolarHBondContact O-N 3.38Å; D116-R119 IonicContact OD1-CZ 2.71Å; D116-R119 IonicContact OD1-NH1 2.98Å; D116-R119 PolarHBondContact OD1-NH1 3.43Å; D116-R119 IonicContact OD1-NH2 2.55Å; D116-R119 PolarHBondContact OD1-NH2 2.84Å; R119-E122 WeakPolarHBondContact O-CB 3.46Å; R119-E122 PolarHBondContact O-N 3.37Å; R119-K123 PolarHBondContact O-N 2.73Å; R119-K123 VanDerWaalsContact O-N 3.13Å |
| 120 | D | 72.9 | Confident | 70.5 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 179.4 | -65 | -14.3 | 0 | 0 | 0 | 110 | F107 D116 E122 K123 I124 | F107-D120 HydrophobicContact CB-CB 4.43Å; F107-D120 HydrophobicContact CD1-CB 3.53Å; F107-D120 VanDerWaalsContact CD1-CG 3.49Å; F107-D120 HydrophobicContact CE1-CB 4.16Å; F107-D120 HydrophobicContact CG-CB 4.28Å; D116-D120 VanDerWaalsContact O-CB 3.28Å; D116-D120 WeakPolarHBondContact O-CB 3.42Å; D116-D120 PolarHBondContact O-N 2.88Å; D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3Å; D120-K123 PolarHBondContact O-N 3.19Å; D120-I124 WeakPolarHBondContact O-CB 3.22Å; D120-I124 WeakPolarHBondContact O-CD1 3.2Å; D120-I124 WeakPolarHBondContact O-CG1 3.27Å; D120-I124 PolarHBondContact O-N 2.86Å |
| 121 | F | 75.8 | Confident | 71.9 | Confident | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.035 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -55.4 | -45.3 | 170.3 | 174.2 | -97.1 | 0 | 0 | 0 | 112.3 | R117 K123 I124 F125 K182 L185 A186 L189 L191 | R117-F121 WeakPolarHBondContact O-CB 3.46Å; R117-F121 PolarHBondContact O-N 3.46Å; F121-K123 VanDerWaalsContact C-N 3.35Å; F121-K123 PolarHBondContact O-N 3.2Å; F121-I124 PolarHBondContact O-N 2.93Å; F121-F125 HydrophobicContact CZ-CD2 4.15Å; F121-F125 WeakPolarHBondContact O-CB 3.48Å; F121-F125 PolarHBondContact O-N 2.74Å; F121-K182 HydrophobicContact CE1-CG 3.8Å; F121-K182 HydrophobicContact CZ-CG 4.18Å; F121-L185 HydrophobicContact CE2-CB 4.17Å; F121-L185 HydrophobicContact CE2-CD2 3.69Å; F121-L185 HydrophobicContact CE2-CG 3.79Å; F121-L185 HydrophobicContact CZ-CB 4.12Å; F121-L185 HydrophobicContact CZ-CD2 4.14Å; F121-L185 HydrophobicContact CZ-CG 4.24Å; F121-A186 HydrophobicContact CE1-CB 4.08Å; F121-A186 HydrophobicContact CZ-CB 3.95Å; F121-L189 HydrophobicContact CD2-CD1 3.78Å; F121-L189 HydrophobicContact CE2-CD1 3.74Å; F121-L191 HydrophobicContact CB-CD1 3.68Å; F121-L191 HydrophobicContact CD1-CD1 4.28Å; F121-L191 HydrophobicContact CD2-CD1 3.82Å; F121-L191 HydrophobicContact CG-CD1 3.65Å |
| 122 | E | 77.7 | Confident | 73.3 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 178.4 | -162.8 | 73.7 | -162.5 | 0 | 0 | 111.9 | K118 R119 D120 A126 K182 | K118-E122 PolarHBondContact O-N 3.17Å; R119-E122 WeakPolarHBondContact O-CB 3.46Å; R119-E122 PolarHBondContact O-N 3.37Å; D120-E122 VanDerWaalsContact C-N 3.32Å; D120-E122 PolarHBondContact O-N 3Å; E122-A126 VanDerWaalsContact O-CB 3.27Å; E122-A126 WeakPolarHBondContact O-CB 3.12Å; E122-A126 PolarHBondContact O-N 3.42Å; E122-K182 WeakPolarHBondContact OE1-CE 3.46Å; E122-K182 IonicContact OE1-NZ 2.68Å; E122-K182 PolarHBondContact OE1-NZ 2.94Å; E122-K182 WeakPolarHBondContact OE2-CE 3.45Å; E122-K182 IonicContact OE2-NZ 3.06Å; E122-K182 PolarHBondContact OE2-NZ 3.14Å |
| 123 | K | 78.1 | Confident | 74.6 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 177.6 | -73.2 | 177.2 | 178.3 | 179 | 0 | 112.1 | F107 R119 D120 F121 H127 | F107-K123 HydrophobicContact CE1-CB 4.18Å; F107-K123 HydrophobicContact CE1-CD 3.96Å; F107-K123 HydrophobicContact CZ-CB 4.08Å; F107-K123 HydrophobicContact CZ-CD 4.3Å; R119-K123 PolarHBondContact O-N 2.73Å; R119-K123 VanDerWaalsContact O-N 3.13Å; D120-K123 PolarHBondContact O-N 3.19Å; F121-K123 VanDerWaalsContact C-N 3.35Å; F121-K123 PolarHBondContact O-N 3.2Å; K123-H127 WeakPolarHBondContact O-CB 3.34Å; K123-H127 PolarHBondContact O-N 3.35Å |
| 124 | I | 77.6 | Confident | 75.6 | Confident | 20 Ų | 20 | 72.4 Ų | 72.4 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.9 | -54.9 | 175.5 | -71.6 | 163.3 | 0 | 0 | 0 | 109.7 | F103 L104 F107 D120 F121 A126 H127 Y128 F144 | F103-I124 HydrophobicContact CD1-CG1 4.28Å; F103-I124 HydrophobicContact CE1-CB 4.32Å; F103-I124 HydrophobicContact CE1-CG1 3.78Å; L104-I124 HydrophobicContact CD2-CB 4.25Å; L104-I124 HydrophobicContact CD2-CD1 3.62Å; L104-I124 HydrophobicContact CD2-CG1 3.71Å; L104-I124 HydrophobicContact CD2-CG2 3.49Å; L104-I124 VanDerWaalsContact CD2-CG2 3.49Å; F107-I124 HydrophobicContact CB-CD1 4.18Å; F107-I124 HydrophobicContact CD2-CD1 4.08Å; F107-I124 HydrophobicContact CD2-CG1 3.93Å; F107-I124 HydrophobicContact CE2-CG1 4.09Å; F107-I124 HydrophobicContact CG-CD1 4.01Å; F107-I124 HydrophobicContact CG-CG1 4.26Å; D120-I124 WeakPolarHBondContact O-CB 3.22Å; D120-I124 WeakPolarHBondContact O-CD1 3.2Å; D120-I124 WeakPolarHBondContact O-CG1 3.27Å; D120-I124 PolarHBondContact O-N 2.86Å; F121-I124 PolarHBondContact O-N 2.93Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 2.89Å; I124-H127 WeakPolarHBondContact O-CB 3.26Å; I124-H127 PolarHBondContact O-N 3.07Å; I124-Y128 HydrophobicContact CG2-CD2 3.87Å; I124-Y128 HydrophobicContact CG2-CE2 3.84Å; I124-Y128 WeakPolarHBondContact O-CD2 3.25Å; I124-Y128 PolarHBondContact O-N 2.9Å; I124-Y128 VanDerWaalsContact O-N 3.15Å; I124-F144 HydrophobicContact CG2-CD2 4.18Å; I124-F144 HydrophobicContact CG2-CE2 3.85Å |
| 125 | F | 80.6 | Confident | 76.8 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.2 | -47.1 | -179.7 | -166.1 | -84.4 | 0 | 0 | 0 | 111.5 | F121 H127 Y128 D129 L136 K182 L185 | F121-F125 HydrophobicContact CZ-CD2 4.15Å; F121-F125 WeakPolarHBondContact O-CB 3.48Å; F121-F125 PolarHBondContact O-N 2.74Å; F125-H127 PolarHBondContact O-N 3.36Å; F125-Y128 PolarHBondContact O-N 3.19Å; F125-D129 HydrophobicContact CD1-CB 4.15Å; F125-D129 HydrophobicContact CE1-CB 3.95Å; F125-D129 VanDerWaalsContact O-CB 3.3Å; F125-D129 WeakPolarHBondContact O-CB 3.34Å; F125-D129 PolarHBondContact O-N 2.97Å; F125-L136 HydrophobicContact CD2-CD1 4.24Å; F125-L136 HydrophobicContact CD2-CG 4.25Å; F125-L136 HydrophobicContact CE2-CD1 4.06Å; F125-L136 HydrophobicContact CE2-CD2 4.23Å; F125-L136 HydrophobicContact CE2-CG 3.69Å; F125-L136 HydrophobicContact CZ-CD2 4.22Å; F125-L136 HydrophobicContact CZ-CG 3.98Å; F125-K182 HydrophobicContact CD1-CB 4.35Å; F125-K182 HydrophobicContact CD1-CD 4.28Å; F125-K182 HydrophobicContact CD1-CG 4.2Å; F125-K182 HydrophobicContact CD2-CB 4.27Å; F125-K182 HydrophobicContact CD2-CG 4.14Å; F125-K182 HydrophobicContact CE1-CB 3.92Å; F125-K182 HydrophobicContact CE1-CD 4.46Å; F125-K182 HydrophobicContact CE1-CG 4.27Å; F125-K182 VanDerWaalsContact CE2-CA 3.46Å; F125-K182 HydrophobicContact CE2-CB 3.81Å; F125-K182 HydrophobicContact CE2-CG 4.19Å; F125-K182 HydrophobicContact CG-CG 4.14Å; F125-K182 HydrophobicContact CZ-CB 3.62Å; F125-K182 HydrophobicContact CZ-CG 4.26Å; F125-L185 HydrophobicContact CD2-CD2 3.91Å; F125-L185 HydrophobicContact CE2-CD2 4.23Å |
| 126 | A | 82.6 | Confident | 77.8 | Confident | 69 Ų | 69 | 58.9 Ų | 58.9 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66 | -23.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E122 I124 | E122-A126 VanDerWaalsContact O-CB 3.27Å; E122-A126 WeakPolarHBondContact O-CB 3.12Å; E122-A126 PolarHBondContact O-N 3.42Å; I124-A126 VanDerWaalsContact C-N 3.32Å; I124-A126 PolarHBondContact O-N 2.89Å |
| 127 | H | 80.2 | Confident | 78.6 | Confident | 63 Ų | 63 | 60 Ų | 60 | 29% | 0.292 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.8 | -39.1 | 174.1 | -176.3 | 73.5 | 0 | 0 | 0 | 111.7 | F103 K123 I124 F125 | F103-H127 HydrophobicContact CD1-CB 4.41Å; F103-H127 AromaticContact CD1-CD2 3.86Å; F103-H127 AromaticContact CD2-CD2 3.63Å; F103-H127 AromaticContact CD2-CE1 3.8Å; F103-H127 AromaticContact CD2-CG 3.88Å; F103-H127 AromaticContact CD2-ND1 3.97Å; F103-H127 AromaticContact CD2-NE2 3.58Å; F103-H127 HydrophobicContact CE1-CB 3.83Å; F103-H127 AromaticContact CE1-CG 3.98Å; F103-H127 HydrophobicContact CE2-CB 4.14Å; F103-H127 AromaticContact CE2-CD2 3.89Å; F103-H127 AromaticContact CE2-CE1 3.91Å; F103-H127 AromaticContact CE2-CG 3.62Å; F103-H127 AromaticContact CE2-ND1 3.65Å; F103-H127 AromaticContact CG-CD2 3.61Å; F103-H127 AromaticContact CG-NE2 3.85Å; F103-H127 HydrophobicContact CZ-CB 3.65Å; F103-H127 AromaticContact CZ-CG 3.67Å; K123-H127 WeakPolarHBondContact O-CB 3.34Å; K123-H127 PolarHBondContact O-N 3.35Å; I124-H127 WeakPolarHBondContact O-CB 3.26Å; I124-H127 PolarHBondContact O-N 3.07Å; F125-H127 PolarHBondContact O-N 3.36Å |
| 128 | Y | 80.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -83.4 | -31.7 | -179.4 | -71.1 | -74.5 | 0 | 0 | 0 | 113.5 | V27 F103 L104 I124 F125 V130 E140 G143 F144 D147 | V27-Y128 HydrophobicContact CG2-CD1 3.55Å; V27-Y128 HydrophobicContact CG2-CE1 4.19Å; F103-Y128 HydrophobicContact CD1-CE2 4.16Å; L104-Y128 HydrophobicContact CD2-CE2 4.17Å; I124-Y128 HydrophobicContact CG2-CD2 3.87Å; I124-Y128 HydrophobicContact CG2-CE2 3.84Å; I124-Y128 WeakPolarHBondContact O-CD2 3.25Å; I124-Y128 PolarHBondContact O-N 2.9Å; I124-Y128 VanDerWaalsContact O-N 3.15Å; F125-Y128 PolarHBondContact O-N 3.19Å; Y128-V130 PolarHBondContact O-N 3.09Å; Y128-E140 WeakPolarHBondContact O-CB 3.39Å; Y128-E140 VanDerWaalsContact O-CG 3.26Å; Y128-E140 WeakPolarHBondContact O-CG 3.44Å; Y128-G143 VanDerWaalsContact CE1-C 3.42Å; Y128-F144 HydrophobicContact CD1-CB 4.03Å; Y128-F144 HydrophobicContact CD2-CB 4.3Å; Y128-F144 AromaticContact CD2-CD2 3.78Å; Y128-F144 HydrophobicContact CD2-CD2 3.78Å; Y128-F144 HydrophobicContact CE1-CB 4.31Å; Y128-F144 AromaticContact CE2-CD2 3.91Å; Y128-F144 HydrophobicContact CE2-CD2 3.91Å; Y128-F144 HydrophobicContact CG-CB 4.06Å; Y128-F144 HydrophobicContact CG-CD2 4.35Å; Y128-D147 WeakPolarHBondContact OH-CB 3.26Å; Y128-D147 PolarHBondContact OH-OD2 3.2Å |
| 129 | D | 84.2 | Confident | 80 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | trans | -75.5 | 64.3 | 173.8 | -175.2 | 16.4 | 0 | 0 | 0 | 110.4 | F125 S131 K132 T133 G134 L136 | F125-D129 HydrophobicContact CD1-CB 4.15Å; F125-D129 HydrophobicContact CE1-CB 3.95Å; F125-D129 VanDerWaalsContact O-CB 3.3Å; F125-D129 WeakPolarHBondContact O-CB 3.34Å; F125-D129 PolarHBondContact O-N 2.97Å; D129-S131 PolarHBondContact O-N 2.94Å; D129-S131 PolarHBondContact OD1-OG 2.87Å; D129-K132 PolarHBondContact O-N 2.9Å; D129-K132 VanDerWaalsContact O-N 3.1Å; D129-K132 WeakPolarHBondContact OD1-CA 3.12Å; D129-K132 PolarHBondContact OD1-N 3.49Å; D129-K132 WeakPolarHBondContact OD2-CA 3.46Å; D129-T133 PolarHBondContact OD1-N 3.42Å; D129-T133 PolarHBondContact OD2-N 3.45Å; D129-G134 WeakPolarHBondContact OD2-CA 3.47Å; D129-G134 PolarHBondContact OD2-N 3.04Å; D129-L136 HydrophobicContact CB-CD2 3.88Å | ||
| 130 | V | 79.3 | Confident | 80.7 | Confident | 85 Ų | 85 | 46.9 Ų | 46.9 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -33.9 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | V27 Y128 K132 E140 | V27-V130 HydrophobicContact CB-CG2 4.25Å; V27-V130 HydrophobicContact CG1-CG2 4.05Å; V27-V130 HydrophobicContact CG2-CG2 4.31Å; Y128-V130 PolarHBondContact O-N 3.09Å; V130-K132 PolarHBondContact O-N 3.02Å; V130-E140 PolarHBondContact N-OE1 2.91Å |
| 131 | S | 78.6 | Confident | 81.2 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.6 | 174.9 | 66 | 0 | 0 | 0 | 0 | 113.4 | D129 T133 E140 | D129-S131 PolarHBondContact O-N 2.94Å; D129-S131 PolarHBondContact OD1-OG 2.87Å; S131-T133 PolarHBondContact O-N 2.64Å; S131-T133 VanDerWaalsContact OG-CG2 3.27Å; S131-T133 WeakPolarHBondContact OG-CG2 3.38Å; S131-T133 PolarHBondContact OG-OG1 3.42Å; S131-E140 WeakPolarHBondContact CB-OE1 3.36Å; S131-E140 PolarHBondContact N-OE1 3.37Å; S131-E140 PolarHBondContact OG-OE1 3.1Å; S131-E140 PolarHBondContact OG-OE2 3.06Å |
| 132 | K | 81.1 | Confident | 81.4 | Confident | 183 Ų | 183 | 46 Ų | 46 | 80% | 0.796 | 26% | 0.262 | S | S | * | . | trans | 55 | 34.4 | -175.6 | -59.2 | -176.8 | -179.4 | 179.2 | 0 | 112.5 | D129 V130 G134 | D129-K132 PolarHBondContact O-N 2.9Å; D129-K132 VanDerWaalsContact O-N 3.1Å; D129-K132 WeakPolarHBondContact OD1-CA 3.12Å; D129-K132 PolarHBondContact OD1-N 3.49Å; D129-K132 WeakPolarHBondContact OD2-CA 3.46Å; V130-K132 PolarHBondContact O-N 3.02Å; K132-G134 VanDerWaalsContact C-N 3.31Å | ||
| 133 | T | 80.7 | Confident | 81.5 | Confident | 75 Ų | 75 | 42 Ų | 42 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -84.3 | -12.1 | -179.3 | 61.6 | 0 | 0 | 0 | 0 | 112 | D129 S131 A135 | D129-T133 PolarHBondContact OD1-N 3.42Å; D129-T133 PolarHBondContact OD2-N 3.45Å; S131-T133 PolarHBondContact O-N 2.64Å; S131-T133 VanDerWaalsContact OG-CG2 3.27Å; S131-T133 WeakPolarHBondContact OG-CG2 3.38Å; S131-T133 PolarHBondContact OG-OG1 3.42Å; T133-A135 PolarHBondContact OG1-N 3.03Å; T133-A135 PolarHBondContact OG1-O 3.26Å |
| 134 | G | 81.8 | Confident | 81.7 | Confident | 37 Ų | 37 | 37 Ų | 37 | 38% | 0.381 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 79.4 | 6.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D129 K132 K182 | D129-G134 WeakPolarHBondContact OD2-CA 3.47Å; D129-G134 PolarHBondContact OD2-N 3.04Å; K132-G134 VanDerWaalsContact C-N 3.31Å; G134-K182 PolarHBondContact O-N 2.93Å |
| 135 | A | 85.4 | Confident | 82 | Confident | 9 Ų | 9 | 36 Ų | 36 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109.1 | T133 K179 I180 Q181 | T133-A135 PolarHBondContact OG1-N 3.03Å; T133-A135 PolarHBondContact OG1-O 3.26Å; A135-K179 HydrophobicContact CB-CB 3.88Å; A135-K179 HydrophobicContact CB-CD 4.26Å; A135-I180 CarbonylContact C-O 3.57Å; A135-I180 WeakPolarHBondContact CA-O 3.09Å; A135-Q181 HydrophobicContact CB-CG 4.2Å |
| 136 | L | 84.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.8 | 172.7 | -56.7 | 179.9 | 0 | 0 | 0 | 108.3 | F125 D129 E140 V141 F144 K179 I180 L185 | F125-L136 HydrophobicContact CD2-CD1 4.24Å; F125-L136 HydrophobicContact CD2-CG 4.25Å; F125-L136 HydrophobicContact CE2-CD1 4.06Å; F125-L136 HydrophobicContact CE2-CD2 4.23Å; F125-L136 HydrophobicContact CE2-CG 3.69Å; F125-L136 HydrophobicContact CZ-CD2 4.22Å; F125-L136 HydrophobicContact CZ-CG 3.98Å; D129-L136 HydrophobicContact CB-CD2 3.88Å; L136-E140 HydrophobicContact CB-CB 4.23Å; L136-E140 HydrophobicContact CD2-CB 4.2Å; L136-V141 VanDerWaalsContact C-CG2 3.46Å; L136-V141 HydrophobicContact CB-CG2 3.79Å; L136-V141 WeakPolarHBondContact O-CG2 3.25Å; L136-F144 HydrophobicContact CD1-CB 4.16Å; L136-F144 HydrophobicContact CD1-CD2 4.48Å; L136-F144 HydrophobicContact CD1-CG 4.15Å; L136-K179 WeakPolarHBondContact O-CA 3.35Å; L136-I180 HydrophobicContact CB-CB 4.44Å; L136-I180 PolarHBondContact N-O 2.79Å; L136-I180 PolarHBondContact O-N 3.31Å; L136-L185 HydrophobicContact CD1-CD2 4.13Å |
| 137 | E | 83.7 | Confident | 81.6 | Confident | 64 Ų | 64 | 32.6 Ų | 32.6 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 149.1 | 177.9 | 65.9 | -179.7 | -167.1 | 0 | 0 | 113.3 | P139 E140 K179 | E137-P139 WeakPolarHBondContact O-CD 3.4Å; E137-P139 VanDerWaalsContact O-N 3.11Å; E137-E140 PolarHBondContact N-OE2 2.7Å; E137-E140 WeakPolarHBondContact O-CB 3.28Å; E137-E140 PolarHBondContact O-N 3.08Å; E137-K179 HydrophobicContact CB-CB 4.4Å; E137-K179 HydrophobicContact CB-CD 4.37Å; E137-K179 HydrophobicContact CB-CG 4.06Å; E137-K179 VanDerWaalsContact OE2-CD 3.25Å; E137-K179 WeakPolarHBondContact OE2-CD 3.39Å; E137-K179 WeakPolarHBondContact OE2-CE 3.03Å; E137-K179 IonicContact OE2-NZ 3.49Å; E137-K179 PolarHBondContact OE2-NZ 3.46Å |
| 138 | G | 82.7 | Confident | 81.3 | Confident | 24 Ų | 24 | 32 Ų | 32 | 25% | 0.247 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -116.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E140 V141 D142 | G138-E140 PolarHBondContact O-N 2.83Å; G138-V141 PolarHBondContact O-N 2.93Å; G138-D142 PolarHBondContact O-N 2.83Å |
| 139 | P | 80.3 | Confident | 81 | Confident | 44 Ų | 44 | 33.4 Ų | 33.4 | 29% | 0.286 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.6 | -25 | 179.7 | -23 | 33.6 | 0 | 0 | 0 | 115.3 | R31 E137 D142 G143 | R31-P139 HydrophobicContact CB-CB 3.84Å; R31-P139 HydrophobicContact CB-CG 4.05Å; R31-P139 HydrophobicContact CG-CB 4.47Å; R31-P139 HydrophobicContact CG-CG 4.17Å; E137-P139 WeakPolarHBondContact O-CD 3.4Å; E137-P139 VanDerWaalsContact O-N 3.11Å; P139-D142 WeakPolarHBondContact O-CB 3.23Å; P139-D142 PolarHBondContact O-N 3.36Å; P139-G143 PolarHBondContact O-N 2.81Å |
| 140 | E | 85.4 | Confident | 80.4 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.9 | -42.4 | -179.6 | -59 | 175.2 | 149.3 | 0 | 0 | 110.8 | V27 Y128 V130 S131 L136 E137 G138 D142 G143 F144 | V27-E140 HydrophobicContact CG1-CG 4.06Å; Y128-E140 WeakPolarHBondContact O-CB 3.39Å; Y128-E140 VanDerWaalsContact O-CG 3.26Å; Y128-E140 WeakPolarHBondContact O-CG 3.44Å; V130-E140 PolarHBondContact N-OE1 2.91Å; S131-E140 WeakPolarHBondContact CB-OE1 3.36Å; S131-E140 PolarHBondContact N-OE1 3.37Å; S131-E140 PolarHBondContact OG-OE1 3.1Å; S131-E140 PolarHBondContact OG-OE2 3.06Å; L136-E140 HydrophobicContact CB-CB 4.23Å; L136-E140 HydrophobicContact CD2-CB 4.2Å; E137-E140 PolarHBondContact N-OE2 2.7Å; E137-E140 WeakPolarHBondContact O-CB 3.28Å; E137-E140 PolarHBondContact O-N 3.08Å; G138-E140 PolarHBondContact O-N 2.83Å; E140-D142 VanDerWaalsContact C-N 3.29Å; E140-D142 PolarHBondContact O-N 3.47Å; E140-G143 PolarHBondContact O-N 3.33Å; E140-F144 WeakPolarHBondContact O-CB 3.16Å; E140-F144 PolarHBondContact O-N 3.41Å |
| 141 | V | 83.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | L136 G138 F144 V145 R165 M169 I180 | L136-V141 VanDerWaalsContact C-CG2 3.46Å; L136-V141 HydrophobicContact CB-CG2 3.79Å; L136-V141 WeakPolarHBondContact O-CG2 3.25Å; G138-V141 PolarHBondContact O-N 2.93Å; V141-F144 PolarHBondContact O-N 3.17Å; V141-V145 HydrophobicContact CG1-CG2 4.06Å; V141-V145 VanDerWaalsContact O-CB 3.31Å; V141-V145 WeakPolarHBondContact O-CB 3.28Å; V141-V145 VanDerWaalsContact O-CG2 3.25Å; V141-V145 WeakPolarHBondContact O-CG2 3.24Å; V141-V145 PolarHBondContact O-N 3.45Å; V141-R165 HydrophobicContact CG1-CG 4.13Å; V141-M169 HydrophobicContact CG1-SD 4.25Å; V141-I180 HydrophobicContact CB-CD1 4.47Å; V141-I180 HydrophobicContact CG1-CD1 3.71Å; V141-I180 HydrophobicContact CG2-CD1 3.96Å; V141-I180 HydrophobicContact CG2-CG1 4.11Å |
| 142 | D | 81.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 179.1 | -74.4 | -37.5 | 0 | 0 | 0 | 112.1 | M30 R34 G138 P139 E140 V145 K146 R165 | M30-D142 HydrophobicContact CB-CB 3.83Å; M30-D142 HydrophobicContact CE-CB 3.62Å; M30-D142 HydrophobicContact CG-CB 3.91Å; R34-D142 WeakPolarHBondContact CG-OD2 3.42Å; R34-D142 IonicContact CZ-OD1 3.57Å; R34-D142 IonicContact CZ-OD2 3.87Å; R34-D142 IonicContact NE-OD1 2.77Å; R34-D142 PolarHBondContact NE-OD1 2.84Å; R34-D142 IonicContact NE-OD2 3.29Å; R34-D142 PolarHBondContact NE-OD2 2.69Å; R34-D142 IonicContact NH2-OD1 2.77Å; R34-D142 PolarHBondContact NH2-OD1 3.23Å; R34-D142 IonicContact NH2-OD2 3.36Å; G138-D142 PolarHBondContact O-N 2.83Å; P139-D142 WeakPolarHBondContact O-CB 3.23Å; P139-D142 PolarHBondContact O-N 3.36Å; E140-D142 VanDerWaalsContact C-N 3.29Å; E140-D142 PolarHBondContact O-N 3.47Å; D142-V145 PolarHBondContact O-N 2.95Å; D142-K146 VanDerWaalsContact O-CB 3.28Å; D142-K146 WeakPolarHBondContact O-CB 3.34Å; D142-K146 PolarHBondContact O-N 3.08Å; D142-R165 WeakPolarHBondContact OD1-CD 3.28Å; D142-R165 IonicContact OD1-CZ 2.9Å; D142-R165 IonicContact OD1-NE 3.67Å; D142-R165 PolarHBondContact OD1-NE 2.72Å; D142-R165 IonicContact OD1-NH1 2.86Å |
| 143 | G | 79.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y128 P139 E140 K146 D147 | Y128-G143 VanDerWaalsContact CE1-C 3.42Å; P139-G143 PolarHBondContact O-N 2.81Å; E140-G143 PolarHBondContact O-N 3.33Å; G143-K146 PolarHBondContact O-N 3.45Å; G143-D147 PolarHBondContact O-N 3.19Å; G143-D147 VanDerWaalsContact O-N 3.1Å |
| 144 | F | 83.1 | Confident | 77.7 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 177.8 | 177.1 | -100.4 | 0 | 0 | 0 | 112.4 | I124 Y128 L136 E140 V141 K146 D147 M148 L185 | I124-F144 HydrophobicContact CG2-CD2 4.18Å; I124-F144 HydrophobicContact CG2-CE2 3.85Å; Y128-F144 HydrophobicContact CD1-CB 4.03Å; Y128-F144 HydrophobicContact CD2-CB 4.3Å; Y128-F144 AromaticContact CD2-CD2 3.78Å; Y128-F144 HydrophobicContact CD2-CD2 3.78Å; Y128-F144 HydrophobicContact CE1-CB 4.31Å; Y128-F144 AromaticContact CE2-CD2 3.91Å; Y128-F144 HydrophobicContact CE2-CD2 3.91Å; Y128-F144 HydrophobicContact CG-CB 4.06Å; Y128-F144 HydrophobicContact CG-CD2 4.35Å; L136-F144 HydrophobicContact CD1-CB 4.16Å; L136-F144 HydrophobicContact CD1-CD2 4.48Å; L136-F144 HydrophobicContact CD1-CG 4.15Å; E140-F144 WeakPolarHBondContact O-CB 3.16Å; E140-F144 PolarHBondContact O-N 3.41Å; V141-F144 PolarHBondContact O-N 3.17Å; F144-K146 VanDerWaalsContact C-N 3.35Å; F144-D147 PolarHBondContact O-N 2.82Å; F144-M148 HydrophobicContact CE1-SD 4.01Å; F144-M148 HydrophobicContact CZ-SD 4.26Å; F144-M148 VanDerWaalsContact O-CB 3.3Å; F144-M148 WeakPolarHBondContact O-CB 3.31Å; F144-M148 PolarHBondContact O-N 2.83Å; F144-L185 HydrophobicContact CE1-CD1 3.72Å; F144-L185 HydrophobicContact CE1-CD2 4.13Å; F144-L185 HydrophobicContact CE2-CD2 4.21Å; F144-L185 HydrophobicContact CZ-CD1 3.99Å; F144-L185 HydrophobicContact CZ-CD2 3.86Å; F144-L185 HydrophobicContact CZ-CG 4.4Å |
| 145 | V | 82.2 | Confident | 76.9 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 178.8 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | V141 D142 M148 M149 L161 F164 R165 L168 | V141-V145 HydrophobicContact CG1-CG2 4.06Å; V141-V145 VanDerWaalsContact O-CB 3.31Å; V141-V145 WeakPolarHBondContact O-CB 3.28Å; V141-V145 VanDerWaalsContact O-CG2 3.25Å; V141-V145 WeakPolarHBondContact O-CG2 3.24Å; V141-V145 PolarHBondContact O-N 3.45Å; D142-V145 PolarHBondContact O-N 2.95Å; V145-M148 PolarHBondContact O-N 3.22Å; V145-M149 HydrophobicContact CG1-CG 4.38Å; V145-M149 WeakPolarHBondContact O-CB 3.43Å; V145-M149 WeakPolarHBondContact O-CG 3.38Å; V145-M149 PolarHBondContact O-N 3.17Å; V145-L161 HydrophobicContact CB-CD1 4.48Å; V145-L161 HydrophobicContact CG1-CD1 3.71Å; V145-L161 HydrophobicContact CG1-CG 4.14Å; V145-F164 HydrophobicContact CB-CD1 4.5Å; V145-F164 HydrophobicContact CG1-CB 4.23Å; V145-F164 HydrophobicContact CG1-CD1 3.57Å; V145-F164 HydrophobicContact CG1-CE1 4.43Å; V145-F164 HydrophobicContact CG1-CG 4.34Å; V145-F164 HydrophobicContact CG2-CD1 4.35Å; V145-R165 HydrophobicContact CG1-CB 4.47Å; V145-L168 HydrophobicContact CG2-CD1 4.4Å; V145-L168 HydrophobicContact CG2-CD2 4.17Å |
| 146 | K | 79.2 | Confident | 76.3 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.4 | -54.1 | 177.1 | -179.8 | -170 | 167.3 | -68.5 | 0 | 110.5 | F29 M30 D142 G143 F144 M148 M149 E150 L161 | F29-K146 HydrophobicContact CD1-CD 4.31Å; F29-K146 HydrophobicContact CE1-CD 4.23Å; M30-K146 HydrophobicContact CG-CD 4.48Å; M30-K146 HydrophobicContact SD-CD 4.13Å; D142-K146 VanDerWaalsContact O-CB 3.28Å; D142-K146 WeakPolarHBondContact O-CB 3.34Å; D142-K146 PolarHBondContact O-N 3.08Å; G143-K146 PolarHBondContact O-N 3.45Å; F144-K146 VanDerWaalsContact C-N 3.35Å; K146-M148 VanDerWaalsContact C-N 3.33Å; K146-M148 PolarHBondContact O-N 3.18Å; K146-M149 PolarHBondContact O-N 2.93Å; K146-E150 WeakPolarHBondContact CE-OE1 3.26Å; K146-E150 IonicContact NZ-OE1 2.72Å; K146-E150 PolarHBondContact NZ-OE1 3.24Å; K146-E150 IonicContact NZ-OE2 3.5Å; K146-E150 PolarHBondContact NZ-OE2 2.76Å; K146-E150 WeakPolarHBondContact O-CB 3.36Å; K146-E150 PolarHBondContact O-N 2.92Å; K146-L161 HydrophobicContact CB-CD1 3.76Å; K146-L161 HydrophobicContact CG-CD1 4.39Å |
| 147 | D | 76.4 | Confident | 75.9 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.2 | -39.6 | -178.8 | -82.2 | 32.8 | 0 | 0 | 0 | 110.6 | N102 F103 L104 Y128 G143 F144 M149 E150 L151 | N102-D147 WeakPolarHBondContact CA-OD2 3.32Å; N102-D147 PolarHBondContact ND2-O 3.29Å; N102-D147 VanDerWaalsContact OD1-CB 3.28Å; N102-D147 WeakPolarHBondContact OD1-CB 3.45Å; N102-D147 PolarHBondContact OD1-OD2 2.77Å; F103-D147 PolarHBondContact N-OD2 3.43Å; L104-D147 VanDerWaalsContact CD1-C 3.48Å; L104-D147 HydrophobicContact CD1-CB 3.75Å; L104-D147 HydrophobicContact CG-CB 3.89Å; Y128-D147 WeakPolarHBondContact OH-CB 3.26Å; Y128-D147 PolarHBondContact OH-OD2 3.2Å; G143-D147 PolarHBondContact O-N 3.19Å; G143-D147 VanDerWaalsContact O-N 3.1Å; F144-D147 PolarHBondContact O-N 2.82Å; D147-M149 VanDerWaalsContact C-N 3.33Å; D147-M149 PolarHBondContact O-N 2.9Å; D147-E150 PolarHBondContact O-N 2.81Å; D147-L151 WeakPolarHBondContact O-CG 3.39Å; D147-L151 PolarHBondContact O-N 2.79Å |
| 148 | M | 74.6 | Confident | 75.5 | Confident | 51 Ų | 51 | 31.4 Ų | 31.4 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.3 | -175.9 | 176.9 | 166.6 | 0 | 0 | 112.1 | L104 F144 V145 K146 L151 F164 L168 | L104-M148 HydrophobicContact CD1-CB 3.98Å; L104-M148 VanDerWaalsContact CD1-N 3.3Å; F144-M148 HydrophobicContact CE1-SD 4.01Å; F144-M148 HydrophobicContact CZ-SD 4.26Å; F144-M148 VanDerWaalsContact O-CB 3.3Å; F144-M148 WeakPolarHBondContact O-CB 3.31Å; F144-M148 PolarHBondContact O-N 2.83Å; V145-M148 PolarHBondContact O-N 3.22Å; K146-M148 VanDerWaalsContact C-N 3.33Å; K146-M148 PolarHBondContact O-N 3.18Å; M148-L151 WeakPolarHBondContact O-CB 3.24Å; M148-L151 PolarHBondContact O-N 3.1Å; M148-F164 HydrophobicContact CE-CE1 4.35Å; M148-F164 HydrophobicContact CE-CZ 4Å; M148-F164 HydrophobicContact SD-CE1 4.18Å; M148-F164 HydrophobicContact SD-CZ 4.42Å; M148-L168 HydrophobicContact SD-CD1 4.06Å |
| 149 | M | 74.5 | Confident | 75.4 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 14% | 0.143 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.7 | -38.5 | 177.5 | -76.4 | -62.1 | -71 | 0 | 0 | 112.5 | V145 K146 D147 L151 V152 K153 I156 F164 | V145-M149 HydrophobicContact CG1-CG 4.38Å; V145-M149 WeakPolarHBondContact O-CB 3.43Å; V145-M149 WeakPolarHBondContact O-CG 3.38Å; V145-M149 PolarHBondContact O-N 3.17Å; K146-M149 PolarHBondContact O-N 2.93Å; D147-M149 VanDerWaalsContact C-N 3.33Å; D147-M149 PolarHBondContact O-N 2.9Å; M149-L151 PolarHBondContact O-N 2.98Å; M149-V152 PolarHBondContact O-N 3.38Å; M149-K153 PolarHBondContact O-N 2.71Å; M149-I156 HydrophobicContact CB-CD1 3.43Å; M149-I156 VanDerWaalsContact CB-CD1 3.43Å; M149-I156 HydrophobicContact CB-CG2 4.45Å; M149-I156 HydrophobicContact CE-CD1 3.37Å; M149-I156 HydrophobicContact CG-CD1 3.47Å; M149-I156 VanDerWaalsContact CG-CD1 3.47Å; M149-I156 HydrophobicContact SD-CD1 4.23Å; M149-F164 HydrophobicContact CE-CD2 4.14Å; M149-F164 HydrophobicContact CE-CG 4.44Å; M149-F164 HydrophobicContact CG-CB 4.26Å; M149-F164 HydrophobicContact CG-CD1 3.91Å; M149-F164 HydrophobicContact CG-CD2 4.32Å; M149-F164 HydrophobicContact CG-CE1 4.26Å; M149-F164 HydrophobicContact CG-CG 3.89Å; M149-F164 HydrophobicContact SD-CB 4.18Å; M149-F164 HydrophobicContact SD-CD1 3.93Å; M149-F164 HydrophobicContact SD-CD2 3.32Å; M149-F164 WeakPolarHBondContact SD-CD2 3.24Å; M149-F164 HydrophobicContact SD-CE1 4.07Å; M149-F164 HydrophobicContact SD-CE2 3.52Å; M149-F164 VanDerWaalsContact SD-CE2 3.52Å; M149-F164 HydrophobicContact SD-CG 3.52Å; M149-F164 VanDerWaalsContact SD-CG 3.52Å; M149-F164 HydrophobicContact SD-CZ 3.88Å |
| 150 | E | 69.8 | Low | 75.4 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 19% | 0.192 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -23 | 174.7 | -84.9 | -179 | 171.9 | 0 | 0 | 112.8 | N102 K146 D147 V152 K153 | N102-E150 WeakPolarHBondContact CB-OE2 3.34Å; N102-E150 WeakPolarHBondContact ND2-CB 3.3Å; K146-E150 WeakPolarHBondContact CE-OE1 3.26Å; K146-E150 IonicContact NZ-OE1 2.72Å; K146-E150 PolarHBondContact NZ-OE1 3.24Å; K146-E150 IonicContact NZ-OE2 3.5Å; K146-E150 PolarHBondContact NZ-OE2 2.76Å; K146-E150 WeakPolarHBondContact O-CB 3.36Å; K146-E150 PolarHBondContact O-N 2.92Å; D147-E150 PolarHBondContact O-N 2.81Å; E150-V152 VanDerWaalsContact C-N 3.3Å; E150-V152 PolarHBondContact O-N 3.25Å; E150-K153 WeakPolarHBondContact CA-O 3.33Å |
| 151 | L | 66.4 | Low | 75.3 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 22% | 0.22 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -29 | 171.8 | -63.4 | 179.6 | 0 | 0 | 0 | 113.6 | L104 L105 K108 D147 M148 M149 | L104-L151 HydrophobicContact CB-CD1 3.8Å; L104-L151 HydrophobicContact CB-CD2 3.96Å; L104-L151 HydrophobicContact CB-CG 4.08Å; L104-L151 HydrophobicContact CD1-CD1 3.97Å; L104-L151 HydrophobicContact CD1-CG 4.44Å; L105-L151 HydrophobicContact CD2-CD2 3.54Å; L105-L151 HydrophobicContact CG-CD2 3.95Å; K108-L151 HydrophobicContact CD-CD2 4.15Å; K108-L151 PolarHBondContact NZ-O 3.23Å; D147-L151 WeakPolarHBondContact O-CG 3.39Å; D147-L151 PolarHBondContact O-N 2.79Å; M148-L151 WeakPolarHBondContact O-CB 3.24Å; M148-L151 PolarHBondContact O-N 3.1Å; M149-L151 PolarHBondContact O-N 2.98Å |
| 152 | V | 66.6 | Low | 75.2 | Confident | 124 Ų | 124 | 35.5 Ų | 35.5 | 75% | 0.752 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -42.2 | -175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | M149 E150 | M149-V152 PolarHBondContact O-N 3.38Å; E150-V152 VanDerWaalsContact C-N 3.3Å; E150-V152 PolarHBondContact O-N 3.25Å |
| 153 | K | 67.8 | Low | 75.3 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | trans | -137.5 | 109.3 | -178.8 | -170.5 | -172.8 | -178.3 | -165.3 | 0 | 109.2 | M149 E150 S155 E160 | M149-K153 PolarHBondContact O-N 2.71Å; E150-K153 WeakPolarHBondContact CA-O 3.33Å; K153-S155 VanDerWaalsContact CE-O 3.24Å; K153-S155 WeakPolarHBondContact CE-O 3.39Å; K153-S155 PolarHBondContact O-N 3.48Å; K153-S155 VanDerWaalsContact O-N 3.08Å; K153-E160 IonicContact NZ-OE1 2.77Å; K153-E160 PolarHBondContact NZ-OE1 3.23Å; K153-E160 IonicContact NZ-OE2 3.13Å; K153-E160 PolarHBondContact NZ-OE2 2.06Å | ||
| 154 | P | 63.4 | Low | 75.5 | Confident | 106 Ų | 106 | 45.6 Ų | 45.6 | 69% | 0.688 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -70.6 | -5 | -173.2 | 26.1 | -33.8 | 0 | 0 | 0 | 115.1 | ||
| 155 | S | 63.9 | Low | 75.5 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 42% | 0.42 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -135.3 | 99.7 | 173.9 | 61.4 | 0 | 0 | 0 | 0 | 109.5 | N91 K153 | N91-S155 WeakPolarHBondContact OD1-CA 3.38Å; K153-S155 VanDerWaalsContact CE-O 3.24Å; K153-S155 WeakPolarHBondContact CE-O 3.39Å; K153-S155 PolarHBondContact O-N 3.48Å; K153-S155 VanDerWaalsContact O-N 3.08Å |
| 156 | I | 72.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -110.3 | 130.9 | -179.4 | -174 | 165 | 0 | 0 | 0 | 110.4 | N91 M149 E160 L161 | N91-I156 PolarHBondContact ND2-O 3.2Å; N91-I156 PolarHBondContact OD1-N 2.85Å; N91-I156 VanDerWaalsContact OD1-N 3.1Å; N91-I156 PolarHBondContact OD1-O 3.29Å; M149-I156 HydrophobicContact CB-CD1 3.43Å; M149-I156 VanDerWaalsContact CB-CD1 3.43Å; M149-I156 HydrophobicContact CB-CG2 4.45Å; M149-I156 HydrophobicContact CE-CD1 3.37Å; M149-I156 HydrophobicContact CG-CD1 3.47Å; M149-I156 VanDerWaalsContact CG-CD1 3.47Å; M149-I156 HydrophobicContact SD-CD1 4.23Å; I156-E160 HydrophobicContact CD1-CB 3.87Å; I156-E160 HydrophobicContact CG1-CB 3.53Å; I156-L161 HydrophobicContact CD1-CB 4.39Å; I156-L161 HydrophobicContact CD1-CD1 4.33Å | ||
| 157 | S | 77.1 | Confident | 75.8 | Confident | 28 Ų | 28 | 58 Ų | 58 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -75.5 | 152.7 | 173.9 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | M159 E160 L161 | S157-M159 PolarHBondContact O-N 3.04Å; S157-E160 PolarHBondContact N-OE2 3.15Å; S157-E160 VanDerWaalsContact N-OE2 3.1Å; S157-E160 WeakPolarHBondContact O-CB 3.21Å; S157-E160 PolarHBondContact O-N 3.1Å; S157-E160 WeakPolarHBondContact OG-CB 3.14Å; S157-E160 VanDerWaalsContact OG-CG 3.22Å; S157-E160 WeakPolarHBondContact OG-CG 3.36Å; S157-E160 PolarHBondContact OG-N 2.76Å; S157-E160 PolarHBondContact OG-OE2 3.04Å; S157-L161 PolarHBondContact O-N 3.27Å | ||
| 158 | G | 76 | Confident | 76 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56 | -37 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | E160 L161 D162 | G158-E160 PolarHBondContact O-N 3.03Å; G158-L161 VanDerWaalsContact O-CB 3.28Å; G158-L161 WeakPolarHBondContact O-CB 3.36Å; G158-L161 PolarHBondContact O-N 2.95Å; G158-D162 PolarHBondContact O-N 2.81Å |
| 159 | M | 79.4 | Confident | 76.3 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 173.5 | -71.9 | -169 | -77.4 | 0 | 0 | 113.8 | S41 Y43 S157 K163 | S41-M159 WeakPolarHBondContact O-CG 3.38Å; Y43-M159 HydrophobicContact CE2-CE 4.17Å; S157-M159 PolarHBondContact O-N 3.04Å; M159-K163 WeakPolarHBondContact O-CG 3.43Å; M159-K163 PolarHBondContact O-N 3.05Å |
| 160 | E | 81.5 | Confident | 76.7 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 174.9 | -76.1 | 173.9 | 128.4 | 0 | 0 | 110.9 | K153 I156 S157 G158 D162 K163 F164 | K153-E160 IonicContact NZ-OE1 2.77Å; K153-E160 PolarHBondContact NZ-OE1 3.23Å; K153-E160 IonicContact NZ-OE2 3.13Å; K153-E160 PolarHBondContact NZ-OE2 2.06Å; I156-E160 HydrophobicContact CD1-CB 3.87Å; I156-E160 HydrophobicContact CG1-CB 3.53Å; S157-E160 PolarHBondContact N-OE2 3.15Å; S157-E160 VanDerWaalsContact N-OE2 3.1Å; S157-E160 WeakPolarHBondContact O-CB 3.21Å; S157-E160 PolarHBondContact O-N 3.1Å; S157-E160 WeakPolarHBondContact OG-CB 3.14Å; S157-E160 VanDerWaalsContact OG-CG 3.22Å; S157-E160 WeakPolarHBondContact OG-CG 3.36Å; S157-E160 PolarHBondContact OG-N 2.76Å; S157-E160 PolarHBondContact OG-OE2 3.04Å; G158-E160 PolarHBondContact O-N 3.03Å; E160-D162 VanDerWaalsContact C-N 3.34Å; E160-D162 PolarHBondContact O-N 3.29Å; E160-K163 PolarHBondContact O-N 3.16Å; E160-F164 WeakPolarHBondContact O-CB 3.09Å; E160-F164 PolarHBondContact O-N 2.89Å |
| 161 | L | 81.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 173.7 | -167.2 | 82.5 | 0 | 0 | 0 | 110.8 | M30 L90 V145 K146 I156 S157 G158 F164 R165 | M30-L161 HydrophobicContact CE-CD2 3.52Å; M30-L161 HydrophobicContact SD-CD2 4.22Å; L90-L161 HydrophobicContact CD2-CB 4.41Å; L90-L161 HydrophobicContact CD2-CD2 3.87Å; V145-L161 HydrophobicContact CB-CD1 4.48Å; V145-L161 HydrophobicContact CG1-CD1 3.71Å; V145-L161 HydrophobicContact CG1-CG 4.14Å; K146-L161 HydrophobicContact CB-CD1 3.76Å; K146-L161 HydrophobicContact CG-CD1 4.39Å; I156-L161 HydrophobicContact CD1-CB 4.39Å; I156-L161 HydrophobicContact CD1-CD1 4.33Å; S157-L161 PolarHBondContact O-N 3.27Å; G158-L161 VanDerWaalsContact O-CB 3.28Å; G158-L161 WeakPolarHBondContact O-CB 3.36Å; G158-L161 PolarHBondContact O-N 2.95Å; L161-F164 PolarHBondContact O-N 3.47Å; L161-R165 VanDerWaalsContact O-CB 3.29Å; L161-R165 WeakPolarHBondContact O-CB 3.4Å; L161-R165 PolarHBondContact O-N 2.9Å |
| 162 | D | 81.9 | Confident | 77.8 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 8% | 0.075 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 179 | -87.6 | -51.9 | 0 | 0 | 0 | 113.5 | R34 S40 G158 E160 F164 K166 | R34-D162 IonicContact CZ-OD1 3.53Å; R34-D162 VanDerWaalsContact CZ-OD1 3.26Å; R34-D162 IonicContact NH1-OD1 3.26Å; R34-D162 PolarHBondContact NH1-OD1 3.04Å; R34-D162 IonicContact NH1-OD2 2.92Å; R34-D162 PolarHBondContact NH1-OD2 3.22Å; R34-D162 IonicContact NH2-OD1 3.27Å; R34-D162 PolarHBondContact NH2-OD1 2.86Å; S40-D162 WeakPolarHBondContact CB-OD2 3.24Å; G158-D162 PolarHBondContact O-N 2.81Å; E160-D162 VanDerWaalsContact C-N 3.34Å; E160-D162 PolarHBondContact O-N 3.29Å; D162-F164 VanDerWaalsContact C-N 3.34Å; D162-K166 WeakPolarHBondContact O-CB 3.3Å; D162-K166 WeakPolarHBondContact O-CG 3.44Å; D162-K166 PolarHBondContact O-N 3.04Å |
| 163 | K | 83.9 | Confident | 78.5 | Confident | 154 Ų | 154 | 57.7 Ų | 57.7 | 67% | 0.67 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.2 | -44.9 | 172.8 | -76.2 | 177.1 | -175.1 | 176.9 | 0 | 110.8 | M159 E160 K166 A167 | M159-K163 WeakPolarHBondContact O-CG 3.43Å; M159-K163 PolarHBondContact O-N 3.05Å; E160-K163 PolarHBondContact O-N 3.16Å; K163-K166 PolarHBondContact O-N 3Å; K163-A167 WeakPolarHBondContact O-CB 3.03Å; K163-A167 PolarHBondContact O-N 3.17Å |
| 164 | F | 82.4 | Confident | 79 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 179.6 | -165.8 | -91.7 | 0 | 0 | 0 | 111.6 | V145 M148 M149 E160 L161 D162 K166 A167 L168 | V145-F164 HydrophobicContact CB-CD1 4.5Å; V145-F164 HydrophobicContact CG1-CB 4.23Å; V145-F164 HydrophobicContact CG1-CD1 3.57Å; V145-F164 HydrophobicContact CG1-CE1 4.43Å; V145-F164 HydrophobicContact CG1-CG 4.34Å; V145-F164 HydrophobicContact CG2-CD1 4.35Å; M148-F164 HydrophobicContact CE-CE1 4.35Å; M148-F164 HydrophobicContact CE-CZ 4Å; M148-F164 HydrophobicContact SD-CE1 4.18Å; M148-F164 HydrophobicContact SD-CZ 4.42Å; M149-F164 HydrophobicContact CE-CD2 4.14Å; M149-F164 HydrophobicContact CE-CG 4.44Å; M149-F164 HydrophobicContact CG-CB 4.26Å; M149-F164 HydrophobicContact CG-CD1 3.91Å; M149-F164 HydrophobicContact CG-CD2 4.32Å; M149-F164 HydrophobicContact CG-CE1 4.26Å; M149-F164 HydrophobicContact CG-CG 3.89Å; M149-F164 HydrophobicContact SD-CB 4.18Å; M149-F164 HydrophobicContact SD-CD1 3.93Å; M149-F164 HydrophobicContact SD-CD2 3.32Å; M149-F164 WeakPolarHBondContact SD-CD2 3.24Å; M149-F164 HydrophobicContact SD-CE1 4.07Å; M149-F164 HydrophobicContact SD-CE2 3.52Å; M149-F164 VanDerWaalsContact SD-CE2 3.52Å; M149-F164 HydrophobicContact SD-CG 3.52Å; M149-F164 VanDerWaalsContact SD-CG 3.52Å; M149-F164 HydrophobicContact SD-CZ 3.88Å; E160-F164 WeakPolarHBondContact O-CB 3.09Å; E160-F164 PolarHBondContact O-N 2.89Å; L161-F164 PolarHBondContact O-N 3.47Å; D162-F164 VanDerWaalsContact C-N 3.34Å; F164-K166 VanDerWaalsContact C-N 3.35Å; F164-K166 PolarHBondContact O-N 3.4Å; F164-A167 PolarHBondContact O-N 3.34Å; F164-L168 HydrophobicContact CD1-CB 4.37Å; F164-L168 HydrophobicContact CD1-CD1 4.33Å; F164-L168 HydrophobicContact CE1-CB 4.34Å; F164-L168 HydrophobicContact CE1-CD1 3.61Å; F164-L168 HydrophobicContact CZ-CD1 4.34Å; F164-L168 VanDerWaalsContact O-CB 3.24Å; F164-L168 WeakPolarHBondContact O-CB 3.49Å; F164-L168 PolarHBondContact O-N 3.29Å |
| 165 | R | 83.6 | Confident | 79.8 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.6 | -50.5 | 172.4 | -177.9 | -166.9 | -175.9 | -158 | -4 | 110.9 | V141 D142 V145 L161 A167 L168 M169 | V141-R165 HydrophobicContact CG1-CG 4.13Å; D142-R165 WeakPolarHBondContact OD1-CD 3.28Å; D142-R165 IonicContact OD1-CZ 2.9Å; D142-R165 IonicContact OD1-NE 3.67Å; D142-R165 PolarHBondContact OD1-NE 2.72Å; D142-R165 IonicContact OD1-NH1 2.86Å; V145-R165 HydrophobicContact CG1-CB 4.47Å; L161-R165 VanDerWaalsContact O-CB 3.29Å; L161-R165 WeakPolarHBondContact O-CB 3.4Å; L161-R165 PolarHBondContact O-N 2.9Å; R165-A167 VanDerWaalsContact C-N 3.33Å; R165-A167 PolarHBondContact O-N 2.92Å; R165-L168 PolarHBondContact O-N 3.45Å; R165-M169 HydrophobicContact CG-CG 4.39Å; R165-M169 WeakPolarHBondContact O-CB 3.37Å; R165-M169 VanDerWaalsContact O-CG 3.23Å; R165-M169 WeakPolarHBondContact O-CG 3.46Å; R165-M169 PolarHBondContact O-N 2.72Å |
| 166 | K | 83.9 | Confident | 80.5 | Confident | 158 Ų | 158 | 66.5 Ų | 66.5 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -40.2 | 177.8 | -75.8 | 175.8 | -178.2 | 173.8 | 0 | 112.4 | D162 K163 F164 G170 | D162-K166 WeakPolarHBondContact O-CB 3.3Å; D162-K166 WeakPolarHBondContact O-CG 3.44Å; D162-K166 PolarHBondContact O-N 3.04Å; K163-K166 PolarHBondContact O-N 3Å; F164-K166 VanDerWaalsContact C-N 3.35Å; F164-K166 PolarHBondContact O-N 3.4Å; K166-G170 PolarHBondContact O-N 3.26Å |
| 167 | A | 84.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 70 Ų | 70 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K163 F164 R165 G170 H171 | K163-A167 WeakPolarHBondContact O-CB 3.03Å; K163-A167 PolarHBondContact O-N 3.17Å; F164-A167 PolarHBondContact O-N 3.34Å; R165-A167 VanDerWaalsContact C-N 3.33Å; R165-A167 PolarHBondContact O-N 2.92Å; A167-G170 PolarHBondContact O-N 2.78Å; A167-H171 PolarHBondContact O-N 3.08Å; A167-H171 VanDerWaalsContact O-N 3.08Å; A167-H171 PolarHBondContact O-ND1 3.4Å |
| 168 | L | 80.9 | Confident | 81 | Confident | 16 Ų | 16 | 70.6 Ų | 70.6 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -45.7 | -179.5 | -171.3 | 134 | 0 | 0 | 0 | 111.1 | V145 M148 F164 R165 G170 H171 C172 I180 | V145-L168 HydrophobicContact CG2-CD1 4.4Å; V145-L168 HydrophobicContact CG2-CD2 4.17Å; M148-L168 HydrophobicContact SD-CD1 4.06Å; F164-L168 HydrophobicContact CD1-CB 4.37Å; F164-L168 HydrophobicContact CD1-CD1 4.33Å; F164-L168 HydrophobicContact CE1-CB 4.34Å; F164-L168 HydrophobicContact CE1-CD1 3.61Å; F164-L168 HydrophobicContact CZ-CD1 4.34Å; F164-L168 VanDerWaalsContact O-CB 3.24Å; F164-L168 WeakPolarHBondContact O-CB 3.49Å; F164-L168 PolarHBondContact O-N 3.29Å; R165-L168 PolarHBondContact O-N 3.45Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-G170 PolarHBondContact O-N 2.95Å; L168-H171 PolarHBondContact O-N 2.55Å; L168-H171 VanDerWaalsContact O-N 3.17Å; L168-C172 WeakPolarHBondContact O-CB 3.11Å; L168-C172 PolarHBondContact O-N 2.69Å; L168-C172 PolarHBondContact O-SG 3.34Å; L168-I180 HydrophobicContact CD2-CD1 3.22Å |
| 169 | M | 81.5 | Confident | 81.5 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 14% | 0.143 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.2 | -48 | 169.3 | -69.6 | -61.7 | -66 | 0 | 0 | 110.7 | V141 R165 H171 C172 D173 G178 I180 | V141-M169 HydrophobicContact CG1-SD 4.25Å; R165-M169 HydrophobicContact CG-CG 4.39Å; R165-M169 WeakPolarHBondContact O-CB 3.37Å; R165-M169 VanDerWaalsContact O-CG 3.23Å; R165-M169 WeakPolarHBondContact O-CG 3.46Å; R165-M169 PolarHBondContact O-N 2.72Å; M169-H171 PolarHBondContact O-N 3.49Å; M169-H171 VanDerWaalsContact O-N 3.08Å; M169-C172 PolarHBondContact O-N 2.96Å; M169-D173 HydrophobicContact CE-CB 3.72Å; M169-D173 VanDerWaalsContact CE-OD2 3.28Å; M169-D173 WeakPolarHBondContact CE-OD2 3Å; M169-D173 WeakPolarHBondContact O-CA 3.11Å; M169-D173 WeakPolarHBondContact O-CB 3.47Å; M169-D173 PolarHBondContact O-N 3.23Å; M169-D173 HydrophobicContact SD-CB 4.45Å; M169-G178 WeakPolarHBondContact CE-O 3.33Å; M169-I180 HydrophobicContact CE-CG1 4.43Å; M169-I180 HydrophobicContact SD-CD1 3.7Å; M169-I180 HydrophobicContact SD-CG1 3.44Å; M169-I180 WeakPolarHBondContact SD-CG1 3.49Å |
| 170 | G | 81.6 | Confident | 81.7 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 68% | 0.68 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.1 | -22 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K166 A167 L168 | K166-G170 PolarHBondContact O-N 3.26Å; A167-G170 PolarHBondContact O-N 2.78Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-G170 PolarHBondContact O-N 2.95Å |
| 171 | H | 79.2 | Confident | 82 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 69% | 0.694 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -98.8 | -35.3 | 177.8 | -73.5 | 75.3 | 0 | 0 | 0 | 113.4 | A167 L168 M169 | A167-H171 PolarHBondContact O-N 3.08Å; A167-H171 VanDerWaalsContact O-N 3.08Å; A167-H171 PolarHBondContact O-ND1 3.4Å; L168-H171 PolarHBondContact O-N 2.55Å; L168-H171 VanDerWaalsContact O-N 3.17Å; M169-H171 PolarHBondContact O-N 3.49Å; M169-H171 VanDerWaalsContact O-N 3.08Å |
| 172 | C | 79.7 | Confident | 82 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -100.1 | -35.8 | -173.7 | -43.4 | 0 | 0 | 0 | 0 | 112.6 | L168 M169 I174 I180 E184 C188 | L168-C172 WeakPolarHBondContact O-CB 3.11Å; L168-C172 PolarHBondContact O-N 2.69Å; L168-C172 PolarHBondContact O-SG 3.34Å; M169-C172 PolarHBondContact O-N 2.96Å; C172-I174 VanDerWaalsContact C-N 3.33Å; C172-I174 PolarHBondContact O-N 3.45Å; C172-I180 HydrophobicContact CB-CG2 4.18Å; C172-E184 WeakPolarHBondContact O-CB 3.45Å; C172-E184 WeakPolarHBondContact O-CG 3.49Å; C172-C188 HydrophobicContact CB-CB 3.91Å; C172-C188 WeakPolarHBondContact CB-SG 3.39Å; C172-C188 WeakPolarHBondContact SG-CB 3.28Å; C172-C188 CovalentContact SG-SG 2.06Å; C172-C188 PolarHBondContact SG-SG 3.13Å |
| 173 | D | 82.6 | Confident | 81.9 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 11% | 0.107 | 38% | 0.381 | C | S | . | . | trans | -76.6 | 81.3 | 177.6 | -179.7 | 9.6 | 0 | 0 | 0 | 110 | M169 N175 R176 D177 G178 | M169-D173 HydrophobicContact CE-CB 3.72Å; M169-D173 VanDerWaalsContact CE-OD2 3.28Å; M169-D173 WeakPolarHBondContact CE-OD2 3Å; M169-D173 WeakPolarHBondContact O-CA 3.11Å; M169-D173 WeakPolarHBondContact O-CB 3.47Å; M169-D173 PolarHBondContact O-N 3.23Å; M169-D173 HydrophobicContact SD-CB 4.45Å; D173-N175 PolarHBondContact OD1-OD1 3.39Å; D173-R176 VanDerWaalsContact CG-CA 3.48Å; D173-R176 WeakPolarHBondContact OD1-CA 3.27Å; D173-R176 PolarHBondContact OD1-N 2.79Å; D173-R176 WeakPolarHBondContact OD2-CA 3.32Å; D173-D177 PolarHBondContact OD1-N 3.3Å; D173-G178 WeakPolarHBondContact OD2-CA 3.3Å; D173-G178 PolarHBondContact OD2-N 3.25Å | ||
| 174 | I | 77.6 | Confident | 81.8 | Confident | 122 Ų | 122 | 68.6 Ų | 68.6 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -73.2 | -38.9 | -175.6 | -63.8 | 173 | 0 | 0 | 0 | 109.6 | C172 R176 E184 | C172-I174 VanDerWaalsContact C-N 3.33Å; C172-I174 PolarHBondContact O-N 3.45Å; I174-R176 VanDerWaalsContact C-N 3.29Å; I174-E184 PolarHBondContact N-OE1 3.04Å |
| 175 | N | 79.8 | Confident | 81.7 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -81.8 | -8.1 | -178.7 | 72.8 | -2 | 0 | 0 | 0 | 113.3 | D173 D177 Q181 E184 | D173-N175 PolarHBondContact OD1-OD1 3.39Å; N175-D177 VanDerWaalsContact ND2-CG 3.27Å; N175-D177 PolarHBondContact ND2-OD2 3.05Å; N175-D177 PolarHBondContact O-N 2.85Å; N175-D177 WeakPolarHBondContact OD1-CB 3.33Å; N175-D177 PolarHBondContact OD1-N 3.22Å; N175-D177 VanDerWaalsContact OD1-N 3.1Å; N175-D177 PolarHBondContact OD1-OD1 3.38Å; N175-D177 VanDerWaalsContact OD1-OD1 3.14Å; N175-D177 PolarHBondContact OD1-OD2 3.14Å; N175-Q181 PolarHBondContact ND2-NE2 3.01Å; N175-Q181 PolarHBondContact ND2-OE1 3.08Å; N175-Q181 PolarHBondContact OD1-NE2 3.07Å; N175-E184 PolarHBondContact N-OE1 3.32Å |
| 176 | R | 79.9 | Confident | 81.4 | Confident | 224 Ų | 224 | 62.7 Ų | 62.7 | 85% | 0.845 | 33% | 0.328 | S | S | * | . | trans | 58.2 | 32.5 | 179.8 | -59.7 | -175.6 | 179.5 | 176.8 | 0.2 | 112.8 | D173 I174 | D173-R176 VanDerWaalsContact CG-CA 3.48Å; D173-R176 WeakPolarHBondContact OD1-CA 3.27Å; D173-R176 PolarHBondContact OD1-N 2.79Å; D173-R176 WeakPolarHBondContact OD2-CA 3.32Å; I174-R176 VanDerWaalsContact C-N 3.29Å | ||
| 177 | D | 81.6 | Confident | 81 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -84.5 | -2.2 | 178.8 | 76.3 | 2.6 | 0 | 0 | 0 | 112.7 | D173 N175 K179 Q181 | D173-D177 PolarHBondContact OD1-N 3.3Å; N175-D177 VanDerWaalsContact ND2-CG 3.27Å; N175-D177 PolarHBondContact ND2-OD2 3.05Å; N175-D177 PolarHBondContact O-N 2.85Å; N175-D177 WeakPolarHBondContact OD1-CB 3.33Å; N175-D177 PolarHBondContact OD1-N 3.22Å; N175-D177 VanDerWaalsContact OD1-N 3.1Å; N175-D177 PolarHBondContact OD1-OD1 3.38Å; N175-D177 VanDerWaalsContact OD1-OD1 3.14Å; N175-D177 PolarHBondContact OD1-OD2 3.14Å; D177-K179 VanDerWaalsContact C-N 3.26Å; D177-K179 WeakPolarHBondContact OD1-CA 3.14Å; D177-K179 VanDerWaalsContact OD1-CB 3.23Å; D177-K179 WeakPolarHBondContact OD1-CB 3.36Å; D177-K179 PolarHBondContact OD1-N 2.96Å; D177-K179 VanDerWaalsContact OD1-O 3.1Å; D177-Q181 VanDerWaalsContact CG-NE2 3.34Å; D177-Q181 PolarHBondContact OD1-NE2 3.36Å; D177-Q181 VanDerWaalsContact OD1-NE2 3.15Å; D177-Q181 PolarHBondContact OD2-NE2 3.37Å |
| 178 | G | 79 | Confident | 80.3 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 78.8 | 10.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M169 D173 | M169-G178 WeakPolarHBondContact CE-O 3.33Å; D173-G178 WeakPolarHBondContact OD2-CA 3.3Å; D173-G178 PolarHBondContact OD2-N 3.25Å |
| 179 | K | 85.6 | Confident | 79.7 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152 | 177.6 | -42.3 | -173.2 | -174.8 | -151.4 | 0 | 109.4 | A135 L136 E137 D177 Q181 | A135-K179 HydrophobicContact CB-CB 3.88Å; A135-K179 HydrophobicContact CB-CD 4.26Å; L136-K179 WeakPolarHBondContact O-CA 3.35Å; E137-K179 HydrophobicContact CB-CB 4.4Å; E137-K179 HydrophobicContact CB-CD 4.37Å; E137-K179 HydrophobicContact CB-CG 4.06Å; E137-K179 VanDerWaalsContact OE2-CD 3.25Å; E137-K179 WeakPolarHBondContact OE2-CD 3.39Å; E137-K179 WeakPolarHBondContact OE2-CE 3.03Å; E137-K179 IonicContact OE2-NZ 3.49Å; E137-K179 PolarHBondContact OE2-NZ 3.46Å; D177-K179 VanDerWaalsContact C-N 3.26Å; D177-K179 WeakPolarHBondContact OD1-CA 3.14Å; D177-K179 VanDerWaalsContact OD1-CB 3.23Å; D177-K179 WeakPolarHBondContact OD1-CB 3.36Å; D177-K179 PolarHBondContact OD1-N 2.96Å; D177-K179 VanDerWaalsContact OD1-O 3.1Å; K179-Q181 PolarHBondContact O-NE2 3.29Å |
| 180 | I | 84.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105 | 174.6 | -52.4 | 178.7 | 0 | 0 | 0 | 107.5 | A135 L136 V141 L168 M169 C172 L185 | A135-I180 CarbonylContact C-O 3.57Å; A135-I180 WeakPolarHBondContact CA-O 3.09Å; L136-I180 HydrophobicContact CB-CB 4.44Å; L136-I180 PolarHBondContact N-O 2.79Å; L136-I180 PolarHBondContact O-N 3.31Å; V141-I180 HydrophobicContact CB-CD1 4.47Å; V141-I180 HydrophobicContact CG1-CD1 3.71Å; V141-I180 HydrophobicContact CG2-CD1 3.96Å; V141-I180 HydrophobicContact CG2-CG1 4.11Å; L168-I180 HydrophobicContact CD2-CD1 3.22Å; M169-I180 HydrophobicContact CE-CG1 4.43Å; M169-I180 HydrophobicContact SD-CD1 3.7Å; M169-I180 HydrophobicContact SD-CG1 3.44Å; M169-I180 WeakPolarHBondContact SD-CG1 3.49Å; C172-I180 HydrophobicContact CB-CG2 4.18Å; I180-L185 HydrophobicContact CG2-CB 3.71Å; I180-L185 HydrophobicContact CG2-CD1 4.12Å; I180-L185 HydrophobicContact CG2-CG 4.38Å |
| 181 | Q | 86.5 | Confident | 77.9 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 152.3 | 176.1 | -56.8 | 105.6 | 53.5 | 0 | 0 | 110.2 | A135 N175 D177 K179 N183 E184 L185 | A135-Q181 HydrophobicContact CB-CG 4.2Å; N175-Q181 PolarHBondContact ND2-NE2 3.01Å; N175-Q181 PolarHBondContact ND2-OE1 3.08Å; N175-Q181 PolarHBondContact OD1-NE2 3.07Å; D177-Q181 VanDerWaalsContact CG-NE2 3.34Å; D177-Q181 PolarHBondContact OD1-NE2 3.36Å; D177-Q181 VanDerWaalsContact OD1-NE2 3.15Å; D177-Q181 PolarHBondContact OD2-NE2 3.37Å; K179-Q181 PolarHBondContact O-NE2 3.29Å; Q181-N183 PolarHBondContact O-N 3.15Å; Q181-N183 VanDerWaalsContact O-N 3.1Å; Q181-E184 HydrophobicContact CB-CG 4.28Å; Q181-E184 VanDerWaalsContact CD-CD 3.4Å; Q181-E184 PolarHBondContact N-OE2 2.88Å; Q181-E184 PolarHBondContact NE2-OE2 2.81Å; Q181-E184 VanDerWaalsContact NE2-OE2 3.09Å; Q181-E184 WeakPolarHBondContact O-CB 3.26Å; Q181-E184 PolarHBondContact O-N 3.39Å; Q181-E184 PolarHBondContact OE1-OE1 3.26Å; Q181-E184 PolarHBondContact OE1-OE2 3.27Å; Q181-E184 VanDerWaalsContact OE1-OE2 3.07Å; Q181-L185 PolarHBondContact O-N 3.21Å |
| 182 | K | 82.9 | Confident | 76.6 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -51.6 | -38.6 | 177.7 | -172.4 | -179.4 | 170.6 | -165 | 0 | 113.2 | F121 E122 F125 G134 A186 | F121-K182 HydrophobicContact CE1-CG 3.8Å; F121-K182 HydrophobicContact CZ-CG 4.18Å; E122-K182 WeakPolarHBondContact OE1-CE 3.46Å; E122-K182 IonicContact OE1-NZ 2.68Å; E122-K182 PolarHBondContact OE1-NZ 2.94Å; E122-K182 WeakPolarHBondContact OE2-CE 3.45Å; E122-K182 IonicContact OE2-NZ 3.06Å; E122-K182 PolarHBondContact OE2-NZ 3.14Å; F125-K182 HydrophobicContact CD1-CB 4.35Å; F125-K182 HydrophobicContact CD1-CD 4.28Å; F125-K182 HydrophobicContact CD1-CG 4.2Å; F125-K182 HydrophobicContact CD2-CB 4.27Å; F125-K182 HydrophobicContact CD2-CG 4.14Å; F125-K182 HydrophobicContact CE1-CB 3.92Å; F125-K182 HydrophobicContact CE1-CD 4.46Å; F125-K182 HydrophobicContact CE1-CG 4.27Å; F125-K182 VanDerWaalsContact CE2-CA 3.46Å; F125-K182 HydrophobicContact CE2-CB 3.81Å; F125-K182 HydrophobicContact CE2-CG 4.19Å; F125-K182 HydrophobicContact CG-CG 4.14Å; F125-K182 HydrophobicContact CZ-CB 3.62Å; F125-K182 HydrophobicContact CZ-CG 4.26Å; G134-K182 PolarHBondContact O-N 2.93Å; K182-A186 WeakPolarHBondContact O-CB 3.3Å; K182-A186 PolarHBondContact O-N 2.92Å |
| 183 | N | 79 | Confident | 75.2 | Confident | 109 Ų | 109 | 66.8 Ų | 66.8 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | -178.7 | -50.1 | -0.7 | 0 | 0 | 0 | 111 | Q181 L187 | Q181-N183 PolarHBondContact O-N 3.15Å; Q181-N183 VanDerWaalsContact O-N 3.1Å; N183-L187 VanDerWaalsContact O-CG 3.3Å; N183-L187 WeakPolarHBondContact O-CG 3.3Å; N183-L187 PolarHBondContact O-N 3.36Å |
| 184 | E | 82.2 | Confident | 73.4 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.056 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 177.9 | -71.3 | -179.4 | 142.2 | 0 | 0 | 111.5 | C172 I174 N175 Q181 A186 L187 C188 | C172-E184 WeakPolarHBondContact O-CB 3.45Å; C172-E184 WeakPolarHBondContact O-CG 3.49Å; I174-E184 PolarHBondContact N-OE1 3.04Å; N175-E184 PolarHBondContact N-OE1 3.32Å; Q181-E184 HydrophobicContact CB-CG 4.28Å; Q181-E184 VanDerWaalsContact CD-CD 3.4Å; Q181-E184 PolarHBondContact N-OE2 2.88Å; Q181-E184 PolarHBondContact NE2-OE2 2.81Å; Q181-E184 VanDerWaalsContact NE2-OE2 3.09Å; Q181-E184 WeakPolarHBondContact O-CB 3.26Å; Q181-E184 PolarHBondContact O-N 3.39Å; Q181-E184 PolarHBondContact OE1-OE1 3.26Å; Q181-E184 PolarHBondContact OE1-OE2 3.27Å; Q181-E184 VanDerWaalsContact OE1-OE2 3.07Å; E184-A186 VanDerWaalsContact C-N 3.3Å; E184-A186 PolarHBondContact O-N 3.48Å; E184-L187 PolarHBondContact O-N 2.98Å; E184-C188 WeakPolarHBondContact O-CB 3.47Å; E184-C188 PolarHBondContact O-N 3.24Å |
| 185 | L | 79.5 | Confident | 73.2 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 178.3 | -169.6 | 63.6 | 0 | 0 | 0 | 111.5 | F121 F125 L136 F144 I180 Q181 C188 L189 | F121-L185 HydrophobicContact CE2-CB 4.17Å; F121-L185 HydrophobicContact CE2-CD2 3.69Å; F121-L185 HydrophobicContact CE2-CG 3.79Å; F121-L185 HydrophobicContact CZ-CB 4.12Å; F121-L185 HydrophobicContact CZ-CD2 4.14Å; F121-L185 HydrophobicContact CZ-CG 4.24Å; F125-L185 HydrophobicContact CD2-CD2 3.91Å; F125-L185 HydrophobicContact CE2-CD2 4.23Å; L136-L185 HydrophobicContact CD1-CD2 4.13Å; F144-L185 HydrophobicContact CE1-CD1 3.72Å; F144-L185 HydrophobicContact CE1-CD2 4.13Å; F144-L185 HydrophobicContact CE2-CD2 4.21Å; F144-L185 HydrophobicContact CZ-CD1 3.99Å; F144-L185 HydrophobicContact CZ-CD2 3.86Å; F144-L185 HydrophobicContact CZ-CG 4.4Å; I180-L185 HydrophobicContact CG2-CB 3.71Å; I180-L185 HydrophobicContact CG2-CD1 4.12Å; I180-L185 HydrophobicContact CG2-CG 4.38Å; Q181-L185 PolarHBondContact O-N 3.21Å; L185-C188 WeakPolarHBondContact O-CB 3.5Å; L185-C188 PolarHBondContact O-N 3.43Å; L185-L189 HydrophobicContact CD1-CD1 4.36Å; L185-L189 HydrophobicContact CG-CD1 4.02Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 2.84Å |
| 186 | A | 77.6 | Confident | 72.8 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F121 K182 E184 C188 L189 G190 L191 L193 | F121-A186 HydrophobicContact CE1-CB 4.08Å; F121-A186 HydrophobicContact CZ-CB 3.95Å; K182-A186 WeakPolarHBondContact O-CB 3.3Å; K182-A186 PolarHBondContact O-N 2.92Å; E184-A186 VanDerWaalsContact C-N 3.3Å; E184-A186 PolarHBondContact O-N 3.48Å; A186-C188 VanDerWaalsContact C-N 3.33Å; A186-C188 PolarHBondContact O-N 3.25Å; A186-L189 CarbonylContact O-C 3.55Å; A186-L189 PolarHBondContact O-N 2.77Å; A186-G190 PolarHBondContact O-N 3.11Å; A186-G190 VanDerWaalsContact O-N 3.14Å; A186-L191 CarbonylContact C-O 3.34Å; A186-L191 HydrophobicContact CB-CB 4.09Å; A186-L191 WeakPolarHBondContact O-CA 3.43Å; A186-L191 WeakPolarHBondContact O-CB 3.1Å; A186-L191 PolarHBondContact O-N 3.42Å; A186-L193 HydrophobicContact CB-CD1 3.32Å; A186-L193 HydrophobicContact CB-CD2 4.5Å; A186-L193 HydrophobicContact CB-CG 3.58Å |
| 187 | L | 75 | Confident | 72.4 | Confident | 111 Ų | 111 | 62.2 Ų | 62.2 | 58% | 0.581 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 175 | -72.9 | 168.6 | 0 | 0 | 0 | 111.6 | N183 E184 L189 G190 | N183-L187 VanDerWaalsContact O-CG 3.3Å; N183-L187 WeakPolarHBondContact O-CG 3.3Å; N183-L187 PolarHBondContact O-N 3.36Å; E184-L187 PolarHBondContact O-N 2.98Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.05Å; L187-G190 PolarHBondContact O-N 3.4Å |
| 188 | C | 70 | Confident | 71.9 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 177.9 | -135 | 0 | 0 | 0 | 0 | 112.2 | C172 E184 L185 A186 G190 | C172-C188 HydrophobicContact CB-CB 3.91Å; C172-C188 WeakPolarHBondContact CB-SG 3.39Å; C172-C188 WeakPolarHBondContact SG-CB 3.28Å; C172-C188 CovalentContact SG-SG 2.06Å; C172-C188 PolarHBondContact SG-SG 3.13Å; E184-C188 WeakPolarHBondContact O-CB 3.47Å; E184-C188 PolarHBondContact O-N 3.24Å; L185-C188 WeakPolarHBondContact O-CB 3.5Å; L185-C188 PolarHBondContact O-N 3.43Å; A186-C188 VanDerWaalsContact C-N 3.33Å; A186-C188 PolarHBondContact O-N 3.25Å; C188-G190 VanDerWaalsContact C-N 3.3Å |
| 189 | L | 67.8 | Low | 71.5 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3 | 177.4 | -65.5 | 173.1 | 0 | 0 | 0 | 113.6 | F121 L185 A186 L187 L191 | F121-L189 HydrophobicContact CD2-CD1 3.78Å; F121-L189 HydrophobicContact CE2-CD1 3.74Å; L185-L189 HydrophobicContact CD1-CD1 4.36Å; L185-L189 HydrophobicContact CG-CD1 4.02Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.43Å; L185-L189 PolarHBondContact O-N 2.84Å; A186-L189 CarbonylContact O-C 3.55Å; A186-L189 PolarHBondContact O-N 2.77Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.05Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 HydrophobicContact CB-CD1 4.49Å; L189-L191 PolarHBondContact O-N 2.77Å |
| 190 | G | 65.8 | Low | 70.5 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 17.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A186 L187 C188 | A186-G190 PolarHBondContact O-N 3.11Å; A186-G190 VanDerWaalsContact O-N 3.14Å; L187-G190 PolarHBondContact O-N 3.4Å; C188-G190 VanDerWaalsContact C-N 3.3Å |
| 191 | L | 61 | Low | 69.5 | Low | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | trans | -88.9 | 116.5 | 173.3 | -64 | 171.4 | 0 | 0 | 0 | 109.3 | L114 R117 F121 A186 L189 L193 | L114-L191 HydrophobicContact CD2-CD2 4.21Å; R117-L191 HydrophobicContact CB-CD2 4.06Å; F121-L191 HydrophobicContact CB-CD1 3.68Å; F121-L191 HydrophobicContact CD1-CD1 4.28Å; F121-L191 HydrophobicContact CD2-CD1 3.82Å; F121-L191 HydrophobicContact CG-CD1 3.65Å; A186-L191 CarbonylContact C-O 3.34Å; A186-L191 HydrophobicContact CB-CB 4.09Å; A186-L191 WeakPolarHBondContact O-CA 3.43Å; A186-L191 WeakPolarHBondContact O-CB 3.1Å; A186-L191 PolarHBondContact O-N 3.42Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 HydrophobicContact CB-CD1 4.49Å; L189-L191 PolarHBondContact O-N 2.77Å; L191-L193 PolarHBondContact O-N 2.59Å | ||
| 192 | K | 50.5 | Low | 68.2 | Low | 181 Ų | 181 | 68.6 Ų | 68.6 | 79% | 0.787 | 40% | 0.398 | S | S | * | . | trans | -77.4 | 104 | 167.2 | -79.8 | -176 | 175.5 | 179.8 | 0 | 109 | S194 | K192-S194 PolarHBondContact O-N 3.01Å; K192-S194 VanDerWaalsContact O-N 3.15Å | ||
| 193 | L | 51 | Low | 67 | Low | 58 Ų | 58 | 70.4 Ų | 70.4 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | trans | -74.8 | 94.6 | 163.2 | -70 | 169.8 | 0 | 0 | 0 | 107.5 | K118 A186 L191 | K118-L193 HydrophobicContact CG-CD2 4.48Å; A186-L193 HydrophobicContact CB-CD1 3.32Å; A186-L193 HydrophobicContact CB-CD2 4.5Å; A186-L193 HydrophobicContact CB-CG 3.58Å; L191-L193 PolarHBondContact O-N 2.59Å | ||
| 194 | S | 44.6 | Very low | 65.9 | Low | 167 Ų | 167 | 66.9 Ų | 66.9 | 100% | 1.168 | 40% | 0.399 | S | S | * | . | trans | -71.9 | 0 | 164.7 | -43 | 0 | 0 | 0 | 0 | 111.2 | K192 | K192-S194 PolarHBondContact O-N 3.01Å; K192-S194 VanDerWaalsContact O-N 3.15Å |
Retrieved 194 of 194 residues in 337.7 ms
(Link to these results)