| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.6 | Low | 78 | Confident | 100 Ų | 100 | 70.5 Ų | 70.5 | 49% | 0.493 | 37% | 0.365 | S | S | . | . | 0 | 147.9 | 0 | -67.1 | -146.4 | -138.2 | 0 | 0 | 110.3 | H635 D695 E696 | M1-H635 PolarHBondContact N-NE2 3.26Å; M1-D695 WeakPolarHBondContact CE-O 2.99Å; M1-E696 HydrophobicContact CE-CB 4.09Å; M1-E696 HydrophobicContact CE-CG 3.92Å; M1-E696 HydrophobicContact SD-CB 4.08Å; M1-E696 HydrophobicContact SD-CG 4.35Å | |||
| 2 | D | 68.4 | Low | 78.7 | Confident | 137 Ų | 137 | 69.1 Ų | 69.1 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 156.3 | 177.4 | -62.3 | -38 | 0 | 0 | 0 | 111.3 | K4 | D2-K4 PolarHBondContact O-N 3.2Š|
| 3 | T | 73.5 | Confident | 79.3 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 127.7 | 175.1 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | L5 K637 | T3-L5 PolarHBondContact O-N 3.21Å; T3-K637 HydrophobicContact CG2-CB 4.26Å; T3-K637 HydrophobicContact CG2-CD 3.8Å |
| 4 | K | 76.2 | Confident | 79.6 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 12% | 0.122 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 127.1 | -178.8 | -52.7 | -55.1 | -160.4 | 161.8 | 0 | 109.7 | D2 F7 L633 Q638 E696 D713 | D2-K4 PolarHBondContact O-N 3.2Å; K4-F7 HydrophobicContact CB-CE2 3.95Å; K4-F7 HydrophobicContact CB-CZ 4.03Å; K4-F7 HydrophobicContact CG-CE2 4.43Å; K4-F7 HydrophobicContact CG-CZ 4.04Å; K4-L633 HydrophobicContact CB-CD2 4.48Å; K4-L633 HydrophobicContact CG-CD2 4.08Å; K4-Q638 PolarHBondContact O-NE2 3.01Å; K4-E696 WeakPolarHBondContact CE-O 3.44Å; K4-E696 PolarHBondContact NZ-O 3.39Å; K4-D713 VanDerWaalsContact CD-OD2 3.22Å; K4-D713 WeakPolarHBondContact CD-OD2 3.4Å; K4-D713 VanDerWaalsContact CE-OD2 3.29Å; K4-D713 WeakPolarHBondContact CE-OD2 3.3Å; K4-D713 IonicContact NZ-OD2 3.87Å; K4-D713 PolarHBondContact NZ-OD2 3.01Å |
| 5 | L | 73.2 | Confident | 79.8 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | trans | -82 | -44.6 | -178 | -70.8 | 176.1 | 0 | 0 | 0 | 111.4 | T3 L678 T715 L719 | T3-L5 PolarHBondContact O-N 3.21Å; L5-L678 WeakPolarHBondContact O-CD1 3.38Å; L5-T715 HydrophobicContact CB-CG2 3.9Å; L5-T715 HydrophobicContact CD1-CG2 3.97Å; L5-T715 HydrophobicContact CG-CG2 3.78Å; L5-T715 PolarHBondContact N-OG1 2.9Å; L5-L719 HydrophobicContact CD1-CD1 4.42Å; L5-L719 HydrophobicContact CD1-CD2 3.69Å; L5-L719 HydrophobicContact CD1-CG 3.81Å | ||
| 6 | K | 84.8 | Confident | 80.2 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | trans | -158.9 | 141.1 | -175.6 | -168.3 | 172 | 177.9 | -178 | 0 | 111.9 | Y680 I714 L718 | K6-Y680 WeakPolarHBondContact CA-OH 3.28Å; K6-Y680 HydrophobicContact CG-CE1 4.24Å; K6-I714 HydrophobicContact CB-CD1 4.29Å; K6-I714 HydrophobicContact CB-CG1 4.12Å; K6-I714 HydrophobicContact CD-CD1 4.06Å; K6-I714 HydrophobicContact CG-CD1 4.08Å; K6-I714 HydrophobicContact CG-CG1 4.32Å; K6-I714 WeakPolarHBondContact O-CG1 3.23Å; K6-I714 PolarHBondContact O-N 2.68Å; K6-I714 VanDerWaalsContact O-N 3.11Å; K6-L718 HydrophobicContact CB-CD1 3.61Å; K6-L718 HydrophobicContact CD-CD1 3.93Å; K6-L718 HydrophobicContact CG-CD1 4.32Å | ||
| 7 | F | 87.9 | Confident | 80.7 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 151.6 | 166.2 | -67.9 | -84.7 | 0 | 0 | 0 | 111.2 | K4 L633 L650 Y680 F699 F711 E712 D713 | K4-F7 HydrophobicContact CB-CE2 3.95Å; K4-F7 HydrophobicContact CB-CZ 4.03Å; K4-F7 HydrophobicContact CG-CE2 4.43Å; K4-F7 HydrophobicContact CG-CZ 4.04Å; F7-L633 HydrophobicContact CE2-CD2 3.78Å; F7-L633 HydrophobicContact CZ-CD2 3.72Å; F7-L650 HydrophobicContact CD2-CD2 4.19Å; F7-L650 HydrophobicContact CE2-CD1 4.45Å; F7-L650 HydrophobicContact CE2-CD2 4.1Å; F7-Y680 HydrophobicContact CB-CE1 4.33Å; F7-Y680 HydrophobicContact CB-CE2 4.32Å; F7-Y680 HydrophobicContact CD2-CE2 4.45Å; F7-Y680 PolarHBondContact N-OH 3.43Å; F7-Y680 WeakPolarHBondContact O-CE1 3.28Å; F7-F699 HydrophobicContact CB-CE1 4.07Å; F7-F699 AromaticContact CD1-CD1 4Å; F7-F699 HydrophobicContact CD1-CD1 4Å; F7-F699 AromaticContact CD1-CE1 3.68Å; F7-F699 HydrophobicContact CD1-CE1 3.68Å; F7-F699 AromaticContact CD2-CE1 3.79Å; F7-F699 HydrophobicContact CD2-CE1 3.79Å; F7-F699 AromaticContact CE1-CD1 3.97Å; F7-F699 HydrophobicContact CE1-CD1 3.97Å; F7-F699 HydrophobicContact CE1-CE1 4.02Å; F7-F699 HydrophobicContact CE2-CE1 4.12Å; F7-F699 HydrophobicContact CG-CD1 4.32Å; F7-F699 AromaticContact CG-CE1 3.56Å; F7-F699 HydrophobicContact CG-CE1 3.56Å; F7-F699 HydrophobicContact CG-CZ 4.43Å; F7-F699 HydrophobicContact CZ-CD1 4.26Å; F7-F699 HydrophobicContact CZ-CE1 4.23Å; F7-F711 HydrophobicContact CB-CB 4.22Å; F7-F711 HydrophobicContact CB-CD1 4.37Å; F7-E712 CarbonylContact C-O 3.48Å; F7-E712 VanDerWaalsContact CA-O 3.32Å; F7-E712 WeakPolarHBondContact CA-O 3.35Å; F7-D713 HydrophobicContact CD1-CB 4.19Å; F7-D713 HydrophobicContact CE1-CB 3.85Å |
| 8 | K | 87 | Confident | 81.1 | Confident | 118 Ų | 118 | 52.5 Ų | 52.5 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 137.4 | 173.1 | -174.8 | -176.6 | 175.1 | -172.6 | 0 | 109.1 | A10 F711 E712 I714 | K8-A10 PolarHBondContact O-N 3.49Å; K8-F711 CarbonylContact O-C 3.56Å; K8-F711 VanDerWaalsContact O-CA 3.3Å; K8-F711 WeakPolarHBondContact O-CA 3.46Å; K8-E712 HydrophobicContact CB-CG 4.43Å; K8-E712 PolarHBondContact N-O 3.13Å; K8-E712 PolarHBondContact O-N 3.26Å; K8-I714 HydrophobicContact CB-CD1 3.93Å; K8-I714 HydrophobicContact CB-CG1 4.2Å; K8-I714 HydrophobicContact CB-CG2 3.78Å; K8-I714 HydrophobicContact CD-CG2 4.38Å |
| 9 | L | 87 | Confident | 81.2 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 109.1 | 168.8 | -178.6 | 65.4 | 0 | 0 | 0 | 108.1 | C709 F711 | L9-C709 HydrophobicContact CD1-CB 3.67Å; L9-F711 HydrophobicContact CB-CD1 4.23Å; L9-F711 HydrophobicContact CB-CE1 3.84Å; L9-F711 HydrophobicContact CB-CZ 4.28Å; L9-F711 HydrophobicContact CD1-CD2 4.37Å; L9-F711 HydrophobicContact CD1-CE1 4.24Å; L9-F711 HydrophobicContact CD1-CE2 3.99Å; L9-F711 HydrophobicContact CD1-CZ 3.91Å |
| 10 | A | 84.5 | Confident | 81.4 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -42.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K8 Y710 E712 | K8-A10 PolarHBondContact O-N 3.49Å; A10-Y710 HydrophobicContact CB-CD1 3.69Å; A10-Y710 HydrophobicContact CB-CE1 3.92Å; A10-Y710 PolarHBondContact N-O 3.07Å; A10-E712 HydrophobicContact CB-CB 3.78Å; A10-E712 HydrophobicContact CB-CG 3.75Å |
| 11 | D | 83.9 | Confident | 81.7 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 159.1 | 175.3 | -161.5 | 13.7 | 0 | 0 | 0 | 111.7 | Y392 W414 Y710 | D11-Y392 HydrophobicContact CB-CD2 4.37Å; D11-Y392 HydrophobicContact CB-CG 4.24Å; D11-Y392 WeakPolarHBondContact OD2-CD2 3.49Å; D11-Y392 WeakPolarHBondContact OD2-CE2 3.22Å; D11-W414 HydrophobicContact CB-CZ2 4.39Å; D11-W414 PolarHBondContact OD2-NE1 3.43Å; D11-Y710 PolarHBondContact N-O 3Å; D11-Y710 PolarHBondContact O-N 3.32Å |
| 12 | K | 86 | Confident | 83.4 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 114.8 | -179 | -178.9 | 168.8 | 179.5 | 157.2 | 0 | 110.1 | Q14 A682 D705 T707 L708 C709 | K12-Q14 HydrophobicContact CD-CG 4.21Å; K12-Q14 HydrophobicContact CG-CG 3.87Å; K12-Q14 PolarHBondContact O-N 3.43Å; K12-A682 PolarHBondContact NZ-O 3.1Å; K12-D705 IonicContact NZ-OD2 3.23Å; K12-D705 PolarHBondContact NZ-OD2 3.02Å; K12-T707 WeakPolarHBondContact CE-OG1 3.36Å; K12-T707 PolarHBondContact NZ-OG1 3.15Å; K12-L708 CarbonylContact C-O 3.56Å; K12-L708 VanDerWaalsContact CA-O 3.29Å; K12-L708 WeakPolarHBondContact CA-O 3.11Å; K12-C709 VanDerWaalsContact CD-SG 3.57Å |
| 13 | F | 86.4 | Confident | 84.4 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 126.1 | 164.4 | -177.9 | -95.7 | 0 | 0 | 0 | 108.8 | I360 F388 W414 T707 L708 | F13-I360 HydrophobicContact CD1-CD1 3.52Å; F13-I360 HydrophobicContact CD1-CG1 4.06Å; F13-I360 HydrophobicContact CD1-CG2 4.35Å; F13-I360 HydrophobicContact CE1-CB 4.19Å; F13-I360 HydrophobicContact CE1-CD1 3.69Å; F13-I360 HydrophobicContact CE1-CG1 3.73Å; F13-I360 HydrophobicContact CE1-CG2 3.51Å; F13-I360 HydrophobicContact CZ-CG2 3.98Å; F13-F388 HydrophobicContact CD1-CZ 4.4Å; F13-F388 HydrophobicContact CD2-CE1 4.07Å; F13-F388 HydrophobicContact CD2-CZ 4.19Å; F13-F388 HydrophobicContact CE1-CZ 4.36Å; F13-F388 HydrophobicContact CE2-CE1 4.04Å; F13-F388 HydrophobicContact CE2-CZ 4.12Å; F13-F388 HydrophobicContact CG-CZ 4.3Å; F13-F388 HydrophobicContact CZ-CZ 4.2Å; F13-W414 HydrophobicContact CB-CD2 3.73Å; F13-W414 HydrophobicContact CB-CE3 3.79Å; F13-W414 HydrophobicContact CB-CG 4.33Å; F13-W414 HydrophobicContact CB-CH2 4.06Å; F13-W414 HydrophobicContact CB-CZ2 4.01Å; F13-W414 HydrophobicContact CB-CZ3 3.96Å; F13-W414 HydrophobicContact CD2-CB 3.62Å; F13-W414 AromaticContact CD2-CD2 3.84Å; F13-W414 HydrophobicContact CD2-CD2 3.84Å; F13-W414 HydrophobicContact CD2-CE3 4.08Å; F13-W414 AromaticContact CD2-CG 3.65Å; F13-W414 HydrophobicContact CD2-CG 3.65Å; F13-W414 HydrophobicContact CE2-CB 4.03Å; F13-W414 HydrophobicContact CG-CD2 4.22Å; F13-W414 HydrophobicContact CG-CE3 4.23Å; F13-W414 HydrophobicContact CG-CG 4.46Å; F13-T707 WeakPolarHBondContact O-CA 3.48Å; F13-T707 VanDerWaalsContact O-CB 3.24Å; F13-T707 WeakPolarHBondContact O-CB 3.37Å; F13-L708 HydrophobicContact CB-CB 3.97Å; F13-L708 HydrophobicContact CB-CD1 4.49Å; F13-L708 PolarHBondContact N-O 3.26Å; F13-L708 PolarHBondContact O-N 2.97Å; F13-L708 VanDerWaalsContact O-N 3.08Å |
| 14 | Q | 83.3 | Confident | 85.1 | Confident | 65 Ų | 65 | 45 Ų | 45 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | trans | -123.2 | 146.2 | 173.6 | -59.9 | -176.8 | -0.2 | 0 | 0 | 108.8 | K12 C16 T707 | K12-Q14 HydrophobicContact CD-CG 4.21Å; K12-Q14 HydrophobicContact CG-CG 3.87Å; K12-Q14 PolarHBondContact O-N 3.43Å; Q14-C16 PolarHBondContact O-N 2.81Å; Q14-T707 HydrophobicContact CG-CG2 4.27Å | ||
| 15 | P | 83.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | trans | -58.4 | 133.3 | 170.2 | -12.5 | 20.4 | 0 | 0 | 0 | 109.6 | R35 G358 D359 E706 | P15-R35 VanDerWaalsContact CD-NH1 3.28Å; P15-R35 VanDerWaalsContact CG-NH1 3.26Å; P15-R35 VanDerWaalsContact O-CD 3.25Å; P15-R35 WeakPolarHBondContact O-CD 3.38Å; P15-R35 PolarHBondContact O-NH1 3.11Å; P15-G358 CarbonylContact C-O 3.48Å; P15-G358 VanDerWaalsContact CA-O 3.25Å; P15-G358 WeakPolarHBondContact CA-O 3.22Å; P15-G358 WeakPolarHBondContact CB-O 3.25Å; P15-D359 HydrophobicContact CB-CB 3.89Å; P15-D359 WeakPolarHBondContact CB-OD1 3.44Å; P15-D359 WeakPolarHBondContact CG-OD1 3.33Å; P15-E706 WeakPolarHBondContact CD-O 3.48Å; P15-E706 HydrophobicContact CG-CB 3.65Å; P15-E706 WeakPolarHBondContact CG-O 3.47Å | ||
| 16 | C | 85.6 | Confident | 86.2 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 5% | 0.054 | 20% | 0.202 | C | C | . | . | trans | -119.7 | -16.1 | -168.8 | 56.3 | 0 | 0 | 0 | 0 | 113 | Q14 C33 N44 L46 G358 | Q14-C16 PolarHBondContact O-N 2.81Å; C16-C33 PolarHBondContact O-SG 3.12Å; C16-C33 VanDerWaalsContact O-SG 3.34Å; C16-N44 WeakPolarHBondContact CA-ND2 3.27Å; C16-N44 HydrophobicContact CB-CB 4.48Å; C16-N44 PolarHBondContact O-ND2 3.31Å; C16-L46 HydrophobicContact CB-CD1 4.13Å; C16-L46 HydrophobicContact CB-CD2 3.9Å; C16-L46 HydrophobicContact CB-CG 4.49Å; C16-G358 PolarHBondContact N-O 3.5Å | ||
| 17 | F | 88.8 | Confident | 86 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | trans | -146.9 | 136.2 | -169 | 170.6 | -112.2 | 0 | 0 | 0 | 113.7 | S19 Y21 I23 C33 V336 N340 V342 F356 G358 | F17-S19 VanDerWaalsContact CZ-CA 3.49Å; F17-Y21 WeakPolarHBondContact CE2-O 3.43Å; F17-I23 HydrophobicContact CD1-CD1 3.82Å; F17-I23 HydrophobicContact CD2-CD1 3.8Å; F17-I23 HydrophobicContact CD2-CG1 3.72Å; F17-I23 HydrophobicContact CE1-CD1 3.52Å; F17-I23 HydrophobicContact CE1-CG1 4.25Å; F17-I23 HydrophobicContact CE2-CD1 3.48Å; F17-I23 VanDerWaalsContact CE2-CD1 3.48Å; F17-I23 HydrophobicContact CE2-CG1 3.24Å; F17-I23 HydrophobicContact CG-CD1 3.93Å; F17-I23 HydrophobicContact CG-CG1 4.35Å; F17-I23 HydrophobicContact CZ-CD1 3.3Å; F17-I23 HydrophobicContact CZ-CG1 3.53Å; F17-C33 HydrophobicContact CB-CB 4.14Å; F17-C33 HydrophobicContact CD2-CB 3.69Å; F17-C33 HydrophobicContact CG-CB 4.23Å; F17-V336 HydrophobicContact CE1-CG1 3.48Å; F17-V336 VanDerWaalsContact CE1-CG1 3.48Å; F17-V336 HydrophobicContact CZ-CG1 3.64Å; F17-N340 HydrophobicContact CD1-CB 4.31Å; F17-V342 HydrophobicContact CD1-CG2 3.83Å; F17-V342 HydrophobicContact CE1-CG2 3.87Å; F17-F356 HydrophobicContact CB-CE2 4.37Å; F17-G358 PolarHBondContact N-O 3.06Å; F17-G358 VanDerWaalsContact N-O 3.15Å; F17-G358 CarbonylContact O-C 3.45Å | ||
| 18 | N | 87.6 | Confident | 85.4 | Confident | 29 Ų | 29 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | trans | -116.8 | 128.2 | 169.3 | 179.3 | -0.6 | 0 | 0 | 0 | 110.2 | Q20 Y21 G34 D36 | N18-Q20 PolarHBondContact O-N 3.11Å; N18-Q20 WeakPolarHBondContact OD1-CG 3.3Å; N18-Q20 PolarHBondContact OD1-N 3.5Å; N18-Y21 HydrophobicContact CB-CD2 4.07Å; N18-Y21 HydrophobicContact CB-CE2 4.41Å; N18-Y21 PolarHBondContact O-N 3.29Å; N18-G34 PolarHBondContact N-O 3.06Å; N18-D36 PolarHBondContact ND2-OD2 2.93Å | ||
| 19 | S | 84.2 | Confident | 85 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -11.8 | -177.4 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | F17 Y21 R337 Q338 N340 | F17-S19 VanDerWaalsContact CZ-CA 3.49Å; S19-Y21 VanDerWaalsContact C-N 3.25Å; S19-R337 WeakPolarHBondContact CB-O 3.19Å; S19-Q338 PolarHBondContact OG-O 3.14Å; S19-Q338 VanDerWaalsContact OG-O 3.07Å; S19-N340 WeakPolarHBondContact CB-OD1 3.33Å; S19-N340 PolarHBondContact N-OD1 3.4Å; S19-N340 PolarHBondContact OG-OD1 3.39Å |
| 20 | Q | 84.5 | Confident | 84.9 | Confident | 148 Ų | 148 | 33.9 Ų | 33.9 | 69% | 0.692 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -25.4 | 170.8 | -63.1 | -176.9 | 12.3 | 0 | 0 | 112.7 | N18 | N18-Q20 PolarHBondContact O-N 3.11Å; N18-Q20 WeakPolarHBondContact OD1-CG 3.3Å; N18-Q20 PolarHBondContact OD1-N 3.5Å |
| 21 | Y | 88.6 | Confident | 85.1 | Confident | 48 Ų | 48 | 31.9 Ų | 31.9 | 19% | 0.188 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -100.6 | 153 | -178.7 | -61.2 | -65.1 | 0 | 0 | 0 | 112.1 | F17 N18 S19 D36 L41 | F17-Y21 WeakPolarHBondContact CE2-O 3.43Å; N18-Y21 HydrophobicContact CB-CD2 4.07Å; N18-Y21 HydrophobicContact CB-CE2 4.41Å; N18-Y21 PolarHBondContact O-N 3.29Å; S19-Y21 VanDerWaalsContact C-N 3.25Å; Y21-D36 WeakPolarHBondContact CE2-OD2 3.41Å; Y21-D36 PolarHBondContact OH-OD1 2.81Å; Y21-D36 PolarHBondContact OH-OD2 3.42Å; Y21-L41 HydrophobicContact CD1-CD1 3.88Å; Y21-L41 HydrophobicContact CD1-CD2 3.81Å; Y21-L41 HydrophobicContact CD2-CD1 3.7Å; Y21-L41 HydrophobicContact CE1-CD1 3.81Å; Y21-L41 HydrophobicContact CE1-CD2 3.56Å; Y21-L41 HydrophobicContact CE1-CG 4.19Å; Y21-L41 HydrophobicContact CE2-CD1 3.63Å; Y21-L41 HydrophobicContact CG-CD1 3.84Å |
| 22 | P | 86.1 | Confident | 85.4 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | trans | -69.7 | 153.4 | 174.8 | 30.2 | -35.3 | 0 | 0 | 0 | 111.8 | F24 F66 | P22-F24 HydrophobicContact CB-CD2 4.48Å; P22-F24 HydrophobicContact CB-CE1 4.47Å; P22-F24 HydrophobicContact CB-CE2 3.74Å; P22-F24 HydrophobicContact CB-CZ 3.73Å; P22-F24 HydrophobicContact CG-CD2 4.48Å; P22-F24 HydrophobicContact CG-CE2 3.52Å; P22-F24 HydrophobicContact CG-CZ 3.79Å; P22-F66 HydrophobicContact CG-CE1 4.17Å; P22-F66 HydrophobicContact CG-CZ 4.22Å; P22-F66 WeakPolarHBondContact O-CZ 3.4Å | ||
| 23 | I | 89.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.4 | 167.5 | -70.5 | 179.3 | 0 | 0 | 0 | 108.5 | F17 I31 Y32 C33 V336 V342 | F17-I23 HydrophobicContact CD1-CD1 3.82Å; F17-I23 HydrophobicContact CD2-CD1 3.8Å; F17-I23 HydrophobicContact CD2-CG1 3.72Å; F17-I23 HydrophobicContact CE1-CD1 3.52Å; F17-I23 HydrophobicContact CE1-CG1 4.25Å; F17-I23 HydrophobicContact CE2-CD1 3.48Å; F17-I23 VanDerWaalsContact CE2-CD1 3.48Å; F17-I23 HydrophobicContact CE2-CG1 3.24Å; F17-I23 HydrophobicContact CG-CD1 3.93Å; F17-I23 HydrophobicContact CG-CG1 4.35Å; F17-I23 HydrophobicContact CZ-CD1 3.3Å; F17-I23 HydrophobicContact CZ-CG1 3.53Å; I23-I31 HydrophobicContact CG2-CG2 3.61Å; I23-Y32 WeakPolarHBondContact CA-O 3.44Å; I23-C33 HydrophobicContact CG1-CB 4.06Å; I23-V336 HydrophobicContact CD1-CG1 4.45Å; I23-V336 HydrophobicContact CD1-CG2 3.84Å; I23-V342 HydrophobicContact CD1-CG1 4.21Å; I23-V342 HydrophobicContact CD1-CG2 3.57Å |
| 24 | F | 89.5 | Confident | 85.8 | Confident | 47 Ų | 47 | 26.9 Ų | 26.9 | 21% | 0.206 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 99.8 | 174.9 | -59.4 | -74.7 | 0 | 0 | 0 | 110 | P22 Y32 F66 V67 V68 | P22-F24 HydrophobicContact CB-CD2 4.48Å; P22-F24 HydrophobicContact CB-CE1 4.47Å; P22-F24 HydrophobicContact CB-CE2 3.74Å; P22-F24 HydrophobicContact CB-CZ 3.73Å; P22-F24 HydrophobicContact CG-CD2 4.48Å; P22-F24 HydrophobicContact CG-CE2 3.52Å; P22-F24 HydrophobicContact CG-CZ 3.79Å; F24-Y32 PolarHBondContact N-O 3.14Å; F24-Y32 PolarHBondContact O-N 3.31Å; F24-F66 HydrophobicContact CD2-CD2 4.11Å; F24-F66 AromaticContact CD2-CE2 3.6Å; F24-F66 HydrophobicContact CD2-CE2 3.6Å; F24-F66 HydrophobicContact CD2-CZ 4.31Å; F24-F66 AromaticContact CE2-CD2 3.99Å; F24-F66 HydrophobicContact CE2-CD2 3.99Å; F24-F66 AromaticContact CE2-CE2 3.75Å; F24-F66 HydrophobicContact CE2-CE2 3.75Å; F24-F66 HydrophobicContact CE2-CZ 4.29Å; F24-V67 HydrophobicContact CE1-CG2 4.18Å; F24-V67 HydrophobicContact CZ-CB 4.29Å; F24-V67 HydrophobicContact CZ-CG2 4.02Å; F24-V68 HydrophobicContact CB-CB 3.93Å; F24-V68 HydrophobicContact CB-CG2 4.2Å; F24-V68 HydrophobicContact CD2-CB 4.31Å; F24-V68 HydrophobicContact CD2-CG2 4Å; F24-V68 HydrophobicContact CG-CB 4.18Å; F24-V68 HydrophobicContact CG-CG2 4.33Å |
| 25 | P | 86.9 | Confident | 86 | Confident | 19 Ų | 19 | 26.1 Ų | 26.1 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 146.2 | 165.7 | 36.8 | -40.1 | 0 | 0 | 0 | 110 | Y313 I334 | P25-Y313 HydrophobicContact CB-CD1 4.22Å; P25-Y313 HydrophobicContact CB-CD2 3.64Å; P25-Y313 HydrophobicContact CB-CE1 4.1Å; P25-Y313 HydrophobicContact CB-CE2 3.44Å; P25-Y313 VanDerWaalsContact CB-CE2 3.44Å; P25-Y313 HydrophobicContact CB-CG 4.01Å; P25-Y313 HydrophobicContact CG-CD1 3.68Å; P25-Y313 HydrophobicContact CG-CD2 3.63Å; P25-Y313 HydrophobicContact CG-CE1 4.01Å; P25-Y313 HydrophobicContact CG-CE2 3.92Å; P25-Y313 HydrophobicContact CG-CG 3.49Å; P25-Y313 VanDerWaalsContact CG-CG 3.49Å; P25-I334 HydrophobicContact CB-CD1 3.69Å; P25-I334 HydrophobicContact CG-CD1 3.37Å |
| 26 | T | 85 | Confident | 86.1 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | trans | -114.9 | 156.7 | 178.4 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | S28 G29 N30 Y32 V68 E70 G72 | T26-S28 WeakPolarHBondContact CB-OG 3.5Å; T26-S28 PolarHBondContact O-N 2.98Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-OG 2.93Å; T26-G29 PolarHBondContact O-N 2.95Å; T26-G29 VanDerWaalsContact O-N 3.16Å; T26-N30 PolarHBondContact N-O 2.77Å; T26-N30 PolarHBondContact OG1-N 3.3Å; T26-N30 PolarHBondContact OG1-O 2.83Å; T26-Y32 HydrophobicContact CG2-CD2 3.69Å; T26-Y32 HydrophobicContact CG2-CE2 3.55Å; T26-V68 HydrophobicContact CG2-CG1 4.1Å; T26-E70 WeakPolarHBondContact CA-O 3.45Å; T26-G72 VanDerWaalsContact CG2-CA 3.45Å | ||
| 27 | E | 79.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 29.9 Ų | 29.9 | 20% | 0.201 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.5 | 176 | -65.1 | -169.6 | 160.3 | 0 | 0 | 112.8 | G29 E70 K316 | E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 2.77Å; E27-E70 PolarHBondContact N-O 3.12Å; E27-K316 HydrophobicContact CB-CD 4.37Å; E27-K316 VanDerWaalsContact OE2-CE 3.22Å; E27-K316 WeakPolarHBondContact OE2-CE 3.44Å; E27-K316 IonicContact OE2-NZ 3.7Å; E27-K316 PolarHBondContact OE2-NZ 3.35Å |
| 28 | S | 75.2 | Confident | 85.1 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.1 | 178.1 | 42.5 | 0 | 0 | 0 | 0 | 114.7 | T26 A71 | T26-S28 WeakPolarHBondContact CB-OG 3.5Å; T26-S28 PolarHBondContact O-N 2.98Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-OG 2.93Å; S28-A71 PolarHBondContact OG-O 3.06Å |
| 29 | G | 78.5 | Confident | 84.5 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 85.9 | 16 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T26 E27 E48 | T26-G29 PolarHBondContact O-N 2.95Å; T26-G29 VanDerWaalsContact O-N 3.16Å; E27-G29 VanDerWaalsContact C-N 3.26Å; E27-G29 PolarHBondContact O-N 2.77Å; G29-E48 WeakPolarHBondContact O-CB 3.04Å; G29-E48 PolarHBondContact O-N 3.46Å |
| 30 | N | 86.3 | Confident | 84.4 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 150.7 | 172.7 | -69.7 | -26.4 | 0 | 0 | 0 | 110.6 | T26 Y32 V45 L46 | T26-N30 PolarHBondContact N-O 2.77Å; T26-N30 PolarHBondContact OG1-N 3.3Å; T26-N30 PolarHBondContact OG1-O 2.83Å; N30-Y32 HydrophobicContact CB-CE2 3.98Å; N30-V45 HydrophobicContact CB-CG1 4.05Å; N30-L46 CarbonylContact C-O 3.58Å; N30-L46 WeakPolarHBondContact CA-O 3.38Å |
| 31 | I | 88.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.5 | 176.4 | -59.5 | 160.9 | 0 | 0 | 0 | 108.4 | I23 V45 L46 E48 F51 F344 F356 | I23-I31 HydrophobicContact CG2-CG2 3.61Å; I31-V45 WeakPolarHBondContact O-CA 3.4Å; I31-L46 HydrophobicContact CB-CB 4.32Å; I31-L46 PolarHBondContact N-O 3.06Å; I31-L46 PolarHBondContact O-N 2.61Å; I31-E48 HydrophobicContact CD1-CB 4.09Å; I31-E48 HydrophobicContact CD1-CG 4.22Å; I31-E48 HydrophobicContact CG1-CB 4.36Å; I31-F51 HydrophobicContact CD1-CD1 4.08Å; I31-F51 HydrophobicContact CD1-CE1 3.63Å; I31-F344 HydrophobicContact CD1-CE1 4.16Å; I31-F344 HydrophobicContact CD1-CE2 4.35Å; I31-F344 HydrophobicContact CD1-CZ 3.57Å; I31-F344 HydrophobicContact CG1-CZ 4.48Å; I31-F356 HydrophobicContact CD1-CE1 4.47Å |
| 32 | Y | 90.2 | Very high | 84.5 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126 | 175.3 | -64.9 | -99.6 | 0 | 0 | 0 | 109.6 | I23 F24 T26 N30 I43 N44 V45 V68 G72 I75 S89 | I23-Y32 WeakPolarHBondContact CA-O 3.44Å; F24-Y32 PolarHBondContact N-O 3.14Å; F24-Y32 PolarHBondContact O-N 3.31Å; T26-Y32 HydrophobicContact CG2-CD2 3.69Å; T26-Y32 HydrophobicContact CG2-CE2 3.55Å; N30-Y32 HydrophobicContact CB-CE2 3.98Å; Y32-I43 HydrophobicContact CD1-CG2 4.25Å; Y32-N44 WeakPolarHBondContact CA-O 3.46Å; Y32-V45 HydrophobicContact CD1-CG1 4.44Å; Y32-V45 HydrophobicContact CD1-CG2 3.64Å; Y32-V45 HydrophobicContact CE1-CB 4.29Å; Y32-V45 HydrophobicContact CE1-CG1 3.98Å; Y32-V45 HydrophobicContact CE1-CG2 3.39Å; Y32-V45 HydrophobicContact CE2-CG1 4.4Å; Y32-V68 HydrophobicContact CD1-CG2 4.11Å; Y32-V68 HydrophobicContact CD2-CB 4.5Å; Y32-V68 HydrophobicContact CD2-CG1 3.83Å; Y32-V68 HydrophobicContact CD2-CG2 4.31Å; Y32-V68 HydrophobicContact CE2-CG1 4.01Å; Y32-V68 HydrophobicContact CG-CB 4.46Å; Y32-V68 HydrophobicContact CG-CG1 4.12Å; Y32-V68 HydrophobicContact CG-CG2 3.79Å; Y32-G72 PolarHBondContact OH-O 2.76Å; Y32-I75 HydrophobicContact CD1-CD1 3.92Å; Y32-I75 HydrophobicContact CD1-CG1 4.45Å; Y32-I75 HydrophobicContact CE1-CD1 3.33Å; Y32-I75 HydrophobicContact CE1-CG1 4.07Å; Y32-S89 PolarHBondContact OH-OG 2.91Å |
| 33 | C | 90.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.5 | -174.9 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | C16 F17 I23 I43 N44 | C16-C33 PolarHBondContact O-SG 3.12Å; C16-C33 VanDerWaalsContact O-SG 3.34Å; F17-C33 HydrophobicContact CB-CB 4.14Å; F17-C33 HydrophobicContact CD2-CB 3.69Å; F17-C33 HydrophobicContact CG-CB 4.23Å; I23-C33 HydrophobicContact CG1-CB 4.06Å; C33-I43 CarbonylContact O-C 3.56Å; C33-I43 WeakPolarHBondContact O-CA 3.26Å; C33-N44 PolarHBondContact N-O 2.95Å; C33-N44 PolarHBondContact O-N 3.39Å; C33-N44 PolarHBondContact SG-O 2.71Å |
| 34 | G | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 144.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N18 C42 | N18-G34 PolarHBondContact N-O 3.06Å; G34-C42 WeakPolarHBondContact CA-O 3.4Å |
| 35 | R | 88.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 19% | 0.185 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 144.5 | 170.9 | -175.3 | -170 | 173.6 | 175.1 | 8.5 | 110.8 | P15 V37 L41 C42 E706 | P15-R35 VanDerWaalsContact CD-NH1 3.28Å; P15-R35 VanDerWaalsContact CG-NH1 3.26Å; P15-R35 VanDerWaalsContact O-CD 3.25Å; P15-R35 WeakPolarHBondContact O-CD 3.38Å; P15-R35 PolarHBondContact O-NH1 3.11Å; R35-V37 HydrophobicContact CG-CG2 4.5Å; R35-L41 CarbonylContact O-C 3.58Å; R35-L41 WeakPolarHBondContact O-CA 3.41Å; R35-C42 PolarHBondContact N-O 3Å; R35-C42 PolarHBondContact O-N 2.77Å; R35-C42 PolarHBondContact O-SG 3.31Å; R35-E706 IonicContact NH2-OE2 2.9Å; R35-E706 PolarHBondContact NH2-OE2 3.15Å |
| 36 | D | 83.9 | Confident | 84.6 | Confident | 56 Ų | 56 | 29.3 Ų | 29.3 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.4 | 165.8 | -61 | -53.1 | 0 | 0 | 0 | 111.5 | N18 Y21 S40 | N18-D36 PolarHBondContact ND2-OD2 2.93Å; Y21-D36 WeakPolarHBondContact CE2-OD2 3.41Å; Y21-D36 PolarHBondContact OH-OD1 2.81Å; Y21-D36 PolarHBondContact OH-OD2 3.42Å; D36-S40 CarbonylContact C-O 3.52Å; D36-S40 WeakPolarHBondContact CA-O 3.34Å |
| 37 | V | 77.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 31.3 Ų | 31.3 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.2 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 106.8 | R35 D39 S40 C42 | R35-V37 HydrophobicContact CG-CG2 4.5Å; V37-D39 PolarHBondContact O-N 3.3Å; V37-S40 PolarHBondContact N-O 2.76Å; V37-S40 WeakPolarHBondContact O-CA 3.43Å; V37-S40 PolarHBondContact O-N 3.13Å; V37-S40 PolarHBondContact O-OG 3.32Å; V37-C42 VanDerWaalsContact CG2-SG 3.56Å |
| 38 | D | 76.8 | Confident | 84.4 | Confident | 150 Ų | 150 | 29.5 Ų | 29.5 | 80% | 0.802 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 49.5 | -179.1 | -54.6 | -36.5 | 0 | 0 | 0 | 113.6 | S40 | D38-S40 PolarHBondContact O-N 3.5Å; D38-S40 VanDerWaalsContact O-N 3.12Å |
| 39 | D | 74.4 | Confident | 84.5 | Confident | 155 Ų | 155 | 31.7 Ų | 31.7 | 83% | 0.829 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 9.3 | -175.2 | -59 | -34.7 | 0 | 0 | 0 | 115.5 | V37 L62 | V37-D39 PolarHBondContact O-N 3.3Å; D39-L62 WeakPolarHBondContact O-CD2 3.39Å |
| 40 | S | 82.5 | Confident | 84.1 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130 | 178.5 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | D36 V37 D38 C42 | D36-S40 CarbonylContact C-O 3.52Å; D36-S40 WeakPolarHBondContact CA-O 3.34Å; V37-S40 PolarHBondContact N-O 2.76Å; V37-S40 WeakPolarHBondContact O-CA 3.43Å; V37-S40 PolarHBondContact O-N 3.13Å; V37-S40 PolarHBondContact O-OG 3.32Å; D38-S40 PolarHBondContact O-N 3.5Å; D38-S40 VanDerWaalsContact O-N 3.12Å; S40-C42 PolarHBondContact O-N 2.97Å |
| 41 | L | 87.2 | Confident | 83.9 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 122.9 | 174.3 | 169.9 | 62.8 | 0 | 0 | 0 | 110.1 | Y21 R35 I63 F66 | Y21-L41 HydrophobicContact CD1-CD1 3.88Å; Y21-L41 HydrophobicContact CD1-CD2 3.81Å; Y21-L41 HydrophobicContact CD2-CD1 3.7Å; Y21-L41 HydrophobicContact CE1-CD1 3.81Å; Y21-L41 HydrophobicContact CE1-CD2 3.56Å; Y21-L41 HydrophobicContact CE1-CG 4.19Å; Y21-L41 HydrophobicContact CE2-CD1 3.63Å; Y21-L41 HydrophobicContact CG-CD1 3.84Å; R35-L41 CarbonylContact O-C 3.58Å; R35-L41 WeakPolarHBondContact O-CA 3.41Å; L41-I63 HydrophobicContact CB-CB 4.04Å; L41-I63 WeakPolarHBondContact CB-O 3.48Å; L41-I63 HydrophobicContact CD2-CB 3.99Å; L41-I63 HydrophobicContact CD2-CG2 3.66Å; L41-I63 HydrophobicContact CG-CB 4.08Å; L41-I63 HydrophobicContact CG-CG2 4.19Å; L41-I63 WeakPolarHBondContact O-CD1 3.49Å; L41-F66 HydrophobicContact CD2-CD1 4.32Å |
| 42 | C | 88.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 148.9 | 169.3 | 73.8 | 0 | 0 | 0 | 0 | 110.7 | G34 R35 V37 S40 R56 | G34-C42 WeakPolarHBondContact CA-O 3.4Å; R35-C42 PolarHBondContact N-O 3Å; R35-C42 PolarHBondContact O-N 2.77Å; R35-C42 PolarHBondContact O-SG 3.31Å; V37-C42 VanDerWaalsContact CG2-SG 3.56Å; S40-C42 PolarHBondContact O-N 2.97Å; C42-R56 HydrophobicContact CB-CG 4.23Å |
| 43 | I | 90.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.6 | 176.7 | -54.6 | 168.5 | 0 | 0 | 0 | 108.2 | Y32 C33 I57 I63 F66 I75 I77 | Y32-I43 HydrophobicContact CD1-CG2 4.25Å; C33-I43 CarbonylContact O-C 3.56Å; C33-I43 WeakPolarHBondContact O-CA 3.26Å; I43-I57 HydrophobicContact CB-CB 4.26Å; I43-I57 PolarHBondContact N-O 3.05Å; I43-I57 PolarHBondContact O-N 2.78Å; I43-I63 HydrophobicContact CD1-CD1 4.39Å; I43-I63 HydrophobicContact CG1-CD1 4.47Å; I43-F66 HydrophobicContact CD1-CB 3.56Å; I43-F66 HydrophobicContact CD1-CD1 4.14Å; I43-F66 HydrophobicContact CD1-CD2 3.8Å; I43-F66 HydrophobicContact CD1-CG 3.58Å; I43-F66 HydrophobicContact CG1-CB 4.4Å; I43-F66 HydrophobicContact CG1-CD1 4.06Å; I43-F66 HydrophobicContact CG1-CD2 4.15Å; I43-F66 HydrophobicContact CG1-CE1 4.37Å; I43-F66 HydrophobicContact CG1-CE2 4.44Å; I43-F66 HydrophobicContact CG1-CG 3.95Å; I43-F66 HydrophobicContact CG2-CD2 4.23Å; I43-F66 HydrophobicContact CG2-CE2 4.01Å; I43-F66 HydrophobicContact CG2-CZ 4.47Å; I43-I75 HydrophobicContact CD1-CG2 4.45Å; I43-I77 HydrophobicContact CD1-CD1 3.52Å; I43-I77 HydrophobicContact CD1-CG1 3.84Å |
| 44 | N | 90 | Very high | 82.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.8 | 176.8 | -68.2 | -43.9 | 0 | 0 | 0 | 110.3 | C16 Y32 C33 L53 R56 | C16-N44 WeakPolarHBondContact CA-ND2 3.27Å; C16-N44 HydrophobicContact CB-CB 4.48Å; C16-N44 PolarHBondContact O-ND2 3.31Å; Y32-N44 WeakPolarHBondContact CA-O 3.46Å; C33-N44 PolarHBondContact N-O 2.95Å; C33-N44 PolarHBondContact O-N 3.39Å; C33-N44 PolarHBondContact SG-O 2.71Å; N44-L53 HydrophobicContact CB-CD1 3.63Å; N44-R56 WeakPolarHBondContact OD1-CG 3.33Å; N44-R56 PolarHBondContact OD1-NE 3.48Å |
| 45 | V | 88.8 | Confident | 82.3 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.6 | 174.6 | -170.4 | 0 | 0 | 0 | 0 | 107.8 | N30 I31 Y32 V54 N55 I57 | N30-V45 HydrophobicContact CB-CG1 4.05Å; I31-V45 WeakPolarHBondContact O-CA 3.4Å; Y32-V45 HydrophobicContact CD1-CG1 4.44Å; Y32-V45 HydrophobicContact CD1-CG2 3.64Å; Y32-V45 HydrophobicContact CE1-CB 4.29Å; Y32-V45 HydrophobicContact CE1-CG1 3.98Å; Y32-V45 HydrophobicContact CE1-CG2 3.39Å; Y32-V45 HydrophobicContact CE2-CG1 4.4Å; V45-V54 PolarHBondContact O-N 3.45Å; V45-N55 HydrophobicContact CB-CB 4.07Å; V45-N55 HydrophobicContact CG2-CB 4.06Å; V45-N55 PolarHBondContact N-O 3.4Å; V45-N55 PolarHBondContact O-N 3.09Å; V45-I57 HydrophobicContact CG2-CD1 4.47Å |
| 46 | L | 85.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.1 | 178.7 | -53.9 | 175.9 | 0 | 0 | 0 | 110.1 | C16 N30 I31 A52 L53 F356 | C16-L46 HydrophobicContact CB-CD1 4.13Å; C16-L46 HydrophobicContact CB-CD2 3.9Å; C16-L46 HydrophobicContact CB-CG 4.49Å; N30-L46 CarbonylContact C-O 3.58Å; N30-L46 WeakPolarHBondContact CA-O 3.38Å; I31-L46 HydrophobicContact CB-CB 4.32Å; I31-L46 PolarHBondContact N-O 3.06Å; I31-L46 PolarHBondContact O-N 2.61Å; L46-A52 WeakPolarHBondContact CA-O 3.42Å; L46-L53 HydrophobicContact CD2-CB 4.34Å; L46-L53 HydrophobicContact CD2-CD1 4.05Å; L46-F356 HydrophobicContact CD1-CD2 4.47Å; L46-F356 HydrophobicContact CD1-CE2 3.9Å; L46-F356 HydrophobicContact CD1-CZ 3.96Å |
| 47 | D | 81.5 | Confident | 82.3 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 130 | 165.3 | 166.9 | 39.4 | 0 | 0 | 0 | 109.7 | N49 S50 F51 A52 V54 | D47-N49 PolarHBondContact O-N 2.95Å; D47-N49 PolarHBondContact OD1-N 3.43Å; D47-S50 WeakPolarHBondContact CB-OG 3.37Å; D47-S50 WeakPolarHBondContact OD2-CB 3.47Å; D47-S50 PolarHBondContact OD2-N 3.46Å; D47-S50 PolarHBondContact OD2-OG 2.75Å; D47-F51 WeakPolarHBondContact O-CA 3.46Å; D47-F51 PolarHBondContact O-N 2.85Å; D47-A52 PolarHBondContact N-O 3.11Å; D47-A52 VanDerWaalsContact N-O 3.17Å; D47-V54 HydrophobicContact CB-CG2 3.86Å |
| 48 | E | 77.9 | Confident | 82.6 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27 | -179.4 | -177.5 | 178.7 | -167.8 | 0 | 0 | 112.7 | G29 I31 F51 Y313 R332 | G29-E48 WeakPolarHBondContact O-CB 3.04Å; G29-E48 PolarHBondContact O-N 3.46Å; I31-E48 HydrophobicContact CD1-CB 4.09Å; I31-E48 HydrophobicContact CD1-CG 4.22Å; I31-E48 HydrophobicContact CG1-CB 4.36Å; E48-F51 WeakPolarHBondContact O-CZ 3.36Å; E48-Y313 PolarHBondContact OE1-OH 3.01Å; E48-R332 WeakPolarHBondContact OE1-CD 3.34Å; E48-R332 IonicContact OE1-CZ 3.89Å; E48-R332 IonicContact OE1-NE 2.89Å; E48-R332 PolarHBondContact OE1-NE 3.38Å; E48-R332 IonicContact OE1-NH1 3.72Å; E48-R332 PolarHBondContact OE1-NH1 2.99Å; E48-R332 IonicContact OE1-NH2 3.94Å |
| 49 | N | 76.9 | Confident | 83 | Confident | 94 Ų | 94 | 40 Ų | 40 | 50% | 0.503 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -39.5 | -175.7 | -76.9 | -39.1 | 0 | 0 | 0 | 114.1 | D47 K415 | D47-N49 PolarHBondContact O-N 2.95Å; D47-N49 PolarHBondContact OD1-N 3.43Å; N49-K415 WeakPolarHBondContact O-CE 3.34Å; N49-K415 PolarHBondContact O-NZ 2.83Å |
| 50 | S | 71.3 | Confident | 83.4 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -20.6 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | D47 A52 W414 | D47-S50 WeakPolarHBondContact CB-OG 3.37Å; D47-S50 WeakPolarHBondContact OD2-CB 3.47Å; D47-S50 PolarHBondContact OD2-N 3.46Å; D47-S50 PolarHBondContact OD2-OG 2.75Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 WeakPolarHBondContact OG-CB 3.37Å; S50-A52 PolarHBondContact OG-N 3.23Å; S50-W414 PolarHBondContact O-N 2.99Å |
| 51 | F | 81.8 | Confident | 83.5 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | trans | 54.1 | 20.8 | -164.5 | -56.6 | -68.8 | 0 | 0 | 0 | 113.9 | I31 D47 E48 F344 A354 F356 K415 | I31-F51 HydrophobicContact CD1-CD1 4.08Å; I31-F51 HydrophobicContact CD1-CE1 3.63Å; D47-F51 WeakPolarHBondContact O-CA 3.46Å; D47-F51 PolarHBondContact O-N 2.85Å; E48-F51 WeakPolarHBondContact O-CZ 3.36Å; F51-F344 HydrophobicContact CE1-CD2 4.49Å; F51-F344 AromaticContact CE1-CE2 3.81Å; F51-F344 HydrophobicContact CE1-CE2 3.81Å; F51-F344 HydrophobicContact CE1-CZ 4.28Å; F51-F344 HydrophobicContact CZ-CD2 4.12Å; F51-F344 AromaticContact CZ-CE2 3.88Å; F51-F344 HydrophobicContact CZ-CE2 3.88Å; F51-A354 HydrophobicContact CE2-CB 3.92Å; F51-A354 HydrophobicContact CZ-CB 3.74Å; F51-F356 HydrophobicContact CB-CB 4.19Å; F51-F356 HydrophobicContact CD1-CB 4.01Å; F51-F356 AromaticContact CD1-CD1 3.41Å; F51-F356 HydrophobicContact CD1-CD1 3.41Å; F51-F356 VanDerWaalsContact CD1-CD1 3.41Å; F51-F356 HydrophobicContact CD1-CE1 4.02Å; F51-F356 AromaticContact CD1-CG 3.84Å; F51-F356 HydrophobicContact CD1-CG 3.84Å; F51-F356 HydrophobicContact CD2-CB 3.8Å; F51-F356 HydrophobicContact CE1-CB 4.32Å; F51-F356 AromaticContact CE1-CD1 3.29Å; F51-F356 HydrophobicContact CE1-CD1 3.29Å; F51-F356 AromaticContact CE1-CE1 3.88Å; F51-F356 HydrophobicContact CE1-CE1 3.88Å; F51-F356 HydrophobicContact CE1-CG 4.11Å; F51-F356 HydrophobicContact CE2-CB 4.11Å; F51-F356 HydrophobicContact CE2-CD1 4.43Å; F51-F356 HydrophobicContact CG-CB 3.74Å; F51-F356 HydrophobicContact CG-CD1 4.06Å; F51-F356 HydrophobicContact CG-CG 4.06Å; F51-F356 HydrophobicContact CZ-CB 4.36Å; F51-F356 AromaticContact CZ-CD1 3.85Å; F51-F356 HydrophobicContact CZ-CD1 3.85Å; F51-K415 HydrophobicContact CD2-CG 3.71Å; F51-K415 HydrophobicContact CE2-CD 4.49Å; F51-K415 HydrophobicContact CE2-CG 3.89Å | ||
| 52 | A | 78.2 | Confident | 83.6 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | trans | -70.7 | 147.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | L46 D47 S50 V54 | L46-A52 WeakPolarHBondContact CA-O 3.42Å; D47-A52 PolarHBondContact N-O 3.11Å; D47-A52 VanDerWaalsContact N-O 3.17Å; S50-A52 PolarHBondContact O-N 3.49Å; S50-A52 WeakPolarHBondContact OG-CB 3.37Å; S50-A52 PolarHBondContact OG-N 3.23Å; A52-V54 PolarHBondContact O-N 3.06Å | ||
| 53 | L | 80.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 109.8 | 174.2 | -177.1 | 67.2 | 0 | 0 | 0 | 109.5 | N44 L46 N55 | N44-L53 HydrophobicContact CB-CD1 3.63Å; L46-L53 HydrophobicContact CD2-CB 4.34Å; L46-L53 HydrophobicContact CD2-CD1 4.05Å; L53-N55 WeakPolarHBondContact CD1-O 3.25Å |
| 54 | V | 81.8 | Confident | 83.7 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -45.2 | 179 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | V45 D47 A52 | V45-V54 PolarHBondContact O-N 3.45Å; D47-V54 HydrophobicContact CB-CG2 3.86Å; A52-V54 PolarHBondContact O-N 3.06Å |
| 55 | N | 84.7 | Confident | 83.7 | Confident | 79 Ų | 79 | 48.9 Ų | 48.9 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 153.4 | -177.6 | -162.3 | 3 | 0 | 0 | 0 | 111.1 | V45 L53 | V45-N55 HydrophobicContact CB-CB 4.07Å; V45-N55 HydrophobicContact CG2-CB 4.06Å; V45-N55 PolarHBondContact N-O 3.4Å; V45-N55 PolarHBondContact O-N 3.09Å; L53-N55 WeakPolarHBondContact CD1-O 3.25Å |
| 56 | R | 86 | Confident | 84 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 30% | 0.302 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.2 | 172.6 | -178.7 | 176.6 | -67.7 | 165.5 | 6.4 | 108.8 | C42 N44 | C42-R56 HydrophobicContact CB-CG 4.23Å; N44-R56 WeakPolarHBondContact OD1-CG 3.33Å; N44-R56 PolarHBondContact OD1-NE 3.48Å |
| 57 | I | 86.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 111.7 | 174.5 | -56.9 | 166.2 | 0 | 0 | 0 | 107 | I43 V45 I75 I77 F87 | I43-I57 HydrophobicContact CB-CB 4.26Å; I43-I57 PolarHBondContact N-O 3.05Å; I43-I57 PolarHBondContact O-N 2.78Å; V45-I57 HydrophobicContact CG2-CD1 4.47Å; I57-I75 HydrophobicContact CD1-CD1 3.41Å; I57-I75 VanDerWaalsContact CD1-CD1 3.41Å; I57-I77 HydrophobicContact CG2-CD1 3.92Å; I57-F87 HydrophobicContact CG2-CD1 4.43Å; I57-F87 HydrophobicContact CG2-CE1 4.32Å; I57-F87 HydrophobicContact CG2-CZ 4.48Å |
| 58 | Q | 84.4 | Confident | 84.9 | Confident | 111 Ų | 111 | 47.6 Ų | 47.6 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | trans | -118.3 | 150.7 | 173.2 | -173 | 172.3 | 3.9 | 0 | 0 | 108.8 | ||||
| 59 | D | 84.4 | Confident | 85.4 | Confident | 20 Ų | 20 | 48.5 Ų | 48.5 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | trans | -122.5 | 151 | 174.8 | -160.2 | -10.6 | 0 | 0 | 0 | 108.3 | E61 I63 T79 K85 | D59-E61 PolarHBondContact O-N 3.4Å; D59-I63 HydrophobicContact CB-CD1 4.09Å; D59-I63 HydrophobicContact CB-CG1 4.02Å; D59-T79 WeakPolarHBondContact OD2-CG2 3.32Å; D59-K85 IonicContact OD1-NZ 3.03Å; D59-K85 PolarHBondContact OD1-NZ 3.08Å; D59-K85 WeakPolarHBondContact OD2-CD 3.41Å; D59-K85 WeakPolarHBondContact OD2-CE 3.46Å; D59-K85 IonicContact OD2-NZ 3.1Å; D59-K85 PolarHBondContact OD2-NZ 2.83Å | ||
| 60 | D | 83 | Confident | 85.7 | Confident | 172 Ų | 172 | 48.2 Ų | 48.2 | 92% | 0.92 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -64.5 | -20.9 | 177.8 | -62.2 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 61 | E | 85.7 | Confident | 86.1 | Confident | 83 Ų | 83 | 49.9 Ų | 49.9 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -107.7 | 147.8 | -178.5 | -68.6 | -80.6 | -165.3 | 0 | 0 | 111 | D59 I63 T79 N81 | D59-E61 PolarHBondContact O-N 3.4Å; E61-I63 PolarHBondContact O-N 2.93Å; E61-T79 HydrophobicContact CB-CG2 4.24Å; E61-N81 WeakPolarHBondContact CG-ND2 3.29Å; E61-N81 PolarHBondContact OE1-ND2 2.89Å; E61-N81 VanDerWaalsContact OE1-ND2 3.16Å |
| 62 | L | 88.3 | Confident | 86.1 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | trans | -59.7 | 113.6 | 179.6 | -66.3 | 175.1 | 0 | 0 | 0 | 111.6 | D39 T79 K80 | D39-L62 WeakPolarHBondContact O-CD2 3.39Å; L62-T79 CarbonylContact O-C 3.49Å; L62-T79 WeakPolarHBondContact O-CA 3.32Å; L62-K80 HydrophobicContact CB-CB 4Å; L62-K80 HydrophobicContact CB-CD 4.25Å; L62-K80 HydrophobicContact CD1-CD 3.69Å; L62-K80 PolarHBondContact O-N 2.96Å | ||
| 63 | I | 91 | Very high | 86.5 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131.5 | 172.1 | -56.3 | 178.2 | 0 | 0 | 0 | 108.7 | L41 I43 D59 E61 I77 | L41-I63 HydrophobicContact CB-CB 4.04Å; L41-I63 WeakPolarHBondContact CB-O 3.48Å; L41-I63 HydrophobicContact CD2-CB 3.99Å; L41-I63 HydrophobicContact CD2-CG2 3.66Å; L41-I63 HydrophobicContact CG-CB 4.08Å; L41-I63 HydrophobicContact CG-CG2 4.19Å; L41-I63 WeakPolarHBondContact O-CD1 3.49Å; I43-I63 HydrophobicContact CD1-CD1 4.39Å; I43-I63 HydrophobicContact CG1-CD1 4.47Å; D59-I63 HydrophobicContact CB-CD1 4.09Å; D59-I63 HydrophobicContact CB-CG1 4.02Å; E61-I63 PolarHBondContact O-N 2.93Å; I63-I77 HydrophobicContact CB-CG2 4.12Å; I63-I77 HydrophobicContact CD1-CD1 4.12Å; I63-I77 HydrophobicContact CD1-CG2 3.77Å; I63-I77 HydrophobicContact CG1-CG2 3.68Å; I63-I77 HydrophobicContact CG2-CG2 3.45Å; I63-I77 VanDerWaalsContact CG2-CG2 3.45Å |
| 64 | T | 89.7 | Confident | 86.9 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 17% | 0.172 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -30.9 | -179.5 | 62.6 | 0 | 0 | 0 | 0 | 112.8 | A78 K80 I105 V106 | T64-A78 PolarHBondContact N-O 3.05Å; T64-A78 PolarHBondContact OG1-O 2.99Å; T64-K80 HydrophobicContact CG2-CB 4.08Å; T64-I105 HydrophobicContact CG2-CB 4.15Å; T64-I105 HydrophobicContact CG2-CD1 4.33Å; T64-I105 HydrophobicContact CG2-CG2 4.26Å; T64-V106 VanDerWaalsContact CB-O 3.28Å; T64-V106 WeakPolarHBondContact CB-O 3.43Å; T64-V106 PolarHBondContact OG1-O 2.67Å |
| 65 | S | 90.7 | Very high | 87.3 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 154.3 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | A78 V106 M109 | S65-A78 PolarHBondContact O-N 2.79Å; S65-V106 PolarHBondContact OG-O 3.22Å; S65-M109 WeakPolarHBondContact OG-CG 3.43Å; S65-M109 PolarHBondContact OG-SD 2.99Å |
| 66 | F | 94 | Very high | 87.7 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.9 | 175.5 | 72.5 | -80.5 | 0 | 0 | 0 | 110.8 | P22 F24 L41 I43 V68 F76 I77 | P22-F66 HydrophobicContact CG-CE1 4.17Å; P22-F66 HydrophobicContact CG-CZ 4.22Å; P22-F66 WeakPolarHBondContact O-CZ 3.4Å; F24-F66 HydrophobicContact CD2-CD2 4.11Å; F24-F66 AromaticContact CD2-CE2 3.6Å; F24-F66 HydrophobicContact CD2-CE2 3.6Å; F24-F66 HydrophobicContact CD2-CZ 4.31Å; F24-F66 AromaticContact CE2-CD2 3.99Å; F24-F66 HydrophobicContact CE2-CD2 3.99Å; F24-F66 AromaticContact CE2-CE2 3.75Å; F24-F66 HydrophobicContact CE2-CE2 3.75Å; F24-F66 HydrophobicContact CE2-CZ 4.29Å; L41-F66 HydrophobicContact CD2-CD1 4.32Å; I43-F66 HydrophobicContact CD1-CB 3.56Å; I43-F66 HydrophobicContact CD1-CD1 4.14Å; I43-F66 HydrophobicContact CD1-CD2 3.8Å; I43-F66 HydrophobicContact CD1-CG 3.58Å; I43-F66 HydrophobicContact CG1-CB 4.4Å; I43-F66 HydrophobicContact CG1-CD1 4.06Å; I43-F66 HydrophobicContact CG1-CD2 4.15Å; I43-F66 HydrophobicContact CG1-CE1 4.37Å; I43-F66 HydrophobicContact CG1-CE2 4.44Å; I43-F66 HydrophobicContact CG1-CG 3.95Å; I43-F66 HydrophobicContact CG2-CD2 4.23Å; I43-F66 HydrophobicContact CG2-CE2 4.01Å; I43-F66 HydrophobicContact CG2-CZ 4.47Å; F66-V68 HydrophobicContact CD2-CG2 4.17Å; F66-V68 HydrophobicContact CE2-CG2 4.38Å; F66-F76 CarbonylContact C-O 3.6Å; F66-F76 WeakPolarHBondContact CA-O 3.22Å; F66-F76 WeakPolarHBondContact CB-O 3.3Å; F66-I77 HydrophobicContact CB-CG1 4.42Å |
| 67 | V | 93.5 | Very high | 88.1 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 143.5 | 174.7 | 62.8 | 0 | 0 | 0 | 0 | 109.4 | F24 F76 M109 L111 L118 | F24-V67 HydrophobicContact CE1-CG2 4.18Å; F24-V67 HydrophobicContact CZ-CB 4.29Å; F24-V67 HydrophobicContact CZ-CG2 4.02Å; V67-F76 HydrophobicContact CG1-CB 3.86Å; V67-F76 PolarHBondContact N-O 3.42Å; V67-F76 PolarHBondContact O-N 2.89Å; V67-M109 HydrophobicContact CB-CB 4.03Å; V67-M109 HydrophobicContact CG1-CB 3.73Å; V67-M109 HydrophobicContact CG1-CE 4.08Å; V67-L111 HydrophobicContact CB-CD1 4.43Å; V67-L111 HydrophobicContact CB-CG 4.47Å; V67-L111 HydrophobicContact CG1-CD1 3.88Å; V67-L111 HydrophobicContact CG1-CG 3.74Å; V67-L111 HydrophobicContact CG2-CB 4.2Å; V67-L111 HydrophobicContact CG2-CD1 3.91Å; V67-L111 HydrophobicContact CG2-CG 3.89Å; V67-L118 HydrophobicContact CG1-CD1 3.72Å |
| 68 | V | 92.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.8 | -177.4 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | F24 T26 Y32 F66 I75 | F24-V68 HydrophobicContact CB-CB 3.93Å; F24-V68 HydrophobicContact CB-CG2 4.2Å; F24-V68 HydrophobicContact CD2-CB 4.31Å; F24-V68 HydrophobicContact CD2-CG2 4Å; F24-V68 HydrophobicContact CG-CB 4.18Å; F24-V68 HydrophobicContact CG-CG2 4.33Å; T26-V68 HydrophobicContact CG2-CG1 4.1Å; Y32-V68 HydrophobicContact CD1-CG2 4.11Å; Y32-V68 HydrophobicContact CD2-CB 4.5Å; Y32-V68 HydrophobicContact CD2-CG1 3.83Å; Y32-V68 HydrophobicContact CD2-CG2 4.31Å; Y32-V68 HydrophobicContact CE2-CG1 4.01Å; Y32-V68 HydrophobicContact CG-CB 4.46Å; Y32-V68 HydrophobicContact CG-CG1 4.12Å; Y32-V68 HydrophobicContact CG-CG2 3.79Å; F66-V68 HydrophobicContact CD2-CG2 4.17Å; F66-V68 HydrophobicContact CE2-CG2 4.38Å; V68-I75 HydrophobicContact CG1-CG1 4.09Å; V68-I75 HydrophobicContact CG2-CG1 4.17Å; V68-I75 HydrophobicContact CG2-CG2 4.17Å |
| 69 | D | 89.2 | Confident | 88.8 | Confident | 25 Ų | 25 | 32 Ų | 32 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | trans | -67.6 | 154.1 | 173 | -179.3 | 39.9 | 0 | 0 | 0 | 112.6 | A71 G72 E74 S115 | D69-A71 VanDerWaalsContact C-N 3.25Å; D69-A71 PolarHBondContact O-N 2.81Å; D69-G72 PolarHBondContact O-N 2.95Å; D69-E74 PolarHBondContact N-O 2.87Å; D69-E74 VanDerWaalsContact N-O 3.07Å; D69-S115 WeakPolarHBondContact CB-OG 3.26Å; D69-S115 WeakPolarHBondContact OD1-CB 3.29Å; D69-S115 PolarHBondContact OD1-OG 2.83Å | ||
| 70 | E | 82.9 | Confident | 89.1 | Confident | 88 Ų | 88 | 36.9 Ų | 36.9 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -34.5 | 180 | -71.9 | -174.6 | 176.1 | 0 | 0 | 112.1 | T26 E27 G72 K113 | T26-E70 WeakPolarHBondContact CA-O 3.45Å; E27-E70 PolarHBondContact N-O 3.12Å; E70-G72 VanDerWaalsContact C-N 3.34Å; E70-K113 WeakPolarHBondContact OE2-CE 3.44Å; E70-K113 IonicContact OE2-NZ 2.91Å |
| 71 | A | 80.7 | Confident | 89.4 | Confident | 48 Ų | 48 | 31.3 Ų | 31.3 | 40% | 0.397 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | S28 D69 S73 | S28-A71 PolarHBondContact OG-O 3.06Å; D69-A71 VanDerWaalsContact C-N 3.25Å; D69-A71 PolarHBondContact O-N 2.81Å; A71-S73 VanDerWaalsContact C-N 3.35Å |
| 72 | G | 81.4 | Confident | 89.7 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 77.1 | 14.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T26 Y32 D69 E70 S89 | T26-G72 VanDerWaalsContact CG2-CA 3.45Å; Y32-G72 PolarHBondContact OH-O 2.76Å; D69-G72 PolarHBondContact O-N 2.95Å; E70-G72 VanDerWaalsContact C-N 3.34Å; G72-S89 WeakPolarHBondContact O-CB 3.28Å |
| 73 | S | 85.2 | Confident | 90 | Very high | 62 Ų | 62 | 28 Ų | 28 | 43% | 0.434 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -76.6 | -45.3 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | A71 D88 S89 | A71-S73 VanDerWaalsContact C-N 3.35Å; S73-D88 WeakPolarHBondContact O-CA 3.44Å; S73-S89 PolarHBondContact O-N 3.27Å |
| 74 | E | 88.7 | Confident | 90 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.3 | -174.9 | -61.9 | -168.2 | 147.7 | 0 | 0 | 111.8 | D69 F76 R86 F87 | D69-E74 PolarHBondContact N-O 2.87Å; D69-E74 VanDerWaalsContact N-O 3.07Å; E74-F76 HydrophobicContact CB-CE2 3.91Å; E74-F76 HydrophobicContact CB-CZ 4.45Å; E74-R86 IonicContact OE1-CZ 3.34Å; E74-R86 IonicContact OE1-NE 3.83Å; E74-R86 IonicContact OE1-NH1 2.82Å; E74-R86 PolarHBondContact OE1-NH1 2.84Å; E74-R86 IonicContact OE1-NH2 3.97Å; E74-F87 WeakPolarHBondContact CA-O 3.45Å |
| 75 | I | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.7 | 179.2 | -56 | 162 | 0 | 0 | 0 | 108.4 | Y32 I43 I57 V68 I77 R86 F87 | Y32-I75 HydrophobicContact CD1-CD1 3.92Å; Y32-I75 HydrophobicContact CD1-CG1 4.45Å; Y32-I75 HydrophobicContact CE1-CD1 3.33Å; Y32-I75 HydrophobicContact CE1-CG1 4.07Å; I43-I75 HydrophobicContact CD1-CG2 4.45Å; I57-I75 HydrophobicContact CD1-CD1 3.41Å; I57-I75 VanDerWaalsContact CD1-CD1 3.41Å; V68-I75 HydrophobicContact CG1-CG1 4.09Å; V68-I75 HydrophobicContact CG2-CG1 4.17Å; V68-I75 HydrophobicContact CG2-CG2 4.17Å; I75-I77 HydrophobicContact CG2-CD1 4.49Å; I75-I77 HydrophobicContact CG2-CG1 4.11Å; I75-R86 CarbonylContact O-C 3.51Å; I75-R86 WeakPolarHBondContact O-CA 3.37Å; I75-F87 HydrophobicContact CB-CB 4.2Å; I75-F87 PolarHBondContact N-O 2.79Å; I75-F87 PolarHBondContact O-N 3.37Å |
| 76 | F | 93.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.8 | 178.3 | -63.1 | -98.1 | 0 | 0 | 0 | 109.9 | F66 V67 E74 K85 R86 W98 M109 L111 L118 I132 | F66-F76 CarbonylContact C-O 3.6Å; F66-F76 WeakPolarHBondContact CA-O 3.22Å; F66-F76 WeakPolarHBondContact CB-O 3.3Å; V67-F76 HydrophobicContact CG1-CB 3.86Å; V67-F76 PolarHBondContact N-O 3.42Å; V67-F76 PolarHBondContact O-N 2.89Å; E74-F76 HydrophobicContact CB-CE2 3.91Å; E74-F76 HydrophobicContact CB-CZ 4.45Å; F76-K85 WeakPolarHBondContact CA-O 3.25Å; F76-R86 HydrophobicContact CD1-CB 4.18Å; F76-R86 HydrophobicContact CD1-CG 4.12Å; F76-R86 HydrophobicContact CE1-CB 4.02Å; F76-R86 HydrophobicContact CE1-CG 3.66Å; F76-R86 HydrophobicContact CE2-CG 4.45Å; F76-R86 HydrophobicContact CZ-CG 3.84Å; F76-W98 AromaticContact CD1-CH2 3.86Å; F76-W98 HydrophobicContact CD1-CH2 3.86Å; F76-W98 HydrophobicContact CD1-CZ2 4.37Å; F76-W98 AromaticContact CE1-CH2 3.92Å; F76-W98 HydrophobicContact CE1-CH2 3.92Å; F76-M109 HydrophobicContact CB-CE 3.73Å; F76-L111 HydrophobicContact CD2-CD1 3.69Å; F76-L111 HydrophobicContact CD2-CD2 3.9Å; F76-L111 HydrophobicContact CD2-CG 4.28Å; F76-L111 HydrophobicContact CE2-CD1 3.95Å; F76-L111 HydrophobicContact CE2-CD2 3.83Å; F76-L111 HydrophobicContact CZ-CD2 4.44Å; F76-L118 HydrophobicContact CB-CD1 4.34Å; F76-L118 HydrophobicContact CD1-CD2 3.98Å; F76-L118 HydrophobicContact CG-CD1 4.43Å; F76-L118 HydrophobicContact CG-CD2 4.41Å; F76-I132 HydrophobicContact CE1-CD1 3.81Å; F76-I132 HydrophobicContact CE1-CG1 4.08Å; F76-I132 HydrophobicContact CE1-CG2 4.48Å; F76-I132 HydrophobicContact CE2-CD1 4.11Å; F76-I132 HydrophobicContact CZ-CD1 3.5Å; F76-I132 HydrophobicContact CZ-CG1 4.03Å; F76-I132 HydrophobicContact CZ-CG2 3.91Å |
| 77 | I | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.1 | -175.3 | -57.3 | -170.8 | 0 | 0 | 0 | 108.3 | I43 I57 I63 F66 I75 T79 L84 K85 F87 | I43-I77 HydrophobicContact CD1-CD1 3.52Å; I43-I77 HydrophobicContact CD1-CG1 3.84Å; I57-I77 HydrophobicContact CG2-CD1 3.92Å; I63-I77 HydrophobicContact CB-CG2 4.12Å; I63-I77 HydrophobicContact CD1-CD1 4.12Å; I63-I77 HydrophobicContact CD1-CG2 3.77Å; I63-I77 HydrophobicContact CG1-CG2 3.68Å; I63-I77 HydrophobicContact CG2-CG2 3.45Å; I63-I77 VanDerWaalsContact CG2-CG2 3.45Å; F66-I77 HydrophobicContact CB-CG1 4.42Å; I75-I77 HydrophobicContact CG2-CD1 4.49Å; I75-I77 HydrophobicContact CG2-CG1 4.11Å; I77-T79 HydrophobicContact CG2-CG2 4.47Å; I77-L84 CarbonylContact O-C 3.58Å; I77-L84 WeakPolarHBondContact O-CA 3.24Å; I77-K85 HydrophobicContact CB-CB 4.46Å; I77-K85 PolarHBondContact N-O 2.89Å; I77-K85 PolarHBondContact O-N 2.92Å; I77-F87 HydrophobicContact CB-CE2 4.4Å; I77-F87 HydrophobicContact CD1-CD2 3.6Å; I77-F87 HydrophobicContact CD1-CE2 3.46Å; I77-F87 VanDerWaalsContact CD1-CE2 3.46Å; I77-F87 HydrophobicContact CD1-CZ 4.3Å; I77-F87 HydrophobicContact CG1-CD2 3.99Å; I77-F87 HydrophobicContact CG1-CE2 4.07Å |
| 78 | A | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T64 S65 L83 L84 V106 M109 | T64-A78 PolarHBondContact N-O 3.05Å; T64-A78 PolarHBondContact OG1-O 2.99Å; S65-A78 PolarHBondContact O-N 2.79Å; A78-L83 WeakPolarHBondContact CA-O 3.45Å; A78-L84 HydrophobicContact CB-CD2 3.73Å; A78-V106 HydrophobicContact CB-CB 3.69Å; A78-V106 HydrophobicContact CB-CG1 4.01Å; A78-V106 HydrophobicContact CB-CG2 4.2Å; A78-M109 HydrophobicContact CB-SD 3.63Å |
| 79 | T | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 161.7 | -176.9 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | D59 E61 L62 I77 N81 L82 L83 | D59-T79 WeakPolarHBondContact OD2-CG2 3.32Å; E61-T79 HydrophobicContact CB-CG2 4.24Å; L62-T79 CarbonylContact O-C 3.49Å; L62-T79 WeakPolarHBondContact O-CA 3.32Å; I77-T79 HydrophobicContact CG2-CG2 4.47Å; T79-N81 WeakPolarHBondContact CB-OD1 3.21Å; T79-N81 PolarHBondContact O-N 3.46Å; T79-N81 PolarHBondContact OG1-OD1 2.75Å; T79-L82 PolarHBondContact O-N 2.79Å; T79-L83 PolarHBondContact N-O 3.34Å; T79-L83 WeakPolarHBondContact OG1-CB 3.3Å; T79-L83 PolarHBondContact OG1-N 3.45Å; T79-L83 PolarHBondContact OG1-O 3.47Å |
| 80 | K | 90.6 | Very high | 88.1 | Confident | 124 Ų | 124 | 37.2 Ų | 37.2 | 54% | 0.539 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.2 | 179.8 | -175.1 | 179 | 179 | -178.8 | 0 | 113.5 | L62 T64 L82 I105 | L62-K80 HydrophobicContact CB-CB 4Å; L62-K80 HydrophobicContact CB-CD 4.25Å; L62-K80 HydrophobicContact CD1-CD 3.69Å; L62-K80 PolarHBondContact O-N 2.96Å; T64-K80 HydrophobicContact CG2-CB 4.08Å; K80-L82 PolarHBondContact O-N 2.94Å; K80-I105 HydrophobicContact CB-CG2 4.49Å; K80-I105 HydrophobicContact CG-CG2 4.1Å |
| 81 | N | 90.6 | Very high | 87.8 | Confident | 55 Ų | 55 | 34.6 Ų | 34.6 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 13.8 | 174.5 | 67.8 | 6.7 | 0 | 0 | 0 | 113.8 | E61 T79 L83 | E61-N81 WeakPolarHBondContact CG-ND2 3.29Å; E61-N81 PolarHBondContact OE1-ND2 2.89Å; E61-N81 VanDerWaalsContact OE1-ND2 3.16Å; T79-N81 WeakPolarHBondContact CB-OD1 3.21Å; T79-N81 PolarHBondContact O-N 3.46Å; T79-N81 PolarHBondContact OG1-OD1 2.75Å; N81-L83 VanDerWaalsContact C-N 3.27Å; N81-L83 WeakPolarHBondContact ND2-CD1 3.03Å; N81-L83 PolarHBondContact O-N 2.85Å; N81-L83 WeakPolarHBondContact OD1-CB 3.44Å; N81-L83 WeakPolarHBondContact OD1-CD1 3.45Å; N81-L83 VanDerWaalsContact OD1-CG 3.29Å; N81-L83 WeakPolarHBondContact OD1-CG 3.5Å; N81-L83 PolarHBondContact OD1-N 3.05Å |
| 82 | L | 91.9 | Very high | 87.6 | Confident | 39 Ų | 39 | 38.4 Ų | 38.4 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 69 | 22.7 | 174.8 | -48.4 | 165.7 | 0 | 0 | 0 | 113.4 | T79 K80 S100 H102 R104 | T79-L82 PolarHBondContact O-N 2.79Å; K80-L82 PolarHBondContact O-N 2.94Å; L82-S100 WeakPolarHBondContact O-CB 3.4Å; L82-S100 PolarHBondContact O-N 3.02Å; L82-S100 PolarHBondContact O-OG 3.5Å; L82-H102 WeakPolarHBondContact CD1-O 3.42Å; L82-R104 WeakPolarHBondContact CD2-O 3.4Å |
| 83 | L | 93.1 | Very high | 87.7 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 149.8 | 170 | -61.2 | 170.1 | 0 | 0 | 0 | 110.8 | A78 T79 N81 V97 W98 M99 | A78-L83 WeakPolarHBondContact CA-O 3.45Å; T79-L83 PolarHBondContact N-O 3.34Å; T79-L83 WeakPolarHBondContact OG1-CB 3.3Å; T79-L83 PolarHBondContact OG1-N 3.45Å; T79-L83 PolarHBondContact OG1-O 3.47Å; N81-L83 VanDerWaalsContact C-N 3.27Å; N81-L83 WeakPolarHBondContact ND2-CD1 3.03Å; N81-L83 PolarHBondContact O-N 2.85Å; N81-L83 WeakPolarHBondContact OD1-CB 3.44Å; N81-L83 WeakPolarHBondContact OD1-CD1 3.45Å; N81-L83 VanDerWaalsContact OD1-CG 3.29Å; N81-L83 WeakPolarHBondContact OD1-CG 3.5Å; N81-L83 PolarHBondContact OD1-N 3.05Å; L83-V97 HydrophobicContact CB-CG1 4.25Å; L83-V97 HydrophobicContact CD1-CG1 4.1Å; L83-V97 HydrophobicContact CD2-CG1 4.15Å; L83-V97 HydrophobicContact CG-CG1 4.43Å; L83-W98 CarbonylContact C-O 3.48Å; L83-W98 WeakPolarHBondContact CA-O 3.08Å; L83-M99 HydrophobicContact CD2-CG 4.29Å; L83-M99 HydrophobicContact CD2-SD 3.32Å; L83-M99 WeakPolarHBondContact CD2-SD 3.22Å; L83-M99 HydrophobicContact CG-SD 4.38Å |
| 84 | L | 92.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.4 | 166.8 | -71.4 | 164.7 | 0 | 0 | 0 | 107.5 | I77 A78 V97 W98 M109 T120 W130 | I77-L84 CarbonylContact O-C 3.58Å; I77-L84 WeakPolarHBondContact O-CA 3.24Å; A78-L84 HydrophobicContact CB-CD2 3.73Å; L84-V97 CarbonylContact O-C 3.44Å; L84-V97 WeakPolarHBondContact O-CA 3.14Å; L84-W98 HydrophobicContact CB-CD2 3.97Å; L84-W98 VanDerWaalsContact CB-CE2 3.49Å; L84-W98 HydrophobicContact CB-CG 4.32Å; L84-W98 HydrophobicContact CB-CH2 4.44Å; L84-W98 HydrophobicContact CB-CZ2 3.77Å; L84-W98 HydrophobicContact CD1-CZ2 4.39Å; L84-W98 PolarHBondContact N-O 3.34Å; L84-W98 PolarHBondContact O-N 2.93Å; L84-M109 HydrophobicContact CD2-CE 3.66Å; L84-M109 HydrophobicContact CD2-SD 4.29Å; L84-T120 HydrophobicContact CD1-CG2 4.06Å; L84-T120 HydrophobicContact CD2-CG2 3.91Å; L84-W130 HydrophobicContact CD1-CD2 4.17Å; L84-W130 HydrophobicContact CD1-CH2 4.07Å; L84-W130 HydrophobicContact CD1-CZ2 3.58Å |
| 85 | K | 91.8 | Very high | 87.5 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.7 | 179.8 | -53.9 | -166.1 | -176.4 | 176.3 | 0 | 109.6 | D59 F76 I77 F87 P94 K96 V97 | D59-K85 IonicContact OD1-NZ 3.03Å; D59-K85 PolarHBondContact OD1-NZ 3.08Å; D59-K85 WeakPolarHBondContact OD2-CD 3.41Å; D59-K85 WeakPolarHBondContact OD2-CE 3.46Å; D59-K85 IonicContact OD2-NZ 3.1Å; D59-K85 PolarHBondContact OD2-NZ 2.83Å; F76-K85 WeakPolarHBondContact CA-O 3.25Å; I77-K85 HydrophobicContact CB-CB 4.46Å; I77-K85 PolarHBondContact N-O 2.89Å; I77-K85 PolarHBondContact O-N 2.92Å; K85-F87 HydrophobicContact CB-CD2 4.33Å; K85-F87 HydrophobicContact CB-CE2 3.71Å; K85-F87 HydrophobicContact CD-CE2 4.36Å; K85-P94 HydrophobicContact CB-CB 4.27Å; K85-P94 HydrophobicContact CD-CB 4.43Å; K85-P94 HydrophobicContact CD-CG 4.5Å; K85-K96 CarbonylContact C-O 3.56Å; K85-K96 WeakPolarHBondContact CA-O 3.45Å; K85-V97 HydrophobicContact CB-CG2 4.34Å; K85-V97 HydrophobicContact CD-CG2 4Å; K85-V97 HydrophobicContact CG-CB 4.4Å; K85-V97 HydrophobicContact CG-CG1 4.05Å; K85-V97 HydrophobicContact CG-CG2 3.86Å |
| 86 | R | 90.7 | Very high | 87.4 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.3 | 172.7 | -171.6 | -176.6 | 77.1 | 156.8 | 12.5 | 109.7 | E74 I75 F76 P94 T95 K96 W98 E136 | E74-R86 IonicContact OE1-CZ 3.34Å; E74-R86 IonicContact OE1-NE 3.83Å; E74-R86 IonicContact OE1-NH1 2.82Å; E74-R86 PolarHBondContact OE1-NH1 2.84Å; E74-R86 IonicContact OE1-NH2 3.97Å; I75-R86 CarbonylContact O-C 3.51Å; I75-R86 WeakPolarHBondContact O-CA 3.37Å; F76-R86 HydrophobicContact CD1-CB 4.18Å; F76-R86 HydrophobicContact CD1-CG 4.12Å; F76-R86 HydrophobicContact CE1-CB 4.02Å; F76-R86 HydrophobicContact CE1-CG 3.66Å; F76-R86 HydrophobicContact CE2-CG 4.45Å; F76-R86 HydrophobicContact CZ-CG 3.84Å; R86-P94 CarbonylContact O-C 3.59Å; R86-P94 WeakPolarHBondContact O-CA 3.26Å; R86-T95 PolarHBondContact NE-OG1 3.31Å; R86-T95 PolarHBondContact O-N 3.03Å; R86-T95 PolarHBondContact O-OG1 3Å; R86-K96 PolarHBondContact N-O 3.44Å; R86-K96 PolarHBondContact O-N 3.24Å; R86-W98 HydrophobicContact CB-CH2 3.98Å; R86-W98 HydrophobicContact CB-CZ3 3.8Å; R86-E136 IonicContact CZ-OE1 3.43Å; R86-E136 IonicContact NE-OE1 3.84Å; R86-E136 IonicContact NH1-OE1 2.77Å; R86-E136 PolarHBondContact NH1-OE1 3.11Å |
| 87 | F | 88.5 | Confident | 87.2 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.3 | 173.6 | -68.8 | -100 | 0 | 0 | 0 | 109 | I57 E74 I75 I77 K85 P94 | I57-F87 HydrophobicContact CG2-CD1 4.43Å; I57-F87 HydrophobicContact CG2-CE1 4.32Å; I57-F87 HydrophobicContact CG2-CZ 4.48Å; E74-F87 WeakPolarHBondContact CA-O 3.45Å; I75-F87 HydrophobicContact CB-CB 4.2Å; I75-F87 PolarHBondContact N-O 2.79Å; I75-F87 PolarHBondContact O-N 3.37Å; I77-F87 HydrophobicContact CB-CE2 4.4Å; I77-F87 HydrophobicContact CD1-CD2 3.6Å; I77-F87 HydrophobicContact CD1-CE2 3.46Å; I77-F87 VanDerWaalsContact CD1-CE2 3.46Å; I77-F87 HydrophobicContact CD1-CZ 4.3Å; I77-F87 HydrophobicContact CG1-CD2 3.99Å; I77-F87 HydrophobicContact CG1-CE2 4.07Å; K85-F87 HydrophobicContact CB-CD2 4.33Å; K85-F87 HydrophobicContact CB-CE2 3.71Å; K85-F87 HydrophobicContact CD-CE2 4.36Å; F87-P94 HydrophobicContact CD1-CB 4.34Å; F87-P94 HydrophobicContact CD2-CB 4.43Å; F87-P94 HydrophobicContact CE1-CB 3.91Å; F87-P94 HydrophobicContact CE1-CG 4.32Å; F87-P94 HydrophobicContact CE2-CB 3.97Å; F87-P94 HydrophobicContact CZ-CB 3.71Å; F87-P94 HydrophobicContact CZ-CG 4.16Å |
| 88 | D | 86.1 | Confident | 87.2 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.9 | 164.3 | -178.8 | 15 | 0 | 0 | 0 | 106.9 | S73 S90 A91 T95 | S73-D88 WeakPolarHBondContact O-CA 3.44Å; D88-S90 PolarHBondContact O-N 2.92Å; D88-S90 PolarHBondContact OD2-OG 3.13Å; D88-S90 VanDerWaalsContact OD2-OG 3.05Å; D88-A91 HydrophobicContact CB-CB 4.27Å; D88-A91 PolarHBondContact O-N 3.15Å; D88-T95 HydrophobicContact CB-CG2 3.7Å |
| 89 | S | 75.5 | Confident | 87 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.1 | -174.3 | -174 | 0 | 0 | 0 | 0 | 113.3 | Y32 G72 S73 | Y32-S89 PolarHBondContact OH-OG 2.91Å; G72-S89 WeakPolarHBondContact O-CB 3.28Å; S73-S89 PolarHBondContact O-N 3.27Å |
| 90 | S | 75.5 | Confident | 86.7 | Confident | 100 Ų | 100 | 62.7 Ų | 62.7 | 70% | 0.699 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -19 | 177.5 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | D88 | D88-S90 PolarHBondContact O-N 2.92Å; D88-S90 PolarHBondContact OD2-OG 3.13Å; D88-S90 VanDerWaalsContact OD2-OG 3.05Å |
| 91 | A | 77.2 | Confident | 86.6 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | trans | -104.1 | 128 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D88 R93 | D88-A91 HydrophobicContact CB-CB 4.27Å; D88-A91 PolarHBondContact O-N 3.15Å; A91-R93 VanDerWaalsContact C-N 3.26Å; A91-R93 PolarHBondContact O-N 3.38Å | ||
| 92 | P | 76 | Confident | 86.6 | Confident | 128 Ų | 128 | 58 Ų | 58 | 83% | 0.831 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -73.4 | -18.6 | 177.8 | 29.3 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 93 | R | 84.2 | Confident | 86.5 | Confident | 205 Ų | 205 | 64.1 Ų | 64.1 | 77% | 0.774 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -108.8 | 150.4 | 180 | -71.9 | -174.3 | 179 | 177.8 | 0.6 | 110.6 | A91 T95 | A91-R93 VanDerWaalsContact C-N 3.26Å; A91-R93 PolarHBondContact O-N 3.38Å; R93-T95 PolarHBondContact O-N 3.23Å |
| 94 | P | 83.9 | Confident | 86.5 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 32% | 0.318 | 36% | 0.361 | S | S | . | . | trans | -60.8 | 127.5 | 175.6 | 25.2 | -33.4 | 0 | 0 | 0 | 110 | K85 R86 F87 K96 V97 | K85-P94 HydrophobicContact CB-CB 4.27Å; K85-P94 HydrophobicContact CD-CB 4.43Å; K85-P94 HydrophobicContact CD-CG 4.5Å; R86-P94 CarbonylContact O-C 3.59Å; R86-P94 WeakPolarHBondContact O-CA 3.26Å; F87-P94 HydrophobicContact CD1-CB 4.34Å; F87-P94 HydrophobicContact CD2-CB 4.43Å; F87-P94 HydrophobicContact CE1-CB 3.91Å; F87-P94 HydrophobicContact CE1-CG 4.32Å; F87-P94 HydrophobicContact CE2-CB 3.97Å; F87-P94 HydrophobicContact CZ-CB 3.71Å; F87-P94 HydrophobicContact CZ-CG 4.16Å; P94-K96 VanDerWaalsContact C-N 3.26Å; P94-K96 PolarHBondContact O-N 3.28Å; P94-V97 HydrophobicContact CB-CG2 3.87Å; P94-V97 HydrophobicContact CG-CG2 3.87Å | ||
| 95 | T | 86.3 | Confident | 86.4 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -64.1 | -34.4 | 175.5 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | R86 D88 R93 | R86-T95 PolarHBondContact NE-OG1 3.31Å; R86-T95 PolarHBondContact O-N 3.03Å; R86-T95 PolarHBondContact O-OG1 3Å; D88-T95 HydrophobicContact CB-CG2 3.7Å; R93-T95 PolarHBondContact O-N 3.23Å |
| 96 | K | 88.2 | Confident | 86.5 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 35% | 0.348 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 146.3 | 177 | -161.7 | 177.1 | -174.2 | 166.1 | 0 | 111.5 | K85 R86 P94 W98 E136 | K85-K96 CarbonylContact C-O 3.56Å; K85-K96 WeakPolarHBondContact CA-O 3.45Å; R86-K96 PolarHBondContact N-O 3.44Å; R86-K96 PolarHBondContact O-N 3.24Å; P94-K96 VanDerWaalsContact C-N 3.26Å; P94-K96 PolarHBondContact O-N 3.28Å; K96-W98 HydrophobicContact CB-CE3 4.19Å; K96-W98 HydrophobicContact CB-CZ3 4.04Å; K96-W98 HydrophobicContact CD-CE3 4.15Å; K96-W98 HydrophobicContact CD-CZ3 4.35Å; K96-W98 HydrophobicContact CG-CE3 3.94Å; K96-W98 HydrophobicContact CG-CZ3 4.26Å; K96-E136 WeakPolarHBondContact CD-OE2 3.42Å; K96-E136 WeakPolarHBondContact CE-OE2 3.43Å; K96-E136 IonicContact NZ-OE2 2.71Å; K96-E136 PolarHBondContact NZ-OE2 2.77Å |
| 97 | V | 90.4 | Very high | 86.6 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.4 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | L83 L84 K85 P94 | L83-V97 HydrophobicContact CB-CG1 4.25Å; L83-V97 HydrophobicContact CD1-CG1 4.1Å; L83-V97 HydrophobicContact CD2-CG1 4.15Å; L83-V97 HydrophobicContact CG-CG1 4.43Å; L84-V97 CarbonylContact O-C 3.44Å; L84-V97 WeakPolarHBondContact O-CA 3.14Å; K85-V97 HydrophobicContact CB-CG2 4.34Å; K85-V97 HydrophobicContact CD-CG2 4Å; K85-V97 HydrophobicContact CG-CB 4.4Å; K85-V97 HydrophobicContact CG-CG1 4.05Å; K85-V97 HydrophobicContact CG-CG2 3.86Å; P94-V97 HydrophobicContact CB-CG2 3.87Å; P94-V97 HydrophobicContact CG-CG2 3.87Å |
| 98 | W | 92.4 | Very high | 86.8 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 17% | 0.174 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161 | 176.8 | 64.6 | 97.6 | 0 | 0 | 0 | 111.9 | F76 L83 L84 R86 K96 L118 W130 | F76-W98 AromaticContact CD1-CH2 3.86Å; F76-W98 HydrophobicContact CD1-CH2 3.86Å; F76-W98 HydrophobicContact CD1-CZ2 4.37Å; F76-W98 AromaticContact CE1-CH2 3.92Å; F76-W98 HydrophobicContact CE1-CH2 3.92Å; L83-W98 CarbonylContact C-O 3.48Å; L83-W98 WeakPolarHBondContact CA-O 3.08Å; L84-W98 HydrophobicContact CB-CD2 3.97Å; L84-W98 VanDerWaalsContact CB-CE2 3.49Å; L84-W98 HydrophobicContact CB-CG 4.32Å; L84-W98 HydrophobicContact CB-CH2 4.44Å; L84-W98 HydrophobicContact CB-CZ2 3.77Å; L84-W98 HydrophobicContact CD1-CZ2 4.39Å; L84-W98 PolarHBondContact N-O 3.34Å; L84-W98 PolarHBondContact O-N 2.93Å; R86-W98 HydrophobicContact CB-CH2 3.98Å; R86-W98 HydrophobicContact CB-CZ3 3.8Å; K96-W98 HydrophobicContact CB-CE3 4.19Å; K96-W98 HydrophobicContact CB-CZ3 4.04Å; K96-W98 HydrophobicContact CD-CE3 4.15Å; K96-W98 HydrophobicContact CD-CZ3 4.35Å; K96-W98 HydrophobicContact CG-CE3 3.94Å; K96-W98 HydrophobicContact CG-CZ3 4.26Å; W98-L118 HydrophobicContact CZ2-CD2 4.37Å; W98-W130 AromaticContact CD1-CE3 3.92Å; W98-W130 AromaticContact CD1-CZ3 3.53Å; W98-W130 AromaticContact NE1-CE3 3.46Å; W98-W130 AromaticContact NE1-CZ3 3.53Å |
| 99 | M | 89.3 | Confident | 87.2 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 52% | 0.522 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.5 | 176.1 | -67.8 | -64.2 | -61.2 | 0 | 0 | 110.5 | L83 C101 W130 | L83-M99 HydrophobicContact CD2-CG 4.29Å; L83-M99 HydrophobicContact CD2-SD 3.32Å; L83-M99 WeakPolarHBondContact CD2-SD 3.22Å; L83-M99 HydrophobicContact CG-SD 4.38Å; M99-C101 PolarHBondContact O-N 3.19Å; M99-W130 VanDerWaalsContact O-CH2 3.29Å; M99-W130 WeakPolarHBondContact O-CH2 3.43Å |
| 100 | S | 87.1 | Confident | 88 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -70.4 | -13.4 | 173.8 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | L82 H102 R128 W130 | L82-S100 WeakPolarHBondContact O-CB 3.4Å; L82-S100 PolarHBondContact O-N 3.02Å; L82-S100 PolarHBondContact O-OG 3.5Å; S100-H102 PolarHBondContact O-CD2 3.23Å; S100-H102 VanDerWaalsContact O-CD2 3.26Å; S100-H102 PolarHBondContact O-N 3.47Å; S100-H102 PolarHBondContact OG-N 3.38Å; S100-R128 WeakPolarHBondContact O-CD 3.29Å; S100-W130 VanDerWaalsContact O-CH2 3.32Å; S100-W130 WeakPolarHBondContact O-CH2 3.05Å; S100-W130 WeakPolarHBondContact O-CZ2 2.98Å | ||
| 101 | C | 86.9 | Confident | 88.9 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | trans | 57.1 | 4.8 | -174.2 | -58.6 | 0 | 0 | 0 | 0 | 114.9 | M99 R128 | M99-C101 PolarHBondContact O-N 3.19Å; C101-R128 PolarHBondContact O-NH2 2.83Å | ||
| 102 | H | 91.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 67.7 Ų | 67.7 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | trans | -72.5 | 154.7 | 173.6 | -73.1 | -91.5 | 0 | 0 | 0 | 111.5 | L82 S100 R104 T120 S122 D124 V126 R128 | L82-H102 WeakPolarHBondContact CD1-O 3.42Å; S100-H102 PolarHBondContact O-CD2 3.23Å; S100-H102 VanDerWaalsContact O-CD2 3.26Å; S100-H102 PolarHBondContact O-N 3.47Å; S100-H102 PolarHBondContact OG-N 3.38Å; H102-R104 VanDerWaalsContact CB-O 3.3Å; H102-R104 WeakPolarHBondContact CB-O 3.35Å; H102-T120 PolarHBondContact CE1-O 3.27Å; H102-T120 PolarHBondContact NE2-O 2.93Å; H102-T120 PolarHBondContact NE2-OG1 3.29Å; H102-S122 WeakPolarHBondContact ND1-CB 3.45Å; H102-D124 WeakPolarHBondContact CA-OD2 3.23Å; H102-D124 WeakPolarHBondContact CB-OD2 3.33Å; H102-D124 IonicContact CE1-OD1 3.18Å; H102-D124 IonicContact CG-OD2 3.47Å; H102-D124 IonicContact ND1-OD1 2.87Å; H102-D124 PolarHBondContact ND1-OD1 3.48Å; H102-D124 IonicContact ND1-OD2 2.8Å; H102-D124 PolarHBondContact ND1-OD2 3.25Å; H102-D124 VanDerWaalsContact ND1-OD2 3.1Å; H102-V126 PolarHBondContact CE1-O 2.49Å; H102-V126 VanDerWaalsContact CE1-O 3.26Å; H102-R128 PolarHBondContact CE1-NH1 3.49Å; H102-R128 PolarHBondContact ND1-NH1 2.89Å; H102-R128 WeakPolarHBondContact NE2-CD 3.29Å | ||
| 103 | Q | 89.5 | Confident | 89.9 | Confident | 168 Ų | 168 | 65.7 Ų | 65.7 | 79% | 0.785 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -89.6 | -17.5 | 174.6 | -66.9 | 179.5 | -9.1 | 0 | 0 | 112.5 | D124 | Q103-D124 HydrophobicContact CB-CB 4.09Å; Q103-D124 PolarHBondContact N-OD2 2.84Å; Q103-D124 VanDerWaalsContact N-OD2 3.07Å |
| 104 | R | 92.2 | Very high | 90 | Very high | 158 Ų | 158 | 63.3 Ų | 63.3 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -135.2 | 165.6 | 178.2 | -64.4 | -176 | 126 | -155.9 | -3.9 | 109.9 | L82 H102 S122 G123 D124 | L82-R104 WeakPolarHBondContact CD2-O 3.4Å; H102-R104 VanDerWaalsContact CB-O 3.3Å; H102-R104 WeakPolarHBondContact CB-O 3.35Å; R104-S122 VanDerWaalsContact C-OG 3.24Å; R104-S122 PolarHBondContact O-OG 3.4Å; R104-G123 VanDerWaalsContact CD-C 3.48Å; R104-G123 WeakPolarHBondContact CD-O 3.44Å; R104-G123 PolarHBondContact NH1-O 2.83Å; R104-D124 HydrophobicContact CB-CB 4.12Å; R104-D124 HydrophobicContact CG-CB 4.26Å |
| 105 | I | 92.4 | Very high | 90.1 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | trans | -55.8 | 143.3 | -177.1 | 59.6 | 168.8 | 0 | 0 | 0 | 112.8 | T64 K80 Q107 S122 G123 | T64-I105 HydrophobicContact CG2-CB 4.15Å; T64-I105 HydrophobicContact CG2-CD1 4.33Å; T64-I105 HydrophobicContact CG2-CG2 4.26Å; K80-I105 HydrophobicContact CB-CG2 4.49Å; K80-I105 HydrophobicContact CG-CG2 4.1Å; I105-Q107 VanDerWaalsContact CD1-NE2 3.34Å; I105-Q107 HydrophobicContact CG1-CG 4.4Å; I105-S122 WeakPolarHBondContact O-CA 3.37Å; I105-S122 WeakPolarHBondContact O-CB 3.42Å; I105-S122 PolarHBondContact O-OG 2.85Å; I105-G123 PolarHBondContact O-N 2.76Å; I105-G123 VanDerWaalsContact O-N 3.16Å | ||
| 106 | V | 93.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126.1 | 173.9 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | T64 S65 A78 M109 T120 G121 | T64-V106 VanDerWaalsContact CB-O 3.28Å; T64-V106 WeakPolarHBondContact CB-O 3.43Å; T64-V106 PolarHBondContact OG1-O 2.67Å; S65-V106 PolarHBondContact OG-O 3.22Å; A78-V106 HydrophobicContact CB-CB 3.69Å; A78-V106 HydrophobicContact CB-CG1 4.01Å; A78-V106 HydrophobicContact CB-CG2 4.2Å; V106-M109 HydrophobicContact CG1-CG 3.79Å; V106-M109 HydrophobicContact CG1-SD 4.45Å; V106-T120 HydrophobicContact CG1-CG2 4.26Å; V106-G121 WeakPolarHBondContact CG1-O 3.4Å |
| 107 | Q | 91.4 | Very high | 90.4 | Very high | 68 Ų | 68 | 59.9 Ų | 59.9 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -31.6 | -172.1 | -74.3 | -82.9 | 1.8 | 0 | 0 | 112 | I105 G121 M148 | I105-Q107 VanDerWaalsContact CD1-NE2 3.34Å; I105-Q107 HydrophobicContact CG1-CG 4.4Å; Q107-G121 PolarHBondContact N-O 2.96Å; Q107-M148 HydrophobicContact CB-CE 3.77Å; Q107-M148 HydrophobicContact CB-CG 4.48Å; Q107-M148 HydrophobicContact CB-SD 4.44Å; Q107-M148 HydrophobicContact CG-CE 3.43Å; Q107-M148 VanDerWaalsContact CG-CE 3.43Å; Q107-M148 HydrophobicContact CG-CG 4.16Å; Q107-M148 HydrophobicContact CG-SD 3.68Å; Q107-M148 VanDerWaalsContact OE1-CE 3.28Å |
| 108 | K | 92.3 | Very high | 90.6 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.7 | 177.6 | -154.6 | 71.1 | 176.9 | 179.5 | 0 | 110.2 | G121 L152 | K108-G121 PolarHBondContact N-O 3.22Å; K108-G121 VanDerWaalsContact N-O 3.1Å; K108-G121 PolarHBondContact O-N 3.36Å; K108-L152 HydrophobicContact CB-CB 4.32Å; K108-L152 HydrophobicContact CG-CB 3.9Å |
| 109 | M | 94.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 149.3 | 173.2 | -62.8 | 177.4 | 70.3 | 0 | 0 | 108.7 | S65 V67 F76 A78 L84 V106 L118 A119 T120 | S65-M109 WeakPolarHBondContact OG-CG 3.43Å; S65-M109 PolarHBondContact OG-SD 2.99Å; V67-M109 HydrophobicContact CB-CB 4.03Å; V67-M109 HydrophobicContact CG1-CB 3.73Å; V67-M109 HydrophobicContact CG1-CE 4.08Å; F76-M109 HydrophobicContact CB-CE 3.73Å; A78-M109 HydrophobicContact CB-SD 3.63Å; L84-M109 HydrophobicContact CD2-CE 3.66Å; L84-M109 HydrophobicContact CD2-SD 4.29Å; V106-M109 HydrophobicContact CG1-CG 3.79Å; V106-M109 HydrophobicContact CG1-SD 4.45Å; M109-L118 HydrophobicContact CB-CD1 4.44Å; M109-L118 HydrophobicContact CE-CD1 3.68Å; M109-L118 HydrophobicContact CE-CD2 3.87Å; M109-L118 HydrophobicContact CE-CG 4.29Å; M109-A119 VanDerWaalsContact CA-O 3.32Å; M109-A119 WeakPolarHBondContact CA-O 3.47Å; M109-T120 HydrophobicContact CE-CG2 4.2Å; M109-T120 HydrophobicContact CG-CG2 4.24Å |
| 110 | A | 93.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 7% | 0.066 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L118 A119 L152 F154 | A110-L118 WeakPolarHBondContact O-CD1 3.18Å; A110-A119 PolarHBondContact N-O 3.47Å; A110-A119 PolarHBondContact O-N 2.8Å; A110-L152 HydrophobicContact CB-CB 4.2Å; A110-L152 HydrophobicContact CB-CD2 4.07Å; A110-L152 HydrophobicContact CB-CG 3.88Å; A110-F154 HydrophobicContact CB-CD2 3.87Å; A110-F154 HydrophobicContact CB-CE2 4.02Å; A110-F154 WeakPolarHBondContact O-CE2 3.28Å |
| 111 | L | 93.4 | Very high | 91.4 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.4 | 168.5 | -74.3 | 168 | 0 | 0 | 0 | 109.1 | V67 F76 L118 I132 F154 | V67-L111 HydrophobicContact CB-CD1 4.43Å; V67-L111 HydrophobicContact CB-CG 4.47Å; V67-L111 HydrophobicContact CG1-CD1 3.88Å; V67-L111 HydrophobicContact CG1-CG 3.74Å; V67-L111 HydrophobicContact CG2-CB 4.2Å; V67-L111 HydrophobicContact CG2-CD1 3.91Å; V67-L111 HydrophobicContact CG2-CG 3.89Å; F76-L111 HydrophobicContact CD2-CD1 3.69Å; F76-L111 HydrophobicContact CD2-CD2 3.9Å; F76-L111 HydrophobicContact CD2-CG 4.28Å; F76-L111 HydrophobicContact CE2-CD1 3.95Å; F76-L111 HydrophobicContact CE2-CD2 3.83Å; F76-L111 HydrophobicContact CZ-CD2 4.44Å; L111-L118 HydrophobicContact CD2-CB 3.85Å; L111-L118 HydrophobicContact CD2-CD1 3.64Å; L111-L118 HydrophobicContact CD2-CG 4.37Å; L111-L118 HydrophobicContact CG-CD1 4.05Å; L111-I132 HydrophobicContact CD2-CD1 3.51Å; L111-F154 WeakPolarHBondContact O-CD2 3.35Å |
| 112 | N | 90.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | trans | -78.5 | 163.1 | 165.9 | 71.8 | -28.7 | 0 | 0 | 0 | 110.7 | F114 S115 T116 R117 F154 | N112-F114 PolarHBondContact O-N 3.42Å; N112-F114 VanDerWaalsContact O-N 3.1Å; N112-S115 PolarHBondContact O-N 3.12Å; N112-S115 VanDerWaalsContact OD1-CA 3.24Å; N112-S115 WeakPolarHBondContact OD1-CA 3.33Å; N112-S115 PolarHBondContact OD1-N 2.58Å; N112-S115 VanDerWaalsContact OD1-N 3.09Å; N112-T116 PolarHBondContact ND2-OG1 3.49Å; N112-T116 PolarHBondContact OD1-N 2.93Å; N112-R117 HydrophobicContact CB-CB 4.23Å; N112-R117 PolarHBondContact N-O 3.38Å; N112-R117 VanDerWaalsContact N-O 3.08Å; N112-R117 PolarHBondContact OD1-N 3.38Å; N112-R117 PolarHBondContact OD1-O 3.32Å; N112-R117 VanDerWaalsContact OD1-O 3.13Å; N112-F154 HydrophobicContact CB-CB 4.3Å; N112-F154 HydrophobicContact CB-CD1 4.14Å; N112-F154 HydrophobicContact CB-CD2 4.29Å; N112-F154 HydrophobicContact CB-CG 3.99Å | ||
| 113 | K | 84.5 | Confident | 91.7 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.1 | -175.8 | 179.1 | 162.1 | -175.4 | 155.2 | 0 | 114.9 | E70 | E70-K113 WeakPolarHBondContact OE2-CE 3.44Å; E70-K113 IonicContact OE2-NZ 2.91Å |
| 114 | F | 85.3 | Confident | 91.8 | Very high | 155 Ų | 155 | 38.9 Ų | 38.9 | 68% | 0.68 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 10.3 | -178.2 | -58.2 | -68.8 | 0 | 0 | 0 | 113.4 | N112 T116 | N112-F114 PolarHBondContact O-N 3.42Å; N112-F114 VanDerWaalsContact O-N 3.1Å; F114-T116 HydrophobicContact CB-CG2 4.16Å; F114-T116 WeakPolarHBondContact O-CG2 3.34Å; F114-T116 PolarHBondContact O-N 2.75Å; F114-T116 VanDerWaalsContact O-N 3.07Å |
| 115 | S | 86.7 | Confident | 91.9 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 50 | 34.1 | -177.4 | -75.9 | 0 | 0 | 0 | 0 | 115.3 | D69 N112 I132 | D69-S115 WeakPolarHBondContact CB-OG 3.26Å; D69-S115 WeakPolarHBondContact OD1-CB 3.29Å; D69-S115 PolarHBondContact OD1-OG 2.83Å; N112-S115 PolarHBondContact O-N 3.12Å; N112-S115 VanDerWaalsContact OD1-CA 3.24Å; N112-S115 WeakPolarHBondContact OD1-CA 3.33Å; N112-S115 PolarHBondContact OD1-N 2.58Å; N112-S115 VanDerWaalsContact OD1-N 3.09Å; S115-I132 WeakPolarHBondContact O-CB 3.44Å; S115-I132 VanDerWaalsContact O-CG2 3.28Å; S115-I132 WeakPolarHBondContact O-CG2 3.4Å |
| 116 | T | 89.5 | Confident | 92 | Very high | 62 Ų | 62 | 33.2 Ų | 33.2 | 38% | 0.38 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -96.2 | -15.9 | 174.1 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | N112 F114 I132 | N112-T116 PolarHBondContact ND2-OG1 3.49Å; N112-T116 PolarHBondContact OD1-N 2.93Å; F114-T116 HydrophobicContact CB-CG2 4.16Å; F114-T116 WeakPolarHBondContact O-CG2 3.34Å; F114-T116 PolarHBondContact O-N 2.75Å; F114-T116 VanDerWaalsContact O-N 3.07Å; T116-I132 PolarHBondContact O-N 3.28Å |
| 117 | R | 91.8 | Very high | 92 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 16% | 0.162 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.8 | -177.1 | -66.1 | -85.4 | -170.9 | -179.2 | 1.7 | 109.8 | N112 W130 S139 F154 T176 | N112-R117 HydrophobicContact CB-CB 4.23Å; N112-R117 PolarHBondContact N-O 3.38Å; N112-R117 VanDerWaalsContact N-O 3.08Å; N112-R117 PolarHBondContact OD1-N 3.38Å; N112-R117 PolarHBondContact OD1-O 3.32Å; N112-R117 VanDerWaalsContact OD1-O 3.13Å; R117-W130 WeakPolarHBondContact CA-O 3.14Å; R117-S139 PolarHBondContact NH1-OG 3.41Å; R117-F154 HydrophobicContact CB-CE1 4.06Å; R117-F154 HydrophobicContact CB-CZ 4.01Å; R117-T176 PolarHBondContact NH1-O 2.95Å |
| 118 | L | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.2 | 171.5 | 170.6 | 78.6 | 0 | 0 | 0 | 108.7 | V67 F76 W98 M109 A110 L111 T120 W130 I132 | V67-L118 HydrophobicContact CG1-CD1 3.72Å; F76-L118 HydrophobicContact CB-CD1 4.34Å; F76-L118 HydrophobicContact CD1-CD2 3.98Å; F76-L118 HydrophobicContact CG-CD1 4.43Å; F76-L118 HydrophobicContact CG-CD2 4.41Å; W98-L118 HydrophobicContact CZ2-CD2 4.37Å; M109-L118 HydrophobicContact CB-CD1 4.44Å; M109-L118 HydrophobicContact CE-CD1 3.68Å; M109-L118 HydrophobicContact CE-CD2 3.87Å; M109-L118 HydrophobicContact CE-CG 4.29Å; A110-L118 WeakPolarHBondContact O-CD1 3.18Å; L111-L118 HydrophobicContact CD2-CB 3.85Å; L111-L118 HydrophobicContact CD2-CD1 3.64Å; L111-L118 HydrophobicContact CD2-CG 4.37Å; L111-L118 HydrophobicContact CG-CD1 4.05Å; L118-T120 HydrophobicContact CD2-CG2 4.15Å; L118-T120 HydrophobicContact CG-CG2 4.21Å; L118-W130 HydrophobicContact CB-CB 4.1Å; L118-W130 HydrophobicContact CD2-CB 4.5Å; L118-W130 HydrophobicContact CD2-CG 4.34Å; L118-W130 PolarHBondContact N-O 2.98Å; L118-W130 PolarHBondContact O-N 3.24Å; L118-I132 HydrophobicContact CB-CD1 3.46Å; L118-I132 VanDerWaalsContact CB-CD1 3.46Å; L118-I132 HydrophobicContact CB-CG1 4.18Å |
| 119 | A | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | M109 A110 R128 L129 L152 F154 L161 | M109-A119 VanDerWaalsContact CA-O 3.32Å; M109-A119 WeakPolarHBondContact CA-O 3.47Å; A110-A119 PolarHBondContact N-O 3.47Å; A110-A119 PolarHBondContact O-N 2.8Å; A119-R128 CarbonylContact C-O 3.57Å; A119-R128 WeakPolarHBondContact CA-O 3.42Å; A119-L129 HydrophobicContact CB-CD2 3.89Å; A119-L152 HydrophobicContact CB-CD1 4.25Å; A119-L152 HydrophobicContact CB-CD2 3.6Å; A119-L152 HydrophobicContact CB-CG 3.99Å; A119-L152 WeakPolarHBondContact O-CD2 3.37Å; A119-F154 HydrophobicContact CB-CE2 3.51Å; A119-F154 HydrophobicContact CB-CZ 3.55Å; A119-L161 HydrophobicContact CB-CD1 3.89Å; A119-L161 HydrophobicContact CB-CD2 3.68Å; A119-L161 HydrophobicContact CB-CG 4.48Å |
| 120 | T | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.4 | 176.1 | 58 | 0 | 0 | 0 | 0 | 109.7 | L84 H102 V106 M109 L118 V127 R128 W130 | L84-T120 HydrophobicContact CD1-CG2 4.06Å; L84-T120 HydrophobicContact CD2-CG2 3.91Å; H102-T120 PolarHBondContact CE1-O 3.27Å; H102-T120 PolarHBondContact NE2-O 2.93Å; H102-T120 PolarHBondContact NE2-OG1 3.29Å; V106-T120 HydrophobicContact CG1-CG2 4.26Å; M109-T120 HydrophobicContact CE-CG2 4.2Å; M109-T120 HydrophobicContact CG-CG2 4.24Å; L118-T120 HydrophobicContact CD2-CG2 4.15Å; L118-T120 HydrophobicContact CG-CG2 4.21Å; T120-V127 CarbonylContact O-C 3.47Å; T120-V127 WeakPolarHBondContact O-CA 3.2Å; T120-R128 PolarHBondContact N-O 3.07Å; T120-R128 PolarHBondContact O-N 3.31Å; T120-W130 PolarHBondContact OG1-NE1 3.43Å |
| 121 | G | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V106 Q107 K108 | V106-G121 WeakPolarHBondContact CG1-O 3.4Å; Q107-G121 PolarHBondContact N-O 2.96Å; K108-G121 PolarHBondContact N-O 3.22Å; K108-G121 VanDerWaalsContact N-O 3.1Å; K108-G121 PolarHBondContact O-N 3.36Å |
| 122 | S | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 167.5 | -173.6 | 164.6 | 0 | 0 | 0 | 0 | 112.4 | H102 R104 I105 D124 M125 | H102-S122 WeakPolarHBondContact ND1-CB 3.45Å; R104-S122 VanDerWaalsContact C-OG 3.24Å; R104-S122 PolarHBondContact O-OG 3.4Å; I105-S122 WeakPolarHBondContact O-CA 3.37Å; I105-S122 WeakPolarHBondContact O-CB 3.42Å; I105-S122 PolarHBondContact O-OG 2.85Å; S122-D124 WeakPolarHBondContact CB-OD1 3.28Å; S122-D124 PolarHBondContact O-N 2.88Å; S122-D124 PolarHBondContact OG-N 2.79Å; S122-D124 PolarHBondContact OG-OD1 2.92Å; S122-M125 PolarHBondContact O-N 2.93Å |
| 123 | G | 90.5 | Very high | 91.4 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 6% | 0.062 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -4.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R104 I105 M125 | R104-G123 VanDerWaalsContact CD-C 3.48Å; R104-G123 WeakPolarHBondContact CD-O 3.44Å; R104-G123 PolarHBondContact NH1-O 2.83Å; I105-G123 PolarHBondContact O-N 2.76Å; I105-G123 VanDerWaalsContact O-N 3.16Å; G123-M125 PolarHBondContact O-N 3.36Å |
| 124 | D | 92.5 | Very high | 91.1 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 6.3 | 171.6 | 74.7 | -6.8 | 0 | 0 | 0 | 113.3 | H102 Q103 R104 S122 V126 R128 | H102-D124 WeakPolarHBondContact CA-OD2 3.23Å; H102-D124 WeakPolarHBondContact CB-OD2 3.33Å; H102-D124 IonicContact CE1-OD1 3.18Å; H102-D124 IonicContact CG-OD2 3.47Å; H102-D124 IonicContact ND1-OD1 2.87Å; H102-D124 PolarHBondContact ND1-OD1 3.48Å; H102-D124 IonicContact ND1-OD2 2.8Å; H102-D124 PolarHBondContact ND1-OD2 3.25Å; H102-D124 VanDerWaalsContact ND1-OD2 3.1Å; Q103-D124 HydrophobicContact CB-CB 4.09Å; Q103-D124 PolarHBondContact N-OD2 2.84Å; Q103-D124 VanDerWaalsContact N-OD2 3.07Å; R104-D124 HydrophobicContact CB-CB 4.12Å; R104-D124 HydrophobicContact CG-CB 4.26Å; S122-D124 WeakPolarHBondContact CB-OD1 3.28Å; S122-D124 PolarHBondContact O-N 2.88Å; S122-D124 PolarHBondContact OG-N 2.79Å; S122-D124 PolarHBondContact OG-OD1 2.92Å; D124-V126 PolarHBondContact O-N 2.98Å; D124-V126 WeakPolarHBondContact OD1-CB 3.11Å; D124-V126 PolarHBondContact OD1-N 3.08Å; D124-V126 VanDerWaalsContact OD1-N 3.09Å; D124-R128 IonicContact OD1-NH1 2.86Å; D124-R128 IonicContact OD2-CZ 3.91Å; D124-R128 IonicContact OD2-NH1 3.37Å; D124-R128 PolarHBondContact OD2-NH1 2.9Å; D124-R128 IonicContact OD2-NH2 3.83Å |
| 125 | M | 93.3 | Very high | 90.6 | Very high | 85 Ų | 85 | 33.4 Ų | 33.4 | 42% | 0.419 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 68.4 | 9.3 | 179 | -44.2 | 168.1 | 176.1 | 0 | 0 | 113.9 | S122 G123 Q146 G147 | S122-M125 PolarHBondContact O-N 2.93Å; G123-M125 PolarHBondContact O-N 3.36Å; M125-Q146 WeakPolarHBondContact CE-O 3.5Å; M125-Q146 VanDerWaalsContact SD-C 3.57Å; M125-Q146 VanDerWaalsContact SD-O 3.36Å; M125-G147 WeakPolarHBondContact CA-O 3.3Å; M125-G147 WeakPolarHBondContact CB-O 3.46Å; M125-G147 WeakPolarHBondContact CG-O 2.97Å |
| 126 | V | 94.3 | Very high | 90.2 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136 | -178.3 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | H102 D124 R128 R143 I149 | H102-V126 PolarHBondContact CE1-O 2.49Å; H102-V126 VanDerWaalsContact CE1-O 3.26Å; D124-V126 PolarHBondContact O-N 2.98Å; D124-V126 WeakPolarHBondContact OD1-CB 3.11Å; D124-V126 PolarHBondContact OD1-N 3.08Å; D124-V126 VanDerWaalsContact OD1-N 3.09Å; V126-R128 HydrophobicContact CG1-CG 4.14Å; V126-R143 HydrophobicContact CG1-CG 4.01Å; V126-R143 HydrophobicContact CG2-CG 3.95Å; V126-I149 WeakPolarHBondContact O-CD1 3.39Å |
| 127 | V | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126 | 165.5 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | T120 C142 I149 L152 L161 | T120-V127 CarbonylContact O-C 3.47Å; T120-V127 WeakPolarHBondContact O-CA 3.2Å; V127-C142 HydrophobicContact CB-CB 4.08Å; V127-C142 PolarHBondContact N-O 2.93Å; V127-C142 VanDerWaalsContact N-O 3.09Å; V127-C142 WeakPolarHBondContact O-CB 3.44Å; V127-C142 PolarHBondContact O-N 2.81Å; V127-I149 HydrophobicContact CB-CD1 4.32Å; V127-I149 HydrophobicContact CG2-CD1 3.41Å; V127-I149 VanDerWaalsContact CG2-CD1 3.41Å; V127-I149 HydrophobicContact CG2-CG1 4.01Å; V127-I149 HydrophobicContact CG2-CG2 4.42Å; V127-L152 HydrophobicContact CG1-CD1 3.83Å; V127-L152 HydrophobicContact CG2-CD1 4.16Å; V127-L161 HydrophobicContact CG1-CD2 3.62Å |
| 128 | R | 94.3 | Very high | 89.7 | Confident | 17 Ų | 17 | 35.9 Ų | 35.9 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.6 | 174.6 | -69.5 | -173.3 | 168.6 | 77.9 | -4.3 | 110.7 | S100 C101 H102 A119 T120 D124 V126 W130 F138 | S100-R128 WeakPolarHBondContact O-CD 3.29Å; C101-R128 PolarHBondContact O-NH2 2.83Å; H102-R128 PolarHBondContact CE1-NH1 3.49Å; H102-R128 PolarHBondContact ND1-NH1 2.89Å; H102-R128 WeakPolarHBondContact NE2-CD 3.29Å; A119-R128 CarbonylContact C-O 3.57Å; A119-R128 WeakPolarHBondContact CA-O 3.42Å; T120-R128 PolarHBondContact N-O 3.07Å; T120-R128 PolarHBondContact O-N 3.31Å; D124-R128 IonicContact OD1-NH1 2.86Å; D124-R128 IonicContact OD2-CZ 3.91Å; D124-R128 IonicContact OD2-NH1 3.37Å; D124-R128 PolarHBondContact OD2-NH1 2.9Å; D124-R128 IonicContact OD2-NH2 3.83Å; V126-R128 HydrophobicContact CG1-CG 4.14Å; R128-W130 HydrophobicContact CB-CZ2 4.27Å; R128-F138 HydrophobicContact CB-CE2 4.23Å; R128-F138 HydrophobicContact CG-CE2 3.99Å |
| 129 | L | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.9 | 178.2 | -74.2 | 173 | 0 | 0 | 0 | 110.2 | A119 S139 T140 F154 L161 | A119-L129 HydrophobicContact CB-CD2 3.89Å; L129-S139 WeakPolarHBondContact O-CB 3.28Å; L129-S139 PolarHBondContact O-N 2.9Å; L129-T140 PolarHBondContact N-O 2.79Å; L129-T140 PolarHBondContact O-N 2.81Å; L129-F154 HydrophobicContact CD2-CE1 4.14Å; L129-F154 HydrophobicContact CD2-CZ 3.92Å; L129-L161 HydrophobicContact CD2-CD2 3.74Å; L129-L161 HydrophobicContact CG-CD2 4.44Å |
| 130 | W | 92.7 | Very high | 89 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 140.5 | -177.5 | -51.3 | 86.3 | 0 | 0 | 0 | 109.3 | L84 W98 M99 S100 R117 L118 T120 R128 G137 F138 | L84-W130 HydrophobicContact CD1-CD2 4.17Å; L84-W130 HydrophobicContact CD1-CH2 4.07Å; L84-W130 HydrophobicContact CD1-CZ2 3.58Å; W98-W130 AromaticContact CD1-CE3 3.92Å; W98-W130 AromaticContact CD1-CZ3 3.53Å; W98-W130 AromaticContact NE1-CE3 3.46Å; W98-W130 AromaticContact NE1-CZ3 3.53Å; M99-W130 VanDerWaalsContact O-CH2 3.29Å; M99-W130 WeakPolarHBondContact O-CH2 3.43Å; S100-W130 VanDerWaalsContact O-CH2 3.32Å; S100-W130 WeakPolarHBondContact O-CH2 3.05Å; S100-W130 WeakPolarHBondContact O-CZ2 2.98Å; R117-W130 WeakPolarHBondContact CA-O 3.14Å; L118-W130 HydrophobicContact CB-CB 4.1Å; L118-W130 HydrophobicContact CD2-CB 4.5Å; L118-W130 HydrophobicContact CD2-CG 4.34Å; L118-W130 PolarHBondContact N-O 2.98Å; L118-W130 PolarHBondContact O-N 3.24Å; T120-W130 PolarHBondContact OG1-NE1 3.43Å; R128-W130 HydrophobicContact CB-CZ2 4.27Å; W130-G137 WeakPolarHBondContact CA-O 3.46Å; W130-F138 HydrophobicContact CE3-CB 3.97Å; W130-F138 HydrophobicContact CH2-CB 4.25Å; W130-F138 HydrophobicContact CH2-CD2 4.04Å; W130-F138 HydrophobicContact CZ2-CD2 4.31Å; W130-F138 HydrophobicContact CZ3-CB 3.62Å; W130-F138 HydrophobicContact CZ3-CD2 4.18Å; W130-F138 HydrophobicContact CZ3-CG 4.4Å |
| 131 | H | 91.1 | Very high | 88.8 | Confident | 74 Ų | 74 | 40.8 Ų | 40.8 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 133.8 | 169.7 | -172.6 | -69.2 | 0 | 0 | 0 | 109.1 | E136 G137 | H131-E136 WeakPolarHBondContact O-CA 3.24Å; H131-G137 PolarHBondContact N-O 2.97Å; H131-G137 PolarHBondContact O-N 2.83Å |
| 132 | I | 87.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | trans | -116.6 | 134.7 | 177.4 | -59.4 | 160.8 | 0 | 0 | 0 | 108.2 | F76 L111 S115 T116 L118 | F76-I132 HydrophobicContact CE1-CD1 3.81Å; F76-I132 HydrophobicContact CE1-CG1 4.08Å; F76-I132 HydrophobicContact CE1-CG2 4.48Å; F76-I132 HydrophobicContact CE2-CD1 4.11Å; F76-I132 HydrophobicContact CZ-CD1 3.5Å; F76-I132 HydrophobicContact CZ-CG1 4.03Å; F76-I132 HydrophobicContact CZ-CG2 3.91Å; L111-I132 HydrophobicContact CD2-CD1 3.51Å; S115-I132 WeakPolarHBondContact O-CB 3.44Å; S115-I132 VanDerWaalsContact O-CG2 3.28Å; S115-I132 WeakPolarHBondContact O-CG2 3.4Å; T116-I132 PolarHBondContact O-N 3.28Å; L118-I132 HydrophobicContact CB-CD1 3.46Å; L118-I132 VanDerWaalsContact CB-CD1 3.46Å; L118-I132 HydrophobicContact CB-CG1 4.18Å | ||
| 133 | G | 83 | Confident | 88.5 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 32% | 0.32 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 141.9 | -155.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K135 E136 | G133-K135 PolarHBondContact O-N 2.86Å; G133-E136 WeakPolarHBondContact O-CG 3.37Å |
| 134 | P | 77.3 | Confident | 88.5 | Confident | 139 Ų | 139 | 52.4 Ų | 52.4 | 90% | 0.903 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.2 | -174.8 | 24.7 | -33.6 | 0 | 0 | 0 | 114.2 | ||
| 135 | K | 75.9 | Confident | 88.5 | Confident | 182 Ų | 182 | 52 Ų | 52 | 79% | 0.791 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 69.8 | 174.9 | -68.7 | -174.8 | 179.5 | 179.7 | 0 | 110.3 | G133 | G133-K135 PolarHBondContact O-N 2.86Š|
| 136 | E | 78.5 | Confident | 88.3 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | trans | -71.3 | 137.8 | 179.5 | -43.6 | 176.8 | 137.8 | 0 | 0 | 111.2 | R86 K96 H131 G133 | R86-E136 IonicContact CZ-OE1 3.43Å; R86-E136 IonicContact NE-OE1 3.84Å; R86-E136 IonicContact NH1-OE1 2.77Å; R86-E136 PolarHBondContact NH1-OE1 3.11Å; K96-E136 WeakPolarHBondContact CD-OE2 3.42Å; K96-E136 WeakPolarHBondContact CE-OE2 3.43Å; K96-E136 IonicContact NZ-OE2 2.71Å; K96-E136 PolarHBondContact NZ-OE2 2.77Å; H131-E136 WeakPolarHBondContact O-CA 3.24Å; G133-E136 WeakPolarHBondContact O-CG 3.37Å | ||
| 137 | G | 83.2 | Confident | 88.1 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 168.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W130 H131 S139 | W130-G137 WeakPolarHBondContact CA-O 3.46Å; H131-G137 PolarHBondContact N-O 2.97Å; H131-G137 PolarHBondContact O-N 2.83Å; G137-S139 PolarHBondContact O-N 2.96Å |
| 138 | F | 87.2 | Confident | 88 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 127.3 | 170.3 | 173.1 | -100.6 | 0 | 0 | 0 | 110 | R128 W130 T140 S141 | R128-F138 HydrophobicContact CB-CE2 4.23Å; R128-F138 HydrophobicContact CG-CE2 3.99Å; W130-F138 HydrophobicContact CE3-CB 3.97Å; W130-F138 HydrophobicContact CH2-CB 4.25Å; W130-F138 HydrophobicContact CH2-CD2 4.04Å; W130-F138 HydrophobicContact CZ2-CD2 4.31Å; W130-F138 HydrophobicContact CZ3-CB 3.62Å; W130-F138 HydrophobicContact CZ3-CD2 4.18Å; W130-F138 HydrophobicContact CZ3-CG 4.4Å; F138-T140 WeakPolarHBondContact CE2-O 3.45Å; F138-S141 WeakPolarHBondContact CE2-OG 3.49Å; F138-S141 WeakPolarHBondContact CZ-OG 3.36Å |
| 139 | S | 85.7 | Confident | 88 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -67.3 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | R117 L129 G137 | R117-S139 PolarHBondContact NH1-OG 3.41Å; L129-S139 WeakPolarHBondContact O-CB 3.28Å; L129-S139 PolarHBondContact O-N 2.9Å; G137-S139 PolarHBondContact O-N 2.96Å |
| 140 | T | 89.6 | Confident | 87.9 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 18% | 0.184 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 163.2 | -172.3 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | L129 F138 G179 | L129-T140 PolarHBondContact N-O 2.79Å; L129-T140 PolarHBondContact O-N 2.81Å; F138-T140 WeakPolarHBondContact CE2-O 3.45Å; T140-G179 WeakPolarHBondContact OG1-CA 3.45Å |
| 141 | S | 91.4 | Very high | 87.8 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.1 | 173.5 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | F138 | F138-S141 WeakPolarHBondContact CE2-OG 3.49Å; F138-S141 WeakPolarHBondContact CZ-OG 3.36Å |
| 142 | C | 91.2 | Very high | 88 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.2 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 108.7 | V127 W174 G179 | V127-C142 HydrophobicContact CB-CB 4.08Å; V127-C142 PolarHBondContact N-O 2.93Å; V127-C142 VanDerWaalsContact N-O 3.09Å; V127-C142 WeakPolarHBondContact O-CB 3.44Å; V127-C142 PolarHBondContact O-N 2.81Å; C142-W174 HydrophobicContact CB-CD2 3.65Å; C142-W174 HydrophobicContact CB-CE3 3.49Å; C142-W174 VanDerWaalsContact CB-CE3 3.49Å; C142-W174 HydrophobicContact CB-CG 4.3Å; C142-W174 HydrophobicContact CB-CH2 3.78Å; C142-W174 HydrophobicContact CB-CZ2 3.99Å; C142-W174 HydrophobicContact CB-CZ3 3.57Å; C142-G179 PolarHBondContact SG-O 3.42Å; C142-G179 VanDerWaalsContact SG-O 3.37Å |
| 143 | R | 90.8 | Very high | 88.2 | Confident | 174 Ų | 174 | 61 Ų | 61 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 114.4 | -176.7 | -60.8 | -170.4 | 178.5 | 100.1 | -1.4 | 110 | V126 | V126-R143 HydrophobicContact CG1-CG 4.01Å; V126-R143 HydrophobicContact CG2-CG 3.95Å |
| 144 | L | 91.1 | Very high | 88.7 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | trans | -154.9 | -43 | 175.5 | 177.4 | 69.6 | 0 | 0 | 0 | 111.3 | F170 A172 W174 H181 | L144-F170 HydrophobicContact CD2-CE2 3.87Å; L144-F170 HydrophobicContact CD2-CZ 4.3Å; L144-F170 HydrophobicContact CG-CE2 4.48Å; L144-F170 HydrophobicContact CG-CZ 4.44Å; L144-A172 HydrophobicContact CD2-CB 3.8Å; L144-W174 HydrophobicContact CB-CH2 3.33Å; L144-W174 HydrophobicContact CB-CZ2 3.72Å; L144-W174 HydrophobicContact CB-CZ3 4.44Å; L144-W174 HydrophobicContact CD2-CH2 4.23Å; L144-W174 HydrophobicContact CD2-CZ2 4.24Å; L144-W174 HydrophobicContact CG-CH2 4.44Å; L144-H181 VanDerWaalsContact CD2-CD2 3.41Å; L144-H181 WeakPolarHBondContact CD2-CD2 3.28Å | ||
| 145 | H | 92.3 | Very high | 89.4 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.056 | 27% | 0.267 | C | S | . | . | trans | -62.4 | 149.7 | -177.1 | -66.1 | -59.2 | 0 | 0 | 0 | 113 | S163 D168 | H145-S163 PolarHBondContact CE1-O 2.96Å; H145-S163 PolarHBondContact NE2-O 2.76Å; H145-S163 PolarHBondContact NE2-OG 2.93Å; H145-D168 IonicContact CE1-OD2 3.98Å; H145-D168 IonicContact CG-OD2 2.69Å; H145-D168 IonicContact ND1-OD2 3.91Å; H145-D168 PolarHBondContact ND1-OD2 3.24Å | ||
| 146 | Q | 89 | Confident | 89.9 | Confident | 160 Ų | 160 | 46.7 Ų | 46.7 | 75% | 0.748 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -107.1 | 1.5 | 177.8 | -61.3 | -174.5 | -2.6 | 0 | 0 | 113.1 | M125 | M125-Q146 WeakPolarHBondContact CE-O 3.5Å; M125-Q146 VanDerWaalsContact SD-C 3.57Å; M125-Q146 VanDerWaalsContact SD-O 3.36Å |
| 147 | G | 90.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -134.1 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M125 S165 | M125-G147 WeakPolarHBondContact CA-O 3.3Å; M125-G147 WeakPolarHBondContact CB-O 3.46Å; M125-G147 WeakPolarHBondContact CG-O 2.97Å; G147-S165 WeakPolarHBondContact CA-OG 3.46Å; G147-S165 PolarHBondContact N-OG 2.86Å |
| 148 | M | 92.3 | Very high | 90.5 | Very high | 67 Ų | 67 | 51 Ų | 51 | 33% | 0.33 | 26% | 0.258 | S | S | . | . | trans | -68.3 | 136 | 174.5 | 171.4 | 173 | 136 | 0 | 0 | 110.4 | Q107 T150 S165 V166 | Q107-M148 HydrophobicContact CB-CE 3.77Å; Q107-M148 HydrophobicContact CB-CG 4.48Å; Q107-M148 HydrophobicContact CB-SD 4.44Å; Q107-M148 HydrophobicContact CG-CE 3.43Å; Q107-M148 VanDerWaalsContact CG-CE 3.43Å; Q107-M148 HydrophobicContact CG-CG 4.16Å; Q107-M148 HydrophobicContact CG-SD 3.68Å; Q107-M148 VanDerWaalsContact OE1-CE 3.28Å; M148-T150 PolarHBondContact O-N 3.19Å; M148-S165 CarbonylContact O-C 3.53Å; M148-S165 WeakPolarHBondContact O-CA 3.43Å; M148-S165 VanDerWaalsContact O-CB 3.31Å; M148-S165 WeakPolarHBondContact O-CB 3.22Å; M148-V166 HydrophobicContact CB-CG2 4.27Å; M148-V166 PolarHBondContact O-N 3.39Å | ||
| 149 | I | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 125.3 | -178.2 | -65.9 | 148.4 | 0 | 0 | 0 | 110.2 | V126 V127 | V126-I149 WeakPolarHBondContact O-CD1 3.39Å; V127-I149 HydrophobicContact CB-CD1 4.32Å; V127-I149 HydrophobicContact CG2-CD1 3.41Å; V127-I149 VanDerWaalsContact CG2-CD1 3.41Å; V127-I149 HydrophobicContact CG2-CG1 4.01Å; V127-I149 HydrophobicContact CG2-CG2 4.42Å |
| 150 | T | 90.2 | Very high | 90.9 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 31% | 0.307 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -33.3 | -177.3 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | M148 S164 V166 | M148-T150 PolarHBondContact O-N 3.19Å; T150-S164 PolarHBondContact N-O 2.58Å; T150-S164 PolarHBondContact OG1-O 2.83Å; T150-V166 HydrophobicContact CG2-CB 4.46Å; T150-V166 HydrophobicContact CG2-CG2 3.37Å |
| 151 | L | 91.3 | Very high | 91.1 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.094 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135 | -176.1 | -176.1 | 70.8 | 0 | 0 | 0 | 109.6 | S163 S164 V192 L195 | L151-S163 VanDerWaalsContact O-CA 3.25Å; L151-S163 WeakPolarHBondContact O-CA 3.27Å; L151-S164 PolarHBondContact N-O 2.94Å; L151-S164 PolarHBondContact O-N 3.25Å; L151-S164 VanDerWaalsContact O-N 3.14Å; L151-V192 HydrophobicContact CD2-CG1 4.04Å; L151-L195 HydrophobicContact CD2-CB 3.8Å; L151-L195 HydrophobicContact CD2-CD1 4.42Å |
| 152 | L | 93.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 118.6 | 176.6 | -160.9 | 64.6 | 0 | 0 | 0 | 108.5 | K108 A110 A119 V127 L161 F162 | K108-L152 HydrophobicContact CB-CB 4.32Å; K108-L152 HydrophobicContact CG-CB 3.9Å; A110-L152 HydrophobicContact CB-CB 4.2Å; A110-L152 HydrophobicContact CB-CD2 4.07Å; A110-L152 HydrophobicContact CB-CG 3.88Å; A119-L152 HydrophobicContact CB-CD1 4.25Å; A119-L152 HydrophobicContact CB-CD2 3.6Å; A119-L152 HydrophobicContact CB-CG 3.99Å; A119-L152 WeakPolarHBondContact O-CD2 3.37Å; V127-L152 HydrophobicContact CG1-CD1 3.83Å; V127-L152 HydrophobicContact CG2-CD1 4.16Å; L152-L161 HydrophobicContact CD1-CD1 3.96Å; L152-L161 HydrophobicContact CD1-CD2 3.93Å; L152-L161 HydrophobicContact CD1-CG 4.14Å; L152-L161 HydrophobicContact CG-CD1 4.15Å; L152-F162 WeakPolarHBondContact CA-O 3.22Å |
| 153 | K | 93.1 | Very high | 91.4 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 34% | 0.343 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 128.1 | -178.7 | -168.9 | 76.9 | 172.4 | -172.1 | 0 | 110.4 | F162 L195 F197 | K153-F162 PolarHBondContact N-O 2.74Å; K153-F162 PolarHBondContact O-N 2.88Å; K153-L195 HydrophobicContact CB-CD2 4.11Å; K153-L195 HydrophobicContact CG-CD2 4.08Å; K153-F197 HydrophobicContact CG-CE2 4.11Å |
| 154 | F | 93.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 147.8 | 172.3 | -78.5 | -85.5 | 0 | 0 | 0 | 111 | A110 L111 N112 R117 A119 L129 L161 T176 F197 | A110-F154 HydrophobicContact CB-CD2 3.87Å; A110-F154 HydrophobicContact CB-CE2 4.02Å; A110-F154 WeakPolarHBondContact O-CE2 3.28Å; L111-F154 WeakPolarHBondContact O-CD2 3.35Å; N112-F154 HydrophobicContact CB-CB 4.3Å; N112-F154 HydrophobicContact CB-CD1 4.14Å; N112-F154 HydrophobicContact CB-CD2 4.29Å; N112-F154 HydrophobicContact CB-CG 3.99Å; R117-F154 HydrophobicContact CB-CE1 4.06Å; R117-F154 HydrophobicContact CB-CZ 4.01Å; A119-F154 HydrophobicContact CB-CE2 3.51Å; A119-F154 HydrophobicContact CB-CZ 3.55Å; L129-F154 HydrophobicContact CD2-CE1 4.14Å; L129-F154 HydrophobicContact CD2-CZ 3.92Å; F154-L161 HydrophobicContact CD1-CB 4.25Å; F154-L161 HydrophobicContact CD1-CD1 3.9Å; F154-L161 HydrophobicContact CD2-CD1 3.86Å; F154-L161 HydrophobicContact CE1-CB 4.26Å; F154-L161 HydrophobicContact CE1-CD1 3.97Å; F154-L161 HydrophobicContact CE2-CD1 3.91Å; F154-L161 HydrophobicContact CG-CD1 3.87Å; F154-L161 HydrophobicContact CZ-CD1 3.99Å; F154-T176 HydrophobicContact CD1-CG2 3.85Å; F154-T176 HydrophobicContact CE1-CG2 3.57Å; F154-F197 WeakPolarHBondContact O-CE2 3.41Å |
| 155 | H | 92.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | trans | -66.8 | 140.6 | 164.7 | -172 | -81.5 | 0 | 0 | 0 | 109.9 | T157 L158 Y160 F162 F197 S218 | H155-T157 VanDerWaalsContact C-N 3.34Å; H155-T157 PolarHBondContact CE1-OG1 3.2Å; H155-T157 PolarHBondContact ND1-N 3.48Å; H155-T157 VanDerWaalsContact ND1-N 3.13Å; H155-T157 PolarHBondContact O-N 3Å; H155-L158 WeakPolarHBondContact CB-O 2.96Å; H155-L158 PolarHBondContact CE1-N 2.84Å; H155-L158 WeakPolarHBondContact ND1-CB 3.47Å; H155-L158 PolarHBondContact ND1-N 2.79Å; H155-Y160 WeakPolarHBondContact CB-O 3.35Å; H155-Y160 PolarHBondContact N-O 3.13Å; H155-F162 HydrophobicContact CB-CE2 3.97Å; H155-F197 HydrophobicContact CB-CZ 4.29Å; H155-F197 AromaticContact CD2-CD1 3.95Å; H155-F197 AromaticContact CD2-CE1 3.41Å; H155-F197 VanDerWaalsContact CD2-CE1 3.41Å; H155-F197 WeakPolarHBondContact CD2-CE1 3.27Å; H155-S218 PolarHBondContact CD2-OG 3.38Å; H155-S218 PolarHBondContact NE2-OG 2.65Å | ||
| 156 | P | 85.4 | Confident | 91.6 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -69.5 | -21.7 | -173.4 | 23.6 | -35.5 | 0 | 0 | 0 | 115.7 | F197 K201 | P156-F197 HydrophobicContact CG-CB 4.4Å; P156-F197 HydrophobicContact CG-CD2 4.24Å; P156-F197 HydrophobicContact CG-CG 4.13Å; P156-K201 HydrophobicContact CB-CD 4.06Å; P156-K201 HydrophobicContact CG-CB 4.35Å; P156-K201 HydrophobicContact CG-CD 3.75Å; P156-K201 HydrophobicContact CG-CG 3.84Å |
| 157 | T | 84.7 | Confident | 91.5 | Very high | 90 Ų | 90 | 31.8 Ų | 31.8 | 55% | 0.552 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -133.2 | -53.5 | -178.2 | 53.1 | 0 | 0 | 0 | 0 | 114 | H155 K201 | H155-T157 VanDerWaalsContact C-N 3.34Å; H155-T157 PolarHBondContact CE1-OG1 3.2Å; H155-T157 PolarHBondContact ND1-N 3.48Å; H155-T157 VanDerWaalsContact ND1-N 3.13Å; H155-T157 PolarHBondContact O-N 3Å; T157-K201 HydrophobicContact CG2-CD 3.7Å |
| 158 | L | 89.1 | Confident | 91.4 | Very high | 71 Ų | 71 | 32.1 Ų | 32.1 | 37% | 0.372 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -67.3 | 153.3 | 175.3 | -57.1 | 176.4 | 0 | 0 | 0 | 112.3 | H155 Y160 | H155-L158 WeakPolarHBondContact CB-O 2.96Å; H155-L158 PolarHBondContact CE1-N 2.84Å; H155-L158 WeakPolarHBondContact ND1-CB 3.47Å; H155-L158 PolarHBondContact ND1-N 2.79Å; L158-Y160 HydrophobicContact CB-CD2 3.67Å; L158-Y160 HydrophobicContact CB-CE2 3.98Å; L158-Y160 HydrophobicContact CB-CG 4.5Å; L158-Y160 HydrophobicContact CD1-CD2 4.05Å; L158-Y160 HydrophobicContact CD1-CE2 3.86Å; L158-Y160 PolarHBondContact O-N 2.74Å |
| 159 | P | 89.4 | Confident | 91.4 | Very high | 45 Ų | 45 | 33.3 Ų | 33.3 | 29% | 0.292 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -78.9 | 48.7 | -178.4 | 34.5 | -37.4 | 0 | 0 | 0 | 112.4 | T176 E177 | P159-T176 VanDerWaalsContact CA-OG1 3.29Å; P159-T176 WeakPolarHBondContact CA-OG1 3.17Å; P159-T176 VanDerWaalsContact CB-OG1 3.25Å; P159-T176 WeakPolarHBondContact CB-OG1 3.08Å; P159-T176 WeakPolarHBondContact O-CB 3.17Å; P159-T176 WeakPolarHBondContact O-CG2 3.39Å; P159-T176 PolarHBondContact O-N 2.7Å; P159-T176 PolarHBondContact O-OG1 3.24Å; P159-E177 HydrophobicContact CB-CG 4.17Å |
| 160 | Y | 92.9 | Very high | 91.3 | Very high | 58 Ų | 58 | 35.1 Ų | 35.1 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.2 | 179.2 | -60.4 | -49.6 | 0 | 0 | 0 | 112.6 | H155 L158 V173 W174 V182 F221 | H155-Y160 WeakPolarHBondContact CB-O 3.35Å; H155-Y160 PolarHBondContact N-O 3.13Å; L158-Y160 HydrophobicContact CB-CD2 3.67Å; L158-Y160 HydrophobicContact CB-CE2 3.98Å; L158-Y160 HydrophobicContact CB-CG 4.5Å; L158-Y160 HydrophobicContact CD1-CD2 4.05Å; L158-Y160 HydrophobicContact CD1-CE2 3.86Å; L158-Y160 PolarHBondContact O-N 2.74Å; Y160-V173 HydrophobicContact CD1-CG1 4.38Å; Y160-V173 HydrophobicContact CG-CG1 4.29Å; Y160-W174 CarbonylContact C-O 3.55Å; Y160-W174 VanDerWaalsContact CA-O 3.27Å; Y160-W174 WeakPolarHBondContact CA-O 3.36Å; Y160-V182 HydrophobicContact CD1-CG2 4.43Å; Y160-V182 HydrophobicContact CE1-CG2 4.16Å; Y160-F221 HydrophobicContact CD2-CE2 4.47Å; Y160-F221 AromaticContact CD2-CZ 3.7Å; Y160-F221 HydrophobicContact CD2-CZ 3.7Å; Y160-F221 HydrophobicContact CE2-CE2 4.16Å; Y160-F221 AromaticContact CE2-CZ 3.77Å; Y160-F221 HydrophobicContact CE2-CZ 3.77Å; Y160-F221 HydrophobicContact CG-CZ 4.22Å |
| 161 | L | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.8 | 172.9 | 174.6 | 74.3 | 0 | 0 | 0 | 109.3 | A119 V127 L129 L152 F154 V173 W174 T176 | A119-L161 HydrophobicContact CB-CD1 3.89Å; A119-L161 HydrophobicContact CB-CD2 3.68Å; A119-L161 HydrophobicContact CB-CG 4.48Å; V127-L161 HydrophobicContact CG1-CD2 3.62Å; L129-L161 HydrophobicContact CD2-CD2 3.74Å; L129-L161 HydrophobicContact CG-CD2 4.44Å; L152-L161 HydrophobicContact CD1-CD1 3.96Å; L152-L161 HydrophobicContact CD1-CD2 3.93Å; L152-L161 HydrophobicContact CD1-CG 4.14Å; L152-L161 HydrophobicContact CG-CD1 4.15Å; F154-L161 HydrophobicContact CD1-CB 4.25Å; F154-L161 HydrophobicContact CD1-CD1 3.9Å; F154-L161 HydrophobicContact CD2-CD1 3.86Å; F154-L161 HydrophobicContact CE1-CB 4.26Å; F154-L161 HydrophobicContact CE1-CD1 3.97Å; F154-L161 HydrophobicContact CE2-CD1 3.91Å; F154-L161 HydrophobicContact CG-CD1 3.87Å; F154-L161 HydrophobicContact CZ-CD1 3.99Å; L161-V173 WeakPolarHBondContact O-CA 3.38Å; L161-W174 HydrophobicContact CB-CB 4.3Å; L161-W174 PolarHBondContact N-O 2.88Å; L161-W174 VanDerWaalsContact O-CD1 3.31Å; L161-W174 PolarHBondContact O-N 3.48Å; L161-T176 HydrophobicContact CB-CG2 3.74Å |
| 162 | F | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.4 | 177.2 | -60.9 | -92.3 | 0 | 0 | 0 | 110.3 | L152 K153 H155 V171 A172 V173 L185 L195 F197 L204 F221 | L152-F162 WeakPolarHBondContact CA-O 3.22Å; K153-F162 PolarHBondContact N-O 2.74Å; K153-F162 PolarHBondContact O-N 2.88Å; H155-F162 HydrophobicContact CB-CE2 3.97Å; F162-V171 HydrophobicContact CB-CG1 3.81Å; F162-V171 HydrophobicContact CD1-CG1 4.09Å; F162-V171 HydrophobicContact CG-CG1 4.45Å; F162-A172 WeakPolarHBondContact CA-O 3.44Å; F162-V173 HydrophobicContact CD1-CB 4.44Å; F162-V173 HydrophobicContact CD1-CG1 4.38Å; F162-V173 HydrophobicContact CD1-CG2 3.68Å; F162-V173 HydrophobicContact CE1-CB 4.3Å; F162-V173 HydrophobicContact CE1-CG1 3.94Å; F162-V173 HydrophobicContact CE1-CG2 3.5Å; F162-V173 HydrophobicContact CZ-CG1 4.29Å; F162-L185 HydrophobicContact CD1-CD1 4.25Å; F162-L185 HydrophobicContact CE1-CD1 4.18Å; F162-L195 HydrophobicContact CB-CD1 3.61Å; F162-L195 HydrophobicContact CB-CD2 4.48Å; F162-L195 HydrophobicContact CD1-CD1 3.95Å; F162-L195 HydrophobicContact CD2-CD2 4.47Å; F162-L195 HydrophobicContact CG-CD1 3.8Å; F162-L195 HydrophobicContact CG-CD2 4.45Å; F162-F197 HydrophobicContact CD2-CE1 4.36Å; F162-F197 AromaticContact CD2-CZ 3.74Å; F162-F197 HydrophobicContact CD2-CZ 3.74Å; F162-F197 AromaticContact CE2-CE1 3.65Å; F162-F197 HydrophobicContact CE2-CE1 3.65Å; F162-F197 AromaticContact CE2-CZ 3.43Å; F162-F197 HydrophobicContact CE2-CZ 3.43Å; F162-F197 VanDerWaalsContact CE2-CZ 3.43Å; F162-F197 HydrophobicContact CZ-CE1 4.09Å; F162-F197 HydrophobicContact CZ-CZ 4.28Å; F162-L204 HydrophobicContact CD1-CD2 3.98Å; F162-L204 HydrophobicContact CE1-CD2 3.47Å; F162-L204 VanDerWaalsContact CE1-CD2 3.47Å; F162-L204 HydrophobicContact CZ-CD2 3.83Å; F162-F221 HydrophobicContact CE1-CD1 4.36Å; F162-F221 AromaticContact CE1-CE1 3.9Å; F162-F221 HydrophobicContact CE1-CE1 3.9Å; F162-F221 AromaticContact CZ-CE1 3.81Å; F162-F221 HydrophobicContact CZ-CE1 3.81Å |
| 163 | S | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 149.7 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | H145 L151 V171 A172 W174 | H145-S163 PolarHBondContact CE1-O 2.96Å; H145-S163 PolarHBondContact NE2-O 2.76Å; H145-S163 PolarHBondContact NE2-OG 2.93Å; L151-S163 VanDerWaalsContact O-CA 3.25Å; L151-S163 WeakPolarHBondContact O-CA 3.27Å; S163-V171 CarbonylContact O-C 3.6Å; S163-V171 WeakPolarHBondContact O-CA 3.13Å; S163-V171 WeakPolarHBondContact O-CG1 3.23Å; S163-A172 PolarHBondContact N-O 3.48Å; S163-A172 PolarHBondContact O-N 3.16Å; S163-W174 PolarHBondContact OG-NE1 3.3Å |
| 164 | S | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.4 | 171.9 | -165.2 | 0 | 0 | 0 | 0 | 109.9 | T150 L151 F170 | T150-S164 PolarHBondContact N-O 2.58Å; T150-S164 PolarHBondContact OG1-O 2.83Å; L151-S164 PolarHBondContact N-O 2.94Å; L151-S164 PolarHBondContact O-N 3.25Å; L151-S164 VanDerWaalsContact O-N 3.14Å; S164-F170 PolarHBondContact OG-O 3.23Å; S164-F170 VanDerWaalsContact OG-O 3.11Å |
| 165 | S | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 162.5 | -175.3 | 97.4 | 0 | 0 | 0 | 0 | 112.6 | G147 M148 G167 D168 | G147-S165 WeakPolarHBondContact CA-OG 3.46Å; G147-S165 PolarHBondContact N-OG 2.86Å; M148-S165 CarbonylContact O-C 3.53Å; M148-S165 WeakPolarHBondContact O-CA 3.43Å; M148-S165 VanDerWaalsContact O-CB 3.31Å; M148-S165 WeakPolarHBondContact O-CB 3.22Å; S165-G167 PolarHBondContact O-N 3.29Å; S165-D168 WeakPolarHBondContact CB-OD2 3.31Å; S165-D168 PolarHBondContact O-N 2.88Å; S165-D168 VanDerWaalsContact O-N 3.15Å; S165-D168 PolarHBondContact OG-OD2 2.83Å |
| 166 | V | 90.8 | Very high | 91.5 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 44% | 0.442 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 119.9 | 175 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | M148 T150 I191 | M148-V166 HydrophobicContact CB-CG2 4.27Å; M148-V166 PolarHBondContact O-N 3.39Å; T150-V166 HydrophobicContact CG2-CB 4.46Å; T150-V166 HydrophobicContact CG2-CG2 3.37Å; V166-I191 HydrophobicContact CG1-CD1 4.37Å |
| 167 | G | 86.9 | Confident | 91.6 | Very high | 46 Ų | 46 | 33 Ų | 33 | 47% | 0.474 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -20.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S165 H169 | S165-G167 PolarHBondContact O-N 3.29Å; G167-H169 PolarHBondContact O-CE1 2.78Å |
| 168 | D | 89.7 | Confident | 91.8 | Very high | 14 Ų | 14 | 32 Ų | 32 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | trans | -77.8 | 140.4 | 172.4 | -65.2 | -25.4 | 0 | 0 | 0 | 110.4 | H145 S165 F170 | H145-D168 IonicContact CE1-OD2 3.98Å; H145-D168 IonicContact CG-OD2 2.69Å; H145-D168 IonicContact ND1-OD2 3.91Å; H145-D168 PolarHBondContact ND1-OD2 3.24Å; S165-D168 WeakPolarHBondContact CB-OD2 3.31Å; S165-D168 PolarHBondContact O-N 2.88Å; S165-D168 VanDerWaalsContact O-N 3.15Å; S165-D168 PolarHBondContact OG-OD2 2.83Å; D168-F170 HydrophobicContact CB-CD1 4.1Å; D168-F170 HydrophobicContact CB-CE1 3.9Å; D168-F170 HydrophobicContact CB-CZ 4.43Å | ||
| 169 | H | 90.8 | Very high | 91.7 | Very high | 92 Ų | 92 | 29 Ų | 29 | 43% | 0.426 | 16% | 0.163 | S | C | . | . | trans | -107 | 12 | 176.4 | -51.1 | -31.5 | 0 | 0 | 0 | 112.3 | G167 H188 | G167-H169 PolarHBondContact O-CE1 2.78Å; H169-H188 WeakPolarHBondContact CB-O 3.46Å | ||
| 170 | F | 92.6 | Very high | 91.8 | Very high | 39 Ų | 39 | 34 Ų | 34 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 164.2 | -179 | 68.5 | -88.3 | 0 | 0 | 0 | 110.7 | L144 S164 D168 A172 L185 E186 | L144-F170 HydrophobicContact CD2-CE2 3.87Å; L144-F170 HydrophobicContact CD2-CZ 4.3Å; L144-F170 HydrophobicContact CG-CE2 4.48Å; L144-F170 HydrophobicContact CG-CZ 4.44Å; S164-F170 PolarHBondContact OG-O 3.23Å; S164-F170 VanDerWaalsContact OG-O 3.11Å; D168-F170 HydrophobicContact CB-CD1 4.1Å; D168-F170 HydrophobicContact CB-CE1 3.9Å; D168-F170 HydrophobicContact CB-CZ 4.43Å; F170-A172 HydrophobicContact CE2-CB 4.19Å; F170-L185 VanDerWaalsContact CA-O 3.31Å; F170-L185 WeakPolarHBondContact CA-O 3.33Å; F170-L185 WeakPolarHBondContact CB-O 3.42Å; F170-E186 HydrophobicContact CB-CB 4.46Å; F170-E186 HydrophobicContact CB-CG 3.63Å; F170-E186 HydrophobicContact CG-CG 4.28Å |
| 171 | V | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.1 | 170.2 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | F162 S163 L185 V192 L195 T206 | F162-V171 HydrophobicContact CB-CG1 3.81Å; F162-V171 HydrophobicContact CD1-CG1 4.09Å; F162-V171 HydrophobicContact CG-CG1 4.45Å; S163-V171 CarbonylContact O-C 3.6Å; S163-V171 WeakPolarHBondContact O-CA 3.13Å; S163-V171 WeakPolarHBondContact O-CG1 3.23Å; V171-L185 HydrophobicContact CB-CB 4.08Å; V171-L185 HydrophobicContact CB-CD1 4.14Å; V171-L185 HydrophobicContact CB-CG 4.33Å; V171-L185 PolarHBondContact N-O 2.83Å; V171-L185 PolarHBondContact O-N 2.9Å; V171-V192 HydrophobicContact CG2-CB 4.04Å; V171-V192 HydrophobicContact CG2-CG1 3.77Å; V171-V192 HydrophobicContact CG2-CG2 3.8Å; V171-L195 HydrophobicContact CG1-CD1 3.81Å; V171-L195 HydrophobicContact CG2-CD1 4.49Å; V171-T206 HydrophobicContact CG2-CG2 4.05Å |
| 172 | A | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L144 F162 S163 F170 W174 | L144-A172 HydrophobicContact CD2-CB 3.8Å; F162-A172 WeakPolarHBondContact CA-O 3.44Å; S163-A172 PolarHBondContact N-O 3.48Å; S163-A172 PolarHBondContact O-N 3.16Å; F170-A172 HydrophobicContact CE2-CB 4.19Å; A172-W174 HydrophobicContact CB-CZ2 3.83Å |
| 173 | V | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.4 | 174.6 | -170 | 0 | 0 | 0 | 0 | 109 | Y160 L161 F162 V182 S183 L185 F221 | Y160-V173 HydrophobicContact CD1-CG1 4.38Å; Y160-V173 HydrophobicContact CG-CG1 4.29Å; L161-V173 WeakPolarHBondContact O-CA 3.38Å; F162-V173 HydrophobicContact CD1-CB 4.44Å; F162-V173 HydrophobicContact CD1-CG1 4.38Å; F162-V173 HydrophobicContact CD1-CG2 3.68Å; F162-V173 HydrophobicContact CE1-CB 4.3Å; F162-V173 HydrophobicContact CE1-CG1 3.94Å; F162-V173 HydrophobicContact CE1-CG2 3.5Å; F162-V173 HydrophobicContact CZ-CG1 4.29Å; V173-V182 HydrophobicContact CB-CB 4.47Å; V173-V182 HydrophobicContact CG1-CB 4.37Å; V173-V182 PolarHBondContact O-N 2.87Å; V173-S183 WeakPolarHBondContact CB-O 3.23Å; V173-S183 WeakPolarHBondContact CB-OG 3.4Å; V173-S183 VanDerWaalsContact CG2-OG 3.25Å; V173-S183 WeakPolarHBondContact CG2-OG 3.4Å; V173-S183 PolarHBondContact N-O 2.97Å; V173-L185 HydrophobicContact CG2-CD1 4.44Å; V173-L185 HydrophobicContact CG2-CD2 4.32Å; V173-L185 HydrophobicContact CG2-CG 4.08Å; V173-F221 HydrophobicContact CG1-CE1 4Å; V173-F221 HydrophobicContact CG1-CE2 4.16Å; V173-F221 HydrophobicContact CG1-CZ 3.74Å; V173-F221 HydrophobicContact CG2-CD1 4.2Å; V173-F221 HydrophobicContact CG2-CE1 4.31Å |
| 174 | W | 94.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.5 | -177.4 | -51.3 | 95.7 | 0 | 0 | 0 | 110.5 | C142 L144 Y160 L161 S163 A172 K180 H181 | C142-W174 HydrophobicContact CB-CD2 3.65Å; C142-W174 HydrophobicContact CB-CE3 3.49Å; C142-W174 VanDerWaalsContact CB-CE3 3.49Å; C142-W174 HydrophobicContact CB-CG 4.3Å; C142-W174 HydrophobicContact CB-CH2 3.78Å; C142-W174 HydrophobicContact CB-CZ2 3.99Å; C142-W174 HydrophobicContact CB-CZ3 3.57Å; L144-W174 HydrophobicContact CB-CH2 3.33Å; L144-W174 HydrophobicContact CB-CZ2 3.72Å; L144-W174 HydrophobicContact CB-CZ3 4.44Å; L144-W174 HydrophobicContact CD2-CH2 4.23Å; L144-W174 HydrophobicContact CD2-CZ2 4.24Å; L144-W174 HydrophobicContact CG-CH2 4.44Å; Y160-W174 CarbonylContact C-O 3.55Å; Y160-W174 VanDerWaalsContact CA-O 3.27Å; Y160-W174 WeakPolarHBondContact CA-O 3.36Å; L161-W174 HydrophobicContact CB-CB 4.3Å; L161-W174 PolarHBondContact N-O 2.88Å; L161-W174 VanDerWaalsContact O-CD1 3.31Å; L161-W174 PolarHBondContact O-N 3.48Å; S163-W174 PolarHBondContact OG-NE1 3.3Å; A172-W174 HydrophobicContact CB-CZ2 3.83Å; W174-K180 WeakPolarHBondContact CA-O 3.02Å; W174-H181 HydrophobicContact CE3-CB 3.93Å; W174-H181 HydrophobicContact CH2-CB 4.43Å; W174-H181 HydrophobicContact CZ3-CB 3.66Å |
| 175 | D | 92.7 | Very high | 91.3 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121 | 165.1 | 174.3 | 14 | 0 | 0 | 0 | 109.3 | E177 T178 G179 K180 V182 | D175-E177 VanDerWaalsContact C-N 3.27Å; D175-E177 PolarHBondContact O-N 2.91Å; D175-E177 PolarHBondContact OD1-N 3.08Å; D175-T178 WeakPolarHBondContact OD2-CB 3.19Å; D175-T178 VanDerWaalsContact OD2-CG2 3.24Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.18Å; D175-T178 PolarHBondContact OD2-N 3.15Å; D175-T178 PolarHBondContact OD2-OG1 3.02Å; D175-G179 WeakPolarHBondContact O-CA 3.27Å; D175-G179 PolarHBondContact O-N 3.15Å; D175-K180 PolarHBondContact N-O 3.46Å; D175-V182 HydrophobicContact CB-CG2 3.78Å |
| 176 | T | 89.2 | Confident | 91.1 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -18.2 | -178 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | R117 F154 P159 L161 | R117-T176 PolarHBondContact NH1-O 2.95Å; F154-T176 HydrophobicContact CD1-CG2 3.85Å; F154-T176 HydrophobicContact CE1-CG2 3.57Å; P159-T176 VanDerWaalsContact CA-OG1 3.29Å; P159-T176 WeakPolarHBondContact CA-OG1 3.17Å; P159-T176 VanDerWaalsContact CB-OG1 3.25Å; P159-T176 WeakPolarHBondContact CB-OG1 3.08Å; P159-T176 WeakPolarHBondContact O-CB 3.17Å; P159-T176 WeakPolarHBondContact O-CG2 3.39Å; P159-T176 PolarHBondContact O-N 2.7Å; P159-T176 PolarHBondContact O-OG1 3.24Å; L161-T176 HydrophobicContact CB-CG2 3.74Å |
| 177 | E | 88.7 | Confident | 90.8 | Very high | 127 Ų | 127 | 45.9 Ų | 45.9 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -48.7 | 176.5 | -65.4 | -174.9 | -179.7 | 0 | 0 | 111.3 | P159 D175 | P159-E177 HydrophobicContact CB-CG 4.17Å; D175-E177 VanDerWaalsContact C-N 3.27Å; D175-E177 PolarHBondContact O-N 2.91Å; D175-E177 PolarHBondContact OD1-N 3.08Å |
| 178 | T | 87.5 | Confident | 90.9 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -17.6 | -176.4 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | D175 K180 | D175-T178 WeakPolarHBondContact OD2-CB 3.19Å; D175-T178 VanDerWaalsContact OD2-CG2 3.24Å; D175-T178 WeakPolarHBondContact OD2-CG2 3.18Å; D175-T178 PolarHBondContact OD2-N 3.15Å; D175-T178 PolarHBondContact OD2-OG1 3.02Å; T178-K180 PolarHBondContact O-N 2.78Å; T178-K180 WeakPolarHBondContact OG1-CB 3.42Å; T178-K180 PolarHBondContact OG1-N 3.35Å |
| 179 | G | 88.4 | Confident | 90.7 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | trans | 69.2 | 13.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T140 C142 D175 | T140-G179 WeakPolarHBondContact OG1-CA 3.45Å; C142-G179 PolarHBondContact SG-O 3.42Å; C142-G179 VanDerWaalsContact SG-O 3.37Å; D175-G179 WeakPolarHBondContact O-CA 3.27Å; D175-G179 PolarHBondContact O-N 3.15Å | ||
| 180 | K | 91.2 | Very high | 90.6 | Very high | 150 Ų | 150 | 48.3 Ų | 48.3 | 65% | 0.652 | 26% | 0.255 | S | S | * | . | trans | -85.5 | 148.3 | -179.6 | -69.1 | -177.6 | 178 | 179.4 | 0 | 111.4 | W174 D175 T178 V182 | W174-K180 WeakPolarHBondContact CA-O 3.02Å; D175-K180 PolarHBondContact N-O 3.46Å; T178-K180 PolarHBondContact O-N 2.78Å; T178-K180 WeakPolarHBondContact OG1-CB 3.42Å; T178-K180 PolarHBondContact OG1-N 3.35Å; K180-V182 PolarHBondContact O-N 3.27Å | ||
| 181 | H | 92.3 | Very high | 90.4 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 38% | 0.375 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 125.6 | 169.8 | 174.1 | -100.3 | 0 | 0 | 0 | 110 | L144 W174 S183 | L144-H181 VanDerWaalsContact CD2-CD2 3.41Å; L144-H181 WeakPolarHBondContact CD2-CD2 3.28Å; W174-H181 HydrophobicContact CE3-CB 3.93Å; W174-H181 HydrophobicContact CH2-CB 4.43Å; W174-H181 HydrophobicContact CZ3-CB 3.66Å; H181-S183 VanDerWaalsContact NE2-C 3.26Å; H181-S183 PolarHBondContact NE2-O 2.83Å; H181-S183 VanDerWaalsContact NE2-O 3.13Å |
| 182 | V | 90.8 | Very high | 90.2 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -51.5 | 179.9 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | Y160 V173 D175 K180 F221 | Y160-V182 HydrophobicContact CD1-CG2 4.43Å; Y160-V182 HydrophobicContact CE1-CG2 4.16Å; V173-V182 HydrophobicContact CB-CB 4.47Å; V173-V182 HydrophobicContact CG1-CB 4.37Å; V173-V182 PolarHBondContact O-N 2.87Å; D175-V182 HydrophobicContact CB-CG2 3.78Å; K180-V182 PolarHBondContact O-N 3.27Å; V182-F221 HydrophobicContact CG1-CE2 4.15Å |
| 183 | S | 91.6 | Very high | 89.9 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 158.9 | -175.6 | 56.6 | 0 | 0 | 0 | 0 | 112.4 | V173 H181 F221 | V173-S183 WeakPolarHBondContact CB-O 3.23Å; V173-S183 WeakPolarHBondContact CB-OG 3.4Å; V173-S183 VanDerWaalsContact CG2-OG 3.25Å; V173-S183 WeakPolarHBondContact CG2-OG 3.4Å; V173-S183 PolarHBondContact N-O 2.97Å; H181-S183 VanDerWaalsContact NE2-C 3.26Å; H181-S183 PolarHBondContact NE2-O 2.83Å; H181-S183 VanDerWaalsContact NE2-O 3.13Å; S183-F221 VanDerWaalsContact OG-CD2 3.29Å; S183-F221 WeakPolarHBondContact OG-CD2 3.32Å; S183-F221 WeakPolarHBondContact OG-CG 3.33Å |
| 184 | S | 91.4 | Very high | 89.4 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.5 | 171 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | E186 | S184-E186 PolarHBondContact O-N 3.38Å; S184-E186 VanDerWaalsContact O-N 3.14Å; S184-E186 PolarHBondContact OG-OE1 3.47Å |
| 185 | L | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 84.4 | 175.6 | -54.4 | -176.4 | 0 | 0 | 0 | 109.5 | F162 F170 V171 V173 L204 T206 W216 F221 | F162-L185 HydrophobicContact CD1-CD1 4.25Å; F162-L185 HydrophobicContact CE1-CD1 4.18Å; F170-L185 VanDerWaalsContact CA-O 3.31Å; F170-L185 WeakPolarHBondContact CA-O 3.33Å; F170-L185 WeakPolarHBondContact CB-O 3.42Å; V171-L185 HydrophobicContact CB-CB 4.08Å; V171-L185 HydrophobicContact CB-CD1 4.14Å; V171-L185 HydrophobicContact CB-CG 4.33Å; V171-L185 PolarHBondContact N-O 2.83Å; V171-L185 PolarHBondContact O-N 2.9Å; V173-L185 HydrophobicContact CG2-CD1 4.44Å; V173-L185 HydrophobicContact CG2-CD2 4.32Å; V173-L185 HydrophobicContact CG2-CG 4.08Å; L185-L204 HydrophobicContact CD1-CD2 3.57Å; L185-T206 HydrophobicContact CD1-CG2 4.24Å; L185-W216 HydrophobicContact CB-CD2 4.18Å; L185-W216 HydrophobicContact CB-CE3 4.26Å; L185-W216 HydrophobicContact CB-CH2 3.82Å; L185-W216 HydrophobicContact CB-CZ2 3.71Å; L185-W216 HydrophobicContact CB-CZ3 4.08Å; L185-W216 HydrophobicContact CD1-CD2 4.22Å; L185-W216 HydrophobicContact CD1-CG 4.21Å; L185-W216 HydrophobicContact CD2-CD2 3.92Å; L185-W216 HydrophobicContact CD2-CE3 3.68Å; L185-W216 HydrophobicContact CD2-CG 4.38Å; L185-W216 HydrophobicContact CD2-CZ3 4.07Å; L185-W216 HydrophobicContact CG-CD2 4.33Å; L185-W216 HydrophobicContact CG-CE3 4.44Å; L185-F221 HydrophobicContact CD2-CB 3.77Å; L185-F221 HydrophobicContact CD2-CD1 4.17Å; L185-F221 HydrophobicContact CD2-CG 4.35Å |
| 186 | E | 89.3 | Confident | 88.9 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123 | -177.2 | -73.6 | 171.8 | -150.6 | 0 | 0 | 112.1 | F170 S184 W216 | F170-E186 HydrophobicContact CB-CB 4.46Å; F170-E186 HydrophobicContact CB-CG 3.63Å; F170-E186 HydrophobicContact CG-CG 4.28Å; S184-E186 PolarHBondContact O-N 3.38Å; S184-E186 VanDerWaalsContact O-N 3.14Å; S184-E186 PolarHBondContact OG-OE1 3.47Å; E186-W216 WeakPolarHBondContact O-CH2 3.38Å |
| 187 | G | 85.2 | Confident | 88.8 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | trans | 174.2 | -17.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | I214 | G187-I214 VanDerWaalsContact C-CD1 3.42Š| ||
| 188 | H | 88.6 | Confident | 88.5 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | trans | -77 | 154.8 | 172 | -72.7 | -76 | 0 | 0 | 0 | 111 | H169 V192 T206 G208 D210 V212 | H169-H188 WeakPolarHBondContact CB-O 3.46Å; H188-V192 HydrophobicContact CB-CG2 4.31Å; H188-T206 WeakPolarHBondContact NE2-CB 3.33Å; H188-T206 PolarHBondContact NE2-O 3.43Å; H188-T206 PolarHBondContact NE2-OG1 3.13Å; H188-G208 PolarHBondContact CE1-N 2.85Å; H188-D210 WeakPolarHBondContact CA-OD2 3.2Å; H188-D210 WeakPolarHBondContact CB-OD2 3.37Å; H188-D210 IonicContact CG-OD2 3.86Å; H188-D210 IonicContact ND1-OD1 2.88Å; H188-D210 PolarHBondContact ND1-OD1 3.23Å; H188-D210 IonicContact ND1-OD2 3.58Å; H188-D210 PolarHBondContact ND1-OD2 3.46Å; H188-V212 PolarHBondContact CE1-O 2.81Å | ||
| 189 | Q | 85.8 | Confident | 87.7 | Confident | 169 Ų | 169 | 50.1 Ų | 50.1 | 79% | 0.79 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -99.9 | 1.5 | 174.7 | -63 | -178.7 | -2.3 | 0 | 0 | 112.4 | D210 | Q189-D210 HydrophobicContact CB-CB 4.3Å; Q189-D210 PolarHBondContact N-OD2 2.88Å |
| 190 | S | 88.3 | Confident | 86.9 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -150.9 | -178.9 | -176.8 | 73.2 | 0 | 0 | 0 | 0 | 110.4 | V192 R209 D210 | S190-V192 PolarHBondContact O-N 3.36Å; S190-R209 WeakPolarHBondContact OG-CA 3.34Å; S190-R209 PolarHBondContact OG-N 2.87Å; S190-R209 VanDerWaalsContact OG-N 3.13Å; S190-D210 WeakPolarHBondContact OG-CB 3.35Å; S190-D210 PolarHBondContact OG-N 2.8Å |
| 191 | I | 88.3 | Confident | 86.2 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | trans | -61.5 | 132.1 | 179.2 | -57.7 | 164 | 0 | 0 | 0 | 110.2 | V166 T193 G208 R209 | V166-I191 HydrophobicContact CG1-CD1 4.37Å; I191-T193 PolarHBondContact O-N 3.01Å; I191-G208 WeakPolarHBondContact O-CA 3.41Å; I191-R209 PolarHBondContact O-N 2.93Å; I191-R209 VanDerWaalsContact O-N 3.09Å | ||
| 192 | V | 90 | Very high | 85.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.6 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | L151 V171 H188 S190 C207 | L151-V192 HydrophobicContact CD2-CG1 4.04Å; V171-V192 HydrophobicContact CG2-CB 4.04Å; V171-V192 HydrophobicContact CG2-CG1 3.77Å; V171-V192 HydrophobicContact CG2-CG2 3.8Å; H188-V192 HydrophobicContact CB-CG2 4.31Å; S190-V192 PolarHBondContact O-N 3.36Å; V192-C207 CarbonylContact C-O 3.47Å; V192-C207 WeakPolarHBondContact CA-O 3.44Å; V192-C207 VanDerWaalsContact CG1-O 3.23Å; V192-C207 WeakPolarHBondContact CG1-O 3.43Å |
| 193 | T | 86.6 | Confident | 85.3 | Confident | 71 Ų | 71 | 51.3 Ų | 51.3 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -39.1 | -174.8 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | I191 C207 R209 | I191-T193 PolarHBondContact O-N 3.01Å; T193-C207 PolarHBondContact N-O 3.32Å; T193-C207 PolarHBondContact OG1-O 3.02Å; T193-R209 HydrophobicContact CG2-CG 3.46Å; T193-R209 VanDerWaalsContact CG2-CG 3.46Å |
| 194 | S | 85.8 | Confident | 85.1 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 24% | 0.238 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 163.2 | 178.8 | 102.7 | 0 | 0 | 0 | 0 | 112.1 | C207 C230 | S194-C207 PolarHBondContact N-O 3.48Å; S194-C207 PolarHBondContact O-N 3.4Å; S194-C207 PolarHBondContact O-SG 3.08Å; S194-C207 PolarHBondContact OG-SG 2.85Å; S194-C230 PolarHBondContact OG-SG 3.07Å |
| 195 | L | 89.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 131 | -176.7 | 174 | 159.7 | 0 | 0 | 0 | 108.5 | L151 K153 F162 V171 F197 L204 V205 T206 | L151-L195 HydrophobicContact CD2-CB 3.8Å; L151-L195 HydrophobicContact CD2-CD1 4.42Å; K153-L195 HydrophobicContact CB-CD2 4.11Å; K153-L195 HydrophobicContact CG-CD2 4.08Å; F162-L195 HydrophobicContact CB-CD1 3.61Å; F162-L195 HydrophobicContact CB-CD2 4.48Å; F162-L195 HydrophobicContact CD1-CD1 3.95Å; F162-L195 HydrophobicContact CD2-CD2 4.47Å; F162-L195 HydrophobicContact CG-CD1 3.8Å; F162-L195 HydrophobicContact CG-CD2 4.45Å; V171-L195 HydrophobicContact CG1-CD1 3.81Å; V171-L195 HydrophobicContact CG2-CD1 4.49Å; L195-F197 HydrophobicContact CD2-CE2 3.84Å; L195-F197 HydrophobicContact CD2-CZ 3.81Å; L195-L204 HydrophobicContact CD1-CD1 4.07Å; L195-L204 HydrophobicContact CD1-CD2 4.13Å; L195-L204 HydrophobicContact CD2-CD1 3.34Å; L195-L204 HydrophobicContact CG-CD1 3.46Å; L195-L204 VanDerWaalsContact CG-CD1 3.46Å; L195-L204 HydrophobicContact CG-CD2 4.41Å; L195-L204 HydrophobicContact CG-CG 4.26Å; L195-V205 WeakPolarHBondContact CA-O 3.45Å; L195-T206 HydrophobicContact CD1-CG2 4.04Å; L195-T206 HydrophobicContact CG-CG2 4.28Å |
| 196 | D | 87.7 | Confident | 84.8 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 159.7 | -178.9 | -164 | 24.8 | 0 | 0 | 0 | 112.4 | L204 V205 F232 | D196-L204 VanDerWaalsContact O-CD1 3.23Å; D196-L204 WeakPolarHBondContact O-CD1 3.47Å; D196-V205 PolarHBondContact N-O 2.9Å; D196-V205 PolarHBondContact O-N 3.36Å; D196-F232 PolarHBondContact OD2-N 2.96Å |
| 197 | F | 87.2 | Confident | 84.5 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145 | -174.8 | -58.6 | -87.2 | 0 | 0 | 0 | 111.5 | K153 F154 H155 P156 F162 L195 L204 F232 | K153-F197 HydrophobicContact CG-CE2 4.11Å; F154-F197 WeakPolarHBondContact O-CE2 3.41Å; H155-F197 HydrophobicContact CB-CZ 4.29Å; H155-F197 AromaticContact CD2-CD1 3.95Å; H155-F197 AromaticContact CD2-CE1 3.41Å; H155-F197 VanDerWaalsContact CD2-CE1 3.41Å; H155-F197 WeakPolarHBondContact CD2-CE1 3.27Å; P156-F197 HydrophobicContact CG-CB 4.4Å; P156-F197 HydrophobicContact CG-CD2 4.24Å; P156-F197 HydrophobicContact CG-CG 4.13Å; F162-F197 HydrophobicContact CD2-CE1 4.36Å; F162-F197 AromaticContact CD2-CZ 3.74Å; F162-F197 HydrophobicContact CD2-CZ 3.74Å; F162-F197 AromaticContact CE2-CE1 3.65Å; F162-F197 HydrophobicContact CE2-CE1 3.65Å; F162-F197 AromaticContact CE2-CZ 3.43Å; F162-F197 HydrophobicContact CE2-CZ 3.43Å; F162-F197 VanDerWaalsContact CE2-CZ 3.43Å; F162-F197 HydrophobicContact CZ-CE1 4.09Å; F162-F197 HydrophobicContact CZ-CZ 4.28Å; L195-F197 HydrophobicContact CD2-CE2 3.84Å; L195-F197 HydrophobicContact CD2-CZ 3.81Å; F197-L204 HydrophobicContact CD1-CB 4.28Å; F197-L204 HydrophobicContact CD1-CD1 3.57Å; F197-L204 HydrophobicContact CE1-CB 4.37Å; F197-L204 HydrophobicContact CE1-CD1 3.35Å; F197-L204 HydrophobicContact CE1-CG 4.28Å; F197-L204 HydrophobicContact CE2-CD1 4.36Å; F197-L204 HydrophobicContact CG-CD1 4.14Å; F197-L204 HydrophobicContact CZ-CD1 3.79Å; F197-F232 WeakPolarHBondContact O-CD2 3.23Å |
| 198 | N | 81.3 | Confident | 84.5 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | trans | -63.2 | 153.8 | 170.1 | -169.4 | -14.5 | 0 | 0 | 0 | 110 | A200 K201 E203 F232 | N198-A200 PolarHBondContact O-N 3.02Å; N198-K201 VanDerWaalsContact O-CA 3.3Å; N198-K201 WeakPolarHBondContact O-CA 3.32Å; N198-K201 PolarHBondContact O-N 2.85Å; N198-E203 HydrophobicContact CB-CB 3.96Å; N198-E203 PolarHBondContact N-O 3.14Å; N198-E203 PolarHBondContact ND2-OE2 2.83Å; N198-F232 HydrophobicContact CB-CD1 4.02Å; N198-F232 HydrophobicContact CB-CD2 4.37Å; N198-F232 HydrophobicContact CB-CE1 3.66Å; N198-F232 HydrophobicContact CB-CE2 4.03Å; N198-F232 HydrophobicContact CB-CG 4.34Å; N198-F232 HydrophobicContact CB-CZ 3.66Å | ||
| 199 | V | 70.8 | Confident | 84.2 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 53% | 0.527 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -40.6 | 175.6 | -178 | 0 | 0 | 0 | 0 | 111.8 | K201 | V199-K201 PolarHBondContact O-N 3.2Š|
| 200 | A | 71.7 | Confident | 84 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -7.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N198 K202 | N198-A200 PolarHBondContact O-N 3.02Å; A200-K202 PolarHBondContact O-N 2.96Å |
| 201 | K | 76.2 | Confident | 83.5 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 56.8 | 17.5 | 180 | -54.2 | 171.4 | -178.4 | 177.5 | 0 | 114.7 | P156 T157 N198 V199 | P156-K201 HydrophobicContact CB-CD 4.06Å; P156-K201 HydrophobicContact CG-CB 4.35Å; P156-K201 HydrophobicContact CG-CD 3.75Å; P156-K201 HydrophobicContact CG-CG 3.84Å; T157-K201 HydrophobicContact CG2-CD 3.7Å; N198-K201 VanDerWaalsContact O-CA 3.3Å; N198-K201 WeakPolarHBondContact O-CA 3.32Å; N198-K201 PolarHBondContact O-N 2.85Å; V199-K201 PolarHBondContact O-N 3.2Å |
| 202 | K | 79.1 | Confident | 83.2 | Confident | 148 Ų | 148 | 48 Ų | 48 | 64% | 0.643 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -90.8 | -23.6 | 176.3 | -70.9 | -176.5 | 179.3 | -179.9 | 0 | 112.8 | A200 S218 | A200-K202 PolarHBondContact O-N 2.96Å; K202-S218 WeakPolarHBondContact O-CB 3.39Å; K202-S218 PolarHBondContact O-N 2.82Å |
| 203 | E | 85.2 | Confident | 82.7 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145 | -176.9 | -66.5 | 171.4 | 166.4 | 0 | 0 | 109.4 | N198 V215 W216 Q224 | N198-E203 HydrophobicContact CB-CB 3.96Å; N198-E203 PolarHBondContact N-O 3.14Å; N198-E203 PolarHBondContact ND2-OE2 2.83Å; E203-V215 HydrophobicContact CB-CG1 4.21Å; E203-V215 HydrophobicContact CG-CG1 4.37Å; E203-W216 VanDerWaalsContact CA-O 3.32Å; E203-W216 WeakPolarHBondContact CA-O 3.48Å; E203-Q224 PolarHBondContact OE1-OE1 2.96Å |
| 204 | L | 87.7 | Confident | 82.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.3 | 177.4 | 170.5 | 68.7 | 0 | 0 | 0 | 108.1 | F162 L185 L195 D196 F197 V215 W216 | F162-L204 HydrophobicContact CD1-CD2 3.98Å; F162-L204 HydrophobicContact CE1-CD2 3.47Å; F162-L204 VanDerWaalsContact CE1-CD2 3.47Å; F162-L204 HydrophobicContact CZ-CD2 3.83Å; L185-L204 HydrophobicContact CD1-CD2 3.57Å; L195-L204 HydrophobicContact CD1-CD1 4.07Å; L195-L204 HydrophobicContact CD1-CD2 4.13Å; L195-L204 HydrophobicContact CD2-CD1 3.34Å; L195-L204 HydrophobicContact CG-CD1 3.46Å; L195-L204 VanDerWaalsContact CG-CD1 3.46Å; L195-L204 HydrophobicContact CG-CD2 4.41Å; L195-L204 HydrophobicContact CG-CG 4.26Å; D196-L204 VanDerWaalsContact O-CD1 3.23Å; D196-L204 WeakPolarHBondContact O-CD1 3.47Å; F197-L204 HydrophobicContact CD1-CB 4.28Å; F197-L204 HydrophobicContact CD1-CD1 3.57Å; F197-L204 HydrophobicContact CE1-CB 4.37Å; F197-L204 HydrophobicContact CE1-CD1 3.35Å; F197-L204 HydrophobicContact CE1-CG 4.28Å; F197-L204 HydrophobicContact CE2-CD1 4.36Å; F197-L204 HydrophobicContact CG-CD1 4.14Å; F197-L204 HydrophobicContact CZ-CD1 3.79Å; L204-V215 CarbonylContact O-C 3.55Å; L204-V215 WeakPolarHBondContact O-CA 3.35Å; L204-W216 HydrophobicContact CB-CB 4.26Å; L204-W216 PolarHBondContact N-O 2.91Å; L204-W216 PolarHBondContact O-N 2.77Å |
| 205 | V | 87.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.4 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | L195 D196 L213 I214 V215 C230 F232 L254 | L195-V205 WeakPolarHBondContact CA-O 3.45Å; D196-V205 PolarHBondContact N-O 2.9Å; D196-V205 PolarHBondContact O-N 3.36Å; V205-L213 HydrophobicContact CG1-CD2 3.25Å; V205-L213 HydrophobicContact CG1-CG 4.29Å; V205-I214 WeakPolarHBondContact CA-O 3.23Å; V205-V215 HydrophobicContact CG2-CB 4.28Å; V205-V215 HydrophobicContact CG2-CG1 4.32Å; V205-V215 HydrophobicContact CG2-CG2 3.82Å; V205-C230 HydrophobicContact CG1-CB 4.33Å; V205-F232 HydrophobicContact CB-CD2 4.34Å; V205-F232 HydrophobicContact CB-CE2 3.51Å; V205-F232 HydrophobicContact CB-CZ 4.07Å; V205-F232 HydrophobicContact CG2-CD2 4.34Å; V205-F232 HydrophobicContact CG2-CE1 4.34Å; V205-F232 HydrophobicContact CG2-CE2 3.22Å; V205-F232 HydrophobicContact CG2-CZ 3.23Å; V205-L254 HydrophobicContact CB-CD1 4.4Å; V205-L254 HydrophobicContact CG1-CD1 4.2Å; V205-L254 HydrophobicContact CG2-CD1 4.29Å |
| 206 | T | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.7 | 172.4 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | V171 L185 H188 L195 L213 I214 W216 | V171-T206 HydrophobicContact CG2-CG2 4.05Å; L185-T206 HydrophobicContact CD1-CG2 4.24Å; H188-T206 WeakPolarHBondContact NE2-CB 3.33Å; H188-T206 PolarHBondContact NE2-O 3.43Å; H188-T206 PolarHBondContact NE2-OG1 3.13Å; L195-T206 HydrophobicContact CD1-CG2 4.04Å; L195-T206 HydrophobicContact CG-CG2 4.28Å; T206-L213 CarbonylContact O-C 3.58Å; T206-L213 VanDerWaalsContact O-CA 3.26Å; T206-L213 WeakPolarHBondContact O-CA 2.88Å; T206-I214 PolarHBondContact N-O 3.26Å; T206-I214 PolarHBondContact O-N 3.47Å; T206-W216 PolarHBondContact OG1-NE1 3.46Å |
| 207 | C | 84.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.4 | 171.4 | 48.2 | 0 | 0 | 0 | 0 | 112 | V192 T193 S194 V212 L213 C230 | V192-C207 CarbonylContact C-O 3.47Å; V192-C207 WeakPolarHBondContact CA-O 3.44Å; V192-C207 VanDerWaalsContact CG1-O 3.23Å; V192-C207 WeakPolarHBondContact CG1-O 3.43Å; T193-C207 PolarHBondContact N-O 3.32Å; T193-C207 PolarHBondContact OG1-O 3.02Å; S194-C207 PolarHBondContact N-O 3.48Å; S194-C207 PolarHBondContact O-N 3.4Å; S194-C207 PolarHBondContact O-SG 3.08Å; S194-C207 PolarHBondContact OG-SG 2.85Å; C207-V212 WeakPolarHBondContact CA-O 3.39Å; C207-L213 HydrophobicContact CB-CD2 4Å; C207-C230 HydrophobicContact CB-CB 3.41Å; C207-C230 VanDerWaalsContact CB-CB 3.41Å; C207-C230 WeakPolarHBondContact CB-SG 3.48Å; C207-C230 WeakPolarHBondContact SG-CB 3.31Å; C207-C230 CovalentContact SG-SG 2.03Å; C207-C230 PolarHBondContact SG-SG 3.33Å |
| 208 | G | 84.2 | Confident | 82.5 | Confident | 8 Ų | 8 | 41 Ų | 41 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 169.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H188 I191 D210 K211 V212 | H188-G208 PolarHBondContact CE1-N 2.85Å; I191-G208 WeakPolarHBondContact O-CA 3.41Å; G208-D210 VanDerWaalsContact C-OD1 3.29Å; G208-D210 VanDerWaalsContact CA-OD1 3.28Å; G208-D210 WeakPolarHBondContact CA-OD1 3.28Å; G208-D210 PolarHBondContact O-N 3.29Å; G208-K211 PolarHBondContact O-N 3.46Å; G208-V212 PolarHBondContact N-O 3.22Å |
| 209 | R | 82.3 | Confident | 82.5 | Confident | 185 Ų | 185 | 44.8 Ų | 44.8 | 70% | 0.698 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.6 | 170.7 | -70 | -166.8 | 171.7 | 169.4 | -2.3 | 113.5 | S190 I191 T193 K211 | S190-R209 WeakPolarHBondContact OG-CA 3.34Å; S190-R209 PolarHBondContact OG-N 2.87Å; S190-R209 VanDerWaalsContact OG-N 3.13Å; I191-R209 PolarHBondContact O-N 2.93Å; I191-R209 VanDerWaalsContact O-N 3.09Å; T193-R209 HydrophobicContact CG2-CG 3.46Å; T193-R209 VanDerWaalsContact CG2-CG 3.46Å; R209-K211 PolarHBondContact O-N 2.8Å |
| 210 | D | 82.1 | Confident | 83 | Confident | 36 Ų | 36 | 46 Ų | 46 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.8 | 173.9 | 57.5 | -1.9 | 0 | 0 | 0 | 112.3 | H188 Q189 S190 G208 V212 | H188-D210 WeakPolarHBondContact CA-OD2 3.2Å; H188-D210 WeakPolarHBondContact CB-OD2 3.37Å; H188-D210 IonicContact CG-OD2 3.86Å; H188-D210 IonicContact ND1-OD1 2.88Å; H188-D210 PolarHBondContact ND1-OD1 3.23Å; H188-D210 IonicContact ND1-OD2 3.58Å; H188-D210 PolarHBondContact ND1-OD2 3.46Å; Q189-D210 HydrophobicContact CB-CB 4.3Å; Q189-D210 PolarHBondContact N-OD2 2.88Å; S190-D210 WeakPolarHBondContact OG-CB 3.35Å; S190-D210 PolarHBondContact OG-N 2.8Å; G208-D210 VanDerWaalsContact C-OD1 3.29Å; G208-D210 VanDerWaalsContact CA-OD1 3.28Å; G208-D210 WeakPolarHBondContact CA-OD1 3.28Å; G208-D210 PolarHBondContact O-N 3.29Å; D210-V212 HydrophobicContact CB-CG2 4.4Å; D210-V212 PolarHBondContact O-N 3.42Å; D210-V212 PolarHBondContact OD1-N 2.9Å |
| 211 | K | 77.8 | Confident | 83.6 | Confident | 128 Ų | 128 | 44 Ų | 44 | 56% | 0.557 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 68.1 | 16.4 | -178.1 | -50.8 | 173.8 | -176.7 | 171.1 | 0 | 113.1 | G208 R209 E228 A229 | G208-K211 PolarHBondContact O-N 3.46Å; R209-K211 PolarHBondContact O-N 2.8Å; K211-E228 VanDerWaalsContact O-CA 3.3Å; K211-E228 WeakPolarHBondContact O-CA 3.25Å; K211-E228 VanDerWaalsContact O-CB 3.24Å; K211-E228 WeakPolarHBondContact O-CB 3.18Å; K211-E228 WeakPolarHBondContact O-CG 3.35Å; K211-A229 PolarHBondContact O-N 3.45Å |
| 212 | V | 81.8 | Confident | 84 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | trans | -101.1 | 144.2 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | H188 C207 G208 D210 I214 L227 | H188-V212 PolarHBondContact CE1-O 2.81Å; C207-V212 WeakPolarHBondContact CA-O 3.39Å; G208-V212 PolarHBondContact N-O 3.22Å; D210-V212 HydrophobicContact CB-CG2 4.4Å; D210-V212 PolarHBondContact O-N 3.42Å; D210-V212 PolarHBondContact OD1-N 2.9Å; V212-I214 HydrophobicContact CG1-CG1 4.15Å; V212-L227 CarbonylContact C-O 3.47Å; V212-L227 WeakPolarHBondContact CA-O 3.5Å; V212-L227 WeakPolarHBondContact CG1-O 3.44Å | ||
| 213 | L | 80.2 | Confident | 84 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 149.9 | 159.5 | -74.9 | 166.9 | 0 | 0 | 0 | 110.4 | V205 T206 C207 S226 L227 E228 A229 C230 L254 | V205-L213 HydrophobicContact CG1-CD2 3.25Å; V205-L213 HydrophobicContact CG1-CG 4.29Å; T206-L213 CarbonylContact O-C 3.58Å; T206-L213 VanDerWaalsContact O-CA 3.26Å; T206-L213 WeakPolarHBondContact O-CA 2.88Å; C207-L213 HydrophobicContact CB-CD2 4Å; L213-S226 CarbonylContact O-C 3.57Å; L213-S226 WeakPolarHBondContact O-CA 3.39Å; L213-L227 HydrophobicContact CB-CB 3.8Å; L213-L227 HydrophobicContact CD1-CB 3.48Å; L213-L227 VanDerWaalsContact CD1-CB 3.48Å; L213-L227 HydrophobicContact CD1-CD1 4.45Å; L213-L227 HydrophobicContact CG-CB 4.3Å; L213-L227 PolarHBondContact N-O 3.06Å; L213-L227 PolarHBondContact O-N 3.28Å; L213-E228 WeakPolarHBondContact CD1-O 3.24Å; L213-E228 VanDerWaalsContact CG-C 3.42Å; L213-A229 WeakPolarHBondContact CD1-O 3.42Å; L213-A229 WeakPolarHBondContact CD2-O 3.48Å; L213-A229 VanDerWaalsContact CG-N 3.33Å; L213-A229 WeakPolarHBondContact CG-O 3.44Å; L213-C230 VanDerWaalsContact CD2-CA 3.49Å; L213-C230 HydrophobicContact CD2-CB 3.52Å; L213-L254 HydrophobicContact CD1-CD2 3.29Å; L213-L254 HydrophobicContact CD2-CD2 4.19Å; L213-L254 HydrophobicContact CG-CD2 4.25Å |
| 214 | I | 85.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.6 | 162.9 | -53.2 | 176.7 | 0 | 0 | 0 | 108.8 | G187 V205 T206 V212 W216 K223 K225 | G187-I214 VanDerWaalsContact C-CD1 3.42Å; V205-I214 WeakPolarHBondContact CA-O 3.23Å; T206-I214 PolarHBondContact N-O 3.26Å; T206-I214 PolarHBondContact O-N 3.47Å; V212-I214 HydrophobicContact CG1-CG1 4.15Å; I214-W216 HydrophobicContact CB-CZ2 3.88Å; I214-W216 HydrophobicContact CD1-CZ2 3.91Å; I214-W216 HydrophobicContact CG2-CD2 3.92Å; I214-W216 HydrophobicContact CG2-CG 4.4Å; I214-W216 HydrophobicContact CG2-CH2 4.13Å; I214-W216 HydrophobicContact CG2-CZ2 3.44Å; I214-W216 VanDerWaalsContact CG2-CZ2 3.44Å; I214-W216 PolarHBondContact O-NE1 2.94Å; I214-K223 HydrophobicContact CG2-CB 4.46Å; I214-K223 HydrophobicContact CG2-CD 3.93Å; I214-K223 HydrophobicContact CG2-CG 3.67Å; I214-K225 WeakPolarHBondContact CA-O 3.44Å |
| 215 | V | 87.2 | Confident | 83 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.5 | 170.4 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | E203 L204 V205 Q224 K225 L227 V268 | E203-V215 HydrophobicContact CB-CG1 4.21Å; E203-V215 HydrophobicContact CG-CG1 4.37Å; L204-V215 CarbonylContact O-C 3.55Å; L204-V215 WeakPolarHBondContact O-CA 3.35Å; V205-V215 HydrophobicContact CG2-CB 4.28Å; V205-V215 HydrophobicContact CG2-CG1 4.32Å; V205-V215 HydrophobicContact CG2-CG2 3.82Å; V215-Q224 PolarHBondContact O-N 3.49Å; V215-K225 HydrophobicContact CB-CB 4.39Å; V215-K225 HydrophobicContact CG2-CB 4.42Å; V215-K225 PolarHBondContact N-O 2.86Å; V215-K225 PolarHBondContact O-N 3.44Å; V215-L227 HydrophobicContact CG2-CD1 4.08Å; V215-V268 HydrophobicContact CG1-CG1 4.48Å; V215-V268 HydrophobicContact CG2-CG1 4.08Å |
| 216 | W | 89.1 | Confident | 82 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.3 | -178.4 | -53.1 | 87.7 | 0 | 0 | 0 | 110.1 | L185 E186 E203 L204 T206 I214 S218 T222 K223 | L185-W216 HydrophobicContact CB-CD2 4.18Å; L185-W216 HydrophobicContact CB-CE3 4.26Å; L185-W216 HydrophobicContact CB-CH2 3.82Å; L185-W216 HydrophobicContact CB-CZ2 3.71Å; L185-W216 HydrophobicContact CB-CZ3 4.08Å; L185-W216 HydrophobicContact CD1-CD2 4.22Å; L185-W216 HydrophobicContact CD1-CG 4.21Å; L185-W216 HydrophobicContact CD2-CD2 3.92Å; L185-W216 HydrophobicContact CD2-CE3 3.68Å; L185-W216 HydrophobicContact CD2-CG 4.38Å; L185-W216 HydrophobicContact CD2-CZ3 4.07Å; L185-W216 HydrophobicContact CG-CD2 4.33Å; L185-W216 HydrophobicContact CG-CE3 4.44Å; E186-W216 WeakPolarHBondContact O-CH2 3.38Å; E203-W216 VanDerWaalsContact CA-O 3.32Å; E203-W216 WeakPolarHBondContact CA-O 3.48Å; L204-W216 HydrophobicContact CB-CB 4.26Å; L204-W216 PolarHBondContact N-O 2.91Å; L204-W216 PolarHBondContact O-N 2.77Å; T206-W216 PolarHBondContact OG1-NE1 3.46Å; I214-W216 HydrophobicContact CB-CZ2 3.88Å; I214-W216 HydrophobicContact CD1-CZ2 3.91Å; I214-W216 HydrophobicContact CG2-CD2 3.92Å; I214-W216 HydrophobicContact CG2-CG 4.4Å; I214-W216 HydrophobicContact CG2-CH2 4.13Å; I214-W216 HydrophobicContact CG2-CZ2 3.44Å; I214-W216 VanDerWaalsContact CG2-CZ2 3.44Å; I214-W216 PolarHBondContact O-NE1 2.94Å; W216-S218 PolarHBondContact O-N 2.81Å; W216-T222 WeakPolarHBondContact CA-O 3.49Å; W216-K223 HydrophobicContact CE3-CB 3.95Å; W216-K223 HydrophobicContact CH2-CB 4.26Å; W216-K223 HydrophobicContact CZ3-CB 3.69Å |
| 217 | S | 87 | Confident | 80.7 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.9 | 163 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | V219 D220 F221 T222 | S217-V219 PolarHBondContact O-N 2.68Å; S217-V219 PolarHBondContact OG-N 3.07Å; S217-D220 PolarHBondContact OG-N 3.29Å; S217-F221 WeakPolarHBondContact O-CA 3.39Å; S217-F221 PolarHBondContact O-N 3.23Å; S217-T222 PolarHBondContact N-O 2.99Å |
| 218 | S | 83.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.6 | 178 | -164.5 | 0 | 0 | 0 | 0 | 113.2 | H155 K202 W216 | H155-S218 PolarHBondContact CD2-OG 3.38Å; H155-S218 PolarHBondContact NE2-OG 2.65Å; K202-S218 WeakPolarHBondContact O-CB 3.39Å; K202-S218 PolarHBondContact O-N 2.82Å; W216-S218 PolarHBondContact O-N 2.81Å |
| 219 | V | 80.5 | Confident | 77 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 61% | 0.606 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -49.3 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | S217 | S217-V219 PolarHBondContact O-N 2.68Å; S217-V219 PolarHBondContact OG-N 3.07Å |
| 220 | D | 80.4 | Confident | 75.5 | Confident | 113 Ų | 113 | 50.3 Ų | 50.3 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -7.6 | -174.5 | -56.7 | -40 | 0 | 0 | 0 | 113 | S217 T222 | S217-D220 PolarHBondContact OG-N 3.29Å; D220-T222 HydrophobicContact CB-CG2 3.88Å; D220-T222 PolarHBondContact O-N 3.36Å; D220-T222 VanDerWaalsContact O-N 3.07Å |
| 221 | F | 86 | Confident | 74.4 | Confident | 23 Ų | 23 | 49 Ų | 49 | 10% | 0.101 | 26% | 0.259 | C | S | . | . | trans | 55 | 23.4 | -173.6 | -56.8 | -62.5 | 0 | 0 | 0 | 113.9 | Y160 F162 V173 V182 S183 L185 S217 | Y160-F221 HydrophobicContact CD2-CE2 4.47Å; Y160-F221 AromaticContact CD2-CZ 3.7Å; Y160-F221 HydrophobicContact CD2-CZ 3.7Å; Y160-F221 HydrophobicContact CE2-CE2 4.16Å; Y160-F221 AromaticContact CE2-CZ 3.77Å; Y160-F221 HydrophobicContact CE2-CZ 3.77Å; Y160-F221 HydrophobicContact CG-CZ 4.22Å; F162-F221 HydrophobicContact CE1-CD1 4.36Å; F162-F221 AromaticContact CE1-CE1 3.9Å; F162-F221 HydrophobicContact CE1-CE1 3.9Å; F162-F221 AromaticContact CZ-CE1 3.81Å; F162-F221 HydrophobicContact CZ-CE1 3.81Å; V173-F221 HydrophobicContact CG1-CE1 4Å; V173-F221 HydrophobicContact CG1-CE2 4.16Å; V173-F221 HydrophobicContact CG1-CZ 3.74Å; V173-F221 HydrophobicContact CG2-CD1 4.2Å; V173-F221 HydrophobicContact CG2-CE1 4.31Å; V182-F221 HydrophobicContact CG1-CE2 4.15Å; S183-F221 VanDerWaalsContact OG-CD2 3.29Å; S183-F221 WeakPolarHBondContact OG-CD2 3.32Å; S183-F221 WeakPolarHBondContact OG-CG 3.33Å; L185-F221 HydrophobicContact CD2-CB 3.77Å; L185-F221 HydrophobicContact CD2-CD1 4.17Å; L185-F221 HydrophobicContact CD2-CG 4.35Å; S217-F221 WeakPolarHBondContact O-CA 3.39Å; S217-F221 PolarHBondContact O-N 3.23Å | ||
| 222 | T | 82.7 | Confident | 73.1 | Confident | 76 Ų | 76 | 43.3 Ų | 43.3 | 47% | 0.466 | 23% | 0.234 | S | C | . | . | trans | -83.2 | 139 | 177.7 | 53 | 0 | 0 | 0 | 0 | 110.8 | W216 S217 D220 Q224 | W216-T222 WeakPolarHBondContact CA-O 3.49Å; S217-T222 PolarHBondContact N-O 2.99Å; D220-T222 HydrophobicContact CB-CG2 3.88Å; D220-T222 PolarHBondContact O-N 3.36Å; D220-T222 VanDerWaalsContact O-N 3.07Å; T222-Q224 PolarHBondContact O-N 2.7Å | ||
| 223 | K | 80.8 | Confident | 71.6 | Confident | 103 Ų | 103 | 41.6 Ų | 41.6 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 119.5 | 172.7 | 177.1 | 170.8 | 179.2 | -179.8 | 0 | 109.3 | I214 W216 | I214-K223 HydrophobicContact CG2-CB 4.46Å; I214-K223 HydrophobicContact CG2-CD 3.93Å; I214-K223 HydrophobicContact CG2-CG 3.67Å; W216-K223 HydrophobicContact CE3-CB 3.95Å; W216-K223 HydrophobicContact CH2-CB 4.26Å; W216-K223 HydrophobicContact CZ3-CB 3.69Å |
| 224 | Q | 76.9 | Confident | 70.1 | Confident | 88 Ų | 88 | 42.4 Ų | 42.4 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -54.2 | 177 | -69 | -179.4 | -18.4 | 0 | 0 | 111.5 | E203 V215 T222 | E203-Q224 PolarHBondContact OE1-OE1 2.96Å; V215-Q224 PolarHBondContact O-N 3.49Å; T222-Q224 PolarHBondContact O-N 2.7Å |
| 225 | K | 73.4 | Confident | 68.2 | Low | 81 Ų | 81 | 45.7 Ų | 45.7 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.2 | -177.1 | -62.1 | -176.9 | -170.7 | 171.3 | 0 | 110.4 | I214 V215 V268 D269 | I214-K225 WeakPolarHBondContact CA-O 3.44Å; V215-K225 HydrophobicContact CB-CB 4.39Å; V215-K225 HydrophobicContact CG2-CB 4.42Å; V215-K225 PolarHBondContact N-O 2.86Å; V215-K225 PolarHBondContact O-N 3.44Å; K225-V268 PolarHBondContact NZ-O 2.55Å; K225-D269 PolarHBondContact NZ-O 3.28Å |
| 226 | S | 68.4 | Low | 66.3 | Low | 68 Ų | 68 | 46 Ų | 46 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.3 | 164.1 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | L213 | L213-S226 CarbonylContact O-C 3.57Å; L213-S226 WeakPolarHBondContact O-CA 3.39Å |
| 227 | L | 59.5 | Low | 64.8 | Low | 25 Ų | 25 | 45.8 Ų | 45.8 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -161.7 | -178.9 | -60.2 | 175.8 | 0 | 0 | 0 | 108.1 | V212 L213 V215 | V212-L227 CarbonylContact C-O 3.47Å; V212-L227 WeakPolarHBondContact CA-O 3.5Å; V212-L227 WeakPolarHBondContact CG1-O 3.44Å; L213-L227 HydrophobicContact CB-CB 3.8Å; L213-L227 HydrophobicContact CD1-CB 3.48Å; L213-L227 VanDerWaalsContact CD1-CB 3.48Å; L213-L227 HydrophobicContact CD1-CD1 4.45Å; L213-L227 HydrophobicContact CG-CB 4.3Å; L213-L227 PolarHBondContact N-O 3.06Å; L213-L227 PolarHBondContact O-N 3.28Å; V215-L227 HydrophobicContact CG2-CD1 4.08Å |
| 228 | E | 45.4 | Very low | 63.3 | Low | 107 Ų | 107 | 45.3 Ų | 45.3 | 50% | 0.5 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -126.6 | 130.2 | 176 | -66.3 | -174.3 | 167.9 | 0 | 0 | 112.6 | K211 L213 W266 | K211-E228 VanDerWaalsContact O-CA 3.3Å; K211-E228 WeakPolarHBondContact O-CA 3.25Å; K211-E228 VanDerWaalsContact O-CB 3.24Å; K211-E228 WeakPolarHBondContact O-CB 3.18Å; K211-E228 WeakPolarHBondContact O-CG 3.35Å; L213-E228 WeakPolarHBondContact CD1-O 3.24Å; L213-E228 VanDerWaalsContact CG-C 3.42Å; E228-W266 HydrophobicContact CB-CH2 3.82Å; E228-W266 HydrophobicContact CB-CZ2 4.22Å; E228-W266 HydrophobicContact CB-CZ3 4.42Å; E228-W266 WeakPolarHBondContact O-CZ2 3.11Å |
| 229 | A | 46.4 | Very low | 61.6 | Low | 31 Ų | 31 | 47.4 Ų | 47.4 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 50.7 | 157.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | K211 L213 T256 | K211-A229 PolarHBondContact O-N 3.45Å; L213-A229 WeakPolarHBondContact CD1-O 3.42Å; L213-A229 WeakPolarHBondContact CD2-O 3.48Å; L213-A229 VanDerWaalsContact CG-N 3.33Å; L213-A229 WeakPolarHBondContact CG-O 3.44Å; A229-T256 VanDerWaalsContact C-CB 3.47Å; A229-T256 HydrophobicContact CB-CG2 4.38Å; A229-T256 WeakPolarHBondContact O-CG2 3.44Å |
| 230 | C | 51.7 | Low | 60.2 | Low | 15 Ų | 15 | 47.5 Ų | 47.5 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | trans | -126.7 | 151.3 | -157.5 | 50 | 0 | 0 | 0 | 0 | 123.6 | S194 V205 C207 L213 L255 T256 | S194-C230 PolarHBondContact OG-SG 3.07Å; V205-C230 HydrophobicContact CG1-CB 4.33Å; C207-C230 HydrophobicContact CB-CB 3.41Å; C207-C230 VanDerWaalsContact CB-CB 3.41Å; C207-C230 WeakPolarHBondContact CB-SG 3.48Å; C207-C230 WeakPolarHBondContact SG-CB 3.31Å; C207-C230 CovalentContact SG-SG 2.03Å; C207-C230 PolarHBondContact SG-SG 3.33Å; L213-C230 VanDerWaalsContact CD2-CA 3.49Å; L213-C230 HydrophobicContact CD2-CB 3.52Å; C230-L255 CarbonylContact C-O 3.45Å; C230-T256 VanDerWaalsContact N-CB 3.27Å; C230-T256 VanDerWaalsContact N-CG2 3.29Å; C230-T256 VanDerWaalsContact O-CA 3.24Å; C230-T256 WeakPolarHBondContact O-CA 3.44Å | ||
| 231 | V | 57.2 | Low | 58.9 | Low | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | trans | 154.4 | 140.1 | 150.2 | 161.9 | 0 | 0 | 0 | 0 | 110.7 | L254 L255 L310 | V231-L254 CarbonylContact O-C 3.53Å; V231-L254 WeakPolarHBondContact O-CA 3.43Å; V231-L254 WeakPolarHBondContact O-CD1 2.88Å; V231-L254 WeakPolarHBondContact O-CG 3.26Å; V231-L255 CarbonylContact C-O 3.43Å; V231-L255 WeakPolarHBondContact CA-O 3.4Å; V231-L255 WeakPolarHBondContact CB-O 3.43Å; V231-L255 PolarHBondContact N-O 3.47Å; V231-L255 CarbonylContact O-C 3.57Å; V231-L255 PolarHBondContact O-N 3.4Å; V231-L310 HydrophobicContact CB-CD2 3.62Å; V231-L310 HydrophobicContact CB-CG 4.16Å; V231-L310 HydrophobicContact CG1-CD2 4.06Å; V231-L310 HydrophobicContact CG1-CG 4.16Å; V231-L310 HydrophobicContact CG2-CB 3.95Å; V231-L310 HydrophobicContact CG2-CD2 3.69Å; V231-L310 HydrophobicContact CG2-CG 3.93Å | ||
| 232 | F | 51.2 | Low | 57.4 | Low | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 145.7 | -178.5 | -81.4 | -83.1 | 0 | 0 | 0 | 115.1 | D196 F197 N198 V205 L254 V268 | D196-F232 PolarHBondContact OD2-N 2.96Å; F197-F232 WeakPolarHBondContact O-CD2 3.23Å; N198-F232 HydrophobicContact CB-CD1 4.02Å; N198-F232 HydrophobicContact CB-CD2 4.37Å; N198-F232 HydrophobicContact CB-CE1 3.66Å; N198-F232 HydrophobicContact CB-CE2 4.03Å; N198-F232 HydrophobicContact CB-CG 4.34Å; N198-F232 HydrophobicContact CB-CZ 3.66Å; V205-F232 HydrophobicContact CB-CD2 4.34Å; V205-F232 HydrophobicContact CB-CE2 3.51Å; V205-F232 HydrophobicContact CB-CZ 4.07Å; V205-F232 HydrophobicContact CG2-CD2 4.34Å; V205-F232 HydrophobicContact CG2-CE1 4.34Å; V205-F232 HydrophobicContact CG2-CE2 3.22Å; V205-F232 HydrophobicContact CG2-CZ 3.23Å; F232-L254 HydrophobicContact CB-CD1 4.43Å; F232-L254 HydrophobicContact CD1-CD1 3.86Å; F232-L254 HydrophobicContact CD2-CD1 3.82Å; F232-L254 HydrophobicContact CE1-CD1 4.08Å; F232-L254 HydrophobicContact CE2-CD1 4.05Å; F232-L254 HydrophobicContact CG-CD1 3.74Å; F232-L254 HydrophobicContact CZ-CD1 4.18Å; F232-V268 HydrophobicContact CE1-CG2 3.97Å |
| 233 | L | 49.7 | Very low | 56 | Low | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | trans | -107.2 | 153.3 | 172.8 | -74.7 | 171.8 | 0 | 0 | 0 | 112.6 | A237 L238 L253 L255 P347 | L233-A237 HydrophobicContact CB-CB 3.65Å; L233-A237 HydrophobicContact CD1-CB 3.77Å; L233-A237 HydrophobicContact CD2-CB 4.07Å; L233-A237 HydrophobicContact CG-CB 4.03Å; L233-L238 HydrophobicContact CD1-CD1 3.81Å; L233-L238 HydrophobicContact CD1-CG 4.19Å; L233-L253 HydrophobicContact CB-CB 4.02Å; L233-L253 HydrophobicContact CD1-CB 4.1Å; L233-L253 PolarHBondContact N-O 3.49Å; L233-L255 HydrophobicContact CD1-CB 3.9Å; L233-L255 HydrophobicContact CD1-CD1 4.28Å; L233-L255 HydrophobicContact CD2-CB 4.07Å; L233-L255 HydrophobicContact CD2-CD2 4.12Å; L233-L255 HydrophobicContact CG-CB 3.76Å; L233-P347 HydrophobicContact CD2-CB 4.34Å | ||
| 234 | P | 48.7 | Very low | 54.5 | Low | 17 Ų | 17 | 43.5 Ų | 43.5 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | trans | -61.1 | 151.4 | 167.7 | 27.1 | -33.5 | 0 | 0 | 0 | 111.7 | G236 A237 L331 P347 M348 | P234-G236 PolarHBondContact O-N 3.02Å; P234-A237 HydrophobicContact CG-CB 4.22Å; P234-A237 VanDerWaalsContact O-CB 3.31Å; P234-A237 WeakPolarHBondContact O-CB 3.35Å; P234-A237 PolarHBondContact O-N 3.05Å; P234-L331 HydrophobicContact CB-CD1 3.98Å; P234-L331 HydrophobicContact CG-CD1 4Å; P234-P347 HydrophobicContact CG-CB 4.19Å; P234-P347 HydrophobicContact CG-CG 4.39Å; P234-M348 HydrophobicContact CB-SD 4.15Å; P234-M348 HydrophobicContact CG-SD 3.73Å | ||
| 235 | V | 46.2 | Very low | 53.2 | Low | 70 Ų | 70 | 48.3 Ų | 48.3 | 42% | 0.424 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 124.3 | 173.8 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | N250 | V235-N250 HydrophobicContact CG1-CB 4.31Å; V235-N250 WeakPolarHBondContact CG1-OD1 3.5Å |
| 236 | G | 49 | Very low | 52 | Low | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 16 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P234 T239 M348 | P234-G236 PolarHBondContact O-N 3.02Å; G236-T239 WeakPolarHBondContact O-CG2 3.29Å; G236-M348 WeakPolarHBondContact O-CE 3.39Å |
| 237 | A | 55.9 | Low | 51 | Low | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | trans | -68.2 | 158.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L233 P234 T239 L253 P347 | L233-A237 HydrophobicContact CB-CB 3.65Å; L233-A237 HydrophobicContact CD1-CB 3.77Å; L233-A237 HydrophobicContact CD2-CB 4.07Å; L233-A237 HydrophobicContact CG-CB 4.03Å; P234-A237 HydrophobicContact CG-CB 4.22Å; P234-A237 VanDerWaalsContact O-CB 3.31Å; P234-A237 WeakPolarHBondContact O-CB 3.35Å; P234-A237 PolarHBondContact O-N 3.05Å; A237-T239 PolarHBondContact O-N 3.41Å; A237-L253 HydrophobicContact CB-CD1 4.49Å; A237-P347 WeakPolarHBondContact CA-O 3.05Å; A237-P347 WeakPolarHBondContact CB-O 3.49Å | ||
| 238 | L | 55.2 | Low | 50.6 | Low | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | trans | 57.8 | 39.6 | 175.7 | -60.9 | 170.6 | 0 | 0 | 0 | 115.5 | L233 N240 H241 L242 L255 C265 L275 L281 P347 M348 | L233-L238 HydrophobicContact CD1-CD1 3.81Å; L233-L238 HydrophobicContact CD1-CG 4.19Å; L238-N240 PolarHBondContact O-N 3.26Å; L238-N240 VanDerWaalsContact O-N 3.14Å; L238-H241 PolarHBondContact O-N 2.94Å; L238-L242 HydrophobicContact CB-CD1 4.05Å; L238-L242 HydrophobicContact CB-CG 4.29Å; L238-L242 PolarHBondContact O-N 3.45Å; L238-L255 HydrophobicContact CD1-CD1 4.34Å; L238-C265 HydrophobicContact CD1-CB 3.89Å; L238-L275 HydrophobicContact CD1-CD1 4.19Å; L238-L281 HydrophobicContact CD2-CD1 3.79Å; L238-L281 HydrophobicContact CD2-CD2 3.91Å; L238-L281 HydrophobicContact CD2-CG 4.16Å; L238-P347 PolarHBondContact N-O 2.97Å; L238-P347 VanDerWaalsContact N-O 3.14Å; L238-M348 PolarHBondContact N-O 2.85Å; L238-M348 VanDerWaalsContact N-O 3.1Å | ||
| 239 | T | 48.5 | Very low | 50.8 | Low | 46 Ų | 46 | 52.5 Ų | 52.5 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53 | -35.1 | 179.8 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | G236 A237 H241 G243 F247 M348 | G236-T239 WeakPolarHBondContact O-CG2 3.29Å; A237-T239 PolarHBondContact O-N 3.41Å; T239-H241 VanDerWaalsContact C-N 3.32Å; T239-H241 PolarHBondContact O-N 2.99Å; T239-G243 WeakPolarHBondContact O-CA 3.45Å; T239-G243 PolarHBondContact O-N 3.28Å; T239-G243 VanDerWaalsContact O-N 3.13Å; T239-F247 HydrophobicContact CG2-CD2 3.83Å; T239-F247 HydrophobicContact CG2-CE2 4.35Å; T239-M348 PolarHBondContact N-O 2.87Å; T239-M348 PolarHBondContact OG1-O 3.26Å |
| 240 | N | 50.6 | Low | 51.3 | Low | 102 Ų | 102 | 57.8 Ų | 57.8 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 176.6 | -76.8 | -4.5 | 0 | 0 | 0 | 113.7 | L238 V349 | L238-N240 PolarHBondContact O-N 3.26Å; L238-N240 VanDerWaalsContact O-N 3.14Å; N240-V349 VanDerWaalsContact CB-O 3.32Å; N240-V349 WeakPolarHBondContact CB-O 3.35Å; N240-V349 VanDerWaalsContact CG-O 3.23Å; N240-V349 VanDerWaalsContact ND2-CG1 3.27Å; N240-V349 WeakPolarHBondContact ND2-CG1 3.33Å; N240-V349 PolarHBondContact ND2-O 3.12Å; N240-V349 VanDerWaalsContact ND2-O 3.09Å |
| 241 | H | 53.2 | Low | 51.9 | Low | 42 Ų | 42 | 58 Ų | 58 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -100.6 | -33.3 | -173 | -68.2 | -79.1 | 0 | 0 | 0 | 113 | L238 T239 L275 L281 | L238-H241 PolarHBondContact O-N 2.94Å; T239-H241 VanDerWaalsContact C-N 3.32Å; T239-H241 PolarHBondContact O-N 2.99Å; H241-L275 HydrophobicContact CB-CD1 3.41Å; H241-L275 VanDerWaalsContact CB-CD1 3.41Å; H241-L275 HydrophobicContact CB-CD2 4.25Å; H241-L275 HydrophobicContact CB-CG 4.48Å; H241-L281 PolarHBondContact CE1-O 3.02Å; H241-L281 PolarHBondContact NE2-O 3.25Å |
| 242 | L | 54.7 | Low | 52.6 | Low | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -92.3 | -16.7 | -178.7 | -66.9 | 173 | 0 | 0 | 0 | 113.1 | L238 F246 L253 V274 L275 | L238-L242 HydrophobicContact CB-CD1 4.05Å; L238-L242 HydrophobicContact CB-CG 4.29Å; L238-L242 PolarHBondContact O-N 3.45Å; L242-F246 HydrophobicContact CB-CB 4.09Å; L242-F246 HydrophobicContact CB-CD2 3.97Å; L242-F246 HydrophobicContact CB-CG 4.25Å; L242-F246 HydrophobicContact CD2-CD2 4.33Å; L242-F246 HydrophobicContact CD2-CE2 4.44Å; L242-F246 WeakPolarHBondContact O-CD2 3.43Å; L242-L253 HydrophobicContact CD1-CD1 3.49Å; L242-L253 VanDerWaalsContact CD1-CD1 3.49Å; L242-L253 HydrophobicContact CD1-CD2 4.35Å; L242-V274 HydrophobicContact CD2-CB 4.07Å; L242-V274 HydrophobicContact CD2-CG1 3.25Å; L242-L275 HydrophobicContact CD1-CD1 4.32Å; L242-L275 HydrophobicContact CD2-CD1 3.38Å; L242-L275 HydrophobicContact CD2-CD2 4.22Å; L242-L275 HydrophobicContact CD2-CG 3.58Å; L242-L275 HydrophobicContact CG-CD1 3.52Å; L242-L275 HydrophobicContact CG-CG 4.28Å |
| 243 | G | 53 | Low | 53.8 | Low | 35 Ų | 35 | 58.2 Ų | 58.2 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | trans | 70.1 | 168.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T239 K245 F246 | T239-G243 WeakPolarHBondContact O-CA 3.45Å; T239-G243 PolarHBondContact O-N 3.28Å; T239-G243 VanDerWaalsContact O-N 3.13Å; G243-K245 PolarHBondContact O-N 3.05Å; G243-K245 VanDerWaalsContact O-N 3.09Å; G243-F246 PolarHBondContact O-N 2.79Å | ||
| 244 | H | 50 | Low | 55 | Low | 135 Ų | 135 | 58 Ų | 58 | 63% | 0.625 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.7 | -173.6 | -153.9 | -75.7 | 0 | 0 | 0 | 114 | F246 F247 | H244-F246 VanDerWaalsContact C-N 3.32Å; H244-F246 PolarHBondContact O-N 3.08Å; H244-F247 WeakPolarHBondContact O-CB 3.37Å; H244-F247 PolarHBondContact O-N 2.89Å |
| 245 | K | 48.4 | Very low | 56.5 | Low | 188 Ų | 188 | 57.3 Ų | 57.3 | 82% | 0.817 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -30.4 | 179.8 | -73.7 | -179 | 179.7 | 170.2 | 0 | 113.3 | G243 | G243-K245 PolarHBondContact O-N 3.05Å; G243-K245 VanDerWaalsContact O-N 3.09Å |
| 246 | F | 48.9 | Very low | 58 | Low | 73 Ų | 73 | 54.1 Ų | 54.1 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.6 | 176.5 | -81.2 | -85.7 | 0 | 0 | 0 | 113.3 | L242 G243 H244 E248 S249 V274 | L242-F246 HydrophobicContact CB-CB 4.09Å; L242-F246 HydrophobicContact CB-CD2 3.97Å; L242-F246 HydrophobicContact CB-CG 4.25Å; L242-F246 HydrophobicContact CD2-CD2 4.33Å; L242-F246 HydrophobicContact CD2-CE2 4.44Å; L242-F246 WeakPolarHBondContact O-CD2 3.43Å; G243-F246 PolarHBondContact O-N 2.79Å; H244-F246 VanDerWaalsContact C-N 3.32Å; H244-F246 PolarHBondContact O-N 3.08Å; F246-E248 VanDerWaalsContact C-N 3.29Å; F246-E248 PolarHBondContact O-N 3.2Å; F246-S249 PolarHBondContact O-N 2.88Å; F246-S249 PolarHBondContact O-OG 3.28Å; F246-V274 HydrophobicContact CE1-CG1 4.41Å; F246-V274 HydrophobicContact CE2-CG1 4.29Å; F246-V274 HydrophobicContact CZ-CG1 3.91Å |
| 247 | F | 48 | Very low | 59.4 | Low | 96 Ų | 96 | 54.9 Ų | 54.9 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -29.7 | 178 | -168 | -96.5 | 0 | 0 | 0 | 112.2 | T239 H244 M348 | T239-F247 HydrophobicContact CG2-CD2 3.83Å; T239-F247 HydrophobicContact CG2-CE2 4.35Å; H244-F247 WeakPolarHBondContact O-CB 3.37Å; H244-F247 PolarHBondContact O-N 2.89Å; F247-M348 HydrophobicContact CE2-CE 4.43Å |
| 248 | E | 50.5 | Low | 60.2 | Low | 159 Ų | 159 | 56.1 Ų | 56.1 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -81.8 | -25.9 | 178.2 | -69.6 | -178.8 | 174.1 | 0 | 0 | 113.1 | F246 N250 | F246-E248 VanDerWaalsContact C-N 3.29Å; F246-E248 PolarHBondContact O-N 3.2Å; E248-N250 PolarHBondContact O-N 3.29Å |
| 249 | S | 50.5 | Low | 60.8 | Low | 42 Ų | 42 | 61.5 Ų | 61.5 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -82.1 | 114.8 | 172 | 59.5 | 0 | 0 | 0 | 0 | 108.6 | F246 T251 | F246-S249 PolarHBondContact O-N 2.88Å; F246-S249 PolarHBondContact O-OG 3.28Å; S249-T251 PolarHBondContact O-N 2.82Å; S249-T251 PolarHBondContact O-OG1 3.41Å; S249-T251 PolarHBondContact OG-OG1 2.87Å |
| 250 | N | 56.3 | Low | 61.6 | Low | 141 Ų | 141 | 68 Ų | 68 | 75% | 0.754 | 35% | 0.345 | S | S | * | . | trans | -66.3 | 42.4 | 171.8 | -81 | -30.1 | 0 | 0 | 0 | 112.6 | V235 E248 | V235-N250 HydrophobicContact CG1-CB 4.31Å; V235-N250 WeakPolarHBondContact CG1-OD1 3.5Å; E248-N250 PolarHBondContact O-N 3.29Å | ||
| 251 | T | 64.8 | Low | 62.5 | Low | 21 Ų | 21 | 63.2 Ų | 63.2 | 13% | 0.129 | 32% | 0.319 | C | S | . | . | trans | -73 | 133 | -180 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | S249 L253 | S249-T251 PolarHBondContact O-N 2.82Å; S249-T251 PolarHBondContact O-OG1 3.41Å; S249-T251 PolarHBondContact OG-OG1 2.87Å; T251-L253 PolarHBondContact O-N 3.43Å | ||
| 252 | S | 71.6 | Confident | 63.3 | Low | 16 Ų | 16 | 62.1 Ų | 62.1 | 11% | 0.112 | 32% | 0.316 | C | S | . | . | trans | -74.6 | 111.8 | 172 | 41.5 | 0 | 0 | 0 | 0 | 109.6 | V268 | S252-V268 WeakPolarHBondContact O-CG2 3.39Å; S252-V268 PolarHBondContact O-N 2.9Å; S252-V268 VanDerWaalsContact O-N 3.11Å | ||
| 253 | L | 76.1 | Confident | 64.4 | Low | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 145.4 | 176.2 | -65.9 | 172.8 | 0 | 0 | 0 | 110.5 | L233 A237 L242 T251 W266 | L233-L253 HydrophobicContact CB-CB 4.02Å; L233-L253 HydrophobicContact CD1-CB 4.1Å; L233-L253 PolarHBondContact N-O 3.49Å; A237-L253 HydrophobicContact CB-CD1 4.49Å; L242-L253 HydrophobicContact CD1-CD1 3.49Å; L242-L253 VanDerWaalsContact CD1-CD1 3.49Å; L242-L253 HydrophobicContact CD1-CD2 4.35Å; T251-L253 PolarHBondContact O-N 3.43Å; L253-W266 CarbonylContact C-O 3.59Å; L253-W266 WeakPolarHBondContact CA-O 3.39Å |
| 254 | L | 75.5 | Confident | 65.4 | Low | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 118.6 | 179.1 | -176.5 | 93 | 0 | 0 | 0 | 109 | V205 L213 V231 F232 T256 C265 W266 V268 | V205-L254 HydrophobicContact CB-CD1 4.4Å; V205-L254 HydrophobicContact CG1-CD1 4.2Å; V205-L254 HydrophobicContact CG2-CD1 4.29Å; L213-L254 HydrophobicContact CD1-CD2 3.29Å; L213-L254 HydrophobicContact CD2-CD2 4.19Å; L213-L254 HydrophobicContact CG-CD2 4.25Å; V231-L254 CarbonylContact O-C 3.53Å; V231-L254 WeakPolarHBondContact O-CA 3.43Å; V231-L254 WeakPolarHBondContact O-CD1 2.88Å; V231-L254 WeakPolarHBondContact O-CG 3.26Å; F232-L254 HydrophobicContact CB-CD1 4.43Å; F232-L254 HydrophobicContact CD1-CD1 3.86Å; F232-L254 HydrophobicContact CD2-CD1 3.82Å; F232-L254 HydrophobicContact CE1-CD1 4.08Å; F232-L254 HydrophobicContact CE2-CD1 4.05Å; F232-L254 HydrophobicContact CG-CD1 3.74Å; F232-L254 HydrophobicContact CZ-CD1 4.18Å; L254-T256 HydrophobicContact CD2-CG2 4.04Å; L254-T256 HydrophobicContact CG-CG2 4.21Å; L254-C265 CarbonylContact O-C 3.44Å; L254-C265 VanDerWaalsContact O-CA 3.28Å; L254-C265 WeakPolarHBondContact O-CA 3.35Å; L254-W266 HydrophobicContact CB-CB 4.25Å; L254-W266 HydrophobicContact CD2-CB 4.43Å; L254-W266 PolarHBondContact N-O 3.01Å; L254-W266 PolarHBondContact O-N 2.92Å; L254-V268 HydrophobicContact CB-CG2 3.9Å |
| 255 | L | 79.7 | Confident | 66.7 | Low | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.4 | 174.4 | -166.4 | 64.7 | 0 | 0 | 0 | 111.9 | C230 V231 L233 L238 L263 R264 L310 L333 | C230-L255 CarbonylContact C-O 3.45Å; V231-L255 CarbonylContact C-O 3.43Å; V231-L255 WeakPolarHBondContact CA-O 3.4Å; V231-L255 WeakPolarHBondContact CB-O 3.43Å; V231-L255 PolarHBondContact N-O 3.47Å; V231-L255 CarbonylContact O-C 3.57Å; V231-L255 PolarHBondContact O-N 3.4Å; L233-L255 HydrophobicContact CD1-CB 3.9Å; L233-L255 HydrophobicContact CD1-CD1 4.28Å; L233-L255 HydrophobicContact CD2-CB 4.07Å; L233-L255 HydrophobicContact CD2-CD2 4.12Å; L233-L255 HydrophobicContact CG-CB 3.76Å; L238-L255 HydrophobicContact CD1-CD1 4.34Å; L255-L263 HydrophobicContact CD1-CD1 4Å; L255-L263 HydrophobicContact CD1-CD2 3.51Å; L255-L263 HydrophobicContact CD1-CG 3.44Å; L255-L263 VanDerWaalsContact CD1-CG 3.44Å; L255-L263 HydrophobicContact CD2-CD1 3.94Å; L255-L263 HydrophobicContact CD2-CD2 3.94Å; L255-L263 HydrophobicContact CD2-CG 4.18Å; L255-L263 HydrophobicContact CG-CD1 3.71Å; L255-L263 HydrophobicContact CG-CD2 3.99Å; L255-L263 HydrophobicContact CG-CG 3.77Å; L255-R264 CarbonylContact C-O 3.54Å; L255-R264 VanDerWaalsContact CA-O 3.3Å; L255-R264 WeakPolarHBondContact CA-O 3.38Å; L255-L310 HydrophobicContact CD2-CD1 4.3Å; L255-L310 HydrophobicContact CD2-CD2 4.22Å; L255-L310 HydrophobicContact CG-CD2 4.22Å; L255-L333 HydrophobicContact CD2-CD1 3.96Å; L255-L333 HydrophobicContact CD2-CD2 3.43Å; L255-L333 VanDerWaalsContact CD2-CD2 3.43Å; L255-L333 HydrophobicContact CD2-CG 4.35Å |
| 256 | T | 77.8 | Confident | 68 | Low | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 139.7 | -174.6 | 87.2 | 0 | 0 | 0 | 0 | 112.1 | A229 C230 L254 L263 R264 W266 | A229-T256 VanDerWaalsContact C-CB 3.47Å; A229-T256 HydrophobicContact CB-CG2 4.38Å; A229-T256 WeakPolarHBondContact O-CG2 3.44Å; C230-T256 VanDerWaalsContact N-CB 3.27Å; C230-T256 VanDerWaalsContact N-CG2 3.29Å; C230-T256 VanDerWaalsContact O-CA 3.24Å; C230-T256 WeakPolarHBondContact O-CA 3.44Å; L254-T256 HydrophobicContact CD2-CG2 4.04Å; L254-T256 HydrophobicContact CG-CG2 4.21Å; T256-L263 CarbonylContact O-C 3.59Å; T256-L263 WeakPolarHBondContact O-CA 3.38Å; T256-L263 WeakPolarHBondContact O-CD1 3.47Å; T256-R264 PolarHBondContact N-O 2.97Å; T256-R264 PolarHBondContact O-N 2.97Å; T256-W266 HydrophobicContact CG2-CG 4.44Å; T256-W266 VanDerWaalsContact CG2-NE1 3.34Å; T256-W266 PolarHBondContact OG1-NE1 2.77Å |
| 257 | G | 78.5 | Confident | 69.3 | Low | 22 Ų | 22 | 46.1 Ų | 46.1 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I307 | G257-I307 VanDerWaalsContact CA-CD1 3.46Å |
| 258 | G | 71.8 | Confident | 70.6 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 32% | 0.32 | 21% | 0.213 | S | C | . | . | trans | -157.4 | -159.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | W260 G261 S306 I307 | G258-W260 PolarHBondContact O-N 3.09Å; G258-G261 PolarHBondContact O-N 2.89Å; G258-S306 WeakPolarHBondContact O-CA 3.34Å; G258-I307 PolarHBondContact O-N 2.96Å; G258-I307 VanDerWaalsContact O-N 3.1Å | ||
| 259 | Q | 68.2 | Low | 71.8 | Confident | 113 Ų | 113 | 38.5 Ų | 38.5 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.6 | -166.4 | 68.2 | -172 | -9.5 | 0 | 0 | 116.6 | S306 | Q259-S306 WeakPolarHBondContact CA-OG 3.27Å; Q259-S306 PolarHBondContact O-OG 2.85Å |
| 260 | W | 64.9 | Low | 72.9 | Confident | 184 Ų | 184 | 40.4 Ų | 40.4 | 70% | 0.697 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.9 | 179.8 | -65 | 108.2 | 0 | 0 | 0 | 112.9 | G258 C262 | G258-W260 PolarHBondContact O-N 3.09Å; W260-C262 HydrophobicContact CB-CB 4.49Å; W260-C262 VanDerWaalsContact CB-SG 3.58Å; W260-C262 PolarHBondContact O-N 2.96Å; W260-C262 VanDerWaalsContact O-N 3.12Å |
| 261 | G | 69.5 | Low | 73.5 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 68.6 | 1.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G258 H305 R337 | G258-G261 PolarHBondContact O-N 2.89Å; G261-H305 WeakPolarHBondContact CA-O 3.12Å; G261-R337 PolarHBondContact O-NH1 2.9Å |
| 262 | C | 70.9 | Confident | 73.8 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136.7 | 178 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | W260 I277 | W260-C262 HydrophobicContact CB-CB 4.49Å; W260-C262 VanDerWaalsContact CB-SG 3.58Å; W260-C262 PolarHBondContact O-N 2.96Å; W260-C262 VanDerWaalsContact O-N 3.12Å; C262-I277 CarbonylContact C-O 3.58Å; C262-I277 WeakPolarHBondContact CA-O 3.41Å |
| 263 | L | 76.7 | Confident | 73.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.2 | 170.1 | -159.4 | 73.4 | 0 | 0 | 0 | 109.1 | L255 T256 I277 L281 I307 L310 L335 | L255-L263 HydrophobicContact CD1-CD1 4Å; L255-L263 HydrophobicContact CD1-CD2 3.51Å; L255-L263 HydrophobicContact CD1-CG 3.44Å; L255-L263 VanDerWaalsContact CD1-CG 3.44Å; L255-L263 HydrophobicContact CD2-CD1 3.94Å; L255-L263 HydrophobicContact CD2-CD2 3.94Å; L255-L263 HydrophobicContact CD2-CG 4.18Å; L255-L263 HydrophobicContact CG-CD1 3.71Å; L255-L263 HydrophobicContact CG-CD2 3.99Å; L255-L263 HydrophobicContact CG-CG 3.77Å; T256-L263 CarbonylContact O-C 3.59Å; T256-L263 WeakPolarHBondContact O-CA 3.38Å; T256-L263 WeakPolarHBondContact O-CD1 3.47Å; L263-I277 HydrophobicContact CB-CB 4.31Å; L263-I277 PolarHBondContact N-O 3.13Å; L263-I277 PolarHBondContact O-N 2.82Å; L263-L281 HydrophobicContact CD2-CD1 3.78Å; L263-L281 HydrophobicContact CD2-CD2 4.37Å; L263-I307 HydrophobicContact CD1-CD1 4.14Å; L263-L310 HydrophobicContact CD1-CD1 4.31Å; L263-L310 HydrophobicContact CD1-CD2 4.23Å; L263-L335 HydrophobicContact CD1-CD1 4.02Å |
| 264 | R | 74.4 | Confident | 73.5 | Confident | 81 Ų | 81 | 43.3 Ų | 43.3 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.2 | 177.3 | -65.6 | 179.7 | 176.1 | -154.6 | -7.6 | 110.9 | L255 T256 W266 L275 E276 | L255-R264 CarbonylContact C-O 3.54Å; L255-R264 VanDerWaalsContact CA-O 3.3Å; L255-R264 WeakPolarHBondContact CA-O 3.38Å; T256-R264 PolarHBondContact N-O 2.97Å; T256-R264 PolarHBondContact O-N 2.97Å; R264-W266 HydrophobicContact CB-CZ2 4.35Å; R264-L275 CarbonylContact C-O 3.31Å; R264-L275 VanDerWaalsContact CA-O 3.28Å; R264-L275 WeakPolarHBondContact CA-O 3.25Å; R264-E276 HydrophobicContact CG-CB 4.31Å; R264-E276 HydrophobicContact CG-CG 4.1Å; R264-E276 IonicContact CZ-OE1 3.68Å; R264-E276 IonicContact NE-OE1 3.26Å; R264-E276 PolarHBondContact NE-OE1 3.19Å; R264-E276 IonicContact NH2-OE1 2.64Å; R264-E276 PolarHBondContact NH2-OE1 3.15Å; R264-E276 IonicContact NH2-OE2 3.72Å; R264-E276 PolarHBondContact NH2-OE2 3.35Å |
| 265 | C | 77.9 | Confident | 73.3 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.3 | 172.3 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | L238 L254 C273 V274 L275 | L238-C265 HydrophobicContact CD1-CB 3.89Å; L254-C265 CarbonylContact O-C 3.44Å; L254-C265 VanDerWaalsContact O-CA 3.28Å; L254-C265 WeakPolarHBondContact O-CA 3.35Å; C265-C273 CarbonylContact O-C 3.55Å; C265-C273 WeakPolarHBondContact O-CA 3.02Å; C265-V274 PolarHBondContact O-N 2.83Å; C265-L275 HydrophobicContact CB-CB 3.95Å; C265-L275 HydrophobicContact CB-CD1 4.44Å; C265-L275 PolarHBondContact N-O 2.97Å; C265-L275 PolarHBondContact O-N 2.75Å |
| 266 | W | 75.5 | Confident | 72.9 | Confident | 18 Ų | 18 | 49 Ų | 49 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.6 | -178.1 | -54.2 | 75.2 | 0 | 0 | 0 | 109.5 | E228 L253 L254 T256 R264 H272 C273 | E228-W266 HydrophobicContact CB-CH2 3.82Å; E228-W266 HydrophobicContact CB-CZ2 4.22Å; E228-W266 HydrophobicContact CB-CZ3 4.42Å; E228-W266 WeakPolarHBondContact O-CZ2 3.11Å; L253-W266 CarbonylContact C-O 3.59Å; L253-W266 WeakPolarHBondContact CA-O 3.39Å; L254-W266 HydrophobicContact CB-CB 4.25Å; L254-W266 HydrophobicContact CD2-CB 4.43Å; L254-W266 PolarHBondContact N-O 3.01Å; L254-W266 PolarHBondContact O-N 2.92Å; T256-W266 HydrophobicContact CG2-CG 4.44Å; T256-W266 VanDerWaalsContact CG2-NE1 3.34Å; T256-W266 PolarHBondContact OG1-NE1 2.77Å; R264-W266 HydrophobicContact CB-CZ2 4.35Å; W266-H272 WeakPolarHBondContact CA-O 3.42Å; W266-C273 HydrophobicContact CD2-CB 4.03Å; W266-C273 HydrophobicContact CE3-CB 3.75Å; W266-C273 HydrophobicContact CH2-CB 3.85Å; W266-C273 HydrophobicContact CZ2-CB 4.1Å; W266-C273 HydrophobicContact CZ3-CB 3.66Å |
| 267 | D | 77.1 | Confident | 72.6 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.4 | 164.7 | 170.5 | 17.3 | 0 | 0 | 0 | 108.4 | D269 T270 G271 H272 V274 | D267-D269 VanDerWaalsContact C-N 3.27Å; D267-D269 PolarHBondContact O-N 3.35Å; D267-D269 PolarHBondContact OD1-N 3.15Å; D267-T270 WeakPolarHBondContact CB-OG1 3.4Å; D267-T270 VanDerWaalsContact CG-OG1 3.22Å; D267-T270 VanDerWaalsContact OD2-CB 3.31Å; D267-T270 WeakPolarHBondContact OD2-CB 3.04Å; D267-T270 WeakPolarHBondContact OD2-CG2 3.45Å; D267-T270 PolarHBondContact OD2-N 3.07Å; D267-T270 PolarHBondContact OD2-OG1 3.3Å; D267-G271 WeakPolarHBondContact O-CA 3.39Å; D267-G271 PolarHBondContact O-N 3.45Å; D267-H272 PolarHBondContact N-O 3.32Å; D267-V274 HydrophobicContact CB-CG2 3.76Å |
| 268 | V | 74.9 | Confident | 71.8 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.3 | -177.5 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | V215 K225 F232 S252 L254 | V215-V268 HydrophobicContact CG1-CG1 4.48Å; V215-V268 HydrophobicContact CG2-CG1 4.08Å; K225-V268 PolarHBondContact NZ-O 2.55Å; F232-V268 HydrophobicContact CE1-CG2 3.97Å; S252-V268 WeakPolarHBondContact O-CG2 3.39Å; S252-V268 PolarHBondContact O-N 2.9Å; S252-V268 VanDerWaalsContact O-N 3.11Å; L254-V268 HydrophobicContact CB-CG2 3.9Å |
| 269 | D | 75.8 | Confident | 71.4 | Confident | 91 Ų | 91 | 54.5 Ų | 54.5 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -50.2 | -179.7 | -72.7 | -34.8 | 0 | 0 | 0 | 111.1 | K225 D267 | K225-D269 PolarHBondContact NZ-O 3.28Å; D267-D269 VanDerWaalsContact C-N 3.27Å; D267-D269 PolarHBondContact O-N 3.35Å; D267-D269 PolarHBondContact OD1-N 3.15Å |
| 270 | T | 72.4 | Confident | 71.2 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -25.1 | 178.5 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | D267 H272 | D267-T270 WeakPolarHBondContact CB-OG1 3.4Å; D267-T270 VanDerWaalsContact CG-OG1 3.22Å; D267-T270 VanDerWaalsContact OD2-CB 3.31Å; D267-T270 WeakPolarHBondContact OD2-CB 3.04Å; D267-T270 WeakPolarHBondContact OD2-CG2 3.45Å; D267-T270 PolarHBondContact OD2-N 3.07Å; D267-T270 PolarHBondContact OD2-OG1 3.3Å; T270-H272 VanDerWaalsContact C-N 3.26Å; T270-H272 PolarHBondContact OG1-N 3.24Å |
| 271 | G | 70.6 | Confident | 70.9 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | trans | 76 | 9.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D267 | D267-G271 WeakPolarHBondContact O-CA 3.39Å; D267-G271 PolarHBondContact O-N 3.45Å | ||
| 272 | H | 69.9 | Low | 70.2 | Confident | 133 Ų | 133 | 43.6 Ų | 43.6 | 62% | 0.616 | 23% | 0.226 | S | C | * | . | trans | -93.6 | 144.4 | -178.8 | -70.4 | -54.2 | 0 | 0 | 0 | 112.4 | W266 D267 T270 V274 | W266-H272 WeakPolarHBondContact CA-O 3.42Å; D267-H272 PolarHBondContact N-O 3.32Å; T270-H272 VanDerWaalsContact C-N 3.26Å; T270-H272 PolarHBondContact OG1-N 3.24Å; H272-V274 PolarHBondContact O-N 3Å | ||
| 273 | C | 69.9 | Low | 69.4 | Low | 50 Ų | 50 | 47.5 Ų | 47.5 | 34% | 0.338 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 109 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | C265 W266 L275 | C265-C273 CarbonylContact O-C 3.55Å; C265-C273 WeakPolarHBondContact O-CA 3.02Å; W266-C273 HydrophobicContact CD2-CB 4.03Å; W266-C273 HydrophobicContact CE3-CB 3.75Å; W266-C273 HydrophobicContact CH2-CB 3.85Å; W266-C273 HydrophobicContact CZ2-CB 4.1Å; W266-C273 HydrophobicContact CZ3-CB 3.66Å; C273-L275 PolarHBondContact SG-O 2.94Å; C273-L275 VanDerWaalsContact SG-O 3.39Å |
| 274 | V | 71.9 | Confident | 67.8 | Low | 45 Ų | 45 | 52 Ų | 52 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -34.6 | -177.2 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | L242 F246 C265 D267 H272 | L242-V274 HydrophobicContact CD2-CB 4.07Å; L242-V274 HydrophobicContact CD2-CG1 3.25Å; F246-V274 HydrophobicContact CE1-CG1 4.41Å; F246-V274 HydrophobicContact CE2-CG1 4.29Å; F246-V274 HydrophobicContact CZ-CG1 3.91Å; C265-V274 PolarHBondContact O-N 2.83Å; D267-V274 HydrophobicContact CB-CG2 3.76Å; H272-V274 PolarHBondContact O-N 3Å |
| 275 | L | 71.5 | Confident | 66.1 | Low | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.4 | 179.2 | -66 | 169.1 | 0 | 0 | 0 | 111.3 | L238 H241 L242 R264 C265 C273 | L238-L275 HydrophobicContact CD1-CD1 4.19Å; H241-L275 HydrophobicContact CB-CD1 3.41Å; H241-L275 VanDerWaalsContact CB-CD1 3.41Å; H241-L275 HydrophobicContact CB-CD2 4.25Å; H241-L275 HydrophobicContact CB-CG 4.48Å; L242-L275 HydrophobicContact CD1-CD1 4.32Å; L242-L275 HydrophobicContact CD2-CD1 3.38Å; L242-L275 HydrophobicContact CD2-CD2 4.22Å; L242-L275 HydrophobicContact CD2-CG 3.58Å; L242-L275 HydrophobicContact CG-CD1 3.52Å; L242-L275 HydrophobicContact CG-CG 4.28Å; R264-L275 CarbonylContact C-O 3.31Å; R264-L275 VanDerWaalsContact CA-O 3.28Å; R264-L275 WeakPolarHBondContact CA-O 3.25Å; C265-L275 HydrophobicContact CB-CB 3.95Å; C265-L275 HydrophobicContact CB-CD1 4.44Å; C265-L275 PolarHBondContact N-O 2.97Å; C265-L275 PolarHBondContact O-N 2.75Å; C273-L275 PolarHBondContact SG-O 2.94Å; C273-L275 VanDerWaalsContact SG-O 3.39Å |
| 276 | E | 70.9 | Confident | 63.8 | Low | 86 Ų | 86 | 61.4 Ų | 61.4 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.1 | 166.9 | 178.8 | 171.2 | -160.1 | 0 | 0 | 108.7 | R264 | R264-E276 HydrophobicContact CG-CB 4.31Å; R264-E276 HydrophobicContact CG-CG 4.1Å; R264-E276 IonicContact CZ-OE1 3.68Å; R264-E276 IonicContact NE-OE1 3.26Å; R264-E276 PolarHBondContact NE-OE1 3.19Å; R264-E276 IonicContact NH2-OE1 2.64Å; R264-E276 PolarHBondContact NH2-OE1 3.15Å; R264-E276 IonicContact NH2-OE2 3.72Å; R264-E276 PolarHBondContact NH2-OE2 3.35Å |
| 277 | I | 70.7 | Confident | 61.7 | Low | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.118 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.9 | -175.6 | -58.2 | 177.6 | 0 | 0 | 0 | 107.7 | C262 L263 L281 | C262-I277 CarbonylContact C-O 3.58Å; C262-I277 WeakPolarHBondContact CA-O 3.41Å; L263-I277 HydrophobicContact CB-CB 4.31Å; L263-I277 PolarHBondContact N-O 3.13Å; L263-I277 PolarHBondContact O-N 2.82Å; I277-L281 HydrophobicContact CD1-CD1 3.22Å |
| 278 | K | 63.4 | Low | 59.6 | Low | 144 Ų | 144 | 72.7 Ų | 72.7 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 83.3 | 176.1 | -59 | -167.8 | 179.2 | 178.3 | 0 | 108 | ||
| 279 | G | 63.1 | Low | 57.4 | Low | 4 Ų | 4 | 77.1 Ų | 77.1 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 138.9 | -157.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y302 | G279-Y302 VanDerWaalsContact CA-CB 3.45Å; G279-Y302 VanDerWaalsContact CA-CG 3.46Å |
| 280 | P | 63.7 | Low | 55.1 | Low | 17 Ų | 17 | 75.7 Ų | 75.7 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | trans | -73.6 | 139.5 | 179.7 | 29.1 | -26.7 | 0 | 0 | 0 | 108.9 | D282 R283 Y302 Y345 | P280-D282 PolarHBondContact O-N 3.04Å; P280-D282 VanDerWaalsContact O-N 3.08Å; P280-R283 HydrophobicContact CG-CB 4.17Å; P280-R283 HydrophobicContact CG-CG 4.06Å; P280-R283 PolarHBondContact O-N 2.92Å; P280-Y302 HydrophobicContact CB-CE2 4.47Å; P280-Y302 VanDerWaalsContact CD-CD2 3.45Å; P280-Y302 VanDerWaalsContact CD-CE2 3.41Å; P280-Y302 HydrophobicContact CG-CD2 4.15Å; P280-Y302 HydrophobicContact CG-CE1 4.45Å; P280-Y302 HydrophobicContact CG-CE2 3.66Å; P280-Y345 VanDerWaalsContact CA-OH 3.31Å; P280-Y345 WeakPolarHBondContact CA-OH 3.22Å; P280-Y345 WeakPolarHBondContact CB-OH 3.37Å | ||
| 281 | L | 57.9 | Low | 53 | Low | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.5 | -171.1 | -168.1 | 56.1 | 0 | 0 | 0 | 113.4 | L238 H241 L263 I277 L333 Y345 G350 | L238-L281 HydrophobicContact CD2-CD1 3.79Å; L238-L281 HydrophobicContact CD2-CD2 3.91Å; L238-L281 HydrophobicContact CD2-CG 4.16Å; H241-L281 PolarHBondContact CE1-O 3.02Å; H241-L281 PolarHBondContact NE2-O 3.25Å; L263-L281 HydrophobicContact CD2-CD1 3.78Å; L263-L281 HydrophobicContact CD2-CD2 4.37Å; I277-L281 HydrophobicContact CD1-CD1 3.22Å; L281-L333 HydrophobicContact CD2-CD2 4.26Å; L281-Y345 HydrophobicContact CB-CD1 3.57Å; L281-Y345 HydrophobicContact CB-CD2 4.42Å; L281-Y345 HydrophobicContact CB-CE1 3.32Å; L281-Y345 HydrophobicContact CB-CE2 4.16Å; L281-Y345 HydrophobicContact CB-CG 4.13Å; L281-Y345 HydrophobicContact CD2-CD1 3.96Å; L281-Y345 HydrophobicContact CD2-CD2 4.33Å; L281-Y345 HydrophobicContact CD2-CG 3.85Å; L281-Y345 HydrophobicContact CG-CD1 4.25Å; L281-Y345 HydrophobicContact CG-CE1 4.44Å; L281-Y345 PolarHBondContact N-OH 2.87Å; L281-G350 CarbonylContact C-O 3.55Å; L281-G350 WeakPolarHBondContact CG-O 3.43Å |
| 282 | D | 54.7 | Low | 51 | Low | 50 Ų | 50 | 82.9 Ų | 82.9 | 27% | 0.267 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.9 | -173.4 | -155.7 | 11.1 | 0 | 0 | 0 | 113.8 | P280 T284 L352 | P280-D282 PolarHBondContact O-N 3.04Å; P280-D282 VanDerWaalsContact O-N 3.08Å; D282-T284 PolarHBondContact O-N 2.74Å; D282-L352 HydrophobicContact CB-CB 3.86Å; D282-L352 WeakPolarHBondContact OD2-CB 3.4Å; D282-L352 PolarHBondContact OD2-N 3.29Å; D282-L352 VanDerWaalsContact OD2-N 3.11Å |
| 283 | R | 54.1 | Low | 49 | Very low | 101 Ų | 101 | 80 Ų | 80 | 38% | 0.381 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -94.2 | 73.3 | -173.1 | -64.9 | -171.1 | -176.8 | -174.3 | 4.8 | 112.6 | P280 | P280-R283 HydrophobicContact CG-CB 4.17Å; P280-R283 HydrophobicContact CG-CG 4.06Å; P280-R283 PolarHBondContact O-N 2.92Å |
| 284 | T | 43.9 | Very low | 47.1 | Very low | 99 Ų | 99 | 83 Ų | 83 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | trans | 58.9 | 154.1 | 159.5 | 67.5 | 0 | 0 | 0 | 0 | 118.2 | D282 | D282-T284 PolarHBondContact O-N 2.74Š| ||
| 285 | P | 38.7 | Very low | 45.1 | Very low | 101 Ų | 101 | 87.1 Ų | 87.1 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | -113.6 | 129.2 | 64.4 | 5.2 | 15.5 | 0 | 0 | 0 | 113 | S287 | P285-S287 PolarHBondContact O-N 3Š| |||
| 286 | Q | 29.2 | Very low | 43.2 | Very low | 179 Ų | 179 | 89.3 Ų | 89.3 | 84% | 0.836 | 51% | 0.508 | S | S | * | . | trans | -74.3 | 111 | 152.1 | -75.9 | -176.7 | -13.9 | 0 | 0 | 107.6 | ||||
| 287 | S | 31.7 | Very low | 41.2 | Very low | 80 Ų | 80 | 93.5 Ų | 93.5 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | 167.4 | 130.8 | 126.1 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | P285 S289 | P285-S287 PolarHBondContact O-N 3Å; S287-S289 PolarHBondContact O-N 3.44Å | |||
| 288 | D | 33.3 | Very low | 39.3 | Very low | 185 Ų | 185 | 100.6 Ų | 100.6 | 99% | 0.989 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -78.4 | 20 | 158.8 | -108 | -14.1 | 0 | 0 | 0 | 111.6 | ||
| 289 | S | 27.9 | Very low | 38 | Very low | 95 Ų | 95 | 98.2 Ų | 98.2 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -156.8 | 105.9 | -179 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | S287 | S287-S289 PolarHBondContact O-N 3.44Š|
| 290 | G | 27.4 | Very low | 36.8 | Very low | 61 Ų | 61 | 102.7 Ų | 102.7 | 63% | 0.629 | 58% | 0.576 | S | S | * | * | S | Bend | trans | 80 | 109.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 291 | S | 29.9 | Very low | 35.4 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 78% | 0.783 | 60% | 0.602 | S | S | * | * | trans | 60.8 | 100.7 | 155.3 | 46.2 | 0 | 0 | 0 | 0 | 116.9 | T293 | S291-T293 PolarHBondContact O-N 3.29Å; S291-T293 VanDerWaalsContact O-N 3.07Å | ||
| 292 | L | 27.3 | Very low | 34.6 | Very low | 138 Ų | 138 | 109.2 Ų | 109.2 | 72% | 0.723 | 61% | 0.608 | S | S | * | * | trans | -43.5 | 116.3 | 156 | -108.8 | 83.6 | 0 | 0 | 0 | 108.7 | D296 | L292-D296 HydrophobicContact CD2-CB 4.43Å; L292-D296 HydrophobicContact CG-CB 4.34Å | ||
| 293 | T | 27.7 | Very low | 33.9 | Very low | 73 Ų | 73 | 108.3 Ų | 108.3 | 45% | 0.448 | 61% | 0.61 | S | S | . | * | trans | -76.8 | 152.9 | 173.8 | 64.9 | 0 | 0 | 0 | 0 | 108.4 | S291 L295 D296 | S291-T293 PolarHBondContact O-N 3.29Å; S291-T293 VanDerWaalsContact O-N 3.07Å; T293-L295 PolarHBondContact O-N 2.88Å; T293-D296 PolarHBondContact N-OD2 2.83Å; T293-D296 WeakPolarHBondContact O-CB 3.36Å; T293-D296 PolarHBondContact O-N 2.81Å; T293-D296 PolarHBondContact OG1-OD2 3.39Å | ||
| 294 | T | 30.2 | Very low | 34 | Very low | 113 Ų | 113 | 109 Ų | 109 | 69% | 0.693 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -11.8 | 177.8 | 47.5 | 0 | 0 | 0 | 0 | 113.5 | R297 | T294-R297 PolarHBondContact O-N 2.95Š|
| 295 | L | 29.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 107.7 Ų | 107.7 | 69% | 0.686 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -31.7 | 169.8 | -79.2 | 115.1 | 0 | 0 | 0 | 112.6 | T293 R297 H298 S299 | T293-L295 PolarHBondContact O-N 2.88Å; L295-R297 PolarHBondContact O-N 2.63Å; L295-H298 PolarHBondContact O-N 3.3Å; L295-H298 VanDerWaalsContact O-N 3.09Å; L295-S299 PolarHBondContact O-N 3.13Å |
| 296 | D | 33 | Very low | 37 | Very low | 81 Ų | 81 | 104.4 Ų | 104.4 | 43% | 0.433 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -23.4 | 175.5 | -59.6 | -43.1 | 0 | 0 | 0 | 111.6 | L292 T293 H298 S299 | L292-D296 HydrophobicContact CD2-CB 4.43Å; L292-D296 HydrophobicContact CG-CB 4.34Å; T293-D296 PolarHBondContact N-OD2 2.83Å; T293-D296 WeakPolarHBondContact O-CB 3.36Å; T293-D296 PolarHBondContact O-N 2.81Å; T293-D296 PolarHBondContact OG1-OD2 3.39Å; D296-H298 VanDerWaalsContact C-N 3.31Å; D296-S299 PolarHBondContact O-N 3.09Å |
| 297 | R | 27.9 | Very low | 39.5 | Very low | 175 Ų | 175 | 96.6 Ų | 96.6 | 66% | 0.66 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -14.7 | 172.5 | -77 | -162.6 | 174.8 | 176.3 | -0.5 | 114.1 | T294 L295 I300 | T294-R297 PolarHBondContact O-N 2.95Å; L295-R297 PolarHBondContact O-N 2.63Å; R297-I300 VanDerWaalsContact CA-CD1 3.46Å; R297-I300 HydrophobicContact CB-CD1 3.76Å; R297-I300 HydrophobicContact CB-CG1 4.5Å; R297-I300 HydrophobicContact CG-CD1 3.79Å; R297-I300 WeakPolarHBondContact O-CB 3.49Å; R297-I300 WeakPolarHBondContact O-CD1 3.29Å; R297-I300 WeakPolarHBondContact O-CG1 3.44Å |
| 298 | H | 30.2 | Very low | 41.9 | Very low | 171 Ų | 171 | 95.7 Ų | 95.7 | 79% | 0.792 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.7 | 172.1 | -78.6 | -74.9 | 0 | 0 | 0 | 112.8 | L295 D296 I300 | L295-H298 PolarHBondContact O-N 3.3Å; L295-H298 VanDerWaalsContact O-N 3.09Å; D296-H298 VanDerWaalsContact C-N 3.31Å; H298-I300 PolarHBondContact O-N 3.33Å |
| 299 | S | 36.6 | Very low | 44.3 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -73.1 | -3 | 156.9 | -168 | 0 | 0 | 0 | 0 | 112.3 | L295 D296 D301 | L295-S299 PolarHBondContact O-N 3.13Å; D296-S299 PolarHBondContact O-N 3.09Å; S299-D301 VanDerWaalsContact C-N 3.29Å; S299-D301 PolarHBondContact O-N 2.75Å |
| 300 | I | 37.7 | Very low | 47 | Very low | 98 Ų | 98 | 86.3 Ų | 86.3 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 89.3 | 164.4 | -58.4 | 173.5 | 0 | 0 | 0 | 107.2 | R297 H298 | R297-I300 VanDerWaalsContact CA-CD1 3.46Å; R297-I300 HydrophobicContact CB-CD1 3.76Å; R297-I300 HydrophobicContact CB-CG1 4.5Å; R297-I300 HydrophobicContact CG-CD1 3.79Å; R297-I300 WeakPolarHBondContact O-CB 3.49Å; R297-I300 WeakPolarHBondContact O-CD1 3.29Å; R297-I300 WeakPolarHBondContact O-CG1 3.44Å; H298-I300 PolarHBondContact O-N 3.33Å |
| 301 | D | 35.7 | Very low | 49.7 | Very low | 121 Ų | 121 | 85.5 Ų | 85.5 | 65% | 0.647 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -177.4 | 47.9 | 132.5 | -85.7 | -19.5 | 0 | 0 | 0 | 109.8 | S299 G303 | S299-D301 VanDerWaalsContact C-N 3.29Å; S299-D301 PolarHBondContact O-N 2.75Å; D301-G303 PolarHBondContact O-N 2.84Å; D301-G303 VanDerWaalsContact O-N 3.11Å |
| 302 | Y | 39.4 | Very low | 52.2 | Low | 35 Ų | 35 | 82 Ų | 82 | 14% | 0.137 | 44% | 0.44 | C | S | . | . | trans | -79.3 | 51.1 | 148.8 | -135 | -77.3 | 0 | 0 | 0 | 109.1 | G279 P280 P420 | G279-Y302 VanDerWaalsContact CA-CB 3.45Å; G279-Y302 VanDerWaalsContact CA-CG 3.46Å; P280-Y302 HydrophobicContact CB-CE2 4.47Å; P280-Y302 VanDerWaalsContact CD-CD2 3.45Å; P280-Y302 VanDerWaalsContact CD-CE2 3.41Å; P280-Y302 HydrophobicContact CG-CD2 4.15Å; P280-Y302 HydrophobicContact CG-CE1 4.45Å; P280-Y302 HydrophobicContact CG-CE2 3.66Å; Y302-P420 HydrophobicContact CD2-CB 3.42Å; Y302-P420 VanDerWaalsContact CD2-CB 3.42Å; Y302-P420 HydrophobicContact CD2-CG 3.82Å; Y302-P420 HydrophobicContact CE2-CB 3.47Å; Y302-P420 VanDerWaalsContact CE2-CB 3.47Å; Y302-P420 HydrophobicContact CE2-CG 3.66Å | ||
| 303 | G | 40.6 | Very low | 54.7 | Low | 31 Ų | 31 | 76.5 Ų | 76.5 | 32% | 0.32 | 41% | 0.409 | S | S | . | . | trans | -104.6 | 150.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 106 | D301 | D301-G303 PolarHBondContact O-N 2.84Å; D301-G303 VanDerWaalsContact O-N 3.11Å | ||
| 304 | L | 55.8 | Low | 57 | Low | 116 Ų | 116 | 76 Ų | 76 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 172.6 | -35.1 | 146.4 | -89.9 | 154.3 | 0 | 0 | 0 | 109.6 | H384 | L304-H384 VanDerWaalsContact CD1-NE2 3.33Å; L304-H384 WeakPolarHBondContact CD1-NE2 3.19Å |
| 305 | H | 67.7 | Low | 58.9 | Low | 70 Ų | 70 | 71.1 Ų | 71.1 | 32% | 0.324 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -124.8 | 124.4 | -172.2 | -57.2 | 99.7 | 0 | 0 | 0 | 113.1 | G261 R337 Q338 S339 | G261-H305 WeakPolarHBondContact CA-O 3.12Å; H305-R337 HydrophobicContact CB-CB 4.27Å; H305-Q338 HydrophobicContact CB-CB 4.35Å; H305-S339 WeakPolarHBondContact ND1-CB 3.22Å |
| 306 | S | 78.2 | Confident | 60.7 | Low | 32 Ų | 32 | 70.6 Ų | 70.6 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | trans | -51.8 | 139.9 | 175 | -52.6 | 0 | 0 | 0 | 0 | 111 | G258 Q259 S308 R337 Q338 | G258-S306 WeakPolarHBondContact O-CA 3.34Å; Q259-S306 WeakPolarHBondContact CA-OG 3.27Å; Q259-S306 PolarHBondContact O-OG 2.85Å; S306-S308 PolarHBondContact O-N 3.45Å; S306-R337 WeakPolarHBondContact O-CA 3.48Å; S306-Q338 PolarHBondContact O-N 3.4Å; S306-Q338 PolarHBondContact OG-OE1 2.69Å | ||
| 307 | I | 81.9 | Confident | 61.7 | Low | 16 Ų | 16 | 70.5 Ų | 70.5 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118 | 167.4 | -64.3 | 162.5 | 0 | 0 | 0 | 107.2 | G257 G258 L263 L310 L335 V336 | G257-I307 VanDerWaalsContact CA-CD1 3.46Å; G258-I307 PolarHBondContact O-N 2.96Å; G258-I307 VanDerWaalsContact O-N 3.1Å; L263-I307 HydrophobicContact CD1-CD1 4.14Å; I307-L310 HydrophobicContact CG2-CB 4.41Å; I307-L335 HydrophobicContact CD1-CD1 3.96Å; I307-L335 HydrophobicContact CD1-CG 4.39Å; I307-L335 HydrophobicContact CG1-CD1 4.35Å; I307-L335 HydrophobicContact CG1-CD2 4.15Å; I307-L335 HydrophobicContact CG1-CG 4.28Å; I307-L335 HydrophobicContact CG2-CG 4.22Å; I307-V336 WeakPolarHBondContact CA-O 3.43Å |
| 308 | S | 82.6 | Confident | 62.6 | Low | 60 Ų | 60 | 68 Ų | 68 | 42% | 0.42 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -32.6 | -177.8 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | S306 V336 | S306-S308 PolarHBondContact O-N 3.45Å; S308-V336 PolarHBondContact N-O 2.96Å; S308-V336 PolarHBondContact OG-O 3.35Å |
| 309 | H | 83.3 | Confident | 63.3 | Low | 62 Ų | 62 | 65.1 Ų | 65.1 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 141.1 | -178.8 | -159.6 | -90.2 | 0 | 0 | 0 | 110.8 | V336 | H309-V336 HydrophobicContact CB-CB 3.8Å; H309-V336 HydrophobicContact CB-CG2 3.88Å; H309-V336 PolarHBondContact N-O 3.43Å; H309-V336 PolarHBondContact O-N 3.41Å |
| 310 | L | 84.5 | Confident | 63.4 | Low | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 123.1 | 179.4 | -172.9 | 69.2 | 0 | 0 | 0 | 107.6 | V231 L255 L263 I307 L333 I334 L335 | V231-L310 HydrophobicContact CB-CD2 3.62Å; V231-L310 HydrophobicContact CB-CG 4.16Å; V231-L310 HydrophobicContact CG1-CD2 4.06Å; V231-L310 HydrophobicContact CG1-CG 4.16Å; V231-L310 HydrophobicContact CG2-CB 3.95Å; V231-L310 HydrophobicContact CG2-CD2 3.69Å; V231-L310 HydrophobicContact CG2-CG 3.93Å; L255-L310 HydrophobicContact CD2-CD1 4.3Å; L255-L310 HydrophobicContact CD2-CD2 4.22Å; L255-L310 HydrophobicContact CG-CD2 4.22Å; L263-L310 HydrophobicContact CD1-CD1 4.31Å; L263-L310 HydrophobicContact CD1-CD2 4.23Å; I307-L310 HydrophobicContact CG2-CB 4.41Å; L310-L333 HydrophobicContact CD1-CD1 3.81Å; L310-L333 HydrophobicContact CD1-CG 4.42Å; L310-L333 HydrophobicContact CG-CD1 4.31Å; L310-I334 WeakPolarHBondContact CA-O 3.42Å; L310-L335 HydrophobicContact CD1-CB 4.06Å; L310-L335 HydrophobicContact CD1-CD1 4.36Å; L310-L335 HydrophobicContact CD1-CG 4.24Å |
| 311 | N | 83.5 | Confident | 63.6 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.3 | -177 | -166.2 | 24.7 | 0 | 0 | 0 | 111.7 | I334 | N311-I334 PolarHBondContact N-O 3.4Å; N311-I334 PolarHBondContact O-N 3.16Å |
| 312 | V | 83 | Confident | 63.7 | Low | 38 Ų | 38 | 70 Ų | 70 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.9 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | L331 R332 L333 | V312-L331 HydrophobicContact CG1-CB 4.46Å; V312-L331 HydrophobicContact CG1-CD2 3.81Å; V312-R332 CarbonylContact C-O 3.57Å; V312-R332 WeakPolarHBondContact CA-O 3.36Å; V312-L333 HydrophobicContact CG2-CB 4.48Å; V312-L333 HydrophobicContact CG2-CD1 3.67Å |
| 313 | Y | 79.3 | Confident | 63.5 | Low | 22 Ų | 22 | 76.9 Ų | 76.9 | 9% | 0.086 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 164.3 | 179.6 | 72.6 | -72 | 0 | 0 | 0 | 111.4 | P25 E48 V315 L331 R332 I334 F344 | P25-Y313 HydrophobicContact CB-CD1 4.22Å; P25-Y313 HydrophobicContact CB-CD2 3.64Å; P25-Y313 HydrophobicContact CB-CE1 4.1Å; P25-Y313 HydrophobicContact CB-CE2 3.44Å; P25-Y313 VanDerWaalsContact CB-CE2 3.44Å; P25-Y313 HydrophobicContact CB-CG 4.01Å; P25-Y313 HydrophobicContact CG-CD1 3.68Å; P25-Y313 HydrophobicContact CG-CD2 3.63Å; P25-Y313 HydrophobicContact CG-CE1 4.01Å; P25-Y313 HydrophobicContact CG-CE2 3.92Å; P25-Y313 HydrophobicContact CG-CG 3.49Å; P25-Y313 VanDerWaalsContact CG-CG 3.49Å; E48-Y313 PolarHBondContact OE1-OH 3.01Å; Y313-V315 HydrophobicContact CD2-CG2 3.94Å; Y313-V315 HydrophobicContact CE2-CG2 3.25Å; Y313-L331 WeakPolarHBondContact O-CA 3.47Å; Y313-R332 HydrophobicContact CD1-CB 4.01Å; Y313-R332 VanDerWaalsContact CD1-O 3.23Å; Y313-R332 WeakPolarHBondContact CD1-O 3.46Å; Y313-R332 HydrophobicContact CE1-CB 3.35Å; Y313-R332 HydrophobicContact CE2-CB 4.4Å; Y313-R332 PolarHBondContact N-O 2.87Å; Y313-R332 PolarHBondContact O-N 3.46Å; Y313-R332 WeakPolarHBondContact OH-CD 3.18Å; Y313-I334 HydrophobicContact CD1-CD1 3.78Å; Y313-I334 HydrophobicContact CD1-CG1 3.64Å; Y313-I334 HydrophobicContact CE1-CD1 3.39Å; Y313-I334 HydrophobicContact CE1-CG1 3.21Å; Y313-F344 HydrophobicContact CE1-CD1 4.18Å; Y313-F344 HydrophobicContact CE1-CE1 4.28Å; Y313-F344 VanDerWaalsContact OH-CD1 3.26Å; Y313-F344 WeakPolarHBondContact OH-CD1 3.07Å; Y313-F344 VanDerWaalsContact OH-CE1 3.31Å; Y313-F344 WeakPolarHBondContact OH-CE1 3.45Å |
| 314 | N | 76.7 | Confident | 63.4 | Low | 63 Ų | 63 | 80 Ų | 80 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.2 | 176 | -74.7 | -33.1 | 0 | 0 | 0 | 110.4 | L331 | N314-L331 WeakPolarHBondContact OD1-CD2 3.27Å |
| 315 | V | 70.8 | Confident | 62.6 | Low | 10 Ų | 10 | 83.8 Ų | 83.8 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.2 | 169 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | Y313 F330 R332 | Y313-V315 HydrophobicContact CD2-CG2 3.94Å; Y313-V315 HydrophobicContact CE2-CG2 3.25Å; V315-F330 PolarHBondContact N-O 2.88Å; V315-F330 PolarHBondContact O-N 3.31Å; V315-R332 HydrophobicContact CG2-CB 4.47Å; V315-R332 HydrophobicContact CG2-CG 4.03Å |
| 316 | K | 65.5 | Low | 61.4 | Low | 120 Ų | 120 | 85.4 Ų | 85.4 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.1 | 167 | -72.6 | 174.4 | 174.9 | 157 | 0 | 108.4 | E27 N318 | E27-K316 HydrophobicContact CB-CD 4.37Å; E27-K316 VanDerWaalsContact OE2-CE 3.22Å; E27-K316 WeakPolarHBondContact OE2-CE 3.44Å; E27-K316 IonicContact OE2-NZ 3.7Å; E27-K316 PolarHBondContact OE2-NZ 3.35Å; K316-N318 PolarHBondContact O-N 3.46Å |
| 317 | D | 55.3 | Low | 59.6 | Low | 80 Ų | 80 | 91.6 Ų | 91.6 | 43% | 0.428 | 48% | 0.483 | S | S | . | . | trans | -76.6 | 119.5 | 175.3 | -152.3 | 24.3 | 0 | 0 | 0 | 109.1 | N319 | D317-N319 PolarHBondContact O-N 3.29Å; D317-N319 VanDerWaalsContact O-N 3.16Å; D317-N319 PolarHBondContact OD2-ND2 3.31Å | ||
| 318 | N | 47.3 | Very low | 57.9 | Low | 121 Ų | 121 | 93.6 Ų | 93.6 | 65% | 0.647 | 49% | 0.494 | S | S | * | . | trans | -76 | 12.8 | 176.2 | -82.8 | -14.3 | 0 | 0 | 0 | 113.1 | K316 D320 | K316-N318 PolarHBondContact O-N 3.46Å; N318-D320 PolarHBondContact O-N 2.97Å | ||
| 319 | N | 44.6 | Very low | 56.5 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 60% | 0.599 | 50% | 0.499 | S | S | * | . | trans | -77.2 | 90.1 | 173 | -73.6 | -41.6 | 0 | 0 | 0 | 109.5 | D317 N321 | D317-N319 PolarHBondContact O-N 3.29Å; D317-N319 VanDerWaalsContact O-N 3.16Å; D317-N319 PolarHBondContact OD2-ND2 3.31Å; N319-N321 PolarHBondContact O-N 3.01Å | ||
| 320 | D | 39 | Very low | 55.9 | Low | 158 Ų | 158 | 96.9 Ų | 96.9 | 85% | 0.845 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 28.7 | -178.3 | -88.7 | -21.2 | 0 | 0 | 0 | 116.9 | N318 | N318-D320 PolarHBondContact O-N 2.97Š|
| 321 | N | 40.9 | Very low | 55.5 | Low | 154 Ų | 154 | 98.6 Ų | 98.6 | 82% | 0.824 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 9.5 | -171.8 | -79.5 | -27.2 | 0 | 0 | 0 | 117.6 | N319 | N319-N321 PolarHBondContact O-N 3.01Š|
| 322 | V | 37 | Very low | 55.5 | Low | 104 Ų | 104 | 98 Ų | 98 | 63% | 0.63 | 51% | 0.513 | S | S | * | . | trans | -140.6 | 118.1 | 170.7 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | D324 | V322-D324 PolarHBondContact O-N 3.47Š| ||
| 323 | L | 35.9 | Very low | 55.5 | Low | 180 Ų | 180 | 96.3 Ų | 96.3 | 94% | 0.942 | 50% | 0.503 | S | S | * | . | trans | -67.3 | 25.6 | -177.4 | -81.6 | 156.1 | 0 | 0 | 0 | 116.2 | ||||
| 324 | D | 38.9 | Very low | 55.9 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | trans | -108.2 | 84.8 | 177.7 | -89.1 | -12 | 0 | 0 | 0 | 111.4 | V322 S326 K327 | V322-D324 PolarHBondContact O-N 3.47Å; D324-S326 PolarHBondContact O-N 3.02Å; D324-S326 VanDerWaalsContact O-N 3.08Å; D324-K327 PolarHBondContact O-N 3.33Å | ||
| 325 | E | 39.6 | Very low | 56.2 | Low | 195 Ų | 195 | 92.6 Ų | 92.6 | 91% | 0.911 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -19.8 | -179.9 | -72 | -174.9 | 155.3 | 0 | 0 | 114.5 | ||
| 326 | S | 41.6 | Very low | 56.9 | Low | 103 Ų | 103 | 92.1 Ų | 92.1 | 72% | 0.72 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.2 | -175.1 | 64.4 | 0 | 0 | 0 | 0 | 115 | D324 | D324-S326 PolarHBondContact O-N 3.02Å; D324-S326 VanDerWaalsContact O-N 3.08Å |
| 327 | K | 40.3 | Very low | 57.8 | Low | 163 Ų | 163 | 87 Ų | 87 | 71% | 0.709 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -115.1 | 1.4 | -175.9 | -80.1 | -175.2 | 176.1 | 175.6 | 0 | 115.2 | D324 | D324-K327 PolarHBondContact O-N 3.33Š|
| 328 | N | 47.3 | Very low | 58.9 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 31% | 0.31 | 46% | 0.463 | S | S | . | . | trans | -96.5 | 10 | -174.1 | -84 | -2.7 | 0 | 0 | 0 | 116 | ||||
| 329 | S | 53 | Low | 60.3 | Low | 76 Ų | 76 | 84.4 Ų | 84.4 | 53% | 0.531 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.4 | 172 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 330 | F | 69.4 | Low | 62.1 | Low | 114 Ų | 114 | 80.2 Ų | 80.2 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.9 | 170.8 | -63.5 | -80.1 | 0 | 0 | 0 | 109.5 | V315 | V315-F330 PolarHBondContact N-O 2.88Å; V315-F330 PolarHBondContact O-N 3.31Å |
| 331 | L | 77 | Confident | 64.3 | Low | 58 Ų | 58 | 72.8 Ų | 72.8 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139 | 169.9 | -73.1 | 164 | 0 | 0 | 0 | 109.1 | P234 V312 Y313 N314 P347 | P234-L331 HydrophobicContact CB-CD1 3.98Å; P234-L331 HydrophobicContact CG-CD1 4Å; V312-L331 HydrophobicContact CG1-CB 4.46Å; V312-L331 HydrophobicContact CG1-CD2 3.81Å; Y313-L331 WeakPolarHBondContact O-CA 3.47Å; N314-L331 WeakPolarHBondContact OD1-CD2 3.27Å; L331-P347 HydrophobicContact CB-CG 3.54Å; L331-P347 WeakPolarHBondContact O-CD 3.29Å |
| 332 | R | 82.4 | Confident | 66.4 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 13% | 0.125 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.8 | 170.8 | -71.3 | -163 | -172.2 | -177.2 | 20.2 | 110.3 | E48 V312 Y313 V315 Y345 | E48-R332 WeakPolarHBondContact OE1-CD 3.34Å; E48-R332 IonicContact OE1-CZ 3.89Å; E48-R332 IonicContact OE1-NE 2.89Å; E48-R332 PolarHBondContact OE1-NE 3.38Å; E48-R332 IonicContact OE1-NH1 3.72Å; E48-R332 PolarHBondContact OE1-NH1 2.99Å; E48-R332 IonicContact OE1-NH2 3.94Å; V312-R332 CarbonylContact C-O 3.57Å; V312-R332 WeakPolarHBondContact CA-O 3.36Å; Y313-R332 HydrophobicContact CD1-CB 4.01Å; Y313-R332 VanDerWaalsContact CD1-O 3.23Å; Y313-R332 WeakPolarHBondContact CD1-O 3.46Å; Y313-R332 HydrophobicContact CE1-CB 3.35Å; Y313-R332 HydrophobicContact CE2-CB 4.4Å; Y313-R332 PolarHBondContact N-O 2.87Å; Y313-R332 PolarHBondContact O-N 3.46Å; Y313-R332 WeakPolarHBondContact OH-CD 3.18Å; V315-R332 HydrophobicContact CG2-CB 4.47Å; V315-R332 HydrophobicContact CG2-CG 4.03Å; R332-Y345 WeakPolarHBondContact CA-O 3.38Å |
| 333 | L | 83.6 | Confident | 68.7 | Low | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.9 | 174.1 | 171.8 | 71.2 | 0 | 0 | 0 | 108.4 | L255 L281 L310 V312 F344 Y345 P347 | L255-L333 HydrophobicContact CD2-CD1 3.96Å; L255-L333 HydrophobicContact CD2-CD2 3.43Å; L255-L333 VanDerWaalsContact CD2-CD2 3.43Å; L255-L333 HydrophobicContact CD2-CG 4.35Å; L281-L333 HydrophobicContact CD2-CD2 4.26Å; L310-L333 HydrophobicContact CD1-CD1 3.81Å; L310-L333 HydrophobicContact CD1-CG 4.42Å; L310-L333 HydrophobicContact CG-CD1 4.31Å; V312-L333 HydrophobicContact CG2-CB 4.48Å; V312-L333 HydrophobicContact CG2-CD1 3.67Å; L333-F344 CarbonylContact O-C 3.45Å; L333-F344 WeakPolarHBondContact O-CA 3.43Å; L333-Y345 HydrophobicContact CD2-CD2 4.39Å; L333-Y345 PolarHBondContact N-O 2.95Å; L333-Y345 PolarHBondContact O-N 3.35Å; L333-P347 HydrophobicContact CB-CB 4.26Å |
| 334 | I | 87 | Confident | 71 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.1 | 170.5 | -52.6 | -169.4 | 0 | 0 | 0 | 109 | P25 L310 N311 Y313 V336 V342 E343 F344 | P25-I334 HydrophobicContact CB-CD1 3.69Å; P25-I334 HydrophobicContact CG-CD1 3.37Å; L310-I334 WeakPolarHBondContact CA-O 3.42Å; N311-I334 PolarHBondContact N-O 3.4Å; N311-I334 PolarHBondContact O-N 3.16Å; Y313-I334 HydrophobicContact CD1-CD1 3.78Å; Y313-I334 HydrophobicContact CD1-CG1 3.64Å; Y313-I334 HydrophobicContact CE1-CD1 3.39Å; Y313-I334 HydrophobicContact CE1-CG1 3.21Å; I334-V336 HydrophobicContact CG2-CG2 3.93Å; I334-V342 HydrophobicContact CG2-CG1 3.85Å; I334-E343 WeakPolarHBondContact CA-O 3.37Å; I334-F344 HydrophobicContact CD1-CD1 4.08Å; I334-F344 HydrophobicContact CD1-CE1 3.4Å; I334-F344 VanDerWaalsContact CD1-CE1 3.4Å; I334-F344 HydrophobicContact CD1-CZ 4.15Å; I334-F344 HydrophobicContact CG1-CD1 3.74Å; I334-F344 HydrophobicContact CG1-CE1 3.59Å; I334-F344 HydrophobicContact CG1-CZ 4.49Å; I334-F344 HydrophobicContact CG2-CE1 4.43Å |
| 335 | L | 84.2 | Confident | 73 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.8 | 169.2 | -177.2 | 159.8 | 0 | 0 | 0 | 108.7 | L263 I307 L310 R337 V342 E343 Y345 | L263-L335 HydrophobicContact CD1-CD1 4.02Å; I307-L335 HydrophobicContact CD1-CD1 3.96Å; I307-L335 HydrophobicContact CD1-CG 4.39Å; I307-L335 HydrophobicContact CG1-CD1 4.35Å; I307-L335 HydrophobicContact CG1-CD2 4.15Å; I307-L335 HydrophobicContact CG1-CG 4.28Å; I307-L335 HydrophobicContact CG2-CG 4.22Å; L310-L335 HydrophobicContact CD1-CB 4.06Å; L310-L335 HydrophobicContact CD1-CD1 4.36Å; L310-L335 HydrophobicContact CD1-CG 4.24Å; L335-R337 HydrophobicContact CD2-CG 3.65Å; L335-V342 WeakPolarHBondContact O-CA 3.34Å; L335-E343 HydrophobicContact CB-CB 4.34Å; L335-E343 PolarHBondContact N-O 2.83Å; L335-E343 PolarHBondContact O-N 3.42Å; L335-Y345 HydrophobicContact CB-CE2 4.39Å |
| 336 | V | 85.9 | Confident | 74.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.2 | 176.8 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | F17 I23 I307 S308 H309 I334 V342 | F17-V336 HydrophobicContact CE1-CG1 3.48Å; F17-V336 VanDerWaalsContact CE1-CG1 3.48Å; F17-V336 HydrophobicContact CZ-CG1 3.64Å; I23-V336 HydrophobicContact CD1-CG1 4.45Å; I23-V336 HydrophobicContact CD1-CG2 3.84Å; I307-V336 WeakPolarHBondContact CA-O 3.43Å; S308-V336 PolarHBondContact N-O 2.96Å; S308-V336 PolarHBondContact OG-O 3.35Å; H309-V336 HydrophobicContact CB-CB 3.8Å; H309-V336 HydrophobicContact CB-CG2 3.88Å; H309-V336 PolarHBondContact N-O 3.43Å; H309-V336 PolarHBondContact O-N 3.41Å; I334-V336 HydrophobicContact CG2-CG2 3.93Å; V336-V342 HydrophobicContact CG1-CG2 4.29Å; V336-V342 HydrophobicContact CG2-CG1 4.34Å; V336-V342 HydrophobicContact CG2-CG2 4.37Å |
| 337 | R | 83.2 | Confident | 76.2 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 157.2 | 175.9 | -56.7 | -172.3 | -177.3 | -83.6 | -4.4 | 111.3 | S19 G261 H305 S306 L335 S339 N340 H341 E343 | S19-R337 WeakPolarHBondContact CB-O 3.19Å; G261-R337 PolarHBondContact O-NH1 2.9Å; H305-R337 HydrophobicContact CB-CB 4.27Å; S306-R337 WeakPolarHBondContact O-CA 3.48Å; L335-R337 HydrophobicContact CD2-CG 3.65Å; R337-S339 PolarHBondContact O-N 2.97Å; R337-N340 PolarHBondContact O-N 2.91Å; R337-H341 HydrophobicContact CB-CB 4.28Å; R337-H341 PolarHBondContact N-O 3.17Å; R337-E343 IonicContact CZ-OE1 3.44Å; R337-E343 VanDerWaalsContact CZ-OE1 3.31Å; R337-E343 IonicContact NE-OE1 2.62Å; R337-E343 PolarHBondContact NE-OE1 3.25Å; R337-E343 IonicContact NH2-OE1 3.83Å; R337-E343 PolarHBondContact NH2-OE1 2.86Å; R337-E343 IonicContact NH2-OE2 3.22Å; R337-E343 PolarHBondContact NH2-OE2 3.38Å |
| 338 | Q | 79.3 | Confident | 77.5 | Confident | 113 Ų | 113 | 30.3 Ų | 30.3 | 53% | 0.528 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.9 | 173.6 | -169 | 173.9 | -1.9 | 0 | 0 | 113.3 | S19 H305 S306 N340 | S19-Q338 PolarHBondContact OG-O 3.14Å; S19-Q338 VanDerWaalsContact OG-O 3.07Å; H305-Q338 HydrophobicContact CB-CB 4.35Å; S306-Q338 PolarHBondContact O-N 3.4Å; S306-Q338 PolarHBondContact OG-OE1 2.69Å; Q338-N340 PolarHBondContact O-N 3.42Å |
| 339 | S | 76.3 | Confident | 78.5 | Confident | 34 Ų | 34 | 29.7 Ų | 29.7 | 24% | 0.238 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 15.6 | 170.5 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | H305 R337 H341 | H305-S339 WeakPolarHBondContact ND1-CB 3.22Å; R337-S339 PolarHBondContact O-N 2.97Å; S339-H341 PolarHBondContact O-N 3.41Å; S339-H341 VanDerWaalsContact O-N 3.11Å |
| 340 | N | 83.4 | Confident | 79.2 | Confident | 25 Ų | 25 | 26.1 Ų | 26.1 | 13% | 0.134 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 62.6 | 14.4 | -175.6 | -50.6 | -28.7 | 0 | 0 | 0 | 114.1 | F17 S19 R337 Q338 G358 | F17-N340 HydrophobicContact CD1-CB 4.31Å; S19-N340 WeakPolarHBondContact CB-OD1 3.33Å; S19-N340 PolarHBondContact N-OD1 3.4Å; S19-N340 PolarHBondContact OG-OD1 3.39Å; R337-N340 PolarHBondContact O-N 2.91Å; Q338-N340 PolarHBondContact O-N 3.42Å; N340-G358 WeakPolarHBondContact O-CA 3.47Å; N340-G358 PolarHBondContact O-N 3.37Å |
| 341 | H | 83.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.6 | 176.4 | -179.7 | -130.4 | 0 | 0 | 0 | 111 | R337 S339 E343 E355 L357 | R337-H341 HydrophobicContact CB-CB 4.28Å; R337-H341 PolarHBondContact N-O 3.17Å; S339-H341 PolarHBondContact O-N 3.41Å; S339-H341 VanDerWaalsContact O-N 3.11Å; H341-E343 WeakPolarHBondContact CE1-CG 3.35Å; H341-E343 IonicContact CE1-OE1 3.57Å; H341-E343 PolarHBondContact CE1-OE1 2.95Å; H341-E343 IonicContact ND1-OE1 3.6Å; H341-E343 PolarHBondContact ND1-OE1 3.43Å; H341-E343 VanDerWaalsContact ND1-OE1 3.16Å; H341-E355 IonicContact CD2-OE2 3.54Å; H341-E355 IonicContact CE1-OE2 2.99Å; H341-E355 PolarHBondContact CE1-OE2 3.01Å; H341-E355 VanDerWaalsContact CE1-OE2 3.23Å; H341-E355 IonicContact NE2-OE2 2.69Å; H341-E355 PolarHBondContact NE2-OE2 3.24Å; H341-L357 HydrophobicContact CB-CD1 3.61Å |
| 342 | V | 86.3 | Confident | 79 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.8 | -175.3 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | F17 I23 I334 L335 V336 F344 E355 F356 | F17-V342 HydrophobicContact CD1-CG2 3.83Å; F17-V342 HydrophobicContact CE1-CG2 3.87Å; I23-V342 HydrophobicContact CD1-CG1 4.21Å; I23-V342 HydrophobicContact CD1-CG2 3.57Å; I334-V342 HydrophobicContact CG2-CG1 3.85Å; L335-V342 WeakPolarHBondContact O-CA 3.34Å; V336-V342 HydrophobicContact CG1-CG2 4.29Å; V336-V342 HydrophobicContact CG2-CG1 4.34Å; V336-V342 HydrophobicContact CG2-CG2 4.37Å; V342-F344 HydrophobicContact CG1-CD2 4.38Å; V342-F344 HydrophobicContact CG1-CE2 3.63Å; V342-F344 HydrophobicContact CG1-CZ 3.91Å; V342-E355 VanDerWaalsContact O-CA 3.29Å; V342-E355 WeakPolarHBondContact O-CA 3.45Å; V342-E355 WeakPolarHBondContact O-CB 3.25Å; V342-F356 HydrophobicContact CB-CD1 3.94Å; V342-F356 HydrophobicContact CB-CE1 3.59Å; V342-F356 HydrophobicContact CB-CE2 4.37Å; V342-F356 HydrophobicContact CB-CG 4.49Å; V342-F356 HydrophobicContact CB-CZ 3.82Å; V342-F356 HydrophobicContact CG1-CD1 4.24Å; V342-F356 HydrophobicContact CG1-CE1 3.62Å; V342-F356 HydrophobicContact CG1-CZ 4.11Å; V342-F356 HydrophobicContact CG2-CE1 3.98Å; V342-F356 HydrophobicContact CG2-CE2 4.06Å; V342-F356 HydrophobicContact CG2-CZ 3.65Å; V342-F356 PolarHBondContact N-O 3.46Å; V342-F356 PolarHBondContact O-N 3.16Å |
| 343 | E | 84 | Confident | 78.5 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.8 | -177 | -57.6 | 169.9 | -174.3 | 0 | 0 | 109.5 | I334 L335 R337 H341 Y345 L352 | I334-E343 WeakPolarHBondContact CA-O 3.37Å; L335-E343 HydrophobicContact CB-CB 4.34Å; L335-E343 PolarHBondContact N-O 2.83Å; L335-E343 PolarHBondContact O-N 3.42Å; R337-E343 IonicContact CZ-OE1 3.44Å; R337-E343 VanDerWaalsContact CZ-OE1 3.31Å; R337-E343 IonicContact NE-OE1 2.62Å; R337-E343 PolarHBondContact NE-OE1 3.25Å; R337-E343 IonicContact NH2-OE1 3.83Å; R337-E343 PolarHBondContact NH2-OE1 2.86Å; R337-E343 IonicContact NH2-OE2 3.22Å; R337-E343 PolarHBondContact NH2-OE2 3.38Å; H341-E343 WeakPolarHBondContact CE1-CG 3.35Å; H341-E343 IonicContact CE1-OE1 3.57Å; H341-E343 PolarHBondContact CE1-OE1 2.95Å; H341-E343 IonicContact ND1-OE1 3.6Å; H341-E343 PolarHBondContact ND1-OE1 3.43Å; H341-E343 VanDerWaalsContact ND1-OE1 3.16Å; E343-Y345 HydrophobicContact CB-CD2 4.2Å; E343-Y345 HydrophobicContact CB-CE2 3.4Å; E343-Y345 VanDerWaalsContact CD-OH 3.29Å; E343-Y345 HydrophobicContact CG-CE2 4.32Å; E343-Y345 WeakPolarHBondContact OE2-CE2 3.38Å; E343-Y345 VanDerWaalsContact OE2-CZ 3.27Å; E343-Y345 PolarHBondContact OE2-OH 2.79Å; E343-L352 HydrophobicContact CB-CD1 4.09Å |
| 344 | F | 85.1 | Confident | 78 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.6 | 175.9 | -63.9 | -97.9 | 0 | 0 | 0 | 110.1 | I31 F51 Y313 L333 I334 V342 T353 A354 F356 | I31-F344 HydrophobicContact CD1-CE1 4.16Å; I31-F344 HydrophobicContact CD1-CE2 4.35Å; I31-F344 HydrophobicContact CD1-CZ 3.57Å; I31-F344 HydrophobicContact CG1-CZ 4.48Å; F51-F344 HydrophobicContact CE1-CD2 4.49Å; F51-F344 AromaticContact CE1-CE2 3.81Å; F51-F344 HydrophobicContact CE1-CE2 3.81Å; F51-F344 HydrophobicContact CE1-CZ 4.28Å; F51-F344 HydrophobicContact CZ-CD2 4.12Å; F51-F344 AromaticContact CZ-CE2 3.88Å; F51-F344 HydrophobicContact CZ-CE2 3.88Å; Y313-F344 HydrophobicContact CE1-CD1 4.18Å; Y313-F344 HydrophobicContact CE1-CE1 4.28Å; Y313-F344 VanDerWaalsContact OH-CD1 3.26Å; Y313-F344 WeakPolarHBondContact OH-CD1 3.07Å; Y313-F344 VanDerWaalsContact OH-CE1 3.31Å; Y313-F344 WeakPolarHBondContact OH-CE1 3.45Å; L333-F344 CarbonylContact O-C 3.45Å; L333-F344 WeakPolarHBondContact O-CA 3.43Å; I334-F344 HydrophobicContact CD1-CD1 4.08Å; I334-F344 HydrophobicContact CD1-CE1 3.4Å; I334-F344 VanDerWaalsContact CD1-CE1 3.4Å; I334-F344 HydrophobicContact CD1-CZ 4.15Å; I334-F344 HydrophobicContact CG1-CD1 3.74Å; I334-F344 HydrophobicContact CG1-CE1 3.59Å; I334-F344 HydrophobicContact CG1-CZ 4.49Å; I334-F344 HydrophobicContact CG2-CE1 4.43Å; V342-F344 HydrophobicContact CG1-CD2 4.38Å; V342-F344 HydrophobicContact CG1-CE2 3.63Å; V342-F344 HydrophobicContact CG1-CZ 3.91Å; F344-T353 WeakPolarHBondContact CB-OG1 2.93Å; F344-T353 PolarHBondContact O-N 3.06Å; F344-T353 PolarHBondContact O-OG1 3.43Å; F344-A354 WeakPolarHBondContact CA-O 3.28Å; F344-A354 HydrophobicContact CB-CB 4.22Å; F344-A354 WeakPolarHBondContact CB-O 3.38Å; F344-A354 HydrophobicContact CD2-CB 4.2Å; F344-A354 HydrophobicContact CG-CB 4.47Å; F344-A354 PolarHBondContact N-O 2.7Å; F344-A354 PolarHBondContact O-N 2.68Å; F344-F356 AromaticContact CE2-CD1 3.77Å; F344-F356 HydrophobicContact CE2-CD1 3.77Å; F344-F356 AromaticContact CE2-CE1 3.74Å; F344-F356 HydrophobicContact CE2-CE1 3.74Å; F344-F356 HydrophobicContact CZ-CD1 4.49Å; F344-F356 HydrophobicContact CZ-CE1 4.05Å |
| 345 | Y | 79.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 151.4 | 179.1 | -62.8 | -81.9 | 0 | 0 | 0 | 111.8 | P280 L281 R332 L333 L335 E343 P347 K351 L352 | P280-Y345 VanDerWaalsContact CA-OH 3.31Å; P280-Y345 WeakPolarHBondContact CA-OH 3.22Å; P280-Y345 WeakPolarHBondContact CB-OH 3.37Å; L281-Y345 HydrophobicContact CB-CD1 3.57Å; L281-Y345 HydrophobicContact CB-CD2 4.42Å; L281-Y345 HydrophobicContact CB-CE1 3.32Å; L281-Y345 HydrophobicContact CB-CE2 4.16Å; L281-Y345 HydrophobicContact CB-CG 4.13Å; L281-Y345 HydrophobicContact CD2-CD1 3.96Å; L281-Y345 HydrophobicContact CD2-CD2 4.33Å; L281-Y345 HydrophobicContact CD2-CG 3.85Å; L281-Y345 HydrophobicContact CG-CD1 4.25Å; L281-Y345 HydrophobicContact CG-CE1 4.44Å; L281-Y345 PolarHBondContact N-OH 2.87Å; R332-Y345 WeakPolarHBondContact CA-O 3.38Å; L333-Y345 HydrophobicContact CD2-CD2 4.39Å; L333-Y345 PolarHBondContact N-O 2.95Å; L333-Y345 PolarHBondContact O-N 3.35Å; L335-Y345 HydrophobicContact CB-CE2 4.39Å; E343-Y345 HydrophobicContact CB-CD2 4.2Å; E343-Y345 HydrophobicContact CB-CE2 3.4Å; E343-Y345 VanDerWaalsContact CD-OH 3.29Å; E343-Y345 HydrophobicContact CG-CE2 4.32Å; E343-Y345 WeakPolarHBondContact OE2-CE2 3.38Å; E343-Y345 VanDerWaalsContact OE2-CZ 3.27Å; E343-Y345 PolarHBondContact OE2-OH 2.79Å; Y345-P347 WeakPolarHBondContact O-CD 3.26Å; Y345-K351 CarbonylContact C-O 3.54Å; Y345-K351 VanDerWaalsContact CA-O 3.28Å; Y345-K351 WeakPolarHBondContact CA-O 3.47Å; Y345-L352 HydrophobicContact CD1-CB 4.04Å; Y345-L352 HydrophobicContact CD1-CD1 4Å; Y345-L352 HydrophobicContact CE1-CB 3.72Å; Y345-L352 HydrophobicContact CE1-CD1 3.49Å; Y345-L352 VanDerWaalsContact CE1-CD1 3.49Å; Y345-L352 HydrophobicContact CE1-CG 4.2Å; Y345-L352 HydrophobicContact CE2-CD1 4.26Å |
| 346 | D | 75.7 | Confident | 77.7 | Confident | 47 Ų | 47 | 21.2 Ų | 21.2 | 25% | 0.251 | 11% | 0.113 | S | C | . | . | trans | -73.3 | 117.2 | 156.7 | -177.9 | -19.2 | 0 | 0 | 0 | 107.5 | M348 V349 G350 K351 T353 | D346-M348 PolarHBondContact O-N 2.95Å; D346-M348 WeakPolarHBondContact OD1-CB 3.49Å; D346-M348 PolarHBondContact OD1-N 2.77Å; D346-V349 HydrophobicContact CB-CB 4.36Å; D346-V349 WeakPolarHBondContact OD2-CG2 3.45Å; D346-G350 WeakPolarHBondContact O-CA 3.46Å; D346-G350 PolarHBondContact O-N 3.11Å; D346-K351 PolarHBondContact N-O 3.1Å; D346-T353 HydrophobicContact CB-CG2 4.03Å | ||
| 347 | P | 73.3 | Confident | 77.5 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -24.2 | -179.8 | 25.3 | -30.2 | 0 | 0 | 0 | 113 | L233 P234 A237 L238 L331 L333 Y345 | L233-P347 HydrophobicContact CD2-CB 4.34Å; P234-P347 HydrophobicContact CG-CB 4.19Å; P234-P347 HydrophobicContact CG-CG 4.39Å; A237-P347 WeakPolarHBondContact CA-O 3.05Å; A237-P347 WeakPolarHBondContact CB-O 3.49Å; L238-P347 PolarHBondContact N-O 2.97Å; L238-P347 VanDerWaalsContact N-O 3.14Å; L331-P347 HydrophobicContact CB-CG 3.54Å; L331-P347 WeakPolarHBondContact O-CD 3.29Å; L333-P347 HydrophobicContact CB-CB 4.26Å; Y345-P347 WeakPolarHBondContact O-CD 3.26Å |
| 348 | M | 68.7 | Low | 77.2 | Confident | 56 Ų | 56 | 21 Ų | 21 | 28% | 0.276 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -42.9 | -178.4 | -60.2 | -59 | -68.8 | 0 | 0 | 111.8 | P234 G236 L238 T239 F247 D346 | P234-M348 HydrophobicContact CB-SD 4.15Å; P234-M348 HydrophobicContact CG-SD 3.73Å; G236-M348 WeakPolarHBondContact O-CE 3.39Å; L238-M348 PolarHBondContact N-O 2.85Å; L238-M348 VanDerWaalsContact N-O 3.1Å; T239-M348 PolarHBondContact N-O 2.87Å; T239-M348 PolarHBondContact OG1-O 3.26Å; F247-M348 HydrophobicContact CE2-CE 4.43Å; D346-M348 PolarHBondContact O-N 2.95Å; D346-M348 WeakPolarHBondContact OD1-CB 3.49Å; D346-M348 PolarHBondContact OD1-N 2.77Å |
| 349 | V | 67.3 | Low | 77.3 | Confident | 44 Ų | 44 | 17.4 Ų | 17.4 | 27% | 0.267 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -26.4 | -177.2 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | N240 D346 K351 | N240-V349 VanDerWaalsContact CB-O 3.32Å; N240-V349 WeakPolarHBondContact CB-O 3.35Å; N240-V349 VanDerWaalsContact CG-O 3.23Å; N240-V349 VanDerWaalsContact ND2-CG1 3.27Å; N240-V349 WeakPolarHBondContact ND2-CG1 3.33Å; N240-V349 PolarHBondContact ND2-O 3.12Å; N240-V349 VanDerWaalsContact ND2-O 3.09Å; D346-V349 HydrophobicContact CB-CB 4.36Å; D346-V349 WeakPolarHBondContact OD2-CG2 3.45Å; V349-K351 HydrophobicContact CB-CB 4.2Å; V349-K351 HydrophobicContact CG1-CB 3.84Å |
| 350 | G | 67.6 | Low | 77.6 | Confident | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | trans | 74.3 | 9.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L281 D346 | L281-G350 CarbonylContact C-O 3.55Å; L281-G350 WeakPolarHBondContact CG-O 3.43Å; D346-G350 WeakPolarHBondContact O-CA 3.46Å; D346-G350 PolarHBondContact O-N 3.11Å | ||
| 351 | K | 70.2 | Confident | 77.7 | Confident | 41 Ų | 41 | 15.3 Ų | 15.3 | 18% | 0.178 | 9% | 0.087 | C | C | . | . | trans | -77.6 | 138.7 | -177.4 | -169.2 | 175.7 | -166 | 178.9 | 0 | 111 | Y345 D346 V349 T353 K469 N470 | Y345-K351 CarbonylContact C-O 3.54Å; Y345-K351 VanDerWaalsContact CA-O 3.28Å; Y345-K351 WeakPolarHBondContact CA-O 3.47Å; D346-K351 PolarHBondContact N-O 3.1Å; V349-K351 HydrophobicContact CB-CB 4.2Å; V349-K351 HydrophobicContact CG1-CB 3.84Å; K351-T353 PolarHBondContact O-N 3.44Å; K351-K469 WeakPolarHBondContact CE-O 3.2Å; K351-K469 PolarHBondContact NZ-O 3.08Å; K351-N470 PolarHBondContact NZ-OD1 3.09Å | ||
| 352 | L | 71.2 | Confident | 78 | Confident | 13 Ų | 13 | 17.7 Ų | 17.7 | 7% | 0.068 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 119.3 | 173.9 | -174.5 | 70.3 | 0 | 0 | 0 | 108.9 | D282 E343 Y345 A354 E355 V471 | D282-L352 HydrophobicContact CB-CB 3.86Å; D282-L352 WeakPolarHBondContact OD2-CB 3.4Å; D282-L352 PolarHBondContact OD2-N 3.29Å; D282-L352 VanDerWaalsContact OD2-N 3.11Å; E343-L352 HydrophobicContact CB-CD1 4.09Å; Y345-L352 HydrophobicContact CD1-CB 4.04Å; Y345-L352 HydrophobicContact CD1-CD1 4Å; Y345-L352 HydrophobicContact CE1-CB 3.72Å; Y345-L352 HydrophobicContact CE1-CD1 3.49Å; Y345-L352 VanDerWaalsContact CE1-CD1 3.49Å; Y345-L352 HydrophobicContact CE1-CG 4.2Å; Y345-L352 HydrophobicContact CE2-CD1 4.26Å; L352-A354 WeakPolarHBondContact CD1-O 3.14Å; L352-E355 HydrophobicContact CD1-CB 4.39Å; L352-E355 HydrophobicContact CD2-CG 4.02Å; L352-V471 HydrophobicContact CD2-CG2 4.44Å |
| 353 | T | 72.1 | Confident | 78.3 | Confident | 42 Ų | 42 | 17.7 Ų | 17.7 | 26% | 0.258 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -36.9 | -179 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | F344 D346 K351 | F344-T353 WeakPolarHBondContact CB-OG1 2.93Å; F344-T353 PolarHBondContact O-N 3.06Å; F344-T353 PolarHBondContact O-OG1 3.43Å; D346-T353 HydrophobicContact CB-CG2 4.03Å; K351-T353 PolarHBondContact O-N 3.44Å |
| 354 | A | 75 | Confident | 78.7 | Confident | 7 Ų | 7 | 19.4 Ų | 19.4 | 6% | 0.058 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 156.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F51 F344 L352 | F51-A354 HydrophobicContact CE2-CB 3.92Å; F51-A354 HydrophobicContact CZ-CB 3.74Å; F344-A354 WeakPolarHBondContact CA-O 3.28Å; F344-A354 HydrophobicContact CB-CB 4.22Å; F344-A354 WeakPolarHBondContact CB-O 3.38Å; F344-A354 HydrophobicContact CD2-CB 4.2Å; F344-A354 HydrophobicContact CG-CB 4.47Å; F344-A354 PolarHBondContact N-O 2.7Å; F344-A354 PolarHBondContact O-N 2.68Å; L352-A354 WeakPolarHBondContact CD1-O 3.14Å |
| 355 | E | 81.6 | Confident | 79.2 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150.7 | 165.5 | 51.3 | 177.4 | 168.1 | 0 | 0 | 109.8 | H341 V342 L352 C416 H417 | H341-E355 IonicContact CD2-OE2 3.54Å; H341-E355 IonicContact CE1-OE2 2.99Å; H341-E355 PolarHBondContact CE1-OE2 3.01Å; H341-E355 VanDerWaalsContact CE1-OE2 3.23Å; H341-E355 IonicContact NE2-OE2 2.69Å; H341-E355 PolarHBondContact NE2-OE2 3.24Å; V342-E355 VanDerWaalsContact O-CA 3.29Å; V342-E355 WeakPolarHBondContact O-CA 3.45Å; V342-E355 WeakPolarHBondContact O-CB 3.25Å; L352-E355 HydrophobicContact CD1-CB 4.39Å; L352-E355 HydrophobicContact CD2-CG 4.02Å; E355-C416 WeakPolarHBondContact CG-O 3.05Å; E355-H417 HydrophobicContact CG-CB 4.46Å; E355-H417 WeakPolarHBondContact CG-ND1 3.34Å; E355-H417 WeakPolarHBondContact OE1-CA 3.33Å; E355-H417 WeakPolarHBondContact OE1-CB 3.46Å; E355-H417 IonicContact OE1-CE1 3.29Å; E355-H417 IonicContact OE1-CG 3.79Å; E355-H417 IonicContact OE1-ND1 3.46Å; E355-H417 PolarHBondContact OE1-ND1 2.85Å |
| 356 | F | 82.9 | Confident | 79.8 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.009 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 160.6 | 167.3 | 78 | -88.3 | 0 | 0 | 0 | 109.5 | F17 I31 L46 F51 V342 F344 | F17-F356 HydrophobicContact CB-CE2 4.37Å; I31-F356 HydrophobicContact CD1-CE1 4.47Å; L46-F356 HydrophobicContact CD1-CD2 4.47Å; L46-F356 HydrophobicContact CD1-CE2 3.9Å; L46-F356 HydrophobicContact CD1-CZ 3.96Å; F51-F356 HydrophobicContact CB-CB 4.19Å; F51-F356 HydrophobicContact CD1-CB 4.01Å; F51-F356 AromaticContact CD1-CD1 3.41Å; F51-F356 HydrophobicContact CD1-CD1 3.41Å; F51-F356 VanDerWaalsContact CD1-CD1 3.41Å; F51-F356 HydrophobicContact CD1-CE1 4.02Å; F51-F356 AromaticContact CD1-CG 3.84Å; F51-F356 HydrophobicContact CD1-CG 3.84Å; F51-F356 HydrophobicContact CD2-CB 3.8Å; F51-F356 HydrophobicContact CE1-CB 4.32Å; F51-F356 AromaticContact CE1-CD1 3.29Å; F51-F356 HydrophobicContact CE1-CD1 3.29Å; F51-F356 AromaticContact CE1-CE1 3.88Å; F51-F356 HydrophobicContact CE1-CE1 3.88Å; F51-F356 HydrophobicContact CE1-CG 4.11Å; F51-F356 HydrophobicContact CE2-CB 4.11Å; F51-F356 HydrophobicContact CE2-CD1 4.43Å; F51-F356 HydrophobicContact CG-CB 3.74Å; F51-F356 HydrophobicContact CG-CD1 4.06Å; F51-F356 HydrophobicContact CG-CG 4.06Å; F51-F356 HydrophobicContact CZ-CB 4.36Å; F51-F356 AromaticContact CZ-CD1 3.85Å; F51-F356 HydrophobicContact CZ-CD1 3.85Å; V342-F356 HydrophobicContact CB-CD1 3.94Å; V342-F356 HydrophobicContact CB-CE1 3.59Å; V342-F356 HydrophobicContact CB-CE2 4.37Å; V342-F356 HydrophobicContact CB-CG 4.49Å; V342-F356 HydrophobicContact CB-CZ 3.82Å; V342-F356 HydrophobicContact CG1-CD1 4.24Å; V342-F356 HydrophobicContact CG1-CE1 3.62Å; V342-F356 HydrophobicContact CG1-CZ 4.11Å; V342-F356 HydrophobicContact CG2-CE1 3.98Å; V342-F356 HydrophobicContact CG2-CE2 4.06Å; V342-F356 HydrophobicContact CG2-CZ 3.65Å; V342-F356 PolarHBondContact N-O 3.46Å; V342-F356 PolarHBondContact O-N 3.16Å; F344-F356 AromaticContact CE2-CD1 3.77Å; F344-F356 HydrophobicContact CE2-CD1 3.77Å; F344-F356 AromaticContact CE2-CE1 3.74Å; F344-F356 HydrophobicContact CE2-CE1 3.74Å; F344-F356 HydrophobicContact CZ-CD1 4.49Å; F344-F356 HydrophobicContact CZ-CE1 4.05Å |
| 357 | L | 81.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 18.9 Ų | 18.9 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.8 | 175.8 | -169 | 64.7 | 0 | 0 | 0 | 109.1 | H341 D359 I360 K386 C416 | H341-L357 HydrophobicContact CB-CD1 3.61Å; L357-D359 VanDerWaalsContact C-N 3.26Å; L357-D359 WeakPolarHBondContact CD2-O 3.47Å; L357-D359 WeakPolarHBondContact CG-O 3.28Å; L357-D359 PolarHBondContact O-N 3.28Å; L357-I360 HydrophobicContact CD2-CG2 4.01Å; L357-K386 HydrophobicContact CD2-CD 3.35Å; L357-K386 HydrophobicContact CD2-CG 4.37Å; L357-C416 HydrophobicContact CB-CB 4.49Å |
| 358 | G | 77.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -67.4 | -27.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | P15 C16 F17 N340 | P15-G358 CarbonylContact C-O 3.48Å; P15-G358 VanDerWaalsContact CA-O 3.25Å; P15-G358 WeakPolarHBondContact CA-O 3.22Å; P15-G358 WeakPolarHBondContact CB-O 3.25Å; C16-G358 PolarHBondContact N-O 3.5Å; F17-G358 PolarHBondContact N-O 3.06Å; F17-G358 VanDerWaalsContact N-O 3.15Å; F17-G358 CarbonylContact O-C 3.45Å; N340-G358 WeakPolarHBondContact O-CA 3.47Å; N340-G358 PolarHBondContact O-N 3.37Å |
| 359 | D | 80.6 | Confident | 82.5 | Confident | 36 Ų | 36 | 17 Ų | 17 | 19% | 0.193 | 10% | 0.095 | C | C | . | . | trans | -150.4 | 133.7 | 174.9 | -175.7 | 8.3 | 0 | 0 | 0 | 111.9 | P15 L357 G361 | P15-D359 HydrophobicContact CB-CB 3.89Å; P15-D359 WeakPolarHBondContact CB-OD1 3.44Å; P15-D359 WeakPolarHBondContact CG-OD1 3.33Å; L357-D359 VanDerWaalsContact C-N 3.26Å; L357-D359 WeakPolarHBondContact CD2-O 3.47Å; L357-D359 WeakPolarHBondContact CG-O 3.28Å; L357-D359 PolarHBondContact O-N 3.28Å; D359-G361 PolarHBondContact OD1-N 2.85Å | ||
| 360 | I | 82.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -94.9 | -4.1 | -177.3 | 57.4 | 172.6 | 0 | 0 | 0 | 113.9 | F13 L357 V363 L378 D380 K386 F388 E706 L708 | F13-I360 HydrophobicContact CD1-CD1 3.52Å; F13-I360 HydrophobicContact CD1-CG1 4.06Å; F13-I360 HydrophobicContact CD1-CG2 4.35Å; F13-I360 HydrophobicContact CE1-CB 4.19Å; F13-I360 HydrophobicContact CE1-CD1 3.69Å; F13-I360 HydrophobicContact CE1-CG1 3.73Å; F13-I360 HydrophobicContact CE1-CG2 3.51Å; F13-I360 HydrophobicContact CZ-CG2 3.98Å; L357-I360 HydrophobicContact CD2-CG2 4.01Å; I360-V363 HydrophobicContact CD1-CG2 3.74Å; I360-V363 HydrophobicContact CG1-CG2 4.29Å; I360-L378 HydrophobicContact CG2-CD2 4.49Å; I360-D380 WeakPolarHBondContact O-CB 3.33Å; I360-D380 VanDerWaalsContact O-CG 3.27Å; I360-K386 VanDerWaalsContact C-NZ 3.27Å; I360-K386 VanDerWaalsContact CA-NZ 3.29Å; I360-K386 HydrophobicContact CG2-CD 4.25Å; I360-K386 PolarHBondContact O-NZ 3.21Å; I360-F388 HydrophobicContact CG2-CE2 4.49Å; I360-F388 HydrophobicContact CG2-CZ 4.2Å; I360-E706 WeakPolarHBondContact CD1-O 3Å; I360-E706 WeakPolarHBondContact CG1-O 3.34Å; I360-L708 HydrophobicContact CD1-CD1 3.74Å; I360-L708 HydrophobicContact CD1-CD2 4.33Å; I360-L708 HydrophobicContact CD1-CG 3.55Å | ||
| 361 | G | 85.1 | Confident | 83.9 | Confident | 16 Ų | 16 | 19.4 Ų | 19.4 | 17% | 0.165 | 10% | 0.102 | C | C | . | . | trans | 62.9 | 174.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D359 V363 E706 | D359-G361 PolarHBondContact OD1-N 2.85Å; G361-V363 PolarHBondContact O-N 2.9Å; G361-E706 WeakPolarHBondContact O-CA 3.44Å | ||
| 362 | Q | 90 | Very high | 84.1 | Confident | 51 Ų | 51 | 22 Ų | 22 | 24% | 0.238 | 12% | 0.118 | C | C | . | . | trans | -57.1 | 127.1 | 176.7 | 163.8 | 178.4 | -23.1 | 0 | 0 | 110.4 | D364 D380 A381 W688 | Q362-D364 PolarHBondContact NE2-OD1 3.06Å; Q362-D364 PolarHBondContact O-N 2.8Å; Q362-D380 CarbonylContact O-C 3.19Å; Q362-D380 WeakPolarHBondContact O-CA 3.31Å; Q362-D380 VanDerWaalsContact O-CB 3.29Å; Q362-D380 WeakPolarHBondContact O-CB 3.41Å; Q362-A381 HydrophobicContact CB-CB 4.48Å; Q362-A381 PolarHBondContact O-N 3.02Å; Q362-A381 VanDerWaalsContact O-N 3.07Å; Q362-W688 VanDerWaalsContact NE2-CE2 3.31Å | ||
| 363 | V | 93.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 96.6 | -175 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | I360 G361 L366 L378 G703 L708 | I360-V363 HydrophobicContact CD1-CG2 3.74Å; I360-V363 HydrophobicContact CG1-CG2 4.29Å; G361-V363 PolarHBondContact O-N 2.9Å; V363-L366 HydrophobicContact CG1-CD1 4.08Å; V363-L366 HydrophobicContact CG1-CD2 3.85Å; V363-L366 HydrophobicContact CG1-CG 3.64Å; V363-L378 HydrophobicContact CG1-CB 4.4Å; V363-G703 PolarHBondContact N-O 2.92Å; V363-L708 HydrophobicContact CB-CD2 4.43Å; V363-L708 HydrophobicContact CG1-CD2 3.96Å; V363-L708 HydrophobicContact CG2-CD2 3.93Å |
| 364 | D | 92.9 | Very high | 85 | Confident | 35 Ų | 35 | 23.1 Ų | 23.1 | 19% | 0.187 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -38 | -176.9 | -70.6 | -34.6 | 0 | 0 | 0 | 112.5 | Q362 A379 | Q362-D364 PolarHBondContact NE2-OD1 3.06Å; Q362-D364 PolarHBondContact O-N 2.8Å; D364-A379 PolarHBondContact N-O 3.03Å |
| 365 | Q | 94.1 | Very high | 85.6 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 8% | 0.084 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 141.9 | 179.2 | -172.1 | 71.8 | -23 | 0 | 0 | 113.1 | L378 A379 D429 L430 | Q365-L378 WeakPolarHBondContact O-CA 3.15Å; Q365-A379 HydrophobicContact CB-CB 4.34Å; Q365-A379 PolarHBondContact N-O 3.3Å; Q365-A379 VanDerWaalsContact N-O 3.09Å; Q365-A379 PolarHBondContact O-N 3.35Å; Q365-D429 PolarHBondContact NE2-OD1 3.1Å; Q365-L430 HydrophobicContact CB-CB 4.27Å; Q365-L430 HydrophobicContact CG-CB 3.58Å; Q365-L430 PolarHBondContact NE2-O 3.3Å |
| 366 | L | 94.2 | Very high | 86.1 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.8 | 177.2 | -75.4 | 169.2 | 0 | 0 | 0 | 110.9 | V363 L376 L378 S689 A691 G702 L708 | V363-L366 HydrophobicContact CG1-CD1 4.08Å; V363-L366 HydrophobicContact CG1-CD2 3.85Å; V363-L366 HydrophobicContact CG1-CG 3.64Å; L366-L376 HydrophobicContact CD2-CD1 4.1Å; L366-L376 HydrophobicContact CD2-CD2 4.37Å; L366-L376 HydrophobicContact CD2-CG 4.23Å; L366-L378 HydrophobicContact CD2-CB 3.52Å; L366-S689 WeakPolarHBondContact CD1-OG 3.49Å; L366-S689 WeakPolarHBondContact CG-OG 3.44Å; L366-A691 HydrophobicContact CB-CB 4.16Å; L366-G702 VanDerWaalsContact CD1-N 3.27Å; L366-L708 HydrophobicContact CD1-CD2 3.7Å; L366-L708 HydrophobicContact CD2-CD2 3.62Å; L366-L708 HydrophobicContact CG-CD2 4.18Å |
| 367 | C | 92.6 | Very high | 86.5 | Confident | 13 Ų | 13 | 22.9 Ų | 22.9 | 9% | 0.088 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 154.1 | 172.1 | 68.8 | 0 | 0 | 0 | 0 | 111.8 | I377 L430 V432 | C367-I377 PolarHBondContact N-O 3Å; C367-I377 PolarHBondContact O-N 3.47Å; C367-L430 HydrophobicContact CB-CD2 4.47Å; C367-L430 WeakPolarHBondContact SG-CD2 3.46Å; C367-V432 HydrophobicContact CB-CG2 3.53Å; C367-V432 WeakPolarHBondContact SG-CG2 3.25Å |
| 368 | I | 92 | Very high | 87.1 | Confident | 18 Ų | 18 | 22.5 Ų | 22.5 | 9% | 0.092 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.1 | 176.7 | -60.5 | 169.3 | 0 | 0 | 0 | 108 | H373 Y375 L376 L394 A691 F700 | I368-H373 HydrophobicContact CG2-CB 3.76Å; I368-H373 WeakPolarHBondContact CG2-O 3.42Å; I368-Y375 CarbonylContact C-O 3.48Å; I368-Y375 WeakPolarHBondContact CA-O 2.99Å; I368-L376 HydrophobicContact CG1-CD1 4.07Å; I368-L394 HydrophobicContact CD1-CD1 4.35Å; I368-L394 HydrophobicContact CD1-CD2 4.49Å; I368-L394 HydrophobicContact CG1-CD1 4.29Å; I368-L394 HydrophobicContact CG2-CD1 3.88Å; I368-A691 HydrophobicContact CD1-CB 4.32Å; I368-A691 HydrophobicContact CG1-CB 4.2Å; I368-F700 HydrophobicContact CD1-CD2 4.14Å; I368-F700 HydrophobicContact CD1-CE2 4.34Å |
| 369 | A | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 169.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H373 N374 Y375 I377 V432 I439 L453 | A369-H373 CarbonylContact O-C 2.94Å; A369-H373 WeakPolarHBondContact O-CA 3.48Å; A369-N374 PolarHBondContact O-N 3.47Å; A369-Y375 PolarHBondContact N-O 3.34Å; A369-Y375 PolarHBondContact O-N 2.55Å; A369-Y375 VanDerWaalsContact O-N 3.08Å; A369-I377 HydrophobicContact CB-CD1 3.58Å; A369-I377 HydrophobicContact CB-CG1 4.26Å; A369-V432 HydrophobicContact CB-CG1 4.12Å; A369-V432 HydrophobicContact CB-CG2 4.39Å; A369-I439 HydrophobicContact CB-CD1 4.24Å; A369-I439 HydrophobicContact CB-CG1 4.46Å; A369-L453 HydrophobicContact CB-CD2 4.11Å |
| 370 | G | 84.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 106.7 | 154.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N372 H373 G436 L453 E455 | G370-N372 PolarHBondContact O-N 2.84Å; G370-H373 PolarHBondContact O-N 3.11Å; G370-G436 PolarHBondContact N-O 3.3Å; G370-L453 VanDerWaalsContact CA-CD2 3.47Å; G370-E455 WeakPolarHBondContact CA-OE1 3.45Å |
| 371 | K | 78.1 | Confident | 88.4 | Confident | 96 Ų | 96 | 23.9 Ų | 23.9 | 42% | 0.417 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -41.4 | 176.1 | -69.4 | 177.5 | -177 | 168.7 | 0 | 111 | Q437 E455 | K371-Q437 HydrophobicContact CG-CG 4.24Å; K371-Q437 VanDerWaalsContact CG-NE2 3.32Å; K371-E455 WeakPolarHBondContact CD-OE2 3.24Å; K371-E455 WeakPolarHBondContact CG-OE2 3.31Å; K371-E455 PolarHBondContact N-OE1 2.78Å |
| 372 | N | 76.1 | Confident | 88.4 | Confident | 96 Ų | 96 | 24.3 Ų | 24.3 | 51% | 0.513 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 2.3 | 177.5 | -67.3 | -16.7 | 0 | 0 | 0 | 113.1 | G370 N374 | G370-N372 PolarHBondContact O-N 2.84Å; N372-N374 WeakPolarHBondContact CB-ND2 3.47Å; N372-N374 PolarHBondContact O-OD1 2.93Å; N372-N374 VanDerWaalsContact O-OD1 3.06Å |
| 373 | H | 79.1 | Confident | 88 | Confident | 56 Ų | 56 | 23.3 Ų | 23.3 | 26% | 0.259 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 58 | 44.8 | -175.1 | -57.2 | 87.2 | 0 | 0 | 0 | 113.1 | I368 A369 G370 L394 P694 | I368-H373 HydrophobicContact CG2-CB 3.76Å; I368-H373 WeakPolarHBondContact CG2-O 3.42Å; A369-H373 CarbonylContact O-C 2.94Å; A369-H373 WeakPolarHBondContact O-CA 3.48Å; G370-H373 PolarHBondContact O-N 3.11Å; H373-L394 WeakPolarHBondContact O-CD2 3.34Å; H373-P694 HydrophobicContact CB-CG 3.6Å; H373-P694 WeakPolarHBondContact CD2-CG 3.4Å |
| 374 | N | 82.9 | Confident | 87.6 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | trans | -97.4 | -2.4 | -173.5 | -70.1 | -6.6 | 0 | 0 | 0 | 113.7 | A369 N372 N390 P391 L394 | A369-N374 PolarHBondContact O-N 3.47Å; N372-N374 WeakPolarHBondContact CB-ND2 3.47Å; N372-N374 PolarHBondContact O-OD1 2.93Å; N372-N374 VanDerWaalsContact O-OD1 3.06Å; N374-N390 WeakPolarHBondContact O-CA 3.36Å; N374-N390 PolarHBondContact O-N 3.06Å; N374-P391 WeakPolarHBondContact O-CD 3.37Å; N374-L394 PolarHBondContact OD1-O 3.33Å | ||
| 375 | Y | 87.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 22.9 Ų | 22.9 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.8 | -173.5 | -51 | -63.1 | 0 | 0 | 0 | 110.7 | I368 A369 I387 L389 L453 E455 V473 | I368-Y375 CarbonylContact C-O 3.48Å; I368-Y375 WeakPolarHBondContact CA-O 2.99Å; A369-Y375 PolarHBondContact N-O 3.34Å; A369-Y375 PolarHBondContact O-N 2.55Å; A369-Y375 VanDerWaalsContact O-N 3.08Å; Y375-I387 HydrophobicContact CG-CD1 4.32Å; Y375-L389 HydrophobicContact CD1-CD2 3.74Å; Y375-L389 HydrophobicContact CE1-CD2 3.77Å; Y375-L453 HydrophobicContact CD2-CD2 3.93Å; Y375-L453 HydrophobicContact CE2-CD2 4.48Å; Y375-E455 HydrophobicContact CE2-CG 3.93Å; Y375-E455 WeakPolarHBondContact CE2-OE1 3.28Å; Y375-V473 HydrophobicContact CD1-CG2 3.89Å; Y375-V473 HydrophobicContact CD2-CG2 4.23Å; Y375-V473 HydrophobicContact CE1-CB 4.48Å; Y375-V473 HydrophobicContact CE1-CG2 3.22Å; Y375-V473 HydrophobicContact CE2-CG2 3.59Å; Y375-V473 HydrophobicContact CG-CG2 4.35Å; Y375-V473 WeakPolarHBondContact OH-CG2 3.4Å |
| 376 | L | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.9 | 173.5 | 177.5 | 74 | 0 | 0 | 0 | 108.1 | L366 I368 I387 F388 P391 F700 L708 | L366-L376 HydrophobicContact CD2-CD1 4.1Å; L366-L376 HydrophobicContact CD2-CD2 4.37Å; L366-L376 HydrophobicContact CD2-CG 4.23Å; I368-L376 HydrophobicContact CG1-CD1 4.07Å; L376-I387 CarbonylContact O-C 3.5Å; L376-I387 WeakPolarHBondContact O-CA 3.28Å; L376-F388 HydrophobicContact CB-CB 4.17Å; L376-F388 HydrophobicContact CD2-CD2 4.48Å; L376-F388 PolarHBondContact N-O 3.05Å; L376-F388 PolarHBondContact O-N 2.93Å; L376-P391 HydrophobicContact CB-CG 3.87Å; L376-F700 HydrophobicContact CD1-CB 4.35Å; L376-F700 HydrophobicContact CD1-CD2 4.22Å; L376-F700 HydrophobicContact CD1-CG 4.18Å; L376-F700 HydrophobicContact CD2-CD1 3.88Å; L376-F700 HydrophobicContact CD2-CE1 4.15Å; L376-F700 HydrophobicContact CD2-CG 4.17Å; L376-L708 HydrophobicContact CD2-CD1 4.31Å |
| 377 | I | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.1 | 176.6 | -55.5 | 170.5 | 0 | 0 | 0 | 108.1 | C367 A369 M385 K386 I387 L430 I439 | C367-I377 PolarHBondContact N-O 3Å; C367-I377 PolarHBondContact O-N 3.47Å; A369-I377 HydrophobicContact CB-CD1 3.58Å; A369-I377 HydrophobicContact CB-CG1 4.26Å; I377-M385 HydrophobicContact CG2-CB 4.36Å; I377-M385 HydrophobicContact CG2-SD 4.35Å; I377-K386 CarbonylContact C-O 3.51Å; I377-K386 WeakPolarHBondContact CA-O 3.13Å; I377-I387 HydrophobicContact CD1-CD1 4.35Å; I377-I387 HydrophobicContact CG1-CB 4.25Å; I377-I387 HydrophobicContact CG1-CD1 3.98Å; I377-I387 HydrophobicContact CG1-CG1 3.88Å; I377-L430 HydrophobicContact CB-CD2 4.36Å; I377-L430 HydrophobicContact CG2-CD2 3.74Å; I377-I439 HydrophobicContact CD1-CD1 3.87Å; I377-I439 HydrophobicContact CD1-CG1 3.95Å |
| 378 | L | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.3 | 177.2 | 79.5 | 91.8 | 0 | 0 | 0 | 111.5 | I360 V363 Q365 L366 D380 M385 K386 F388 L708 | I360-L378 HydrophobicContact CG2-CD2 4.49Å; V363-L378 HydrophobicContact CG1-CB 4.4Å; Q365-L378 WeakPolarHBondContact O-CA 3.15Å; L366-L378 HydrophobicContact CD2-CB 3.52Å; L378-D380 HydrophobicContact CD1-CB 3.95Å; L378-M385 WeakPolarHBondContact O-CA 3.43Å; L378-K386 HydrophobicContact CD1-CB 4.11Å; L378-K386 HydrophobicContact CD1-CD 3.73Å; L378-K386 HydrophobicContact CD1-CG 4.12Å; L378-K386 HydrophobicContact CD2-CB 3.93Å; L378-K386 HydrophobicContact CD2-CD 4.28Å; L378-K386 HydrophobicContact CG-CB 3.79Å; L378-K386 HydrophobicContact CG-CD 4.27Å; L378-K386 HydrophobicContact CG-CG 4.37Å; L378-K386 PolarHBondContact N-O 3.18Å; L378-K386 PolarHBondContact O-N 3.38Å; L378-F388 HydrophobicContact CD2-CD2 3.8Å; L378-F388 HydrophobicContact CD2-CE2 3.31Å; L378-F388 HydrophobicContact CD2-CZ 4.44Å; L378-L708 HydrophobicContact CD2-CD1 4.21Å |
| 379 | A | 92 | Very high | 85.8 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | D364 Q365 I427 | D364-A379 PolarHBondContact N-O 3.03Å; Q365-A379 HydrophobicContact CB-CB 4.34Å; Q365-A379 PolarHBondContact N-O 3.3Å; Q365-A379 VanDerWaalsContact N-O 3.09Å; Q365-A379 PolarHBondContact O-N 3.35Å; A379-I427 HydrophobicContact CB-CB 3.78Å; A379-I427 HydrophobicContact CB-CD1 4.33Å; A379-I427 HydrophobicContact CB-CG2 3.77Å |
| 380 | D | 89 | Confident | 85 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -172.1 | 176 | 66.7 | -35.3 | 0 | 0 | 0 | 111 | I360 Q362 L378 S382 K386 | I360-D380 WeakPolarHBondContact O-CB 3.33Å; I360-D380 VanDerWaalsContact O-CG 3.27Å; Q362-D380 CarbonylContact O-C 3.19Å; Q362-D380 WeakPolarHBondContact O-CA 3.31Å; Q362-D380 VanDerWaalsContact O-CB 3.29Å; Q362-D380 WeakPolarHBondContact O-CB 3.41Å; L378-D380 HydrophobicContact CD1-CB 3.95Å; D380-S382 PolarHBondContact O-N 2.71Å; D380-S382 VanDerWaalsContact OD1-CB 3.25Å; D380-S382 WeakPolarHBondContact OD1-CB 3.45Å; D380-S382 PolarHBondContact OD1-N 3.18Å; D380-S382 PolarHBondContact OD1-OG 3.36Å; D380-S382 WeakPolarHBondContact OD2-CB 3.46Å; D380-S382 PolarHBondContact OD2-OG 3.26Å; D380-K386 IonicContact OD1-NZ 2.69Å; D380-K386 WeakPolarHBondContact OD2-CE 3.35Å; D380-K386 IonicContact OD2-NZ 2.7Å; D380-K386 PolarHBondContact OD2-NZ 3.46Å |
| 381 | A | 87 | Confident | 84.6 | Confident | 56 Ų | 56 | 24.5 Ų | 24.5 | 46% | 0.463 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -64.6 | 19.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q362 V426 | Q362-A381 HydrophobicContact CB-CB 4.48Å; Q362-A381 PolarHBondContact O-N 3.02Å; Q362-A381 VanDerWaalsContact O-N 3.07Å; A381-V426 WeakPolarHBondContact O-CG2 3.24Å |
| 382 | S | 84.8 | Confident | 84.2 | Confident | 24 Ų | 24 | 21.9 Ų | 21.9 | 17% | 0.168 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -112.9 | 163.6 | 176.7 | 92.6 | 0 | 0 | 0 | 0 | 110.8 | D380 H384 | D380-S382 PolarHBondContact O-N 2.71Å; D380-S382 VanDerWaalsContact OD1-CB 3.25Å; D380-S382 WeakPolarHBondContact OD1-CB 3.45Å; D380-S382 PolarHBondContact OD1-N 3.18Å; D380-S382 PolarHBondContact OD1-OG 3.36Å; D380-S382 WeakPolarHBondContact OD2-CB 3.46Å; D380-S382 PolarHBondContact OD2-OG 3.26Å; S382-H384 PolarHBondContact O-N 3.48Å; S382-H384 PolarHBondContact OG-N 3.01Å; S382-H384 PolarHBondContact OG-O 3.38Å |
| 383 | P | 83.1 | Confident | 83.5 | Confident | 31 Ų | 31 | 18.9 Ų | 18.9 | 20% | 0.201 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -76.2 | 1.6 | 175.5 | 32.3 | -35.7 | 0 | 0 | 0 | 113.5 | D425 | P383-D425 WeakPolarHBondContact CA-O 3.3Š|
| 384 | H | 83.6 | Confident | 82.9 | Confident | 23 Ų | 23 | 16.8 Ų | 16.8 | 11% | 0.106 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -113.5 | 147.7 | -172.8 | -57.2 | -47.8 | 0 | 0 | 0 | 111.4 | L304 S382 L418 | L304-H384 VanDerWaalsContact CD1-NE2 3.33Å; L304-H384 WeakPolarHBondContact CD1-NE2 3.19Å; S382-H384 PolarHBondContact O-N 3.48Å; S382-H384 PolarHBondContact OG-N 3.01Å; S382-H384 PolarHBondContact OG-O 3.38Å; H384-L418 HydrophobicContact CB-CD1 3.71Å; H384-L418 HydrophobicContact CB-CG 4.5Å |
| 385 | M | 88.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 155.1 | 169.8 | -65.2 | -175.8 | -66.5 | 0 | 0 | 110.2 | I377 L378 I419 I427 L430 W451 L475 | I377-M385 HydrophobicContact CG2-CB 4.36Å; I377-M385 HydrophobicContact CG2-SD 4.35Å; L378-M385 WeakPolarHBondContact O-CA 3.43Å; M385-I419 HydrophobicContact CB-CB 4.21Å; M385-I419 HydrophobicContact CB-CD1 3.91Å; M385-I419 HydrophobicContact CE-CG2 4.4Å; M385-I419 WeakPolarHBondContact O-CB 3.45Å; M385-I419 PolarHBondContact O-N 3.13Å; M385-I427 HydrophobicContact CG-CD1 3.29Å; M385-I427 HydrophobicContact SD-CD1 4.24Å; M385-L430 HydrophobicContact SD-CD1 3.47Å; M385-L430 WeakPolarHBondContact SD-CD1 3.46Å; M385-L430 HydrophobicContact SD-CD2 4.3Å; M385-W451 HydrophobicContact CE-CD2 3.44Å; M385-W451 VanDerWaalsContact CE-CD2 3.44Å; M385-W451 HydrophobicContact CE-CE3 3.94Å; M385-W451 HydrophobicContact CE-CG 3.87Å; M385-W451 HydrophobicContact CE-CH2 3.92Å; M385-W451 HydrophobicContact CE-CZ2 3.43Å; M385-W451 VanDerWaalsContact CE-CZ2 3.43Å; M385-W451 HydrophobicContact CE-CZ3 4.15Å; M385-L475 HydrophobicContact CE-CD2 3.63Å |
| 386 | K | 87.3 | Confident | 80 | Confident | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.3 | 175.6 | -47.5 | 164.8 | -174.5 | 172.8 | 0 | 108.9 | L357 I360 I377 L378 D380 H417 L418 | L357-K386 HydrophobicContact CD2-CD 3.35Å; L357-K386 HydrophobicContact CD2-CG 4.37Å; I360-K386 VanDerWaalsContact C-NZ 3.27Å; I360-K386 VanDerWaalsContact CA-NZ 3.29Å; I360-K386 HydrophobicContact CG2-CD 4.25Å; I360-K386 PolarHBondContact O-NZ 3.21Å; I377-K386 CarbonylContact C-O 3.51Å; I377-K386 WeakPolarHBondContact CA-O 3.13Å; L378-K386 HydrophobicContact CD1-CB 4.11Å; L378-K386 HydrophobicContact CD1-CD 3.73Å; L378-K386 HydrophobicContact CD1-CG 4.12Å; L378-K386 HydrophobicContact CD2-CB 3.93Å; L378-K386 HydrophobicContact CD2-CD 4.28Å; L378-K386 HydrophobicContact CG-CB 3.79Å; L378-K386 HydrophobicContact CG-CD 4.27Å; L378-K386 HydrophobicContact CG-CG 4.37Å; L378-K386 PolarHBondContact N-O 3.18Å; L378-K386 PolarHBondContact O-N 3.38Å; D380-K386 IonicContact OD1-NZ 2.69Å; D380-K386 WeakPolarHBondContact OD2-CE 3.35Å; D380-K386 IonicContact OD2-NZ 2.7Å; D380-K386 PolarHBondContact OD2-NZ 3.46Å; K386-H417 CarbonylContact C-O 3.51Å; K386-H417 WeakPolarHBondContact CA-O 3.2Å; K386-L418 HydrophobicContact CG-CD1 3.88Å |
| 387 | I | 88.4 | Confident | 77.6 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.6 | -178.6 | -173.6 | 170.6 | 0 | 0 | 0 | 110.3 | Y375 L376 I377 H417 I419 L453 V473 | Y375-I387 HydrophobicContact CG-CD1 4.32Å; L376-I387 CarbonylContact O-C 3.5Å; L376-I387 WeakPolarHBondContact O-CA 3.28Å; I377-I387 HydrophobicContact CD1-CD1 4.35Å; I377-I387 HydrophobicContact CG1-CB 4.25Å; I377-I387 HydrophobicContact CG1-CD1 3.98Å; I377-I387 HydrophobicContact CG1-CG1 3.88Å; I387-H417 HydrophobicContact CG2-CB 3.69Å; I387-H417 PolarHBondContact N-O 2.85Å; I387-H417 PolarHBondContact O-N 3.34Å; I387-I419 HydrophobicContact CB-CD1 3.83Å; I387-I419 HydrophobicContact CB-CG1 4.44Å; I387-I419 HydrophobicContact CG2-CD1 3.88Å; I387-I419 HydrophobicContact CG2-CG1 3.94Å; I387-L453 HydrophobicContact CD1-CD1 3.79Å; I387-V473 HydrophobicContact CD1-CG1 3.85Å |
| 388 | F | 86.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.9 | 173.5 | -77.7 | -86.6 | 0 | 0 | 0 | 110.6 | F13 I360 L376 L378 W414 K415 C416 L708 | F13-F388 HydrophobicContact CD1-CZ 4.4Å; F13-F388 HydrophobicContact CD2-CE1 4.07Å; F13-F388 HydrophobicContact CD2-CZ 4.19Å; F13-F388 HydrophobicContact CE1-CZ 4.36Å; F13-F388 HydrophobicContact CE2-CE1 4.04Å; F13-F388 HydrophobicContact CE2-CZ 4.12Å; F13-F388 HydrophobicContact CG-CZ 4.3Å; F13-F388 HydrophobicContact CZ-CZ 4.2Å; I360-F388 HydrophobicContact CG2-CE2 4.49Å; I360-F388 HydrophobicContact CG2-CZ 4.2Å; L376-F388 HydrophobicContact CB-CB 4.17Å; L376-F388 HydrophobicContact CD2-CD2 4.48Å; L376-F388 PolarHBondContact N-O 3.05Å; L376-F388 PolarHBondContact O-N 2.93Å; L378-F388 HydrophobicContact CD2-CD2 3.8Å; L378-F388 HydrophobicContact CD2-CE2 3.31Å; L378-F388 HydrophobicContact CD2-CZ 4.44Å; F388-W414 HydrophobicContact CD1-CB 4.42Å; F388-W414 AromaticContact CD1-CE3 3.75Å; F388-W414 HydrophobicContact CD1-CE3 3.75Å; F388-W414 HydrophobicContact CE1-CB 4.07Å; F388-W414 HydrophobicContact CE1-CD2 4.49Å; F388-W414 AromaticContact CE1-CE3 3.69Å; F388-W414 HydrophobicContact CE1-CE3 3.69Å; F388-W414 VanDerWaalsContact CE1-O 3.31Å; F388-W414 WeakPolarHBondContact CE1-O 3.49Å; F388-W414 HydrophobicContact CG-CE3 4.39Å; F388-W414 HydrophobicContact CZ-CE3 4.31Å; F388-K415 CarbonylContact C-O 3.56Å; F388-K415 VanDerWaalsContact CA-O 3.25Å; F388-K415 WeakPolarHBondContact CA-O 3.45Å; F388-C416 HydrophobicContact CD1-CB 3.83Å; F388-C416 HydrophobicContact CE1-CB 3.54Å; F388-C416 HydrophobicContact CE2-CB 4.39Å; F388-C416 HydrophobicContact CG-CB 4.4Å; F388-C416 HydrophobicContact CZ-CB 3.85Å; F388-L708 HydrophobicContact CD2-CD1 4.08Å; F388-L708 HydrophobicContact CE2-CD1 3.42Å; F388-L708 VanDerWaalsContact CE2-CD1 3.42Å; F388-L708 HydrophobicContact CZ-CD1 3.88Å |
| 389 | L | 78.1 | Confident | 72.4 | Confident | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.6 | 177.9 | -61 | -177.3 | 0 | 0 | 0 | 111 | Y375 S413 K415 H417 P472 V473 | Y375-L389 HydrophobicContact CD1-CD2 3.74Å; Y375-L389 HydrophobicContact CE1-CD2 3.77Å; L389-S413 PolarHBondContact O-OG 2.91Å; L389-K415 HydrophobicContact CB-CB 4.49Å; L389-K415 PolarHBondContact N-O 3.09Å; L389-H417 WeakPolarHBondContact CD1-CD2 2.89Å; L389-H417 WeakPolarHBondContact CD1-NE2 3.32Å; L389-H417 VanDerWaalsContact CG-CD2 3.47Å; L389-H417 WeakPolarHBondContact CG-CD2 3.23Å; L389-P472 HydrophobicContact CD1-CG 3.8Å; L389-P472 HydrophobicContact CD2-CG 4.31Å; L389-V473 HydrophobicContact CD2-CB 4.12Å; L389-V473 HydrophobicContact CD2-CG2 3.92Å |
| 390 | N | 72.8 | Confident | 69.4 | Low | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 46.8 | 59.7 | 177.7 | -64.8 | -31.9 | 0 | 0 | 0 | 112.6 | N374 S413 | N374-N390 WeakPolarHBondContact O-CA 3.36Å; N374-N390 PolarHBondContact O-N 3.06Å; N390-S413 PolarHBondContact O-N 3.44Å; N390-S413 VanDerWaalsContact O-N 3.1Å |
| 391 | P | 75 | Confident | 66.4 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -62 | 162.3 | 172.4 | 31.8 | -37 | 0 | 0 | 0 | 110.2 | N374 L376 G393 L394 S413 W414 F700 | N374-P391 WeakPolarHBondContact O-CD 3.37Å; L376-P391 HydrophobicContact CB-CG 3.87Å; P391-G393 PolarHBondContact O-N 3.34Å; P391-L394 HydrophobicContact CG-CB 4.25Å; P391-L394 HydrophobicContact CG-CD1 3.76Å; P391-L394 HydrophobicContact CG-CG 4.24Å; P391-L394 PolarHBondContact O-N 3.49Å; P391-L394 VanDerWaalsContact O-N 3.12Å; P391-S413 WeakPolarHBondContact CA-O 3.45Å; P391-W414 HydrophobicContact CB-CZ3 4.17Å; P391-F700 HydrophobicContact CB-CE1 4.11Å; P391-F700 HydrophobicContact CB-CZ 4.09Å; P391-F700 HydrophobicContact CG-CE1 4.35Å; P391-F700 HydrophobicContact CG-CZ 3.92Å | ||
| 392 | Y | 70.1 | Confident | 63.9 | Low | 42 Ų | 42 | 53.8 Ų | 53.8 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 136.3 | 175.9 | -70.2 | -98.2 | 0 | 0 | 0 | 110.8 | D11 L394 N411 G412 W414 F700 | D11-Y392 HydrophobicContact CB-CD2 4.37Å; D11-Y392 HydrophobicContact CB-CG 4.24Å; D11-Y392 WeakPolarHBondContact OD2-CD2 3.49Å; D11-Y392 WeakPolarHBondContact OD2-CE2 3.22Å; Y392-L394 PolarHBondContact O-N 2.98Å; Y392-N411 HydrophobicContact CE1-CB 4.08Å; Y392-G412 WeakPolarHBondContact CE2-O 3.35Å; Y392-G412 PolarHBondContact OH-O 3.47Å; Y392-G412 VanDerWaalsContact OH-O 3.14Å; Y392-W414 AromaticContact CD2-CE2 3.97Å; Y392-W414 HydrophobicContact CD2-CZ2 4.28Å; Y392-W414 AromaticContact CD2-NE1 3.7Å; Y392-W414 AromaticContact CE2-CD1 3.87Å; Y392-W414 AromaticContact CE2-NE1 3.61Å; Y392-F700 WeakPolarHBondContact O-CZ 3.45Å |
| 393 | G | 62.1 | Low | 61.3 | Low | 32 Ų | 32 | 61.3 Ų | 61.3 | 33% | 0.33 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -31.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P391 Y710 | P391-G393 PolarHBondContact O-N 3.34Å; G393-Y710 VanDerWaalsContact CA-OH 3.23Å; G393-Y710 WeakPolarHBondContact CA-OH 3.41Å |
| 394 | L | 67.1 | Low | 58.6 | Low | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3.1 | -178.4 | -62.2 | -178.8 | 0 | 0 | 0 | 114 | I368 H373 N374 P391 Y392 S396 C693 F700 | I368-L394 HydrophobicContact CD1-CD1 4.35Å; I368-L394 HydrophobicContact CD1-CD2 4.49Å; I368-L394 HydrophobicContact CG1-CD1 4.29Å; I368-L394 HydrophobicContact CG2-CD1 3.88Å; H373-L394 WeakPolarHBondContact O-CD2 3.34Å; N374-L394 PolarHBondContact OD1-O 3.33Å; P391-L394 HydrophobicContact CG-CB 4.25Å; P391-L394 HydrophobicContact CG-CD1 3.76Å; P391-L394 HydrophobicContact CG-CG 4.24Å; P391-L394 PolarHBondContact O-N 3.49Å; P391-L394 VanDerWaalsContact O-N 3.12Å; Y392-L394 PolarHBondContact O-N 2.98Å; L394-S396 PolarHBondContact O-N 3.01Å; L394-C693 HydrophobicContact CD2-CB 4.16Å; L394-C693 VanDerWaalsContact CD2-SG 3.59Å; L394-F700 HydrophobicContact CD1-CE2 3.84Å; L394-F700 HydrophobicContact CD1-CZ 4.18Å; L394-F700 HydrophobicContact CD2-CE2 4.43Å; L394-F700 HydrophobicContact CG-CE2 3.91Å; L394-F700 HydrophobicContact CG-CZ 4.14Å |
| 395 | S | 58.8 | Low | 56 | Low | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 38% | 0.384 | C | S | . | . | trans | -68.6 | 112.9 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | K397 T410 | S395-K397 VanDerWaalsContact C-N 3.27Å; S395-K397 PolarHBondContact O-N 2.72Å; S395-T410 PolarHBondContact OG-OG1 2.67Å | ||
| 396 | S | 50.7 | Low | 53.5 | Low | 63 Ų | 63 | 75.9 Ų | 75.9 | 44% | 0.441 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -68.1 | -10.2 | -174.1 | -176.2 | 0 | 0 | 0 | 0 | 115.9 | L394 G398 | L394-S396 PolarHBondContact O-N 3.01Å; S396-G398 PolarHBondContact O-N 3.46Å |
| 397 | K | 39.7 | Very low | 50.9 | Low | 170 Ų | 170 | 83.2 Ų | 83.2 | 74% | 0.739 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -84.7 | -0.7 | -173.3 | -82 | -166.4 | 176.2 | -177.8 | 0 | 116.2 | S395 | S395-K397 VanDerWaalsContact C-N 3.27Å; S395-K397 PolarHBondContact O-N 2.72Å |
| 398 | G | 34.8 | Very low | 48.1 | Very low | 59 Ų | 59 | 87 Ų | 87 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -88.7 | -8.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S396 | S396-G398 PolarHBondContact O-N 3.46Š|
| 399 | K | 41.1 | Very low | 46 | Very low | 129 Ų | 129 | 94.2 Ų | 94.2 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -90.3 | -11.6 | -165.7 | -74.5 | -178.4 | 176.9 | 172 | 0 | 116.3 | D695 | K399-D695 IonicContact NZ-OD2 3.82Å; K399-D695 PolarHBondContact NZ-OD2 3.29Å |
| 400 | N | 29.6 | Very low | 44.4 | Very low | 156 Ų | 156 | 97.3 Ų | 97.3 | 83% | 0.834 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -136.9 | 39.8 | -175.1 | -83.7 | -12.3 | 0 | 0 | 0 | 114.7 | ||
| 401 | T | 26.7 | Very low | 43.6 | Very low | 104 Ų | 104 | 100.4 Ų | 100.4 | 64% | 0.638 | 56% | 0.56 | S | S | * | * | trans | -113.2 | 88.2 | 158.7 | 44.9 | 0 | 0 | 0 | 0 | 108.5 | E403 | T401-E403 PolarHBondContact O-N 3.43Š| ||
| 402 | I | 33.7 | Very low | 43 | Very low | 158 Ų | 158 | 100.6 Ų | 100.6 | 81% | 0.81 | 56% | 0.561 | S | S | * | * | trans | -57.4 | 114.8 | 158.6 | -61.3 | 163.1 | 0 | 0 | 0 | 105.2 | ||||
| 403 | E | 30.1 | Very low | 43.2 | Very low | 183 Ų | 183 | 99.5 Ų | 99.5 | 86% | 0.855 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 66.4 | 105.8 | 175.4 | -59.2 | 178.3 | 171.6 | 0 | 0 | 116.5 | T401 | T401-E403 PolarHBondContact O-N 3.43Š|
| 404 | G | 27.2 | Very low | 44.1 | Very low | 54 Ų | 54 | 98.2 Ų | 98.2 | 56% | 0.557 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 145.5 | 102.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 405 | N | 28.2 | Very low | 44.7 | Very low | 139 Ų | 139 | 99.9 Ų | 99.9 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | trans | 69.2 | 94.9 | 169.7 | -61.9 | -19 | 0 | 0 | 0 | 117 | N407 S408 | N405-N407 PolarHBondContact O-N 3.2Å; N405-S408 PolarHBondContact O-N 2.9Å | ||
| 406 | L | 35.5 | Very low | 45.8 | Very low | 169 Ų | 169 | 98.3 Ų | 98.3 | 89% | 0.885 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -6.1 | 163 | -82.2 | 102.6 | 0 | 0 | 0 | 114.6 | ||
| 407 | N | 32.6 | Very low | 47.2 | Very low | 162 Ų | 162 | 96 Ų | 96 | 87% | 0.866 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.6 | -174.9 | -70.1 | -2.2 | 0 | 0 | 0 | 115.1 | N405 | N405-N407 PolarHBondContact O-N 3.2Š|
| 408 | S | 29.9 | Very low | 49.1 | Very low | 87 Ų | 87 | 89.1 Ų | 89.1 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | trans | -120.4 | 52 | 166 | 76.2 | 0 | 0 | 0 | 0 | 111.9 | N405 T410 | N405-S408 PolarHBondContact O-N 2.9Å; S408-T410 VanDerWaalsContact C-N 3.32Å; S408-T410 PolarHBondContact O-N 2.91Å | ||
| 409 | K | 43 | Very low | 51.2 | Low | 151 Ų | 151 | 86.5 Ų | 86.5 | 66% | 0.657 | 47% | 0.466 | S | S | * | . | trans | -54.8 | 106.8 | 149.7 | -79.5 | -173.5 | 176.1 | -173.1 | 0 | 105.1 | N411 E712 | K409-N411 PolarHBondContact O-N 2.95Å; K409-E712 IonicContact NZ-OE2 3.31Å | ||
| 410 | T | 43 | Very low | 52.4 | Low | 78 Ų | 78 | 81.9 Ų | 81.9 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 117 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 106.5 | S395 S408 G412 | S395-T410 PolarHBondContact OG-OG1 2.67Å; S408-T410 VanDerWaalsContact C-N 3.32Å; S408-T410 PolarHBondContact O-N 2.91Å; T410-G412 PolarHBondContact O-N 3.01Å |
| 411 | N | 56.9 | Low | 54.4 | Low | 126 Ų | 126 | 75.7 Ų | 75.7 | 67% | 0.674 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 127.3 | 174 | -71.3 | -13 | 0 | 0 | 0 | 107.4 | Y392 K409 | Y392-N411 HydrophobicContact CE1-CB 4.08Å; K409-N411 PolarHBondContact O-N 2.95Å |
| 412 | G | 63.3 | Low | 56.8 | Low | 3 Ų | 3 | 71.2 Ų | 71.2 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 168.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y392 T410 | Y392-G412 WeakPolarHBondContact CE2-O 3.35Å; Y392-G412 PolarHBondContact OH-O 3.47Å; Y392-G412 VanDerWaalsContact OH-O 3.14Å; T410-G412 PolarHBondContact O-N 3.01Å |
| 413 | S | 72.9 | Confident | 59.3 | Low | 20 Ų | 20 | 64.1 Ų | 64.1 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | trans | -124.9 | 144.1 | 175.6 | 85.9 | 0 | 0 | 0 | 0 | 110.7 | L389 N390 P391 K415 | L389-S413 PolarHBondContact O-OG 2.91Å; N390-S413 PolarHBondContact O-N 3.44Å; N390-S413 VanDerWaalsContact O-N 3.1Å; P391-S413 WeakPolarHBondContact CA-O 3.45Å; S413-K415 PolarHBondContact O-N 3.35Å; S413-K415 PolarHBondContact OG-N 3.19Å | ||
| 414 | W | 81.5 | Confident | 61.9 | Low | 5 Ų | 5 | 62 Ų | 62 | 2% | 0.019 | 35% | 0.353 | C | S | . | . | trans | -93 | 30.9 | 169.6 | -67.4 | 114.9 | 0 | 0 | 0 | 111.5 | D11 F13 S50 F388 P391 Y392 C416 F700 L708 | D11-W414 HydrophobicContact CB-CZ2 4.39Å; D11-W414 PolarHBondContact OD2-NE1 3.43Å; F13-W414 HydrophobicContact CB-CD2 3.73Å; F13-W414 HydrophobicContact CB-CE3 3.79Å; F13-W414 HydrophobicContact CB-CG 4.33Å; F13-W414 HydrophobicContact CB-CH2 4.06Å; F13-W414 HydrophobicContact CB-CZ2 4.01Å; F13-W414 HydrophobicContact CB-CZ3 3.96Å; F13-W414 HydrophobicContact CD2-CB 3.62Å; F13-W414 AromaticContact CD2-CD2 3.84Å; F13-W414 HydrophobicContact CD2-CD2 3.84Å; F13-W414 HydrophobicContact CD2-CE3 4.08Å; F13-W414 AromaticContact CD2-CG 3.65Å; F13-W414 HydrophobicContact CD2-CG 3.65Å; F13-W414 HydrophobicContact CE2-CB 4.03Å; F13-W414 HydrophobicContact CG-CD2 4.22Å; F13-W414 HydrophobicContact CG-CE3 4.23Å; F13-W414 HydrophobicContact CG-CG 4.46Å; S50-W414 PolarHBondContact O-N 2.99Å; F388-W414 HydrophobicContact CD1-CB 4.42Å; F388-W414 AromaticContact CD1-CE3 3.75Å; F388-W414 HydrophobicContact CD1-CE3 3.75Å; F388-W414 HydrophobicContact CE1-CB 4.07Å; F388-W414 HydrophobicContact CE1-CD2 4.49Å; F388-W414 AromaticContact CE1-CE3 3.69Å; F388-W414 HydrophobicContact CE1-CE3 3.69Å; F388-W414 VanDerWaalsContact CE1-O 3.31Å; F388-W414 WeakPolarHBondContact CE1-O 3.49Å; F388-W414 HydrophobicContact CG-CE3 4.39Å; F388-W414 HydrophobicContact CZ-CE3 4.31Å; P391-W414 HydrophobicContact CB-CZ3 4.17Å; Y392-W414 AromaticContact CD2-CE2 3.97Å; Y392-W414 HydrophobicContact CD2-CZ2 4.28Å; Y392-W414 AromaticContact CD2-NE1 3.7Å; Y392-W414 AromaticContact CE2-CD1 3.87Å; Y392-W414 AromaticContact CE2-NE1 3.61Å; W414-C416 PolarHBondContact O-N 3.14Å; W414-F700 HydrophobicContact CH2-CE1 4.25Å; W414-L708 HydrophobicContact CH2-CB 4.38Å; W414-L708 HydrophobicContact CZ3-CB 4.39Å; W414-L708 HydrophobicContact CZ3-CD1 4.25Å | ||
| 415 | K | 79.3 | Confident | 64.8 | Low | 47 Ų | 47 | 62.1 Ų | 62.1 | 20% | 0.204 | 34% | 0.341 | C | S | . | . | trans | -62.4 | 120.2 | 172 | -75.5 | -174.2 | -177 | 176.2 | 0 | 109.5 | N49 F51 F388 L389 S413 | N49-K415 WeakPolarHBondContact O-CE 3.34Å; N49-K415 PolarHBondContact O-NZ 2.83Å; F51-K415 HydrophobicContact CD2-CG 3.71Å; F51-K415 HydrophobicContact CE2-CD 4.49Å; F51-K415 HydrophobicContact CE2-CG 3.89Å; F388-K415 CarbonylContact C-O 3.56Å; F388-K415 VanDerWaalsContact CA-O 3.25Å; F388-K415 WeakPolarHBondContact CA-O 3.45Å; L389-K415 HydrophobicContact CB-CB 4.49Å; L389-K415 PolarHBondContact N-O 3.09Å; S413-K415 PolarHBondContact O-N 3.35Å; S413-K415 PolarHBondContact OG-N 3.19Å | ||
| 416 | C | 82.6 | Confident | 67.8 | Low | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118 | -172.7 | -178 | 0 | 0 | 0 | 0 | 109.3 | E355 L357 F388 W414 | E355-C416 WeakPolarHBondContact CG-O 3.05Å; L357-C416 HydrophobicContact CB-CB 4.49Å; F388-C416 HydrophobicContact CD1-CB 3.83Å; F388-C416 HydrophobicContact CE1-CB 3.54Å; F388-C416 HydrophobicContact CE2-CB 4.39Å; F388-C416 HydrophobicContact CG-CB 4.4Å; F388-C416 HydrophobicContact CZ-CB 3.85Å; W414-C416 PolarHBondContact O-N 3.14Å |
| 417 | H | 80.3 | Confident | 70.6 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.065 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135.2 | 173.3 | -64.3 | -93.7 | 0 | 0 | 0 | 110.2 | E355 K386 I387 L389 | E355-H417 HydrophobicContact CG-CB 4.46Å; E355-H417 WeakPolarHBondContact CG-ND1 3.34Å; E355-H417 WeakPolarHBondContact OE1-CA 3.33Å; E355-H417 WeakPolarHBondContact OE1-CB 3.46Å; E355-H417 IonicContact OE1-CE1 3.29Å; E355-H417 IonicContact OE1-CG 3.79Å; E355-H417 IonicContact OE1-ND1 3.46Å; E355-H417 PolarHBondContact OE1-ND1 2.85Å; K386-H417 CarbonylContact C-O 3.51Å; K386-H417 WeakPolarHBondContact CA-O 3.2Å; I387-H417 HydrophobicContact CG2-CB 3.69Å; I387-H417 PolarHBondContact N-O 2.85Å; I387-H417 PolarHBondContact O-N 3.34Å; L389-H417 WeakPolarHBondContact CD1-CD2 2.89Å; L389-H417 WeakPolarHBondContact CD1-NE2 3.32Å; L389-H417 VanDerWaalsContact CG-CD2 3.47Å; L389-H417 WeakPolarHBondContact CG-CD2 3.23Å |
| 418 | L | 78.7 | Confident | 73.5 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.4 | 172.4 | -173.5 | 66.8 | 0 | 0 | 0 | 109.1 | H384 K386 P420 | H384-L418 HydrophobicContact CB-CD1 3.71Å; H384-L418 HydrophobicContact CB-CG 4.5Å; K386-L418 HydrophobicContact CG-CD1 3.88Å; L418-P420 WeakPolarHBondContact O-CD 3.46Å |
| 419 | I | 79.2 | Confident | 76.6 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 109.8 | 172.7 | -61.1 | 154.4 | 0 | 0 | 0 | 107.6 | M385 I387 W451 L475 | M385-I419 HydrophobicContact CB-CB 4.21Å; M385-I419 HydrophobicContact CB-CD1 3.91Å; M385-I419 HydrophobicContact CE-CG2 4.4Å; M385-I419 WeakPolarHBondContact O-CB 3.45Å; M385-I419 PolarHBondContact O-N 3.13Å; I387-I419 HydrophobicContact CB-CD1 3.83Å; I387-I419 HydrophobicContact CB-CG1 4.44Å; I387-I419 HydrophobicContact CG2-CD1 3.88Å; I387-I419 HydrophobicContact CG2-CG1 3.94Å; I419-W451 HydrophobicContact CG2-CE3 4.26Å; I419-W451 HydrophobicContact CG2-CH2 4.27Å; I419-W451 HydrophobicContact CG2-CZ3 3.71Å; I419-L475 HydrophobicContact CD1-CB 4.02Å; I419-L475 HydrophobicContact CD1-CD2 3.51Å; I419-L475 HydrophobicContact CD1-CG 4.37Å; I419-L475 HydrophobicContact CG1-CB 4.16Å; I419-L475 HydrophobicContact CG1-CD2 4.33Å; I419-L475 HydrophobicContact CG2-CB 4.26Å; I419-L475 HydrophobicContact CG2-CD2 4.09Å |
| 420 | P | 66.7 | Low | 79.1 | Confident | 32 Ų | 32 | 34 Ų | 34 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | trans | -78.2 | 152.1 | -177.4 | 32.3 | -37.1 | 0 | 0 | 0 | 113 | Y302 L418 | Y302-P420 HydrophobicContact CD2-CB 3.42Å; Y302-P420 VanDerWaalsContact CD2-CB 3.42Å; Y302-P420 HydrophobicContact CD2-CG 3.82Å; Y302-P420 HydrophobicContact CE2-CB 3.47Å; Y302-P420 VanDerWaalsContact CE2-CB 3.47Å; Y302-P420 HydrophobicContact CE2-CG 3.66Å; L418-P420 WeakPolarHBondContact O-CD 3.46Å | ||
| 421 | G | 71.3 | Confident | 81.6 | Confident | 26 Ų | 26 | 31.3 Ų | 31.3 | 27% | 0.268 | 18% | 0.175 | S | C | . | . | trans | 78 | -168.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H423 W451 | G421-H423 VanDerWaalsContact C-N 3.3Å; G421-H423 PolarHBondContact O-N 3.27Å; G421-W451 WeakPolarHBondContact O-CH2 3.27Å | ||
| 422 | G | 78 | Confident | 83.3 | Confident | 9 Ų | 9 | 26.8 Ų | 26.8 | 9% | 0.093 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 84.8 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | C449 Q480 | G422-C449 PolarHBondContact O-SG 3.48Å; G422-Q480 PolarHBondContact O-NE2 3.03Å |
| 423 | H | 85.9 | Confident | 84.7 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.046 | 15% | 0.152 | C | C | . | . | trans | -129.1 | 155.6 | 177 | -68.4 | -60.1 | 0 | 0 | 0 | 112.3 | G421 I427 S441 S443 D445 S447 C449 | G421-H423 VanDerWaalsContact C-N 3.3Å; G421-H423 PolarHBondContact O-N 3.27Å; H423-I427 HydrophobicContact CB-CG1 4.38Å; H423-S441 PolarHBondContact CD2-OG 2.79Å; H423-S441 WeakPolarHBondContact NE2-CB 3.33Å; H423-S441 PolarHBondContact NE2-OG 3.1Å; H423-S443 VanDerWaalsContact CG-CB 3.45Å; H423-S443 WeakPolarHBondContact ND1-CB 3.32Å; H423-D445 VanDerWaalsContact CA-OD2 3.26Å; H423-D445 WeakPolarHBondContact CA-OD2 3.29Å; H423-D445 WeakPolarHBondContact CB-OD2 3.06Å; H423-D445 IonicContact CG-OD2 3.01Å; H423-D445 IonicContact ND1-OD1 3.97Å; H423-D445 PolarHBondContact ND1-OD1 3.09Å; H423-D445 IonicContact ND1-OD2 3.86Å; H423-D445 PolarHBondContact ND1-OD2 3.03Å; H423-S447 PolarHBondContact CE1-O 3.25Å; H423-S447 VanDerWaalsContact CE1-O 3.3Å; H423-S447 PolarHBondContact CE1-OG 3.01Å; H423-S447 VanDerWaalsContact CE1-OG 3.28Å; H423-S447 PolarHBondContact ND1-OG 3.45Å; H423-C449 PolarHBondContact CE1-SG 3.31Å | ||
| 424 | I | 84.6 | Confident | 85.4 | Confident | 137 Ų | 137 | 29.9 Ų | 29.9 | 70% | 0.703 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -105.4 | -19.6 | 179.1 | -53.7 | 169 | 0 | 0 | 0 | 110.8 | D445 | I424-D445 HydrophobicContact CB-CB 4.25Å; I424-D445 PolarHBondContact N-OD2 3.38Å |
| 425 | D | 87.7 | Confident | 85.5 | Confident | 57 Ų | 57 | 32.2 Ų | 32.2 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -136 | 173.7 | -178.4 | -157.5 | -8.2 | 0 | 0 | 0 | 110.2 | P383 I427 S443 K444 D445 | P383-D425 WeakPolarHBondContact CA-O 3.3Å; D425-I427 PolarHBondContact O-N 3.47Å; D425-S443 VanDerWaalsContact C-OG 3.3Å; D425-S443 PolarHBondContact O-OG 2.91Å; D425-K444 HydrophobicContact CB-CB 4.08Å; D425-K444 WeakPolarHBondContact OD2-CD 3.25Å; D425-K444 WeakPolarHBondContact OD2-CG 3.48Å; D425-D445 HydrophobicContact CB-CB 3.89Å |
| 426 | V | 91.2 | Very high | 85.9 | Confident | 27 Ų | 27 | 30 Ų | 30 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | trans | -51.4 | 134.4 | -173.9 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | A381 M428 S443 K444 | A381-V426 WeakPolarHBondContact O-CG2 3.24Å; V426-M428 PolarHBondContact O-N 2.8Å; V426-S443 WeakPolarHBondContact O-CA 3.38Å; V426-S443 WeakPolarHBondContact O-CB 3.35Å; V426-S443 PolarHBondContact O-OG 3.45Å; V426-K444 PolarHBondContact O-N 3.34Å | ||
| 427 | I | 94.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.2 | 175.7 | -59.8 | 172.2 | 0 | 0 | 0 | 108.5 | A379 M385 H423 D425 | A379-I427 HydrophobicContact CB-CB 3.78Å; A379-I427 HydrophobicContact CB-CD1 4.33Å; A379-I427 HydrophobicContact CB-CG2 3.77Å; M385-I427 HydrophobicContact CG-CD1 3.29Å; M385-I427 HydrophobicContact SD-CD1 4.24Å; H423-I427 HydrophobicContact CB-CG1 4.38Å; D425-I427 PolarHBondContact O-N 3.47Å |
| 428 | M | 94.4 | Very high | 86.7 | Confident | 69 Ų | 69 | 32.2 Ų | 32.2 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -32.5 | -174.1 | -66.4 | -59.8 | -51.8 | 0 | 0 | 112.7 | V426 G442 K444 I489 | V426-M428 PolarHBondContact O-N 2.8Å; M428-G442 PolarHBondContact N-O 3.32Å; M428-K444 HydrophobicContact CG-CB 4.27Å; M428-K444 HydrophobicContact SD-CB 4.47Å; M428-I489 WeakPolarHBondContact CB-O 3.18Å; M428-I489 WeakPolarHBondContact CG-O 3.35Å |
| 429 | D | 94.8 | Very high | 87.5 | Confident | 18 Ų | 18 | 31 Ų | 31 | 10% | 0.096 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 153.4 | 176.7 | -162.1 | 14.9 | 0 | 0 | 0 | 111.4 | Q365 S441 G442 S491 V492 | Q365-D429 PolarHBondContact NE2-OD1 3.1Å; D429-S441 WeakPolarHBondContact O-CA 3.4Å; D429-G442 PolarHBondContact N-O 2.94Å; D429-G442 PolarHBondContact O-N 3.47Å; D429-S491 WeakPolarHBondContact OD2-CA 3.48Å; D429-S491 VanDerWaalsContact OD2-CB 3.27Å; D429-S491 WeakPolarHBondContact OD2-CB 3.29Å; D429-V492 PolarHBondContact OD2-N 2.87Å |
| 430 | L | 95.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 129.6 | -174.6 | -171 | 70.1 | 0 | 0 | 0 | 108.4 | Q365 C367 I377 M385 I439 A440 | Q365-L430 HydrophobicContact CB-CB 4.27Å; Q365-L430 HydrophobicContact CG-CB 3.58Å; Q365-L430 PolarHBondContact NE2-O 3.3Å; C367-L430 HydrophobicContact CB-CD2 4.47Å; C367-L430 WeakPolarHBondContact SG-CD2 3.46Å; I377-L430 HydrophobicContact CB-CD2 4.36Å; I377-L430 HydrophobicContact CG2-CD2 3.74Å; M385-L430 HydrophobicContact SD-CD1 3.47Å; M385-L430 WeakPolarHBondContact SD-CD1 3.46Å; M385-L430 HydrophobicContact SD-CD2 4.3Å; L430-I439 HydrophobicContact CD1-CG2 3.34Å; L430-I439 HydrophobicContact CG-CG2 3.96Å; L430-A440 WeakPolarHBondContact CA-O 3.3Å |
| 431 | T | 94.5 | Very high | 89.6 | Confident | 21 Ų | 21 | 29.3 Ų | 29.3 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.9 | 179.1 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | I439 A440 V492 F494 L501 | T431-I439 WeakPolarHBondContact O-CA 3.25Å; T431-A440 HydrophobicContact CG2-CB 3.9Å; T431-A440 PolarHBondContact N-O 2.94Å; T431-A440 PolarHBondContact O-N 2.83Å; T431-V492 WeakPolarHBondContact CB-O 3.49Å; T431-V492 HydrophobicContact CG2-CB 4.38Å; T431-V492 HydrophobicContact CG2-CG1 3.88Å; T431-V492 WeakPolarHBondContact CG2-O 3.4Å; T431-F494 HydrophobicContact CG2-CD2 3.56Å; T431-F494 HydrophobicContact CG2-CE2 3.92Å; T431-F494 HydrophobicContact CG2-CG 4.33Å; T431-L501 HydrophobicContact CG2-CD1 4.15Å |
| 432 | V | 94 | Very high | 90.7 | Very high | 31 Ų | 31 | 28 Ų | 28 | 19% | 0.188 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.2 | -179.6 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | C367 A369 I439 | C367-V432 HydrophobicContact CB-CG2 3.53Å; C367-V432 WeakPolarHBondContact SG-CG2 3.25Å; A369-V432 HydrophobicContact CB-CG1 4.12Å; A369-V432 HydrophobicContact CB-CG2 4.39Å; V432-I439 HydrophobicContact CB-CG1 4.48Å; V432-I439 HydrophobicContact CG1-CG1 4.23Å; V432-I439 HydrophobicContact CG2-CG1 3.88Å |
| 433 | S | 92 | Very high | 91.5 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | trans | -58.5 | 156.6 | 170.4 | 53.8 | 0 | 0 | 0 | 0 | 113 | C435 G436 Q437 W438 T498 | S433-C435 PolarHBondContact O-N 3.36Å; S433-C435 PolarHBondContact OG-SG 3.45Å; S433-G436 PolarHBondContact O-N 2.91Å; S433-Q437 PolarHBondContact OG-N 3.45Å; S433-W438 WeakPolarHBondContact CB-O 3.4Å; S433-W438 PolarHBondContact N-O 2.86Å; S433-W438 WeakPolarHBondContact OG-CA 3.02Å; S433-W438 WeakPolarHBondContact OG-CB 3.42Å; S433-W438 PolarHBondContact OG-N 3.2Å; S433-W438 PolarHBondContact OG-O 3.41Å; S433-T498 VanDerWaalsContact CB-CG2 3.4Å | ||
| 434 | T | 86.9 | Confident | 91.9 | Very high | 82 Ų | 82 | 31 Ų | 31 | 50% | 0.503 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.5 | 177.2 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | G436 R496 | T434-G436 VanDerWaalsContact C-N 3.33Å; T434-R496 HydrophobicContact CG2-CB 4.13Å; T434-R496 VanDerWaalsContact CG2-O 3.28Å; T434-R496 WeakPolarHBondContact CG2-O 3.41Å; T434-R496 PolarHBondContact OG1-O 3.28Å |
| 435 | C | 85 | Confident | 92.3 | Very high | 54 Ų | 54 | 26 Ų | 26 | 37% | 0.365 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -2.4 | 174.1 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | S433 Q437 | S433-C435 PolarHBondContact O-N 3.36Å; S433-C435 PolarHBondContact OG-SG 3.45Å; C435-Q437 PolarHBondContact O-N 3.07Å |
| 436 | G | 86.5 | Confident | 92.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 73.7 | -2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G370 S433 T434 | G370-G436 PolarHBondContact N-O 3.3Å; S433-G436 PolarHBondContact O-N 2.91Å; T434-G436 VanDerWaalsContact C-N 3.33Å |
| 437 | Q | 89.1 | Confident | 92.7 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 22% | 0.22 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -100.2 | -24.8 | -171.8 | -68.8 | 177.3 | 5.4 | 0 | 0 | 114.4 | K371 S433 C435 H452 L453 | K371-Q437 HydrophobicContact CG-CG 4.24Å; K371-Q437 VanDerWaalsContact CG-NE2 3.32Å; S433-Q437 PolarHBondContact OG-N 3.45Å; C435-Q437 PolarHBondContact O-N 3.07Å; Q437-H452 PolarHBondContact O-ND1 3.15Å; Q437-L453 WeakPolarHBondContact O-CB 3.4Å; Q437-L453 PolarHBondContact O-N 2.81Å |
| 438 | W | 91.5 | Very high | 92.7 | Very high | 17 Ų | 17 | 24.5 Ų | 24.5 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.4 | 179.9 | -60.7 | 82.3 | 0 | 0 | 0 | 109.6 | S433 L450 W451 H452 I478 F494 C517 L520 V526 | S433-W438 WeakPolarHBondContact CB-O 3.4Å; S433-W438 PolarHBondContact N-O 2.86Å; S433-W438 WeakPolarHBondContact OG-CA 3.02Å; S433-W438 WeakPolarHBondContact OG-CB 3.42Å; S433-W438 PolarHBondContact OG-N 3.2Å; S433-W438 PolarHBondContact OG-O 3.41Å; W438-L450 HydrophobicContact CE3-CD1 4.18Å; W438-L450 HydrophobicContact CE3-CD2 3.88Å; W438-L450 HydrophobicContact CE3-CG 3.95Å; W438-L450 HydrophobicContact CZ3-CD2 3.82Å; W438-L450 HydrophobicContact CZ3-CG 4.26Å; W438-W451 WeakPolarHBondContact CA-O 3.47Å; W438-H452 AromaticContact CD2-ND1 3.98Å; W438-H452 AromaticContact CE2-ND1 3.6Å; W438-H452 AromaticContact CZ2-ND1 3.8Å; W438-H452 AromaticContact NE1-ND1 3.87Å; W438-I478 HydrophobicContact CE3-CD1 3.62Å; W438-I478 HydrophobicContact CH2-CD1 3.59Å; W438-I478 HydrophobicContact CZ3-CD1 3Å; W438-I478 HydrophobicContact CZ3-CG1 4.49Å; W438-F494 HydrophobicContact CB-CZ 4.34Å; W438-C517 HydrophobicContact CD2-CB 4.4Å; W438-C517 HydrophobicContact CH2-CB 3.84Å; W438-C517 HydrophobicContact CZ2-CB 3.48Å; W438-C517 VanDerWaalsContact CZ2-CB 3.48Å; W438-C517 HydrophobicContact CZ3-CB 4.4Å; W438-L520 HydrophobicContact CH2-CD2 4.05Å; W438-V526 HydrophobicContact CZ3-CG1 4.46Å |
| 439 | I | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.8 | 179.1 | -62.6 | 100.5 | 0 | 0 | 0 | 107.8 | A369 I377 L430 T431 V432 W451 L453 L475 | A369-I439 HydrophobicContact CB-CD1 4.24Å; A369-I439 HydrophobicContact CB-CG1 4.46Å; I377-I439 HydrophobicContact CD1-CD1 3.87Å; I377-I439 HydrophobicContact CD1-CG1 3.95Å; L430-I439 HydrophobicContact CD1-CG2 3.34Å; L430-I439 HydrophobicContact CG-CG2 3.96Å; T431-I439 WeakPolarHBondContact O-CA 3.25Å; V432-I439 HydrophobicContact CB-CG1 4.48Å; V432-I439 HydrophobicContact CG1-CG1 4.23Å; V432-I439 HydrophobicContact CG2-CG1 3.88Å; I439-W451 HydrophobicContact CB-CB 4.17Å; I439-W451 PolarHBondContact N-O 3.34Å; I439-W451 PolarHBondContact O-N 2.96Å; I439-L453 HydrophobicContact CD1-CB 3.94Å; I439-L475 HydrophobicContact CD1-CD1 3.6Å |
| 440 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | L430 T431 C449 L450 V492 F494 L501 | L430-A440 WeakPolarHBondContact CA-O 3.3Å; T431-A440 HydrophobicContact CG2-CB 3.9Å; T431-A440 PolarHBondContact N-O 2.94Å; T431-A440 PolarHBondContact O-N 2.83Å; A440-C449 WeakPolarHBondContact CA-O 3.13Å; A440-L450 HydrophobicContact CB-CD1 4.25Å; A440-V492 HydrophobicContact CB-CG1 4.11Å; A440-F494 HydrophobicContact CB-CD2 4.45Å; A440-F494 HydrophobicContact CB-CE1 4.4Å; A440-F494 HydrophobicContact CB-CE2 3.57Å; A440-F494 HydrophobicContact CB-CZ 3.53Å; A440-L501 HydrophobicContact CB-CD1 3.61Å; A440-L501 HydrophobicContact CB-CD2 3.95Å; A440-L501 HydrophobicContact CB-CG 4.45Å |
| 441 | S | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.1 | 178.6 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | H423 D429 I448 C449 W451 | H423-S441 PolarHBondContact CD2-OG 2.79Å; H423-S441 WeakPolarHBondContact NE2-CB 3.33Å; H423-S441 PolarHBondContact NE2-OG 3.1Å; D429-S441 WeakPolarHBondContact O-CA 3.4Å; S441-I448 WeakPolarHBondContact O-CA 3.28Å; S441-C449 PolarHBondContact N-O 2.92Å; S441-C449 PolarHBondContact O-N 3.38Å; S441-C449 WeakPolarHBondContact OG-CB 3.43Å; S441-W451 PolarHBondContact OG-NE1 3.3Å |
| 442 | G | 95 | Very high | 92 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | M428 D429 | M428-G442 PolarHBondContact N-O 3.32Å; D429-G442 PolarHBondContact N-O 2.94Å; D429-G442 PolarHBondContact O-N 3.47Å |
| 443 | S | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 161.6 | -175 | 167.7 | 0 | 0 | 0 | 0 | 112.9 | H423 D425 V426 D445 Q446 S447 I489 | H423-S443 VanDerWaalsContact CG-CB 3.45Å; H423-S443 WeakPolarHBondContact ND1-CB 3.32Å; D425-S443 VanDerWaalsContact C-OG 3.3Å; D425-S443 PolarHBondContact O-OG 2.91Å; V426-S443 WeakPolarHBondContact O-CA 3.38Å; V426-S443 WeakPolarHBondContact O-CB 3.35Å; V426-S443 PolarHBondContact O-OG 3.45Å; S443-D445 VanDerWaalsContact CB-OD1 3.23Å; S443-D445 WeakPolarHBondContact CB-OD1 3Å; S443-D445 PolarHBondContact O-N 3.14Å; S443-D445 VanDerWaalsContact OG-CG 3.25Å; S443-D445 PolarHBondContact OG-N 3.37Å; S443-D445 PolarHBondContact OG-OD1 3.35Å; S443-Q446 PolarHBondContact O-N 3Å; S443-Q446 VanDerWaalsContact O-N 3.13Å; S443-S447 PolarHBondContact N-O 2.83Å; S443-I489 PolarHBondContact O-N 3.46Å |
| 444 | K | 94.4 | Very high | 91.3 | Very high | 81 Ų | 81 | 23 Ų | 23 | 35% | 0.352 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.3 | 167.1 | -166.2 | 175.4 | 177.2 | -173.2 | 0 | 112.4 | D425 V426 M428 Q446 H488 | D425-K444 HydrophobicContact CB-CB 4.08Å; D425-K444 WeakPolarHBondContact OD2-CD 3.25Å; D425-K444 WeakPolarHBondContact OD2-CG 3.48Å; V426-K444 PolarHBondContact O-N 3.34Å; M428-K444 HydrophobicContact CG-CB 4.27Å; M428-K444 HydrophobicContact SD-CB 4.47Å; K444-Q446 PolarHBondContact O-N 3.46Å; K444-H488 HydrophobicContact CG-CB 4.16Å; K444-H488 VanDerWaalsContact CG-CE1 3.47Å; K444-H488 WeakPolarHBondContact CG-CE1 2.82Å; K444-H488 VanDerWaalsContact CG-ND1 3.27Å; K444-H488 WeakPolarHBondContact CG-ND1 3.4Å; K444-H488 PolarHBondContact O-CE1 2.98Å; K444-H488 PolarHBondContact O-ND1 3.39Å |
| 445 | D | 92.8 | Very high | 90.8 | Very high | 33 Ų | 33 | 20.7 Ų | 20.7 | 18% | 0.176 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 4.3 | 172.6 | 71.1 | 9.4 | 0 | 0 | 0 | 114.4 | H423 I424 D425 S443 S447 | H423-D445 VanDerWaalsContact CA-OD2 3.26Å; H423-D445 WeakPolarHBondContact CA-OD2 3.29Å; H423-D445 WeakPolarHBondContact CB-OD2 3.06Å; H423-D445 IonicContact CG-OD2 3.01Å; H423-D445 IonicContact ND1-OD1 3.97Å; H423-D445 PolarHBondContact ND1-OD1 3.09Å; H423-D445 IonicContact ND1-OD2 3.86Å; H423-D445 PolarHBondContact ND1-OD2 3.03Å; I424-D445 HydrophobicContact CB-CB 4.25Å; I424-D445 PolarHBondContact N-OD2 3.38Å; D425-D445 HydrophobicContact CB-CB 3.89Å; S443-D445 VanDerWaalsContact CB-OD1 3.23Å; S443-D445 WeakPolarHBondContact CB-OD1 3Å; S443-D445 PolarHBondContact O-N 3.14Å; S443-D445 VanDerWaalsContact OG-CG 3.25Å; S443-D445 PolarHBondContact OG-N 3.37Å; S443-D445 PolarHBondContact OG-OD1 3.35Å; D445-S447 PolarHBondContact O-N 2.65Å; D445-S447 WeakPolarHBondContact OD1-CA 3.37Å; D445-S447 VanDerWaalsContact OD1-CB 3.24Å; D445-S447 WeakPolarHBondContact OD1-CB 3.36Å; D445-S447 PolarHBondContact OD1-N 2.94Å; D445-S447 PolarHBondContact OD1-OG 3.28Å; D445-S447 PolarHBondContact OD2-OG 3.21Å; D445-S447 VanDerWaalsContact OD2-OG 3.07Å |
| 446 | Q | 94.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 20 Ų | 20 | 24% | 0.243 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 70.7 | 12.4 | 179.4 | -41 | 174.8 | -18.1 | 0 | 0 | 113.8 | S443 K444 K483 A484 H485 A486 I489 | S443-Q446 PolarHBondContact O-N 3Å; S443-Q446 VanDerWaalsContact O-N 3.13Å; K444-Q446 PolarHBondContact O-N 3.46Å; Q446-K483 CarbonylContact O-C 3.45Å; Q446-K483 WeakPolarHBondContact O-CA 3.21Å; Q446-K483 PolarHBondContact O-N 3.49Å; Q446-A484 PolarHBondContact O-N 2.83Å; Q446-H485 PolarHBondContact O-N 3.21Å; Q446-A486 PolarHBondContact NE2-O 3.36Å; Q446-A486 VanDerWaalsContact NE2-O 3.15Å; Q446-I489 VanDerWaalsContact C-CD1 3.48Å |
| 447 | S | 92.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | trans | -103.9 | 151.5 | 178.5 | 74.1 | 0 | 0 | 0 | 0 | 113.2 | H423 S443 D445 I481 I489 | H423-S447 PolarHBondContact CE1-O 3.25Å; H423-S447 VanDerWaalsContact CE1-O 3.3Å; H423-S447 PolarHBondContact CE1-OG 3.01Å; H423-S447 VanDerWaalsContact CE1-OG 3.28Å; H423-S447 PolarHBondContact ND1-OG 3.45Å; S443-S447 PolarHBondContact N-O 2.83Å; D445-S447 PolarHBondContact O-N 2.65Å; D445-S447 WeakPolarHBondContact OD1-CA 3.37Å; D445-S447 VanDerWaalsContact OD1-CB 3.24Å; D445-S447 WeakPolarHBondContact OD1-CB 3.36Å; D445-S447 PolarHBondContact OD1-N 2.94Å; D445-S447 PolarHBondContact OD1-OG 3.28Å; D445-S447 PolarHBondContact OD2-OG 3.21Å; D445-S447 VanDerWaalsContact OD2-OG 3.07Å; S447-I481 WeakPolarHBondContact CA-O 3.12Å; S447-I481 VanDerWaalsContact CB-O 3.25Å; S447-I481 WeakPolarHBondContact CB-O 3.43Å; S447-I489 WeakPolarHBondContact O-CD1 3.44Å | ||
| 448 | I | 93.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130.3 | 171.8 | -62.3 | 171.3 | 0 | 0 | 0 | 107.6 | S441 I481 A484 I489 L501 S503 W513 L527 | S441-I448 WeakPolarHBondContact O-CA 3.28Å; I448-I481 PolarHBondContact N-O 3.43Å; I448-I481 VanDerWaalsContact N-O 3.15Å; I448-I481 PolarHBondContact O-N 3.28Å; I448-A484 HydrophobicContact CB-CB 4.22Å; I448-A484 HydrophobicContact CD1-CB 3.64Å; I448-A484 HydrophobicContact CG1-CB 3.68Å; I448-I489 HydrophobicContact CD1-CD1 4.38Å; I448-I489 HydrophobicContact CG1-CD1 3.52Å; I448-L501 HydrophobicContact CG2-CD2 3.93Å; I448-S503 WeakPolarHBondContact CD1-OG 3.37Å; I448-W513 HydrophobicContact CD1-CD2 4.36Å; I448-W513 HydrophobicContact CD1-CH2 4.4Å; I448-W513 HydrophobicContact CD1-CZ2 3.55Å; I448-L527 HydrophobicContact CG2-CD1 4.27Å |
| 449 | C | 92.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.2 | 175.8 | -71.3 | 0 | 0 | 0 | 0 | 110.7 | G422 H423 A440 S441 W451 L477 T479 Q480 | G422-C449 PolarHBondContact O-SG 3.48Å; H423-C449 PolarHBondContact CE1-SG 3.31Å; A440-C449 WeakPolarHBondContact CA-O 3.13Å; S441-C449 PolarHBondContact N-O 2.92Å; S441-C449 PolarHBondContact O-N 3.38Å; S441-C449 WeakPolarHBondContact OG-CB 3.43Å; C449-W451 HydrophobicContact CB-CZ2 3.94Å; C449-W451 VanDerWaalsContact CB-NE1 3.31Å; C449-L477 HydrophobicContact CB-CD1 3.74Å; C449-T479 WeakPolarHBondContact CA-O 3.4Å; C449-Q480 VanDerWaalsContact SG-CG 3.53Å |
| 450 | L | 92.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 129.5 | 173 | -170.9 | 66.5 | 0 | 0 | 0 | 109.4 | W438 A440 I478 T479 F494 V515 V526 L527 | W438-L450 HydrophobicContact CE3-CD1 4.18Å; W438-L450 HydrophobicContact CE3-CD2 3.88Å; W438-L450 HydrophobicContact CE3-CG 3.95Å; W438-L450 HydrophobicContact CZ3-CD2 3.82Å; W438-L450 HydrophobicContact CZ3-CG 4.26Å; A440-L450 HydrophobicContact CB-CD1 4.25Å; L450-I478 HydrophobicContact CG-CD1 4.39Å; L450-I478 PolarHBondContact O-N 3.42Å; L450-T479 VanDerWaalsContact CB-OG1 3.23Å; L450-T479 WeakPolarHBondContact CB-OG1 3.33Å; L450-T479 PolarHBondContact N-O 3Å; L450-T479 PolarHBondContact O-N 3.45Å; L450-F494 HydrophobicContact CD1-CE1 4.2Å; L450-F494 HydrophobicContact CD1-CZ 3.63Å; L450-V515 HydrophobicContact CD2-CG1 4.19Å; L450-V526 HydrophobicContact CD2-CG1 3.47Å; L450-V526 VanDerWaalsContact CD2-CG1 3.47Å; L450-L527 HydrophobicContact CB-CD1 3.93Å; L450-L527 HydrophobicContact CB-CG 4.39Å; L450-L527 HydrophobicContact CD2-CD1 4.49Å; L450-L527 HydrophobicContact CD2-CD2 4.27Å; L450-L527 HydrophobicContact CD2-CG 4.08Å |
| 451 | W | 90.7 | Very high | 78.2 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141 | -172.7 | -51.7 | 86.2 | 0 | 0 | 0 | 110.5 | M385 I419 G421 W438 I439 S441 C449 L475 D476 L477 | M385-W451 HydrophobicContact CE-CD2 3.44Å; M385-W451 VanDerWaalsContact CE-CD2 3.44Å; M385-W451 HydrophobicContact CE-CE3 3.94Å; M385-W451 HydrophobicContact CE-CG 3.87Å; M385-W451 HydrophobicContact CE-CH2 3.92Å; M385-W451 HydrophobicContact CE-CZ2 3.43Å; M385-W451 VanDerWaalsContact CE-CZ2 3.43Å; M385-W451 HydrophobicContact CE-CZ3 4.15Å; I419-W451 HydrophobicContact CG2-CE3 4.26Å; I419-W451 HydrophobicContact CG2-CH2 4.27Å; I419-W451 HydrophobicContact CG2-CZ3 3.71Å; G421-W451 WeakPolarHBondContact O-CH2 3.27Å; W438-W451 WeakPolarHBondContact CA-O 3.47Å; I439-W451 HydrophobicContact CB-CB 4.17Å; I439-W451 PolarHBondContact N-O 3.34Å; I439-W451 PolarHBondContact O-N 2.96Å; S441-W451 PolarHBondContact OG-NE1 3.3Å; C449-W451 HydrophobicContact CB-CZ2 3.94Å; C449-W451 VanDerWaalsContact CB-NE1 3.31Å; W451-L475 HydrophobicContact CB-CD1 3.88Å; W451-L475 HydrophobicContact CB-CD2 3.81Å; W451-L475 HydrophobicContact CB-CG 3.81Å; W451-L475 HydrophobicContact CD2-CD2 4.03Å; W451-L475 HydrophobicContact CD2-CG 4.49Å; W451-L475 HydrophobicContact CE3-CD2 3.89Å; W451-L475 HydrophobicContact CE3-CG 4.08Å; W451-L475 HydrophobicContact CG-CD2 4.01Å; W451-L475 HydrophobicContact CG-CG 4.42Å; W451-D476 CarbonylContact C-O 3.53Å; W451-D476 VanDerWaalsContact CA-O 3.25Å; W451-D476 WeakPolarHBondContact CA-O 3.42Å; W451-L477 HydrophobicContact CD2-CD1 4Å; W451-L477 HydrophobicContact CE3-CB 3.81Å; W451-L477 HydrophobicContact CE3-CD1 4.1Å; W451-L477 HydrophobicContact CH2-CB 4.18Å; W451-L477 HydrophobicContact CH2-CD1 4.01Å; W451-L477 HydrophobicContact CH2-CG 4.49Å; W451-L477 HydrophobicContact CZ2-CD1 3.89Å; W451-L477 HydrophobicContact CZ3-CB 3.62Å; W451-L477 HydrophobicContact CZ3-CD1 4.12Å; W451-L477 HydrophobicContact CZ3-CG 4.37Å |
| 452 | H | 88.8 | Confident | 75.1 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.5 | 172.1 | -171.3 | 52.2 | 0 | 0 | 0 | 110.7 | Q437 W438 I454 D476 I478 | Q437-H452 PolarHBondContact O-ND1 3.15Å; W438-H452 AromaticContact CD2-ND1 3.98Å; W438-H452 AromaticContact CE2-ND1 3.6Å; W438-H452 AromaticContact CZ2-ND1 3.8Å; W438-H452 AromaticContact NE1-ND1 3.87Å; H452-I454 VanDerWaalsContact CD2-CG1 3.46Å; H452-I454 WeakPolarHBondContact CD2-CG1 3.34Å; H452-D476 PolarHBondContact N-O 2.92Å; H452-D476 PolarHBondContact O-N 3.26Å; H452-I478 HydrophobicContact CB-CD1 3.42Å; H452-I478 VanDerWaalsContact CB-CD1 3.42Å; H452-I478 HydrophobicContact CB-CG1 3.84Å |
| 453 | L | 87.9 | Confident | 71.9 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.5 | 174.7 | -169.4 | 79.9 | 0 | 0 | 0 | 109.2 | A369 G370 Y375 I387 Q437 I439 V473 L475 | A369-L453 HydrophobicContact CB-CD2 4.11Å; G370-L453 VanDerWaalsContact CA-CD2 3.47Å; Y375-L453 HydrophobicContact CD2-CD2 3.93Å; Y375-L453 HydrophobicContact CE2-CD2 4.48Å; I387-L453 HydrophobicContact CD1-CD1 3.79Å; Q437-L453 WeakPolarHBondContact O-CB 3.4Å; Q437-L453 PolarHBondContact O-N 2.81Å; I439-L453 HydrophobicContact CD1-CB 3.94Å; L453-V473 HydrophobicContact CD1-CG1 3.32Å; L453-V473 HydrophobicContact CG-CG1 3.99Å; L453-L475 HydrophobicContact CB-CD1 3.85Å; L453-L475 HydrophobicContact CD1-CB 4.46Å; L453-L475 HydrophobicContact CD1-CD1 3.71Å; L453-L475 HydrophobicContact CG-CD1 4.43Å |
| 454 | I | 82.4 | Confident | 68.6 | Low | 73 Ų | 73 | 60.5 Ų | 60.5 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.5 | 177.9 | -56.3 | 171.4 | 0 | 0 | 0 | 107.8 | H452 V473 K474 D476 | H452-I454 VanDerWaalsContact CD2-CG1 3.46Å; H452-I454 WeakPolarHBondContact CD2-CG1 3.34Å; I454-V473 WeakPolarHBondContact O-CA 3.4Å; I454-K474 PolarHBondContact N-O 3Å; I454-K474 PolarHBondContact O-N 2.83Å; I454-D476 HydrophobicContact CD1-CB 4.33Å; I454-D476 WeakPolarHBondContact CD1-OD2 3.38Å |
| 455 | E | 77.2 | Confident | 65.3 | Low | 34 Ų | 34 | 64.8 Ų | 64.8 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.7 | 173.5 | -65.1 | 173.7 | -178.4 | 0 | 0 | 109.3 | G370 K371 Y375 | G370-E455 WeakPolarHBondContact CA-OE1 3.45Å; K371-E455 WeakPolarHBondContact CD-OE2 3.24Å; K371-E455 WeakPolarHBondContact CG-OE2 3.31Å; K371-E455 PolarHBondContact N-OE1 2.78Å; Y375-E455 HydrophobicContact CE2-CG 3.93Å; Y375-E455 WeakPolarHBondContact CE2-OE1 3.28Å |
| 456 | S | 67.1 | Low | 62.1 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | trans | -74.9 | 128 | 170.7 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | D458 P472 | S456-D458 PolarHBondContact O-N 3.06Å; S456-D458 VanDerWaalsContact O-N 3.12Å; S456-P472 PolarHBondContact N-O 2.96Å; S456-P472 PolarHBondContact OG-O 3.29Å | ||
| 457 | E | 53.6 | Low | 59.2 | Low | 147 Ų | 147 | 75.8 Ų | 75.8 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -68.5 | -9.2 | -173.5 | -64.1 | -168.5 | 155.4 | 0 | 0 | 114.9 | S459 T460 | E457-S459 PolarHBondContact O-N 3.13Å; E457-T460 PolarHBondContact O-N 3.06Å; E457-T460 PolarHBondContact O-OG1 2.62Å |
| 458 | D | 45.9 | Very low | 56.2 | Low | 127 Ų | 127 | 79.7 Ų | 79.7 | 68% | 0.679 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -68.4 | -0.6 | -178.8 | -76.7 | -14.6 | 0 | 0 | 0 | 115 | S456 | S456-D458 PolarHBondContact O-N 3.06Å; S456-D458 VanDerWaalsContact O-N 3.12Å |
| 459 | S | 45.2 | Very low | 53.5 | Low | 78 Ų | 78 | 86.4 Ų | 86.4 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -81.5 | -9.5 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | E457 | E457-S459 PolarHBondContact O-N 3.13Š|
| 460 | T | 37.3 | Very low | 51 | Low | 112 Ų | 112 | 90.3 Ų | 90.3 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -104 | -15 | -175.1 | 63.1 | 0 | 0 | 0 | 0 | 115.1 | E457 S462 | E457-T460 PolarHBondContact O-N 3.06Å; E457-T460 PolarHBondContact O-OG1 2.62Å; T460-S462 PolarHBondContact O-N 3.01Å |
| 461 | S | 28.5 | Very low | 49 | Very low | 78 Ų | 78 | 92.6 Ų | 92.6 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | trans | -87.8 | 104.7 | 178 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | S463 | S461-S463 PolarHBondContact O-N 2.88Å; S461-S463 VanDerWaalsContact O-N 3.08Å | ||
| 462 | S | 30.7 | Very low | 47.4 | Very low | 120 Ų | 120 | 94.2 Ų | 94.2 | 84% | 0.839 | 53% | 0.531 | S | S | * | . | trans | -60.1 | 98.8 | 164.4 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | T460 | T460-S462 PolarHBondContact O-N 3.01Š| ||
| 463 | S | 26.2 | Very low | 46.5 | Very low | 97 Ų | 97 | 93.1 Ų | 93.1 | 68% | 0.678 | 53% | 0.527 | S | S | * | . | trans | -156.4 | 127.7 | 156.2 | 58.2 | 0 | 0 | 0 | 0 | 111 | S461 | S461-S463 PolarHBondContact O-N 2.88Å; S461-S463 VanDerWaalsContact O-N 3.08Å | ||
| 464 | L | 25.9 | Very low | 45.9 | Very low | 154 Ų | 154 | 97.6 Ų | 97.6 | 81% | 0.806 | 55% | 0.546 | S | S | * | . | trans | -56.4 | 145.4 | 176.7 | -67.7 | 88.1 | 0 | 0 | 0 | 111.3 | ||||
| 465 | H | 24.4 | Very low | 45.8 | Very low | 171 Ų | 171 | 94.5 Ų | 94.5 | 79% | 0.792 | 53% | 0.53 | S | S | * | . | trans | 89.4 | 124.8 | 171.3 | -59.2 | -78.3 | 0 | 0 | 0 | 118.5 | ||||
| 466 | K | 25.4 | Very low | 46 | Very low | 189 Ų | 189 | 95 Ų | 95 | 82% | 0.822 | 53% | 0.533 | S | S | * | . | trans | 106.8 | 87.9 | 154.7 | -60.1 | 174.3 | -177.3 | 179 | 0 | 116.6 | S468 | K466-S468 VanDerWaalsContact C-N 3.27Å; K466-S468 PolarHBondContact O-N 3.29Å | ||
| 467 | S | 34.7 | Very low | 46.8 | Very low | 128 Ų | 128 | 96.3 Ų | 96.3 | 90% | 0.895 | 54% | 0.537 | S | S | * | . | 32.6 | 36 | 123.6 | 68.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 468 | S | 29.1 | Very low | 48.3 | Very low | 83 Ų | 83 | 90.6 Ų | 90.6 | 58% | 0.58 | 51% | 0.511 | S | S | * | . | trans | -123.9 | 75.8 | 164.6 | -161.7 | 0 | 0 | 0 | 0 | 110.1 | K466 N470 | K466-S468 VanDerWaalsContact C-N 3.27Å; K466-S468 PolarHBondContact O-N 3.29Å; S468-N470 VanDerWaalsContact C-N 3.25Å; S468-N470 PolarHBondContact O-N 2.85Å | ||
| 469 | K | 37.3 | Very low | 50.3 | Low | 140 Ų | 140 | 84.9 Ų | 84.9 | 61% | 0.609 | 48% | 0.481 | S | S | * | . | trans | -68.4 | 84.6 | 166.1 | -71.7 | 177.5 | 178 | 175 | 0 | 107.6 | K351 | K351-K469 WeakPolarHBondContact CE-O 3.2Å; K351-K469 PolarHBondContact NZ-O 3.08Å | ||
| 470 | N | 39.6 | Very low | 52.3 | Low | 82 Ų | 82 | 83.8 Ų | 83.8 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | trans | -69.7 | 143.7 | 161 | -79.6 | -12.3 | 0 | 0 | 0 | 107.9 | K351 S468 P472 | K351-N470 PolarHBondContact NZ-OD1 3.09Å; S468-N470 VanDerWaalsContact C-N 3.25Å; S468-N470 PolarHBondContact O-N 2.85Å; N470-P472 VanDerWaalsContact O-CD 3.24Å; N470-P472 WeakPolarHBondContact O-CD 3.49Å | ||
| 471 | V | 50.1 | Low | 54.7 | Low | 48 Ų | 48 | 80.5 Ų | 80.5 | 29% | 0.291 | 45% | 0.445 | S | S | . | . | trans | -56.5 | 114.3 | 161.6 | -178.5 | 0 | 0 | 0 | 0 | 105.3 | L352 V473 | L352-V471 HydrophobicContact CD2-CG2 4.44Å; V471-V473 WeakPolarHBondContact CG1-O 3.47Å; V471-V473 PolarHBondContact O-N 2.66Å | ||
| 472 | P | 58 | Low | 57.5 | Low | 39 Ų | 39 | 82.4 Ų | 82.4 | 25% | 0.253 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -69.6 | -10.4 | -165.3 | 25.1 | -33.2 | 0 | 0 | 0 | 113.3 | L389 S456 N470 | L389-P472 HydrophobicContact CD1-CG 3.8Å; L389-P472 HydrophobicContact CD2-CG 4.31Å; S456-P472 PolarHBondContact N-O 2.96Å; S456-P472 PolarHBondContact OG-O 3.29Å; N470-P472 VanDerWaalsContact O-CD 3.24Å; N470-P472 WeakPolarHBondContact O-CD 3.49Å |
| 473 | V | 70.2 | Confident | 60.2 | Low | 12 Ų | 12 | 84.7 Ų | 84.7 | 7% | 0.073 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134.8 | -169 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | Y375 I387 L389 L453 I454 V471 | Y375-V473 HydrophobicContact CD1-CG2 3.89Å; Y375-V473 HydrophobicContact CD2-CG2 4.23Å; Y375-V473 HydrophobicContact CE1-CB 4.48Å; Y375-V473 HydrophobicContact CE1-CG2 3.22Å; Y375-V473 HydrophobicContact CE2-CG2 3.59Å; Y375-V473 HydrophobicContact CG-CG2 4.35Å; Y375-V473 WeakPolarHBondContact OH-CG2 3.4Å; I387-V473 HydrophobicContact CD1-CG1 3.85Å; L389-V473 HydrophobicContact CD2-CB 4.12Å; L389-V473 HydrophobicContact CD2-CG2 3.92Å; L453-V473 HydrophobicContact CD1-CG1 3.32Å; L453-V473 HydrophobicContact CG-CG1 3.99Å; I454-V473 WeakPolarHBondContact O-CA 3.4Å; V471-V473 WeakPolarHBondContact CG1-O 3.47Å; V471-V473 PolarHBondContact O-N 2.66Å |
| 474 | K | 74.2 | Confident | 63.2 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.3 | 169.6 | -166.6 | -174.1 | -178.8 | -137.1 | 0 | 108.5 | I454 D476 | I454-K474 PolarHBondContact N-O 3Å; I454-K474 PolarHBondContact O-N 2.83Å; K474-D476 WeakPolarHBondContact CD-OD1 3.48Å; K474-D476 WeakPolarHBondContact CE-OD1 3.3Å; K474-D476 WeakPolarHBondContact CG-OD1 3.4Å; K474-D476 IonicContact NZ-OD1 2.8Å; K474-D476 PolarHBondContact NZ-OD1 3.39Å; K474-D476 IonicContact NZ-OD2 3.47Å; K474-D476 PolarHBondContact NZ-OD2 3.06Å |
| 475 | L | 81.2 | Confident | 66.4 | Low | 9 Ų | 9 | 73 Ų | 73 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.1 | 167.5 | -165.8 | 75.2 | 0 | 0 | 0 | 108.3 | M385 I419 I439 W451 L453 | M385-L475 HydrophobicContact CE-CD2 3.63Å; I419-L475 HydrophobicContact CD1-CB 4.02Å; I419-L475 HydrophobicContact CD1-CD2 3.51Å; I419-L475 HydrophobicContact CD1-CG 4.37Å; I419-L475 HydrophobicContact CG1-CB 4.16Å; I419-L475 HydrophobicContact CG1-CD2 4.33Å; I419-L475 HydrophobicContact CG2-CB 4.26Å; I419-L475 HydrophobicContact CG2-CD2 4.09Å; I439-L475 HydrophobicContact CD1-CD1 3.6Å; W451-L475 HydrophobicContact CB-CD1 3.88Å; W451-L475 HydrophobicContact CB-CD2 3.81Å; W451-L475 HydrophobicContact CB-CG 3.81Å; W451-L475 HydrophobicContact CD2-CD2 4.03Å; W451-L475 HydrophobicContact CD2-CG 4.49Å; W451-L475 HydrophobicContact CE3-CD2 3.89Å; W451-L475 HydrophobicContact CE3-CG 4.08Å; W451-L475 HydrophobicContact CG-CD2 4.01Å; W451-L475 HydrophobicContact CG-CG 4.42Å; L453-L475 HydrophobicContact CB-CD1 3.85Å; L453-L475 HydrophobicContact CD1-CB 4.46Å; L453-L475 HydrophobicContact CD1-CD1 3.71Å; L453-L475 HydrophobicContact CG-CD1 4.43Å |
| 476 | D | 82 | Confident | 69.5 | Low | 43 Ų | 43 | 68.8 Ų | 68.8 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.4 | -179.7 | -81.2 | -9.8 | 0 | 0 | 0 | 110.6 | W451 H452 I454 K474 I478 | W451-D476 CarbonylContact C-O 3.53Å; W451-D476 VanDerWaalsContact CA-O 3.25Å; W451-D476 WeakPolarHBondContact CA-O 3.42Å; H452-D476 PolarHBondContact N-O 2.92Å; H452-D476 PolarHBondContact O-N 3.26Å; I454-D476 HydrophobicContact CD1-CB 4.33Å; I454-D476 WeakPolarHBondContact CD1-OD2 3.38Å; K474-D476 WeakPolarHBondContact CD-OD1 3.48Å; K474-D476 WeakPolarHBondContact CE-OD1 3.3Å; K474-D476 WeakPolarHBondContact CG-OD1 3.4Å; K474-D476 IonicContact NZ-OD1 2.8Å; K474-D476 PolarHBondContact NZ-OD1 3.39Å; K474-D476 IonicContact NZ-OD2 3.47Å; K474-D476 PolarHBondContact NZ-OD2 3.06Å; D476-I478 PolarHBondContact O-N 3.34Å |
| 477 | L | 83.8 | Confident | 72.7 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 115.4 | 167.3 | -179.5 | 63.6 | 0 | 0 | 0 | 108.2 | C449 W451 Q480 | C449-L477 HydrophobicContact CB-CD1 3.74Å; W451-L477 HydrophobicContact CD2-CD1 4Å; W451-L477 HydrophobicContact CE3-CB 3.81Å; W451-L477 HydrophobicContact CE3-CD1 4.1Å; W451-L477 HydrophobicContact CH2-CB 4.18Å; W451-L477 HydrophobicContact CH2-CD1 4.01Å; W451-L477 HydrophobicContact CH2-CG 4.49Å; W451-L477 HydrophobicContact CZ2-CD1 3.89Å; W451-L477 HydrophobicContact CZ3-CB 3.62Å; W451-L477 HydrophobicContact CZ3-CD1 4.12Å; W451-L477 HydrophobicContact CZ3-CG 4.37Å; L477-Q480 HydrophobicContact CD2-CB 4.46Å |
| 478 | I | 84.9 | Confident | 75.6 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -48.4 | 179.5 | -50.1 | 163.5 | 0 | 0 | 0 | 109.1 | W438 L450 H452 D476 L520 P523 V526 | W438-I478 HydrophobicContact CE3-CD1 3.62Å; W438-I478 HydrophobicContact CH2-CD1 3.59Å; W438-I478 HydrophobicContact CZ3-CD1 3Å; W438-I478 HydrophobicContact CZ3-CG1 4.49Å; L450-I478 HydrophobicContact CG-CD1 4.39Å; L450-I478 PolarHBondContact O-N 3.42Å; H452-I478 HydrophobicContact CB-CD1 3.42Å; H452-I478 VanDerWaalsContact CB-CD1 3.42Å; H452-I478 HydrophobicContact CB-CG1 3.84Å; D476-I478 PolarHBondContact O-N 3.34Å; I478-L520 HydrophobicContact CD1-CD2 4.45Å; I478-L520 HydrophobicContact CG2-CD2 4.22Å; I478-P523 HydrophobicContact CG2-CB 4.41Å; I478-P523 WeakPolarHBondContact O-CB 3.33Å; I478-V526 HydrophobicContact CG2-CG2 4.33Å |
| 479 | T | 87.1 | Confident | 78.8 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.2 | -174.7 | 67.5 | 0 | 0 | 0 | 0 | 111.3 | C449 L450 P523 V526 L527 | C449-T479 WeakPolarHBondContact CA-O 3.4Å; L450-T479 VanDerWaalsContact CB-OG1 3.23Å; L450-T479 WeakPolarHBondContact CB-OG1 3.33Å; L450-T479 PolarHBondContact N-O 3Å; L450-T479 PolarHBondContact O-N 3.45Å; T479-P523 VanDerWaalsContact CG2-C 3.46Å; T479-P523 HydrophobicContact CG2-CB 3.96Å; T479-P523 WeakPolarHBondContact CG2-O 3.47Å; T479-V526 HydrophobicContact CG2-CB 3.76Å; T479-V526 HydrophobicContact CG2-CG1 4.41Å; T479-V526 HydrophobicContact CG2-CG2 4.21Å; T479-L527 WeakPolarHBondContact OG1-CD1 3.48Å |
| 480 | Q | 87.5 | Confident | 81.5 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 118.4 | 170.2 | 175 | 172.4 | 17.8 | 0 | 0 | 108.9 | G422 C449 L477 H482 | G422-Q480 PolarHBondContact O-NE2 3.03Å; C449-Q480 VanDerWaalsContact SG-CG 3.53Å; L477-Q480 HydrophobicContact CD2-CB 4.46Å; Q480-H482 PolarHBondContact NE2-CE1 3.44Å; Q480-H482 PolarHBondContact NE2-ND1 3.5Å; Q480-H482 PolarHBondContact OE1-CE1 2.93Å |
| 481 | I | 88.8 | Confident | 84.2 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 100.7 | 171.6 | -59.8 | -179.6 | 0 | 0 | 0 | 107.6 | S447 I448 A484 W513 L527 | S447-I481 WeakPolarHBondContact CA-O 3.12Å; S447-I481 VanDerWaalsContact CB-O 3.25Å; S447-I481 WeakPolarHBondContact CB-O 3.43Å; I448-I481 PolarHBondContact N-O 3.43Å; I448-I481 VanDerWaalsContact N-O 3.15Å; I448-I481 PolarHBondContact O-N 3.28Å; I481-A484 HydrophobicContact CB-CB 4.26Å; I481-A484 HydrophobicContact CG2-CB 3.8Å; I481-W513 HydrophobicContact CD1-CE3 3.85Å; I481-W513 HydrophobicContact CD1-CH2 4.49Å; I481-W513 HydrophobicContact CD1-CZ3 3.63Å; I481-W513 HydrophobicContact CG2-CH2 4.4Å; I481-W513 HydrophobicContact CG2-CZ3 4.35Å; I481-L527 HydrophobicContact CD1-CB 3.57Å; I481-L527 HydrophobicContact CD1-CD1 4.1Å; I481-L527 HydrophobicContact CG1-CB 4.44Å |
| 482 | H | 86.6 | Confident | 86.3 | Confident | 118 Ų | 118 | 41.3 Ų | 41.3 | 55% | 0.546 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 140.2 | 171.4 | -62.3 | -76.1 | 0 | 0 | 0 | 111 | Q480 A484 | Q480-H482 PolarHBondContact NE2-CE1 3.44Å; Q480-H482 PolarHBondContact NE2-ND1 3.5Å; Q480-H482 PolarHBondContact OE1-CE1 2.93Å; H482-A484 PolarHBondContact O-N 2.88Å |
| 483 | K | 86.7 | Confident | 88.1 | Confident | 167 Ų | 167 | 39.8 Ų | 39.8 | 73% | 0.726 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.4 | -178 | -56.6 | -178.3 | 179.2 | -179.7 | 0 | 112.7 | Q446 H485 | Q446-K483 CarbonylContact O-C 3.45Å; Q446-K483 WeakPolarHBondContact O-CA 3.21Å; Q446-K483 PolarHBondContact O-N 3.49Å; K483-H485 CarbonylContact C-O 3.53Å; K483-H485 PolarHBondContact O-N 3.31Å |
| 484 | A | 89.5 | Confident | 89.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -55.8 | -34.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q446 I448 I481 H482 K511 W513 | Q446-A484 PolarHBondContact O-N 2.83Å; I448-A484 HydrophobicContact CB-CB 4.22Å; I448-A484 HydrophobicContact CD1-CB 3.64Å; I448-A484 HydrophobicContact CG1-CB 3.68Å; I481-A484 HydrophobicContact CB-CB 4.26Å; I481-A484 HydrophobicContact CG2-CB 3.8Å; H482-A484 PolarHBondContact O-N 2.88Å; A484-K511 WeakPolarHBondContact O-CD 3.29Å; A484-K511 WeakPolarHBondContact O-CE 3.33Å; A484-K511 PolarHBondContact O-NZ 2.9Å; A484-W513 HydrophobicContact CB-CH2 3.74Å; A484-W513 HydrophobicContact CB-CZ2 3.84Å |
| 485 | H | 92.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -122.7 | 165.5 | 170.1 | -74.1 | -93.3 | 0 | 0 | 0 | 111.2 | Q446 K483 I489 S503 | Q446-H485 PolarHBondContact O-N 3.21Å; K483-H485 CarbonylContact C-O 3.53Å; K483-H485 PolarHBondContact O-N 3.31Å; H485-I489 HydrophobicContact CB-CG1 4.24Å; H485-S503 PolarHBondContact NE2-OG 3.25Å |
| 486 | A | 90.5 | Very high | 90.5 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 69% | 0.686 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -84.5 | -16.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q446 | Q446-A486 PolarHBondContact NE2-O 3.36Å; Q446-A486 VanDerWaalsContact NE2-O 3.15Å |
| 487 | A | 93.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -127.7 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | I489 S505 D507 | A487-I489 PolarHBondContact O-N 3.39Å; A487-S505 VanDerWaalsContact CB-OG 3.28Å; A487-S505 WeakPolarHBondContact CB-OG 3.26Å; A487-S505 PolarHBondContact O-OG 3.48Å; A487-D507 HydrophobicContact CB-CB 4Å |
| 488 | H | 94.8 | Very high | 91 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 26% | 0.259 | 21% | 0.207 | S | C | . | . | trans | -57.2 | 135.7 | -179.3 | -56.5 | -44.4 | 0 | 0 | 0 | 110.6 | K444 S505 E506 | K444-H488 HydrophobicContact CG-CB 4.16Å; K444-H488 VanDerWaalsContact CG-CE1 3.47Å; K444-H488 WeakPolarHBondContact CG-CE1 2.82Å; K444-H488 VanDerWaalsContact CG-ND1 3.27Å; K444-H488 WeakPolarHBondContact CG-ND1 3.4Å; K444-H488 PolarHBondContact O-CE1 2.98Å; K444-H488 PolarHBondContact O-ND1 3.39Å; H488-S505 CarbonylContact O-C 3.51Å; H488-S505 VanDerWaalsContact O-CA 3.23Å; H488-S505 WeakPolarHBondContact O-CA 3.24Å; H488-S505 WeakPolarHBondContact O-CB 3.44Å; H488-S505 PolarHBondContact O-OG 3.01Å; H488-E506 HydrophobicContact CB-CG 3.98Å; H488-E506 IonicContact CD2-OE2 2.93Å; H488-E506 PolarHBondContact CD2-OE2 2.85Å; H488-E506 VanDerWaalsContact CD2-OE2 3.29Å; H488-E506 IonicContact CG-OE2 2.9Å; H488-E506 PolarHBondContact O-N 2.92Å | ||
| 489 | I | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131 | 176.7 | -68.2 | 154.6 | 0 | 0 | 0 | 107.7 | M428 S443 Q446 S447 I448 H485 A487 V492 S504 | M428-I489 WeakPolarHBondContact CB-O 3.18Å; M428-I489 WeakPolarHBondContact CG-O 3.35Å; S443-I489 PolarHBondContact O-N 3.46Å; Q446-I489 VanDerWaalsContact C-CD1 3.48Å; S447-I489 WeakPolarHBondContact O-CD1 3.44Å; I448-I489 HydrophobicContact CD1-CD1 4.38Å; I448-I489 HydrophobicContact CG1-CD1 3.52Å; H485-I489 HydrophobicContact CB-CG1 4.24Å; A487-I489 PolarHBondContact O-N 3.39Å; I489-V492 HydrophobicContact CG2-CG2 3.67Å; I489-S504 CarbonylContact C-O 3.57Å; I489-S504 WeakPolarHBondContact CA-O 3.45Å; I489-S504 WeakPolarHBondContact CG2-O 3.47Å |
| 490 | S | 94.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 41.6 Ų | 41.6 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -32.4 | -172.9 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | S504 I541 | S490-S504 PolarHBondContact N-O 3.43Å; S490-S504 PolarHBondContact OG-O 3.5Å; S490-S504 PolarHBondContact OG-OG 2.86Å; S490-I541 WeakPolarHBondContact CB-O 3.45Å; S490-I541 PolarHBondContact OG-O 2.86Å |
| 491 | S | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 153.6 | 174.9 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | D429 S503 S504 I544 | D429-S491 WeakPolarHBondContact OD2-CA 3.48Å; D429-S491 VanDerWaalsContact OD2-CB 3.27Å; D429-S491 WeakPolarHBondContact OD2-CB 3.29Å; S491-S503 CarbonylContact O-C 3.59Å; S491-S503 WeakPolarHBondContact O-CA 3.48Å; S491-S504 PolarHBondContact N-OG 3.34Å; S491-S504 PolarHBondContact O-N 2.83Å; S491-S504 PolarHBondContact O-OG 3.37Å; S491-S504 PolarHBondContact OG-OG 3.2Å; S491-I544 WeakPolarHBondContact OG-CD1 3.49Å; S491-I544 WeakPolarHBondContact OG-CG1 3.37Å |
| 492 | V | 95.7 | Very high | 92 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133.9 | -177.2 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | D429 T431 A440 I489 L501 I502 | D429-V492 PolarHBondContact OD2-N 2.87Å; T431-V492 WeakPolarHBondContact CB-O 3.49Å; T431-V492 HydrophobicContact CG2-CB 4.38Å; T431-V492 HydrophobicContact CG2-CG1 3.88Å; T431-V492 WeakPolarHBondContact CG2-O 3.4Å; A440-V492 HydrophobicContact CB-CG1 4.11Å; I489-V492 HydrophobicContact CG2-CG2 3.67Å; V492-L501 HydrophobicContact CG1-CD1 3.48Å; V492-L501 VanDerWaalsContact CG1-CD1 3.48Å; V492-L501 HydrophobicContact CG1-CD2 4.11Å; V492-L501 HydrophobicContact CG1-CG 3.9Å; V492-I502 CarbonylContact C-O 3.59Å; V492-I502 VanDerWaalsContact CA-O 3.31Å; V492-I502 WeakPolarHBondContact CA-O 3.25Å |
| 493 | C | 95.5 | Very high | 92.4 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 5% | 0.054 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 132.6 | -178.6 | -166.5 | 0 | 0 | 0 | 0 | 112 | I502 I544 | C493-I502 PolarHBondContact N-O 3.46Å; C493-I502 PolarHBondContact O-N 3.39Å; C493-I544 HydrophobicContact CB-CB 4.08Å; C493-I544 HydrophobicContact CB-CG2 3.88Å |
| 494 | F | 94.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 146.8 | 169.9 | -79.3 | -69.6 | 0 | 0 | 0 | 111.9 | T431 W438 A440 L450 L501 V515 | T431-F494 HydrophobicContact CG2-CD2 3.56Å; T431-F494 HydrophobicContact CG2-CE2 3.92Å; T431-F494 HydrophobicContact CG2-CG 4.33Å; W438-F494 HydrophobicContact CB-CZ 4.34Å; A440-F494 HydrophobicContact CB-CD2 4.45Å; A440-F494 HydrophobicContact CB-CE1 4.4Å; A440-F494 HydrophobicContact CB-CE2 3.57Å; A440-F494 HydrophobicContact CB-CZ 3.53Å; L450-F494 HydrophobicContact CD1-CE1 4.2Å; L450-F494 HydrophobicContact CD1-CZ 3.63Å; F494-L501 HydrophobicContact CD1-CB 4.31Å; F494-L501 HydrophobicContact CD1-CD1 3.65Å; F494-L501 HydrophobicContact CD2-CD1 4.25Å; F494-L501 HydrophobicContact CE1-CB 4.36Å; F494-L501 HydrophobicContact CE1-CD1 3.72Å; F494-L501 HydrophobicContact CE2-CD1 4.3Å; F494-L501 HydrophobicContact CG-CD1 3.93Å; F494-L501 HydrophobicContact CZ-CD1 4.05Å; F494-V515 HydrophobicContact CE1-CG1 4.41Å; F494-V515 HydrophobicContact CE1-CG2 4.14Å |
| 495 | D | 91.6 | Very high | 93 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | trans | -67.9 | 155.9 | 159.7 | -170.2 | 31.2 | 0 | 0 | 0 | 111.6 | L497 T498 H500 V546 N550 | D495-L497 PolarHBondContact O-N 3.01Å; D495-T498 PolarHBondContact O-N 3.29Å; D495-H500 HydrophobicContact CB-CB 4.13Å; D495-H500 WeakPolarHBondContact CB-O 3.41Å; D495-H500 PolarHBondContact N-O 2.93Å; D495-V546 VanDerWaalsContact OD1-CG1 3.3Å; D495-V546 WeakPolarHBondContact OD1-CG1 3.4Å; D495-N550 WeakPolarHBondContact OD1-CB 3.36Å; D495-N550 PolarHBondContact OD1-ND2 3.09Å; D495-N550 VanDerWaalsContact OD1-ND2 3.07Å; D495-N550 PolarHBondContact OD1-OD1 3.42Å; D495-N550 WeakPolarHBondContact OD2-CB 3.44Å; D495-N550 VanDerWaalsContact OD2-CG 3.24Å; D495-N550 PolarHBondContact OD2-ND2 2.89Å | ||
| 496 | R | 89.5 | Confident | 93 | Very high | 58 Ų | 58 | 26.8 Ų | 26.8 | 22% | 0.219 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.5 | -176.2 | -54.3 | -64.6 | -175.6 | -108.3 | 5.7 | 113.8 | T434 T498 D545 V546 N550 | T434-R496 HydrophobicContact CG2-CB 4.13Å; T434-R496 VanDerWaalsContact CG2-O 3.28Å; T434-R496 WeakPolarHBondContact CG2-O 3.41Å; T434-R496 PolarHBondContact OG1-O 3.28Å; R496-T498 VanDerWaalsContact C-N 3.33Å; R496-D545 IonicContact CZ-OD1 3.19Å; R496-D545 IonicContact NH1-OD1 2.75Å; R496-D545 PolarHBondContact NH1-OD1 3.46Å; R496-D545 IonicContact NH2-OD1 3.47Å; R496-D545 PolarHBondContact NH2-OD1 2.97Å; R496-D545 IonicContact NH2-OD2 3.67Å; R496-V546 PolarHBondContact NH1-O 3.08Å; R496-V546 PolarHBondContact NH2-O 3.2Å; R496-N550 WeakPolarHBondContact CB-OD1 3.27Å; R496-N550 WeakPolarHBondContact CG-OD1 3.19Å; R496-N550 PolarHBondContact N-OD1 2.87Å |
| 497 | L | 86.9 | Confident | 93 | Very high | 119 Ų | 119 | 26.1 Ų | 26.1 | 62% | 0.623 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.4 | 174.6 | -72.2 | 170.2 | 0 | 0 | 0 | 113 | D495 T499 N550 | D495-L497 PolarHBondContact O-N 3.01Å; L497-T499 HydrophobicContact CB-CG2 4.12Å; L497-T499 PolarHBondContact O-N 3.18Å; L497-N550 WeakPolarHBondContact CD1-ND2 3.45Å; L497-N550 WeakPolarHBondContact CG-ND2 3.3Å; L497-N550 PolarHBondContact N-ND2 2.8Å |
| 498 | T | 88.4 | Confident | 92.8 | Very high | 26 Ų | 26 | 25 Ų | 25 | 16% | 0.16 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 55.4 | 21.7 | -179 | 70.3 | 0 | 0 | 0 | 0 | 114 | S433 D495 R496 | S433-T498 VanDerWaalsContact CB-CG2 3.4Å; D495-T498 PolarHBondContact O-N 3.29Å; R496-T498 VanDerWaalsContact C-N 3.33Å |
| 499 | T | 89.4 | Confident | 92.7 | Very high | 54 Ų | 54 | 23.5 Ų | 23.5 | 33% | 0.331 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -89.4 | -27.5 | 178 | 50 | 0 | 0 | 0 | 0 | 112.2 | L497 N514 V515 | L497-T499 HydrophobicContact CB-CG2 4.12Å; L497-T499 PolarHBondContact O-N 3.18Å; T499-N514 PolarHBondContact O-OD1 2.93Å; T499-V515 PolarHBondContact O-N 3.45Å |
| 500 | H | 91.9 | Very high | 92.6 | Very high | 28 Ų | 28 | 23.5 Ų | 23.5 | 13% | 0.13 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.5 | -179.5 | -59 | -49.8 | 0 | 0 | 0 | 110.5 | D495 V512 W513 F567 | D495-H500 HydrophobicContact CB-CB 4.13Å; D495-H500 WeakPolarHBondContact CB-O 3.41Å; D495-H500 PolarHBondContact N-O 2.93Å; H500-V512 HydrophobicContact CB-CG1 4.35Å; H500-W513 CarbonylContact C-O 3.59Å; H500-W513 VanDerWaalsContact CA-O 3.26Å; H500-W513 WeakPolarHBondContact CA-O 3.39Å; H500-F567 AromaticContact CD2-CE1 3.63Å; H500-F567 AromaticContact CD2-CZ 3.55Å; H500-F567 AromaticContact NE2-CE1 3.74Å; H500-F567 AromaticContact NE2-CZ 3.81Å |
| 501 | L | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.6 | 170.8 | -179.8 | 75.5 | 0 | 0 | 0 | 107.3 | T431 A440 I448 V492 F494 W513 V515 L527 | T431-L501 HydrophobicContact CG2-CD1 4.15Å; A440-L501 HydrophobicContact CB-CD1 3.61Å; A440-L501 HydrophobicContact CB-CD2 3.95Å; A440-L501 HydrophobicContact CB-CG 4.45Å; I448-L501 HydrophobicContact CG2-CD2 3.93Å; V492-L501 HydrophobicContact CG1-CD1 3.48Å; V492-L501 VanDerWaalsContact CG1-CD1 3.48Å; V492-L501 HydrophobicContact CG1-CD2 4.11Å; V492-L501 HydrophobicContact CG1-CG 3.9Å; F494-L501 HydrophobicContact CD1-CB 4.31Å; F494-L501 HydrophobicContact CD1-CD1 3.65Å; F494-L501 HydrophobicContact CD2-CD1 4.25Å; F494-L501 HydrophobicContact CE1-CB 4.36Å; F494-L501 HydrophobicContact CE1-CD1 3.72Å; F494-L501 HydrophobicContact CE2-CD1 4.3Å; F494-L501 HydrophobicContact CG-CD1 3.93Å; F494-L501 HydrophobicContact CZ-CD1 4.05Å; L501-W513 HydrophobicContact CB-CB 4.17Å; L501-W513 PolarHBondContact N-O 3.08Å; L501-W513 VanDerWaalsContact O-CD1 3.31Å; L501-W513 PolarHBondContact O-N 3.49Å; L501-V515 HydrophobicContact CB-CG2 3.61Å; L501-L527 HydrophobicContact CD2-CD2 4.25Å |
| 502 | I | 94.7 | Very high | 92.4 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.4 | 178.4 | -54 | 178.7 | 0 | 0 | 0 | 107.2 | V492 C493 L510 K511 I544 V546 V553 | V492-I502 CarbonylContact C-O 3.59Å; V492-I502 VanDerWaalsContact CA-O 3.31Å; V492-I502 WeakPolarHBondContact CA-O 3.25Å; C493-I502 PolarHBondContact N-O 3.46Å; C493-I502 PolarHBondContact O-N 3.39Å; I502-L510 HydrophobicContact CG2-CD2 3.61Å; I502-L510 HydrophobicContact CG2-CG 3.99Å; I502-K511 WeakPolarHBondContact CA-O 3.09Å; I502-I544 HydrophobicContact CG2-CD1 4.14Å; I502-I544 HydrophobicContact CG2-CG2 4.28Å; I502-V546 HydrophobicContact CD1-CG2 3.89Å; I502-V553 HydrophobicContact CD1-CB 4.21Å; I502-V553 HydrophobicContact CD1-CG1 3.69Å; I502-V553 HydrophobicContact CD1-CG2 3.45Å; I502-V553 VanDerWaalsContact CD1-CG2 3.45Å |
| 503 | S | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.8 | 173.3 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | I448 H485 S491 K511 W513 | I448-S503 WeakPolarHBondContact CD1-OG 3.37Å; H485-S503 PolarHBondContact NE2-OG 3.25Å; S491-S503 CarbonylContact O-C 3.59Å; S491-S503 WeakPolarHBondContact O-CA 3.48Å; S503-K511 PolarHBondContact N-O 2.87Å; S503-K511 PolarHBondContact O-N 3.23Å; S503-W513 PolarHBondContact OG-NE1 2.71Å |
| 504 | S | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 158.2 | 171.6 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | I489 S490 S491 I509 | I489-S504 CarbonylContact C-O 3.57Å; I489-S504 WeakPolarHBondContact CA-O 3.45Å; I489-S504 WeakPolarHBondContact CG2-O 3.47Å; S490-S504 PolarHBondContact N-O 3.43Å; S490-S504 PolarHBondContact OG-O 3.5Å; S490-S504 PolarHBondContact OG-OG 2.86Å; S491-S504 PolarHBondContact N-OG 3.34Å; S491-S504 PolarHBondContact O-N 2.83Å; S491-S504 PolarHBondContact O-OG 3.37Å; S491-S504 PolarHBondContact OG-OG 3.2Å; S504-I509 WeakPolarHBondContact CA-O 3.41Å |
| 505 | S | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 162.3 | 170.7 | -176.8 | 0 | 0 | 0 | 0 | 112 | A487 H488 D507 G508 I509 | A487-S505 VanDerWaalsContact CB-OG 3.28Å; A487-S505 WeakPolarHBondContact CB-OG 3.26Å; A487-S505 PolarHBondContact O-OG 3.48Å; H488-S505 CarbonylContact O-C 3.51Å; H488-S505 VanDerWaalsContact O-CA 3.23Å; H488-S505 WeakPolarHBondContact O-CA 3.24Å; H488-S505 WeakPolarHBondContact O-CB 3.44Å; H488-S505 PolarHBondContact O-OG 3.01Å; S505-D507 VanDerWaalsContact CB-OD1 3.24Å; S505-D507 WeakPolarHBondContact CB-OD1 3.47Å; S505-D507 PolarHBondContact O-N 3.05Å; S505-D507 PolarHBondContact OG-OD1 3.01Å; S505-G508 PolarHBondContact O-N 3.45Å; S505-I509 PolarHBondContact N-O 2.78Å |
| 506 | E | 92.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 29.4 Ų | 29.4 | 34% | 0.341 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.1 | 176.5 | -70.9 | -169.9 | 163.2 | 0 | 0 | 113.9 | H488 G508 V540 | H488-E506 HydrophobicContact CB-CG 3.98Å; H488-E506 IonicContact CD2-OE2 2.93Å; H488-E506 PolarHBondContact CD2-OE2 2.85Å; H488-E506 VanDerWaalsContact CD2-OE2 3.29Å; H488-E506 IonicContact CG-OE2 2.9Å; H488-E506 PolarHBondContact O-N 2.92Å; E506-G508 PolarHBondContact O-N 3.09Å; E506-V540 HydrophobicContact CB-CG1 4.4Å; E506-V540 HydrophobicContact CB-CG2 4.05Å; E506-V540 HydrophobicContact CG-CG1 4.01Å; E506-V540 HydrophobicContact CG-CG2 4.27Å; E506-V540 WeakPolarHBondContact O-CG2 3.5Å |
| 507 | D | 90.9 | Very high | 90.9 | Very high | 68 Ų | 68 | 27.8 Ų | 27.8 | 36% | 0.364 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -1.6 | 174.2 | 64.8 | 6.5 | 0 | 0 | 0 | 113.8 | A487 S505 I509 | A487-D507 HydrophobicContact CB-CB 4Å; S505-D507 VanDerWaalsContact CB-OD1 3.24Å; S505-D507 WeakPolarHBondContact CB-OD1 3.47Å; S505-D507 PolarHBondContact O-N 3.05Å; S505-D507 PolarHBondContact OG-OD1 3.01Å; D507-I509 VanDerWaalsContact OD1-CB 3.26Å; D507-I509 WeakPolarHBondContact OD1-CB 3.39Å; D507-I509 VanDerWaalsContact OD1-CG1 3.3Å; D507-I509 WeakPolarHBondContact OD1-CG1 3.19Å; D507-I509 PolarHBondContact OD1-N 2.84Å; D507-I509 WeakPolarHBondContact OD2-CD1 3.12Å |
| 508 | G | 88.7 | Confident | 90.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 80.7 | 14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S505 E506 A536 | S505-G508 PolarHBondContact O-N 3.45Å; E506-G508 PolarHBondContact O-N 3.09Å; G508-A536 VanDerWaalsContact O-CB 3.29Å; G508-A536 WeakPolarHBondContact O-CB 3.24Å; G508-A536 PolarHBondContact O-N 2.81Å |
| 509 | I | 92.6 | Very high | 89.2 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 13% | 0.128 | 16% | 0.163 | C | C | . | . | trans | -83.2 | 138.5 | 171.9 | -61.7 | 178.2 | 0 | 0 | 0 | 110 | S504 S505 D507 K511 T532 I533 | S504-I509 WeakPolarHBondContact CA-O 3.41Å; S505-I509 PolarHBondContact N-O 2.78Å; D507-I509 VanDerWaalsContact OD1-CB 3.26Å; D507-I509 WeakPolarHBondContact OD1-CB 3.39Å; D507-I509 VanDerWaalsContact OD1-CG1 3.3Å; D507-I509 WeakPolarHBondContact OD1-CG1 3.19Å; D507-I509 PolarHBondContact OD1-N 2.84Å; D507-I509 WeakPolarHBondContact OD2-CD1 3.12Å; I509-K511 HydrophobicContact CG2-CG 4.32Å; I509-T532 HydrophobicContact CG2-CG2 3.73Å; I509-I533 WeakPolarHBondContact CA-O 3.29Å | ||
| 510 | L | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.3 | 171 | -143.7 | 96.9 | 0 | 0 | 0 | 109.7 | I502 I533 A536 I541 I544 T555 L572 | I502-L510 HydrophobicContact CG2-CD2 3.61Å; I502-L510 HydrophobicContact CG2-CG 3.99Å; L510-I533 HydrophobicContact CB-CB 4.23Å; L510-I533 HydrophobicContact CB-CD1 4.1Å; L510-I533 HydrophobicContact CD2-CD1 4.2Å; L510-I533 PolarHBondContact N-O 2.9Å; L510-I533 PolarHBondContact O-N 3.1Å; L510-A536 HydrophobicContact CB-CB 4.33Å; L510-I541 HydrophobicContact CD1-CD1 3.68Å; L510-I544 HydrophobicContact CD1-CD1 4.09Å; L510-T555 HydrophobicContact CD1-CG2 3.73Å; L510-T555 HydrophobicContact CD2-CG2 4.47Å; L510-L572 HydrophobicContact CD2-CD2 3.61Å |
| 511 | K | 93.2 | Very high | 87.2 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.2 | 174.2 | -74.9 | -174 | 174.9 | -156 | 0 | 111 | A484 I502 S503 I509 W513 E529 N531 T532 | A484-K511 WeakPolarHBondContact O-CD 3.29Å; A484-K511 WeakPolarHBondContact O-CE 3.33Å; A484-K511 PolarHBondContact O-NZ 2.9Å; I502-K511 WeakPolarHBondContact CA-O 3.09Å; S503-K511 PolarHBondContact N-O 2.87Å; S503-K511 PolarHBondContact O-N 3.23Å; I509-K511 HydrophobicContact CG2-CG 4.32Å; K511-W513 HydrophobicContact CB-CZ2 3.94Å; K511-W513 HydrophobicContact CD-CH2 4.05Å; K511-W513 HydrophobicContact CD-CZ2 3.52Å; K511-W513 HydrophobicContact CG-CZ2 4.39Å; K511-E529 VanDerWaalsContact CD-OE1 3.29Å; K511-E529 WeakPolarHBondContact CD-OE1 3.34Å; K511-E529 WeakPolarHBondContact CE-OE1 3.04Å; K511-E529 VanDerWaalsContact NZ-CD 3.26Å; K511-E529 IonicContact NZ-OE1 2.58Å; K511-E529 PolarHBondContact NZ-OE1 3.02Å; K511-E529 IonicContact NZ-OE2 2.86Å; K511-E529 PolarHBondContact NZ-OE2 3.36Å; K511-N531 WeakPolarHBondContact CA-O 3.07Å; K511-T532 HydrophobicContact CD-CG2 4.49Å; K511-T532 HydrophobicContact CG-CG2 3.9Å |
| 512 | V | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.3 | 170.8 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | H500 L530 N531 F567 L572 | H500-V512 HydrophobicContact CB-CG1 4.35Å; V512-L530 HydrophobicContact CB-CB 4.43Å; V512-L530 HydrophobicContact CG1-CB 4.45Å; V512-L530 HydrophobicContact CG1-CD1 4.19Å; V512-L530 WeakPolarHBondContact O-CB 3.41Å; V512-L530 PolarHBondContact O-N 2.93Å; V512-N531 HydrophobicContact CB-CB 4.44Å; V512-N531 HydrophobicContact CG2-CB 4.47Å; V512-N531 PolarHBondContact N-O 3.49Å; V512-N531 PolarHBondContact O-N 2.99Å; V512-F567 HydrophobicContact CG1-CE2 3.92Å; V512-F567 HydrophobicContact CG1-CZ 4.27Å; V512-F567 HydrophobicContact CG2-CE2 4.36Å; V512-L572 HydrophobicContact CG2-CD1 3.1Å |
| 513 | W | 92.8 | Very high | 84.7 | Confident | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.3 | 178.9 | -47.4 | 81.9 | 0 | 0 | 0 | 109.1 | I448 I481 A484 H500 L501 S503 K511 L527 S528 E529 | I448-W513 HydrophobicContact CD1-CD2 4.36Å; I448-W513 HydrophobicContact CD1-CH2 4.4Å; I448-W513 HydrophobicContact CD1-CZ2 3.55Å; I481-W513 HydrophobicContact CD1-CE3 3.85Å; I481-W513 HydrophobicContact CD1-CH2 4.49Å; I481-W513 HydrophobicContact CD1-CZ3 3.63Å; I481-W513 HydrophobicContact CG2-CH2 4.4Å; I481-W513 HydrophobicContact CG2-CZ3 4.35Å; A484-W513 HydrophobicContact CB-CH2 3.74Å; A484-W513 HydrophobicContact CB-CZ2 3.84Å; H500-W513 CarbonylContact C-O 3.59Å; H500-W513 VanDerWaalsContact CA-O 3.26Å; H500-W513 WeakPolarHBondContact CA-O 3.39Å; L501-W513 HydrophobicContact CB-CB 4.17Å; L501-W513 PolarHBondContact N-O 3.08Å; L501-W513 VanDerWaalsContact O-CD1 3.31Å; L501-W513 PolarHBondContact O-N 3.49Å; S503-W513 PolarHBondContact OG-NE1 2.71Å; K511-W513 HydrophobicContact CB-CZ2 3.94Å; K511-W513 HydrophobicContact CD-CH2 4.05Å; K511-W513 HydrophobicContact CD-CZ2 3.52Å; K511-W513 HydrophobicContact CG-CZ2 4.39Å; W513-L527 HydrophobicContact CB-CD2 4.36Å; W513-S528 CarbonylContact C-O 3.57Å; W513-S528 VanDerWaalsContact CA-O 3.25Å; W513-S528 WeakPolarHBondContact CA-O 3.33Å; W513-E529 HydrophobicContact CE3-CB 4.01Å; W513-E529 HydrophobicContact CH2-CB 4.42Å; W513-E529 HydrophobicContact CZ3-CB 3.78Å; W513-E529 HydrophobicContact CZ3-CG 4.43Å |
| 514 | N | 91.3 | Very high | 83.4 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.3 | 166.5 | -159.6 | 21.3 | 0 | 0 | 0 | 108.9 | T499 L527 S528 L530 | T499-N514 PolarHBondContact O-OD1 2.93Å; N514-L527 WeakPolarHBondContact O-CA 3.38Å; N514-S528 WeakPolarHBondContact CB-OG 3.31Å; N514-S528 PolarHBondContact N-O 2.86Å; N514-S528 PolarHBondContact O-N 2.88Å; N514-S528 VanDerWaalsContact O-N 3.14Å; N514-L530 HydrophobicContact CB-CD1 3.64Å; N514-L530 HydrophobicContact CB-CD2 3.97Å; N514-L530 HydrophobicContact CB-CG 3.74Å |
| 515 | V | 89.8 | Confident | 82.4 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.6 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | L450 F494 T499 L501 V526 L527 | L450-V515 HydrophobicContact CD2-CG1 4.19Å; F494-V515 HydrophobicContact CE1-CG1 4.41Å; F494-V515 HydrophobicContact CE1-CG2 4.14Å; T499-V515 PolarHBondContact O-N 3.45Å; L501-V515 HydrophobicContact CB-CG2 3.61Å; V515-V526 CarbonylContact C-O 3.58Å; V515-V526 WeakPolarHBondContact CA-O 3.5Å; V515-L527 HydrophobicContact CB-CD2 4.43Å; V515-L527 HydrophobicContact CG1-CD2 4.46Å; V515-L527 HydrophobicContact CG2-CD2 3.78Å |
| 516 | Q | 85.2 | Confident | 81.8 | Confident | 85 Ų | 85 | 57.6 Ų | 57.6 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | trans | -111.9 | 77.7 | 178.6 | -65.6 | -171.3 | -11.3 | 0 | 0 | 111.1 | N518 N519 V526 | Q516-N518 PolarHBondContact O-N 3.01Å; Q516-N519 PolarHBondContact O-N 2.98Å; Q516-V526 PolarHBondContact N-O 2.87Å | ||
| 517 | C | 76.4 | Confident | 81.5 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.1 | -177.8 | -62.6 | 0 | 0 | 0 | 0 | 114.8 | W438 N519 | W438-C517 HydrophobicContact CD2-CB 4.4Å; W438-C517 HydrophobicContact CH2-CB 3.84Å; W438-C517 HydrophobicContact CZ2-CB 3.48Å; W438-C517 VanDerWaalsContact CZ2-CB 3.48Å; W438-C517 HydrophobicContact CZ3-CB 4.4Å; C517-N519 VanDerWaalsContact C-N 3.34Å; C517-N519 PolarHBondContact O-N 3.44Å |
| 518 | N | 73.1 | Confident | 81.2 | Confident | 168 Ų | 168 | 53.4 Ų | 53.4 | 90% | 0.898 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -15.4 | -175 | -66 | -7.3 | 0 | 0 | 0 | 114 | Q516 | Q516-N518 PolarHBondContact O-N 3.01Š|
| 519 | N | 67.6 | Low | 81.1 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | trans | -105.2 | 67.4 | -170.5 | -169.8 | 6.3 | 0 | 0 | 0 | 111.9 | Q516 C517 D521 T525 V526 | Q516-N519 PolarHBondContact O-N 2.98Å; C517-N519 VanDerWaalsContact C-N 3.34Å; C517-N519 PolarHBondContact O-N 3.44Å; N519-D521 PolarHBondContact O-N 3.28Å; N519-T525 PolarHBondContact ND2-OG1 2.65Å; N519-V526 WeakPolarHBondContact O-CG2 3.36Å | ||
| 520 | L | 69.5 | Low | 80.8 | Confident | 97 Ų | 97 | 59 Ų | 59 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -16.8 | 177.9 | -68.2 | 167.8 | 0 | 0 | 0 | 113.2 | W438 I478 K522 | W438-L520 HydrophobicContact CH2-CD2 4.05Å; I478-L520 HydrophobicContact CD1-CD2 4.45Å; I478-L520 HydrophobicContact CG2-CD2 4.22Å; L520-K522 VanDerWaalsContact C-N 3.29Å; L520-K522 PolarHBondContact O-N 3.39Å |
| 521 | D | 68.9 | Low | 80.6 | Confident | 157 Ų | 157 | 61 Ų | 61 | 84% | 0.84 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.2 | -179.1 | -66.6 | -26.4 | 0 | 0 | 0 | 113.2 | N519 | N519-D521 PolarHBondContact O-N 3.28Š|
| 522 | K | 71 | Confident | 80.4 | Confident | 136 Ų | 136 | 61.6 Ų | 61.6 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | trans | -133.7 | 89.3 | 178.5 | -72.9 | -176.4 | -177.5 | 177.2 | 0 | 110.6 | L520 D524 T525 | L520-K522 VanDerWaalsContact C-N 3.29Å; L520-K522 PolarHBondContact O-N 3.39Å; K522-D524 VanDerWaalsContact C-N 3.33Å; K522-D524 PolarHBondContact O-N 2.83Å; K522-T525 HydrophobicContact CB-CG2 4.33Å; K522-T525 VanDerWaalsContact CB-OG1 3.28Å; K522-T525 WeakPolarHBondContact CB-OG1 3.43Å; K522-T525 PolarHBondContact O-N 2.87Å; K522-T525 VanDerWaalsContact O-N 3.08Å; K522-T525 PolarHBondContact O-OG1 2.9Å | ||
| 523 | P | 66.1 | Low | 80.2 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 31% | 0.312 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -55 | -46.8 | -176.2 | 20.1 | -31.7 | 0 | 0 | 0 | 112 | I478 T479 T525 V526 | I478-P523 HydrophobicContact CG2-CB 4.41Å; I478-P523 WeakPolarHBondContact O-CB 3.33Å; T479-P523 VanDerWaalsContact CG2-C 3.46Å; T479-P523 HydrophobicContact CG2-CB 3.96Å; T479-P523 WeakPolarHBondContact CG2-O 3.47Å; P523-T525 PolarHBondContact O-N 2.96Å; P523-V526 WeakPolarHBondContact O-CB 3.21Å; P523-V526 WeakPolarHBondContact O-CG2 3.41Å; P523-V526 PolarHBondContact O-N 3.4Å |
| 524 | D | 68.3 | Low | 79.9 | Confident | 143 Ų | 143 | 69.2 Ų | 69.2 | 77% | 0.765 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -58.4 | -18.1 | -177.6 | -60.2 | -21 | 0 | 0 | 0 | 114.9 | K522 | K522-D524 VanDerWaalsContact C-N 3.33Å; K522-D524 PolarHBondContact O-N 2.83Å |
| 525 | T | 72.7 | Confident | 79.5 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 36% | 0.356 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -94.3 | -8.4 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | N519 K522 P523 L527 | N519-T525 PolarHBondContact ND2-OG1 2.65Å; K522-T525 HydrophobicContact CB-CG2 4.33Å; K522-T525 VanDerWaalsContact CB-OG1 3.28Å; K522-T525 WeakPolarHBondContact CB-OG1 3.43Å; K522-T525 PolarHBondContact O-N 2.87Å; K522-T525 VanDerWaalsContact O-N 3.08Å; K522-T525 PolarHBondContact O-OG1 2.9Å; P523-T525 PolarHBondContact O-N 2.96Å; T525-L527 VanDerWaalsContact C-N 3.35Å |
| 526 | V | 81.9 | Confident | 79.2 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -36.8 | -178.9 | 177.8 | 0 | 0 | 0 | 0 | 111 | W438 L450 I478 T479 V515 Q516 N519 P523 | W438-V526 HydrophobicContact CZ3-CG1 4.46Å; L450-V526 HydrophobicContact CD2-CG1 3.47Å; L450-V526 VanDerWaalsContact CD2-CG1 3.47Å; I478-V526 HydrophobicContact CG2-CG2 4.33Å; T479-V526 HydrophobicContact CG2-CB 3.76Å; T479-V526 HydrophobicContact CG2-CG1 4.41Å; T479-V526 HydrophobicContact CG2-CG2 4.21Å; V515-V526 CarbonylContact C-O 3.58Å; V515-V526 WeakPolarHBondContact CA-O 3.5Å; Q516-V526 PolarHBondContact N-O 2.87Å; N519-V526 WeakPolarHBondContact O-CG2 3.36Å; P523-V526 WeakPolarHBondContact O-CB 3.21Å; P523-V526 WeakPolarHBondContact O-CG2 3.41Å; P523-V526 PolarHBondContact O-N 3.4Å |
| 527 | L | 85.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124 | 173.1 | -74.9 | -178.6 | 0 | 0 | 0 | 110.5 | I448 L450 T479 I481 L501 W513 N514 V515 T525 | I448-L527 HydrophobicContact CG2-CD1 4.27Å; L450-L527 HydrophobicContact CB-CD1 3.93Å; L450-L527 HydrophobicContact CB-CG 4.39Å; L450-L527 HydrophobicContact CD2-CD1 4.49Å; L450-L527 HydrophobicContact CD2-CD2 4.27Å; L450-L527 HydrophobicContact CD2-CG 4.08Å; T479-L527 WeakPolarHBondContact OG1-CD1 3.48Å; I481-L527 HydrophobicContact CD1-CB 3.57Å; I481-L527 HydrophobicContact CD1-CD1 4.1Å; I481-L527 HydrophobicContact CG1-CB 4.44Å; L501-L527 HydrophobicContact CD2-CD2 4.25Å; W513-L527 HydrophobicContact CB-CD2 4.36Å; N514-L527 WeakPolarHBondContact O-CA 3.38Å; V515-L527 HydrophobicContact CB-CD2 4.43Å; V515-L527 HydrophobicContact CG1-CD2 4.46Å; V515-L527 HydrophobicContact CG2-CD2 3.78Å; T525-L527 VanDerWaalsContact C-N 3.35Å |
| 528 | S | 86.1 | Confident | 79.9 | Confident | 46 Ų | 46 | 71.4 Ų | 71.4 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.7 | 174.3 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | W513 N514 L530 | W513-S528 CarbonylContact C-O 3.57Å; W513-S528 VanDerWaalsContact CA-O 3.25Å; W513-S528 WeakPolarHBondContact CA-O 3.33Å; N514-S528 WeakPolarHBondContact CB-OG 3.31Å; N514-S528 PolarHBondContact N-O 2.86Å; N514-S528 PolarHBondContact O-N 2.88Å; N514-S528 VanDerWaalsContact O-N 3.14Å; S528-L530 PolarHBondContact O-N 2.71Å |
| 529 | E | 86.3 | Confident | 80.6 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 124.1 | 177.3 | -175.1 | 165.5 | -174.9 | 0 | 0 | 110.2 | K511 W513 T532 | K511-E529 VanDerWaalsContact CD-OE1 3.29Å; K511-E529 WeakPolarHBondContact CD-OE1 3.34Å; K511-E529 WeakPolarHBondContact CE-OE1 3.04Å; K511-E529 VanDerWaalsContact NZ-CD 3.26Å; K511-E529 IonicContact NZ-OE1 2.58Å; K511-E529 PolarHBondContact NZ-OE1 3.02Å; K511-E529 IonicContact NZ-OE2 2.86Å; K511-E529 PolarHBondContact NZ-OE2 3.36Å; W513-E529 HydrophobicContact CE3-CB 4.01Å; W513-E529 HydrophobicContact CH2-CB 4.42Å; W513-E529 HydrophobicContact CZ3-CB 3.78Å; W513-E529 HydrophobicContact CZ3-CG 4.43Å; E529-T532 PolarHBondContact OE1-OG1 3.36Å |
| 530 | L | 86.6 | Confident | 81.8 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.288 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -48.6 | 179.2 | -72.4 | 174.8 | 0 | 0 | 0 | 112.2 | V512 N514 S528 | V512-L530 HydrophobicContact CB-CB 4.43Å; V512-L530 HydrophobicContact CG1-CB 4.45Å; V512-L530 HydrophobicContact CG1-CD1 4.19Å; V512-L530 WeakPolarHBondContact O-CB 3.41Å; V512-L530 PolarHBondContact O-N 2.93Å; N514-L530 HydrophobicContact CB-CD1 3.64Å; N514-L530 HydrophobicContact CB-CD2 3.97Å; N514-L530 HydrophobicContact CB-CG 3.74Å; S528-L530 PolarHBondContact O-N 2.71Å |
| 531 | N | 87.7 | Confident | 83 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 145.7 | -173.4 | -173.7 | 39.7 | 0 | 0 | 0 | 111.6 | K511 V512 Q570 | K511-N531 WeakPolarHBondContact CA-O 3.07Å; V512-N531 HydrophobicContact CB-CB 4.44Å; V512-N531 HydrophobicContact CG2-CB 4.47Å; V512-N531 PolarHBondContact N-O 3.49Å; V512-N531 PolarHBondContact O-N 2.99Å; N531-Q570 WeakPolarHBondContact CB-O 3.46Å |
| 532 | T | 89.9 | Confident | 84.3 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.8 | -179.4 | -36.3 | 0 | 0 | 0 | 0 | 108.7 | I509 K511 E529 | I509-T532 HydrophobicContact CG2-CG2 3.73Å; K511-T532 HydrophobicContact CD-CG2 4.49Å; K511-T532 HydrophobicContact CG-CG2 3.9Å; E529-T532 PolarHBondContact OE1-OG1 3.36Å |
| 533 | I | 88.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109.7 | 174.9 | -59.8 | 119.7 | 0 | 0 | 0 | 108.2 | I509 L510 A536 W565 L572 | I509-I533 WeakPolarHBondContact CA-O 3.29Å; L510-I533 HydrophobicContact CB-CB 4.23Å; L510-I533 HydrophobicContact CB-CD1 4.1Å; L510-I533 HydrophobicContact CD2-CD1 4.2Å; L510-I533 PolarHBondContact N-O 2.9Å; L510-I533 PolarHBondContact O-N 3.1Å; I533-A536 HydrophobicContact CG2-CB 4.04Å; I533-W565 HydrophobicContact CG2-CH2 4.2Å; I533-W565 HydrophobicContact CG2-CZ3 4.15Å; I533-L572 HydrophobicContact CD1-CB 3.68Å; I533-L572 HydrophobicContact CD1-CD1 3.9Å; I533-L572 HydrophobicContact CD1-CD2 4.31Å; I533-L572 HydrophobicContact CD1-CG 4.18Å |
| 534 | H | 86.5 | Confident | 86.8 | Confident | 141 Ų | 141 | 44.9 Ų | 44.9 | 65% | 0.653 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 137.4 | 173.9 | -64.4 | -74 | 0 | 0 | 0 | 110.9 | ||
| 535 | G | 81.9 | Confident | 88.1 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 60% | 0.598 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H537 | G535-H537 PolarHBondContact O-N 2.76Š|
| 536 | A | 83.7 | Confident | 89.1 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -59.5 | -37 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G508 L510 I533 I541 K563 W565 | G508-A536 VanDerWaalsContact O-CB 3.29Å; G508-A536 WeakPolarHBondContact O-CB 3.24Å; G508-A536 PolarHBondContact O-N 2.81Å; L510-A536 HydrophobicContact CB-CB 4.33Å; I533-A536 HydrophobicContact CG2-CB 4.04Å; A536-I541 HydrophobicContact CB-CD1 4.26Å; A536-K563 VanDerWaalsContact O-CD 3.3Å; A536-K563 WeakPolarHBondContact O-CD 3.47Å; A536-K563 WeakPolarHBondContact O-CE 3.38Å; A536-K563 PolarHBondContact O-NZ 3.42Å; A536-W565 HydrophobicContact CB-CH2 3.9Å; A536-W565 HydrophobicContact CB-CZ2 3.78Å |
| 537 | H | 89 | Confident | 89.6 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -137.7 | 162.8 | 174.9 | -81.6 | -89.4 | 0 | 0 | 0 | 111.5 | G535 G539 I541 T555 S557 D559 T561 K563 | G535-H537 PolarHBondContact O-N 2.76Å; H537-G539 VanDerWaalsContact C-N 3.3Å; H537-G539 WeakPolarHBondContact CB-O 3.49Å; H537-I541 HydrophobicContact CB-CG1 4.16Å; H537-T555 PolarHBondContact NE2-O 2.57Å; H537-T555 PolarHBondContact NE2-OG1 3.48Å; H537-S557 VanDerWaalsContact ND1-CB 3.26Å; H537-S557 WeakPolarHBondContact ND1-CB 3.48Å; H537-D559 WeakPolarHBondContact CB-OD2 3.25Å; H537-D559 IonicContact CE1-OD1 3.24Å; H537-D559 IonicContact CE1-OD2 3.84Å; H537-D559 IonicContact CG-OD2 2.6Å; H537-D559 IonicContact ND1-OD1 2.78Å; H537-D559 PolarHBondContact ND1-OD1 3.3Å; H537-D559 IonicContact ND1-OD2 2.71Å; H537-D559 PolarHBondContact ND1-OD2 3.42Å; H537-T561 PolarHBondContact CE1-OG1 2.85Å; H537-T561 PolarHBondContact ND1-OG1 3.19Å; H537-K563 WeakPolarHBondContact CE1-CG 3.38Å | ||
| 538 | C | 87.3 | Confident | 89.7 | Confident | 129 Ų | 129 | 39.6 Ų | 39.6 | 87% | 0.872 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -85.1 | -4.7 | 175.6 | -63.5 | 0 | 0 | 0 | 0 | 113 | D559 | C538-D559 HydrophobicContact CB-CB 4.35Å; C538-D559 PolarHBondContact N-OD2 3.03Å |
| 539 | G | 88.7 | Confident | 89.8 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -146.3 | 174 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | H537 I541 S557 | H537-G539 VanDerWaalsContact C-N 3.3Å; H537-G539 WeakPolarHBondContact CB-O 3.49Å; G539-I541 PolarHBondContact O-N 3.37Å; G539-S557 PolarHBondContact O-OG 3.17Å |
| 540 | V | 92.1 | Very high | 89.8 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | trans | -52 | 130.9 | -177.7 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | E506 S557 R558 | E506-V540 HydrophobicContact CB-CG1 4.4Å; E506-V540 HydrophobicContact CB-CG2 4.05Å; E506-V540 HydrophobicContact CG-CG1 4.01Å; E506-V540 HydrophobicContact CG-CG2 4.27Å; E506-V540 WeakPolarHBondContact O-CG2 3.5Å; V540-S557 WeakPolarHBondContact O-CA 3.37Å; V540-S557 PolarHBondContact O-OG 3.47Å; V540-S557 VanDerWaalsContact O-OG 3.13Å; V540-R558 HydrophobicContact CB-CG 4.29Å; V540-R558 PolarHBondContact O-N 3.44Å | ||
| 541 | I | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.7 | 172.8 | -60.2 | 171.1 | 0 | 0 | 0 | 107.2 | S490 L510 A536 H537 G539 I544 A556 | S490-I541 WeakPolarHBondContact CB-O 3.45Å; S490-I541 PolarHBondContact OG-O 2.86Å; L510-I541 HydrophobicContact CD1-CD1 3.68Å; A536-I541 HydrophobicContact CB-CD1 4.26Å; H537-I541 HydrophobicContact CB-CG1 4.16Å; G539-I541 PolarHBondContact O-N 3.37Å; I541-I544 HydrophobicContact CG2-CG1 4.11Å; I541-A556 CarbonylContact C-O 3.6Å; I541-A556 WeakPolarHBondContact CA-O 3.47Å |
| 542 | N | 95 | Very high | 90.1 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -26.5 | -175.7 | -67.6 | -38.4 | 0 | 0 | 0 | 112.9 | A556 R558 V585 W586 | N542-A556 PolarHBondContact N-O 2.63Å; N542-R558 VanDerWaalsContact ND2-CG 3.28Å; N542-R558 WeakPolarHBondContact ND2-CG 3.5Å; N542-R558 PolarHBondContact OD1-NE 3.37Å; N542-V585 PolarHBondContact ND2-O 2.99Å; N542-W586 HydrophobicContact CB-CE3 4.14Å; N542-W586 WeakPolarHBondContact CB-O 3.33Å |
| 543 | S | 94.9 | Very high | 90.3 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 144.8 | -175 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | A556 W586 | S543-A556 PolarHBondContact O-N 2.94Å; S543-W586 WeakPolarHBondContact CB-O 3.35Å |
| 544 | I | 95.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.046 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.2 | 174.9 | -60.6 | 160.9 | 0 | 0 | 0 | 108.4 | S491 C493 I502 L510 I541 V553 A554 T555 | S491-I544 WeakPolarHBondContact OG-CD1 3.49Å; S491-I544 WeakPolarHBondContact OG-CG1 3.37Å; C493-I544 HydrophobicContact CB-CB 4.08Å; C493-I544 HydrophobicContact CB-CG2 3.88Å; I502-I544 HydrophobicContact CG2-CD1 4.14Å; I502-I544 HydrophobicContact CG2-CG2 4.28Å; L510-I544 HydrophobicContact CD1-CD1 4.09Å; I541-I544 HydrophobicContact CG2-CG1 4.11Å; I544-V553 HydrophobicContact CG2-CG1 3.75Å; I544-A554 WeakPolarHBondContact CA-O 3.27Å; I544-T555 HydrophobicContact CG1-CG2 4.23Å |
| 545 | D | 95.1 | Very high | 91 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 158.8 | 164.4 | -169.9 | 22.8 | 0 | 0 | 0 | 110.3 | R496 V553 A554 V588 C589 F590 | R496-D545 IonicContact CZ-OD1 3.19Å; R496-D545 IonicContact NH1-OD1 2.75Å; R496-D545 PolarHBondContact NH1-OD1 3.46Å; R496-D545 IonicContact NH2-OD1 3.47Å; R496-D545 PolarHBondContact NH2-OD1 2.97Å; R496-D545 IonicContact NH2-OD2 3.67Å; D545-V553 WeakPolarHBondContact O-CA 3.28Å; D545-A554 PolarHBondContact N-O 3.05Å; D545-A554 VanDerWaalsContact N-O 3.11Å; D545-A554 PolarHBondContact O-N 3.15Å; D545-V588 HydrophobicContact CB-CG1 4.47Å; D545-C589 WeakPolarHBondContact OD2-CA 3.42Å; D545-F590 HydrophobicContact CB-CD2 4.07Å; D545-F590 WeakPolarHBondContact O-CE2 3.12Å; D545-F590 PolarHBondContact OD2-N 3Å |
| 546 | V | 94 | Very high | 91.7 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | -179.3 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | D495 R496 I502 V553 | D495-V546 VanDerWaalsContact OD1-CG1 3.3Å; D495-V546 WeakPolarHBondContact OD1-CG1 3.4Å; R496-V546 PolarHBondContact NH1-O 3.08Å; R496-V546 PolarHBondContact NH2-O 3.2Å; I502-V546 HydrophobicContact CD1-CG2 3.89Å; V546-V553 HydrophobicContact CG1-CG2 4.46Å; V546-V553 HydrophobicContact CG2-CG1 4.48Å; V546-V553 HydrophobicContact CG2-CG2 4.3Å |
| 547 | S | 92.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -64 | 156 | 177.7 | 64.9 | 0 | 0 | 0 | 0 | 112.4 | D549 N550 R551 L552 | S547-D549 PolarHBondContact O-N 3.33Å; S547-N550 PolarHBondContact O-N 3.33Å; S547-N550 PolarHBondContact O-OD1 2.88Å; S547-R551 PolarHBondContact OG-N 3.06Å; S547-L552 PolarHBondContact N-O 3.33Å; S547-L552 PolarHBondContact OG-N 2.84Å; S547-L552 PolarHBondContact OG-O 3.48Å; S547-L552 VanDerWaalsContact OG-O 3.08Å | ||
| 548 | V | 88.4 | Confident | 92.5 | Very high | 70 Ų | 70 | 37.2 Ų | 37.2 | 42% | 0.424 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.2 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 113.5 | N550 R592 | V548-N550 PolarHBondContact O-N 3.29Å; V548-N550 PolarHBondContact O-OD1 3.18Å; V548-R592 HydrophobicContact CG2-CB 4.06Å; V548-R592 HydrophobicContact CG2-CG 3.99Å |
| 549 | D | 86.9 | Confident | 92.9 | Very high | 113 Ų | 113 | 33 Ų | 33 | 60% | 0.604 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.8 | 177.9 | -69.1 | -19.2 | 0 | 0 | 0 | 113.2 | S547 R551 | S547-D549 PolarHBondContact O-N 3.33Å; D549-R551 HydrophobicContact CB-CB 4.42Å; D549-R551 HydrophobicContact CB-CG 4.27Å; D549-R551 PolarHBondContact O-N 3.42Å |
| 550 | N | 86 | Confident | 93.2 | Very high | 23 Ų | 23 | 37 Ų | 37 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 56.7 | 20 | -175.1 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | D495 R496 L497 S547 V548 | D495-N550 WeakPolarHBondContact OD1-CB 3.36Å; D495-N550 PolarHBondContact OD1-ND2 3.09Å; D495-N550 VanDerWaalsContact OD1-ND2 3.07Å; D495-N550 PolarHBondContact OD1-OD1 3.42Å; D495-N550 WeakPolarHBondContact OD2-CB 3.44Å; D495-N550 VanDerWaalsContact OD2-CG 3.24Å; D495-N550 PolarHBondContact OD2-ND2 2.89Å; R496-N550 WeakPolarHBondContact CB-OD1 3.27Å; R496-N550 WeakPolarHBondContact CG-OD1 3.19Å; R496-N550 PolarHBondContact N-OD1 2.87Å; L497-N550 WeakPolarHBondContact CD1-ND2 3.45Å; L497-N550 WeakPolarHBondContact CG-ND2 3.3Å; L497-N550 PolarHBondContact N-ND2 2.8Å; S547-N550 PolarHBondContact O-N 3.33Å; S547-N550 PolarHBondContact O-OD1 2.88Å; V548-N550 PolarHBondContact O-N 3.29Å; V548-N550 PolarHBondContact O-OD1 3.18Å |
| 551 | R | 89 | Confident | 93.3 | Very high | 166 Ų | 166 | 36.8 Ų | 36.8 | 63% | 0.626 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -98.2 | -30.2 | -179.3 | -72.2 | 178.9 | -174.9 | -171.7 | 2.3 | 112.8 | S547 D549 E566 F567 | S547-R551 PolarHBondContact OG-N 3.06Å; D549-R551 HydrophobicContact CB-CB 4.42Å; D549-R551 HydrophobicContact CB-CG 4.27Å; D549-R551 PolarHBondContact O-N 3.42Å; R551-E566 CarbonylContact O-C 3.43Å; R551-E566 WeakPolarHBondContact O-CA 3.47Å; R551-F567 PolarHBondContact O-N 3.14Å |
| 552 | L | 92.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141 | -175.4 | -54.7 | 177.2 | 0 | 0 | 0 | 110.7 | S547 I564 W565 E566 F590 L611 | S547-L552 PolarHBondContact N-O 3.33Å; S547-L552 PolarHBondContact OG-N 2.84Å; S547-L552 PolarHBondContact OG-O 3.48Å; S547-L552 VanDerWaalsContact OG-O 3.08Å; L552-I564 HydrophobicContact CB-CG2 4.36Å; L552-I564 HydrophobicContact CD2-CG2 4.28Å; L552-W565 CarbonylContact C-O 3.54Å; L552-W565 VanDerWaalsContact CA-O 3.25Å; L552-W565 WeakPolarHBondContact CA-O 3.25Å; L552-E566 HydrophobicContact CD2-CB 4.31Å; L552-E566 HydrophobicContact CD2-CG 4.32Å; L552-F590 HydrophobicContact CB-CE1 4.19Å; L552-F590 HydrophobicContact CB-CZ 3.9Å; L552-L611 HydrophobicContact CD1-CD1 4.15Å |
| 553 | V | 93.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.3 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | I502 I544 D545 V546 I564 W565 L572 | I502-V553 HydrophobicContact CD1-CB 4.21Å; I502-V553 HydrophobicContact CD1-CG1 3.69Å; I502-V553 HydrophobicContact CD1-CG2 3.45Å; I502-V553 VanDerWaalsContact CD1-CG2 3.45Å; I544-V553 HydrophobicContact CG2-CG1 3.75Å; D545-V553 WeakPolarHBondContact O-CA 3.28Å; V546-V553 HydrophobicContact CG1-CG2 4.46Å; V546-V553 HydrophobicContact CG2-CG1 4.48Å; V546-V553 HydrophobicContact CG2-CG2 4.3Å; V553-I564 CarbonylContact O-C 3.54Å; V553-I564 WeakPolarHBondContact O-CA 3.05Å; V553-W565 HydrophobicContact CB-CB 4.26Å; V553-W565 PolarHBondContact N-O 3.07Å; V553-W565 PolarHBondContact O-N 2.93Å; V553-L572 HydrophobicContact CB-CD2 4.07Å; V553-L572 HydrophobicContact CG1-CD2 4.28Å; V553-L572 HydrophobicContact CG2-CD2 4.1Å |
| 554 | A | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | I544 D545 V562 K563 I564 V588 F590 | I544-A554 WeakPolarHBondContact CA-O 3.27Å; D545-A554 PolarHBondContact N-O 3.05Å; D545-A554 VanDerWaalsContact N-O 3.11Å; D545-A554 PolarHBondContact O-N 3.15Å; A554-V562 HydrophobicContact CB-CG1 4.37Å; A554-K563 CarbonylContact C-O 3.58Å; A554-K563 WeakPolarHBondContact CA-O 3.36Å; A554-I564 HydrophobicContact CB-CG1 4.41Å; A554-V588 HydrophobicContact CB-CG1 4.36Å; A554-V588 HydrophobicContact CB-CG2 3.63Å; A554-F590 HydrophobicContact CB-CD2 4.3Å; A554-F590 HydrophobicContact CB-CE1 4.47Å; A554-F590 HydrophobicContact CB-CE2 3.4Å; A554-F590 VanDerWaalsContact CB-CE2 3.4Å; A554-F590 HydrophobicContact CB-CZ 3.51Å |
| 555 | T | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119 | -179.2 | 57.7 | 0 | 0 | 0 | 0 | 109.3 | L510 H537 I544 V562 K563 W565 | L510-T555 HydrophobicContact CD1-CG2 3.73Å; L510-T555 HydrophobicContact CD2-CG2 4.47Å; H537-T555 PolarHBondContact NE2-O 2.57Å; H537-T555 PolarHBondContact NE2-OG1 3.48Å; I544-T555 HydrophobicContact CG1-CG2 4.23Å; T555-V562 CarbonylContact O-C 3.59Å; T555-V562 VanDerWaalsContact O-CA 3.28Å; T555-V562 WeakPolarHBondContact O-CA 3.42Å; T555-V562 WeakPolarHBondContact O-CG1 3.05Å; T555-K563 PolarHBondContact N-O 3.38Å; T555-K563 PolarHBondContact O-N 3.12Å; T555-K563 PolarHBondContact OG1-O 3.26Å; T555-W565 PolarHBondContact OG1-NE1 2.97Å |
| 556 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I541 N542 S543 V562 V585 V588 | I541-A556 CarbonylContact C-O 3.6Å; I541-A556 WeakPolarHBondContact CA-O 3.47Å; N542-A556 PolarHBondContact N-O 2.63Å; S543-A556 PolarHBondContact O-N 2.94Å; A556-V562 HydrophobicContact CB-CG2 4.23Å; A556-V585 HydrophobicContact CB-CB 3.96Å; A556-V585 HydrophobicContact CB-CG1 3.66Å; A556-V588 HydrophobicContact CB-CB 3.95Å; A556-V588 HydrophobicContact CB-CG1 3.97Å |
| 557 | S | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.5 | -177 | 177.7 | 0 | 0 | 0 | 0 | 113.4 | H537 G539 V540 D559 K560 T561 V585 | H537-S557 VanDerWaalsContact ND1-CB 3.26Å; H537-S557 WeakPolarHBondContact ND1-CB 3.48Å; G539-S557 PolarHBondContact O-OG 3.17Å; V540-S557 WeakPolarHBondContact O-CA 3.37Å; V540-S557 PolarHBondContact O-OG 3.47Å; V540-S557 VanDerWaalsContact O-OG 3.13Å; S557-D559 WeakPolarHBondContact CB-OD1 3.19Å; S557-D559 PolarHBondContact O-N 2.91Å; S557-D559 PolarHBondContact OG-N 3.1Å; S557-D559 VanDerWaalsContact OG-N 3.15Å; S557-D559 PolarHBondContact OG-OD1 2.86Å; S557-K560 PolarHBondContact O-N 3.31Å; S557-T561 PolarHBondContact N-O 2.98Å; S557-V585 PolarHBondContact O-N 3.2Å |
| 558 | R | 94.8 | Very high | 91.9 | Very high | 123 Ų | 123 | 45.2 Ų | 45.2 | 46% | 0.464 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.7 | 168.2 | -64.4 | -170.4 | -174.3 | -176.2 | -0.7 | 113.4 | V540 N542 K560 | V540-R558 HydrophobicContact CB-CG 4.29Å; V540-R558 PolarHBondContact O-N 3.44Å; N542-R558 VanDerWaalsContact ND2-CG 3.28Å; N542-R558 WeakPolarHBondContact ND2-CG 3.5Å; N542-R558 PolarHBondContact OD1-NE 3.37Å; R558-K560 PolarHBondContact O-N 3.15Å; R558-K560 VanDerWaalsContact O-N 3.12Å |
| 559 | D | 94.3 | Very high | 91 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 5.7 | 173 | 74.6 | 8.9 | 0 | 0 | 0 | 114.5 | H537 C538 S557 T561 | H537-D559 WeakPolarHBondContact CB-OD2 3.25Å; H537-D559 IonicContact CE1-OD1 3.24Å; H537-D559 IonicContact CE1-OD2 3.84Å; H537-D559 IonicContact CG-OD2 2.6Å; H537-D559 IonicContact ND1-OD1 2.78Å; H537-D559 PolarHBondContact ND1-OD1 3.3Å; H537-D559 IonicContact ND1-OD2 2.71Å; H537-D559 PolarHBondContact ND1-OD2 3.42Å; C538-D559 HydrophobicContact CB-CB 4.35Å; C538-D559 PolarHBondContact N-OD2 3.03Å; S557-D559 WeakPolarHBondContact CB-OD1 3.19Å; S557-D559 PolarHBondContact O-N 2.91Å; S557-D559 PolarHBondContact OG-N 3.1Å; S557-D559 VanDerWaalsContact OG-N 3.15Å; S557-D559 PolarHBondContact OG-OD1 2.86Å; D559-T561 VanDerWaalsContact CG-OG1 3.3Å; D559-T561 PolarHBondContact O-N 3.44Å; D559-T561 WeakPolarHBondContact OD1-CB 3.2Å; D559-T561 PolarHBondContact OD1-N 3.28Å; D559-T561 PolarHBondContact OD1-OG1 2.8Å; D559-T561 PolarHBondContact OD2-OG1 3.2Å |
| 560 | K | 94.8 | Very high | 90.2 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 73.8 | 9.8 | 178 | -41.6 | 173.5 | -177.6 | -171.2 | 0 | 114.1 | S557 R558 R582 | S557-K560 PolarHBondContact O-N 3.31Å; R558-K560 PolarHBondContact O-N 3.15Å; R558-K560 VanDerWaalsContact O-N 3.12Å; K560-R582 WeakPolarHBondContact CD-O 3.4Å; K560-R582 WeakPolarHBondContact CE-O 3.24Å; K560-R582 PolarHBondContact NZ-O 2.92Å |
| 561 | T | 94.6 | Very high | 90 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.129 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 153.4 | 178.3 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | H537 S557 D559 V577 | H537-T561 PolarHBondContact CE1-OG1 2.85Å; H537-T561 PolarHBondContact ND1-OG1 3.19Å; S557-T561 PolarHBondContact N-O 2.98Å; D559-T561 VanDerWaalsContact CG-OG1 3.3Å; D559-T561 PolarHBondContact O-N 3.44Å; D559-T561 WeakPolarHBondContact OD1-CB 3.2Å; D559-T561 PolarHBondContact OD1-N 3.28Å; D559-T561 PolarHBondContact OD1-OG1 2.8Å; D559-T561 PolarHBondContact OD2-OG1 3.2Å; T561-V577 HydrophobicContact CG2-CG1 4.06Å |
| 562 | V | 95.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.1 | 165.3 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | A554 T555 A556 L578 V585 V588 T599 | A554-V562 HydrophobicContact CB-CG1 4.37Å; T555-V562 CarbonylContact O-C 3.59Å; T555-V562 VanDerWaalsContact O-CA 3.28Å; T555-V562 WeakPolarHBondContact O-CA 3.42Å; T555-V562 WeakPolarHBondContact O-CG1 3.05Å; A556-V562 HydrophobicContact CB-CG2 4.23Å; V562-L578 HydrophobicContact CB-CB 4.09Å; V562-L578 HydrophobicContact CB-CD1 4.06Å; V562-L578 HydrophobicContact CB-CG 4.47Å; V562-L578 HydrophobicContact CG1-CD1 4.1Å; V562-L578 PolarHBondContact N-O 2.89Å; V562-L578 VanDerWaalsContact N-O 3.09Å; V562-L578 WeakPolarHBondContact O-CB 3.13Å; V562-L578 PolarHBondContact O-N 3.22Å; V562-V585 HydrophobicContact CG2-CB 4.04Å; V562-V585 HydrophobicContact CG2-CG1 3.72Å; V562-V585 HydrophobicContact CG2-CG2 3.9Å; V562-V588 HydrophobicContact CG1-CG2 3.93Å; V562-T599 HydrophobicContact CB-CG2 4.38Å; V562-T599 HydrophobicContact CG1-CG2 4.46Å; V562-T599 HydrophobicContact CG2-CG2 3.68Å |
| 563 | K | 95 | Very high | 89.4 | Confident | 41 Ų | 41 | 50 Ų | 50 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 139.4 | 176.9 | -70.4 | -178.8 | -176.2 | -178.7 | 0 | 109.9 | A536 H537 A554 T555 W565 V577 | A536-K563 VanDerWaalsContact O-CD 3.3Å; A536-K563 WeakPolarHBondContact O-CD 3.47Å; A536-K563 WeakPolarHBondContact O-CE 3.38Å; A536-K563 PolarHBondContact O-NZ 3.42Å; H537-K563 WeakPolarHBondContact CE1-CG 3.38Å; A554-K563 CarbonylContact C-O 3.58Å; A554-K563 WeakPolarHBondContact CA-O 3.36Å; T555-K563 PolarHBondContact N-O 3.38Å; T555-K563 PolarHBondContact O-N 3.12Å; T555-K563 PolarHBondContact OG1-O 3.26Å; K563-W565 HydrophobicContact CB-CZ2 4.02Å; K563-W565 HydrophobicContact CD-CH2 4.4Å; K563-W565 HydrophobicContact CD-CZ2 3.82Å; K563-V577 HydrophobicContact CG-CG1 4.14Å; K563-V577 HydrophobicContact CG-CG2 4.07Å |
| 564 | I | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.5 | 174.6 | -65.4 | 159.9 | 0 | 0 | 0 | 107.5 | L552 V553 A554 Q575 G576 L578 L611 F614 | L552-I564 HydrophobicContact CB-CG2 4.36Å; L552-I564 HydrophobicContact CD2-CG2 4.28Å; V553-I564 CarbonylContact O-C 3.54Å; V553-I564 WeakPolarHBondContact O-CA 3.05Å; A554-I564 HydrophobicContact CB-CG1 4.41Å; I564-Q575 PolarHBondContact O-N 2.71Å; I564-G576 PolarHBondContact N-O 3.1Å; I564-G576 PolarHBondContact O-N 3.12Å; I564-L578 HydrophobicContact CD1-CD1 3.83Å; I564-L578 HydrophobicContact CD1-CD2 4.16Å; I564-L578 HydrophobicContact CD1-CG 3.91Å; I564-L578 HydrophobicContact CG1-CD1 4.49Å; I564-L611 HydrophobicContact CD1-CD2 3.39Å; I564-L611 HydrophobicContact CG1-CD2 4.34Å; I564-F614 HydrophobicContact CB-CE1 4.21Å; I564-F614 HydrophobicContact CD1-CD1 3.75Å; I564-F614 HydrophobicContact CD1-CE1 3.55Å; I564-F614 HydrophobicContact CG1-CE1 4.47Å |
| 565 | W | 93.2 | Very high | 88.8 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.5 | -175.7 | -52 | 84.4 | 0 | 0 | 0 | 109.3 | I533 A536 L552 V553 T555 K563 L572 H573 C574 | I533-W565 HydrophobicContact CG2-CH2 4.2Å; I533-W565 HydrophobicContact CG2-CZ3 4.15Å; A536-W565 HydrophobicContact CB-CH2 3.9Å; A536-W565 HydrophobicContact CB-CZ2 3.78Å; L552-W565 CarbonylContact C-O 3.54Å; L552-W565 VanDerWaalsContact CA-O 3.25Å; L552-W565 WeakPolarHBondContact CA-O 3.25Å; V553-W565 HydrophobicContact CB-CB 4.26Å; V553-W565 PolarHBondContact N-O 3.07Å; V553-W565 PolarHBondContact O-N 2.93Å; T555-W565 PolarHBondContact OG1-NE1 2.97Å; K563-W565 HydrophobicContact CB-CZ2 4.02Å; K563-W565 HydrophobicContact CD-CH2 4.4Å; K563-W565 HydrophobicContact CD-CZ2 3.82Å; W565-L572 HydrophobicContact CB-CB 4.08Å; W565-L572 HydrophobicContact CB-CD2 3.71Å; W565-L572 HydrophobicContact CB-CG 4.21Å; W565-L572 HydrophobicContact CE3-CB 4.13Å; W565-L572 HydrophobicContact CG-CD2 4Å; W565-H573 CarbonylContact C-O 3.6Å; W565-H573 VanDerWaalsContact CA-O 3.27Å; W565-H573 WeakPolarHBondContact CA-O 3.14Å; W565-C574 HydrophobicContact CD2-CB 4.48Å; W565-C574 HydrophobicContact CE3-CB 3.82Å; W565-C574 HydrophobicContact CH2-CB 4.2Å; W565-C574 HydrophobicContact CZ3-CB 3.67Å |
| 566 | E | 90.7 | Very high | 88.5 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.5 | 171.8 | -166.7 | -177.9 | -177.3 | 0 | 0 | 109.6 | R551 L552 K568 L572 H573 Q575 | R551-E566 CarbonylContact O-C 3.43Å; R551-E566 WeakPolarHBondContact O-CA 3.47Å; L552-E566 HydrophobicContact CD2-CB 4.31Å; L552-E566 HydrophobicContact CD2-CG 4.32Å; E566-K568 HydrophobicContact CG-CD 4.29Å; E566-K568 HydrophobicContact CG-CG 4.19Å; E566-K568 PolarHBondContact O-N 3.07Å; E566-K568 WeakPolarHBondContact OE1-CE 3.46Å; E566-K568 IonicContact OE1-NZ 3.01Å; E566-K568 PolarHBondContact OE1-NZ 3.42Å; E566-K568 VanDerWaalsContact OE2-CE 3.3Å; E566-K568 WeakPolarHBondContact OE2-CE 3.16Å; E566-K568 IonicContact OE2-NZ 2.68Å; E566-K568 PolarHBondContact OE2-NZ 3.22Å; E566-L572 WeakPolarHBondContact O-CA 3.02Å; E566-H573 PolarHBondContact N-O 3.19Å; E566-H573 PolarHBondContact O-N 2.91Å; E566-Q575 HydrophobicContact CB-CB 4.42Å |
| 567 | F | 83.6 | Confident | 88.4 | Confident | 42 Ų | 42 | 59.9 Ų | 59.9 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 97.9 | 176 | -162.1 | -101.6 | 0 | 0 | 0 | 109.5 | H500 V512 R551 L572 | H500-F567 AromaticContact CD2-CE1 3.63Å; H500-F567 AromaticContact CD2-CZ 3.55Å; H500-F567 AromaticContact NE2-CE1 3.74Å; H500-F567 AromaticContact NE2-CZ 3.81Å; V512-F567 HydrophobicContact CG1-CE2 3.92Å; V512-F567 HydrophobicContact CG1-CZ 4.27Å; V512-F567 HydrophobicContact CG2-CE2 4.36Å; R551-F567 PolarHBondContact O-N 3.14Å; F567-L572 HydrophobicContact CD2-CD1 3.83Å; F567-L572 HydrophobicContact CD2-CG 4.17Å; F567-L572 HydrophobicContact CE2-CD1 3.99Å |
| 568 | K | 79.9 | Confident | 88.3 | Confident | 109 Ų | 109 | 60 Ų | 60 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.5 | 179.3 | -88.9 | 173.4 | 166.8 | 152.1 | 0 | 109.9 | E566 Q570 S571 | E566-K568 HydrophobicContact CG-CD 4.29Å; E566-K568 HydrophobicContact CG-CG 4.19Å; E566-K568 PolarHBondContact O-N 3.07Å; E566-K568 WeakPolarHBondContact OE1-CE 3.46Å; E566-K568 IonicContact OE1-NZ 3.01Å; E566-K568 PolarHBondContact OE1-NZ 3.42Å; E566-K568 VanDerWaalsContact OE2-CE 3.3Å; E566-K568 WeakPolarHBondContact OE2-CE 3.16Å; E566-K568 IonicContact OE2-NZ 2.68Å; E566-K568 PolarHBondContact OE2-NZ 3.22Å; K568-Q570 VanDerWaalsContact C-N 3.34Å; K568-Q570 PolarHBondContact O-N 3.43Å; K568-S571 PolarHBondContact N-O 2.98Å; K568-S571 PolarHBondContact O-N 3.46Å; K568-S571 PolarHBondContact O-OG 3.17Å |
| 569 | K | 70.6 | Confident | 88.1 | Confident | 206 Ų | 206 | 61.6 Ų | 61.6 | 90% | 0.896 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 50.6 | 175.4 | -61.1 | -177.4 | 177.2 | -178.9 | 0 | 113 | S571 | K569-S571 PolarHBondContact O-N 3.07Å; K569-S571 VanDerWaalsContact O-N 3.11Å |
| 570 | Q | 69.8 | Low | 87.9 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 6.1 | 180 | -54.8 | 171.4 | -21.2 | 0 | 0 | 115.6 | N531 K568 | N531-Q570 WeakPolarHBondContact CB-O 3.46Å; K568-Q570 VanDerWaalsContact C-N 3.34Å; K568-Q570 PolarHBondContact O-N 3.43Å |
| 571 | S | 80.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 149.2 | 171.6 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | K568 K569 | K568-S571 PolarHBondContact N-O 2.98Å; K568-S571 PolarHBondContact O-N 3.46Å; K568-S571 PolarHBondContact O-OG 3.17Å; K569-S571 PolarHBondContact O-N 3.07Å; K569-S571 VanDerWaalsContact O-N 3.11Å |
| 572 | L | 83.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.9 | 172.6 | -76.1 | 80.4 | 0 | 0 | 0 | 109.3 | L510 V512 I533 V553 W565 E566 F567 | L510-L572 HydrophobicContact CD2-CD2 3.61Å; V512-L572 HydrophobicContact CG2-CD1 3.1Å; I533-L572 HydrophobicContact CD1-CB 3.68Å; I533-L572 HydrophobicContact CD1-CD1 3.9Å; I533-L572 HydrophobicContact CD1-CD2 4.31Å; I533-L572 HydrophobicContact CD1-CG 4.18Å; V553-L572 HydrophobicContact CB-CD2 4.07Å; V553-L572 HydrophobicContact CG1-CD2 4.28Å; V553-L572 HydrophobicContact CG2-CD2 4.1Å; W565-L572 HydrophobicContact CB-CB 4.08Å; W565-L572 HydrophobicContact CB-CD2 3.71Å; W565-L572 HydrophobicContact CB-CG 4.21Å; W565-L572 HydrophobicContact CE3-CB 4.13Å; W565-L572 HydrophobicContact CG-CD2 4Å; E566-L572 WeakPolarHBondContact O-CA 3.02Å; F567-L572 HydrophobicContact CD2-CD1 3.83Å; F567-L572 HydrophobicContact CD2-CG 4.17Å; F567-L572 HydrophobicContact CE2-CD1 3.99Å |
| 573 | H | 86.4 | Confident | 87.7 | Confident | 121 Ų | 121 | 72.2 Ų | 72.2 | 56% | 0.56 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.2 | 172.2 | -171 | 68.6 | 0 | 0 | 0 | 110 | W565 E566 Q575 | W565-H573 CarbonylContact C-O 3.6Å; W565-H573 VanDerWaalsContact CA-O 3.27Å; W565-H573 WeakPolarHBondContact CA-O 3.14Å; E566-H573 PolarHBondContact N-O 3.19Å; E566-H573 PolarHBondContact O-N 2.91Å; H573-Q575 PolarHBondContact O-N 3.2Å; H573-Q575 VanDerWaalsContact O-N 3.11Å |
| 574 | C | 87.3 | Confident | 87.7 | Confident | 45 Ų | 45 | 71 Ų | 71 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 112.6 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | W565 | W565-C574 HydrophobicContact CD2-CB 4.48Å; W565-C574 HydrophobicContact CE3-CB 3.82Å; W565-C574 HydrophobicContact CH2-CB 4.2Å; W565-C574 HydrophobicContact CZ3-CB 3.67Å |
| 575 | Q | 88.6 | Confident | 87.8 | Confident | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -36.2 | -179.8 | -170.2 | -174.6 | -10.6 | 0 | 0 | 111.9 | I564 E566 H573 F614 | I564-Q575 PolarHBondContact O-N 2.71Å; E566-Q575 HydrophobicContact CB-CB 4.42Å; H573-Q575 PolarHBondContact O-N 3.2Å; H573-Q575 VanDerWaalsContact O-N 3.11Å; Q575-F614 HydrophobicContact CG-CZ 4.13Å |
| 576 | G | 89.8 | Confident | 87.9 | Confident | 12 Ų | 12 | 73.3 Ų | 73.3 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 164.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I564 | I564-G576 PolarHBondContact N-O 3.1Å; I564-G576 PolarHBondContact O-N 3.12Å |
| 577 | V | 93.4 | Very high | 88.1 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.5 | -179.6 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | T561 K563 Q579 | T561-V577 HydrophobicContact CG2-CG1 4.06Å; K563-V577 HydrophobicContact CG-CG1 4.14Å; K563-V577 HydrophobicContact CG-CG2 4.07Å; V577-Q579 PolarHBondContact O-N 3.43Å |
| 578 | L | 93.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 111.3 | 171.1 | -55.6 | 174.1 | 0 | 0 | 0 | 108.2 | V562 I564 V597 W609 F614 | V562-L578 HydrophobicContact CB-CB 4.09Å; V562-L578 HydrophobicContact CB-CD1 4.06Å; V562-L578 HydrophobicContact CB-CG 4.47Å; V562-L578 HydrophobicContact CG1-CD1 4.1Å; V562-L578 PolarHBondContact N-O 2.89Å; V562-L578 VanDerWaalsContact N-O 3.09Å; V562-L578 WeakPolarHBondContact O-CB 3.13Å; V562-L578 PolarHBondContact O-N 3.22Å; I564-L578 HydrophobicContact CD1-CD1 3.83Å; I564-L578 HydrophobicContact CD1-CD2 4.16Å; I564-L578 HydrophobicContact CD1-CG 3.91Å; I564-L578 HydrophobicContact CG1-CD1 4.49Å; L578-V597 HydrophobicContact CD1-CB 4.38Å; L578-V597 HydrophobicContact CD1-CG1 4.25Å; L578-W609 HydrophobicContact CB-CD2 4.02Å; L578-W609 HydrophobicContact CB-CE3 4.02Å; L578-W609 HydrophobicContact CB-CZ3 4.27Å; L578-W609 HydrophobicContact CD1-CB 3.79Å; L578-W609 HydrophobicContact CD1-CD2 4.07Å; L578-W609 HydrophobicContact CD1-CG 3.66Å; L578-W609 HydrophobicContact CD2-CB 3.85Å; L578-W609 HydrophobicContact CD2-CD2 3.95Å; L578-W609 HydrophobicContact CD2-CE3 3.72Å; L578-W609 HydrophobicContact CD2-CG 4.03Å; L578-W609 HydrophobicContact CG-CB 4.44Å; L578-W609 HydrophobicContact CG-CD2 4.24Å; L578-W609 HydrophobicContact CG-CE3 4.34Å; L578-W609 HydrophobicContact CG-CG 4.29Å; L578-F614 HydrophobicContact CD2-CB 3.82Å; L578-F614 HydrophobicContact CD2-CD1 3.79Å; L578-F614 HydrophobicContact CD2-CG 4.31Å |
| 579 | Q | 90.9 | Very high | 89.5 | Confident | 157 Ų | 157 | 65.4 Ų | 65.4 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133.7 | -179.3 | -170.7 | 176.3 | 2.1 | 0 | 0 | 110.3 | V577 W609 | V577-Q579 PolarHBondContact O-N 3.43Å; Q579-W609 WeakPolarHBondContact O-CH2 3.33Å |
| 580 | G | 88.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | trans | 163.8 | -20.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R607 | G580-R607 PolarHBondContact O-NH1 3.32Š| ||
| 581 | H | 93.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | trans | -64.9 | 143.6 | 179.1 | -79.3 | -70.9 | 0 | 0 | 0 | 111.9 | V585 T599 S601 D603 | H581-V585 HydrophobicContact CB-CG2 4.06Å; H581-T599 PolarHBondContact NE2-OG1 3.37Å; H581-S601 WeakPolarHBondContact ND1-CB 3.38Å; H581-S601 PolarHBondContact ND1-OG 2.95Å; H581-D603 IonicContact CG-OD2 3.92Å; H581-D603 IonicContact ND1-OD1 3.88Å; H581-D603 PolarHBondContact ND1-OD1 3.43Å; H581-D603 IonicContact ND1-OD2 4Å; H581-D603 PolarHBondContact ND1-OD2 2.92Å | ||
| 582 | R | 93.6 | Very high | 91.9 | Very high | 189 Ų | 189 | 57.3 Ų | 57.3 | 71% | 0.713 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -83.4 | -28.3 | -177.9 | -59 | -175.9 | -173.3 | -154.6 | 5.3 | 111.5 | K560 D603 | K560-R582 WeakPolarHBondContact CD-O 3.4Å; K560-R582 WeakPolarHBondContact CE-O 3.24Å; K560-R582 PolarHBondContact NZ-O 2.92Å; R582-D603 HydrophobicContact CB-CB 4.03Å; R582-D603 PolarHBondContact N-OD2 3.46Å |
| 583 | R | 95.2 | Very high | 91.9 | Very high | 152 Ų | 152 | 62.9 Ų | 62.9 | 57% | 0.574 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -125.4 | 178.6 | 179.1 | -70.6 | -179.8 | 170 | -163.6 | 1.8 | 110.6 | S601 G602 D603 | R583-S601 PolarHBondContact O-OG 3.47Å; R583-G602 WeakPolarHBondContact CD-O 3.46Å; R583-G602 PolarHBondContact NH1-O 3.35Å; R583-D603 HydrophobicContact CB-CB 4.12Å; R583-D603 HydrophobicContact CG-CB 4.31Å |
| 584 | G | 94.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | -63.6 | 142.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S601 G602 | G584-S601 PolarHBondContact O-OG 2.88Å; G584-G602 PolarHBondContact O-N 3.06Å | ||
| 585 | V | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.5 | 178.8 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | N542 A556 S557 V562 H581 A600 | N542-V585 PolarHBondContact ND2-O 2.99Å; A556-V585 HydrophobicContact CB-CB 3.96Å; A556-V585 HydrophobicContact CB-CG1 3.66Å; S557-V585 PolarHBondContact O-N 3.2Å; V562-V585 HydrophobicContact CG2-CB 4.04Å; V562-V585 HydrophobicContact CG2-CG1 3.72Å; V562-V585 HydrophobicContact CG2-CG2 3.9Å; H581-V585 HydrophobicContact CB-CG2 4.06Å; V585-A600 VanDerWaalsContact CG1-O 3.24Å; V585-A600 WeakPolarHBondContact CG1-O 3.46Å |
| 586 | W | 95.8 | Very high | 91.8 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -38.8 | -175.3 | -72.3 | 102.9 | 0 | 0 | 0 | 112.7 | N542 S543 A600 Y628 | N542-W586 HydrophobicContact CB-CE3 4.14Å; N542-W586 WeakPolarHBondContact CB-O 3.33Å; S543-W586 WeakPolarHBondContact CB-O 3.35Å; W586-A600 PolarHBondContact N-O 3.1Å; W586-Y628 HydrophobicContact CB-CD1 4.4Å; W586-Y628 WeakPolarHBondContact CB-O 3.4Å; W586-Y628 AromaticContact CD2-CD1 3.71Å; W586-Y628 HydrophobicContact CD2-CD1 3.71Å; W586-Y628 AromaticContact CD2-CE1 3.96Å; W586-Y628 HydrophobicContact CD2-CE1 3.96Å; W586-Y628 AromaticContact CE2-CD1 3.95Å; W586-Y628 AromaticContact CE2-CE1 3.7Å; W586-Y628 HydrophobicContact CE3-CD1 4.05Å; W586-Y628 HydrophobicContact CE3-CE1 4.36Å; W586-Y628 AromaticContact CG-CD1 3.86Å; W586-Y628 HydrophobicContact CG-CD1 3.86Å; W586-Y628 HydrophobicContact CG-CE1 4.38Å; W586-Y628 HydrophobicContact CH2-CE1 4.3Å; W586-Y628 HydrophobicContact CZ2-CD1 4.5Å; W586-Y628 AromaticContact CZ2-CE1 3.91Å; W586-Y628 HydrophobicContact CZ2-CE1 3.91Å; W586-Y628 AromaticContact NE1-CE1 3.96Å |
| 587 | S | 95.4 | Very high | 92 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.2 | -177 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | T599 A600 Y628 A630 | S587-T599 WeakPolarHBondContact O-CA 3.43Å; S587-A600 PolarHBondContact N-O 2.83Å; S587-A600 PolarHBondContact O-N 3.44Å; S587-Y628 WeakPolarHBondContact CB-O 3.4Å; S587-A630 PolarHBondContact OG-N 2.87Å |
| 588 | V | 95.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140 | 171.9 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | D545 A554 A556 V562 V597 L598 T599 | D545-V588 HydrophobicContact CB-CG1 4.47Å; A554-V588 HydrophobicContact CB-CG1 4.36Å; A554-V588 HydrophobicContact CB-CG2 3.63Å; A556-V588 HydrophobicContact CB-CB 3.95Å; A556-V588 HydrophobicContact CB-CG1 3.97Å; V562-V588 HydrophobicContact CG1-CG2 3.93Å; V588-V597 HydrophobicContact CG2-CG1 3.49Å; V588-V597 VanDerWaalsContact CG2-CG1 3.49Å; V588-L598 WeakPolarHBondContact CA-O 3.5Å; V588-T599 HydrophobicContact CG2-CG2 4.38Å |
| 589 | C | 95.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 129 | 179.5 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | D545 L598 | D545-C589 WeakPolarHBondContact OD2-CA 3.42Å; C589-L598 HydrophobicContact CB-CB 4.25Å; C589-L598 HydrophobicContact CB-CD2 4.4Å; C589-L598 PolarHBondContact N-O 2.85Å; C589-L598 PolarHBondContact O-N 3.03Å |
| 590 | F | 94.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.1 | 171.1 | -79.2 | -80 | 0 | 0 | 0 | 110.5 | D545 L552 A554 V597 L611 | D545-F590 HydrophobicContact CB-CD2 4.07Å; D545-F590 WeakPolarHBondContact O-CE2 3.12Å; D545-F590 PolarHBondContact OD2-N 3Å; L552-F590 HydrophobicContact CB-CE1 4.19Å; L552-F590 HydrophobicContact CB-CZ 3.9Å; A554-F590 HydrophobicContact CB-CD2 4.3Å; A554-F590 HydrophobicContact CB-CE1 4.47Å; A554-F590 HydrophobicContact CB-CE2 3.4Å; A554-F590 VanDerWaalsContact CB-CE2 3.4Å; A554-F590 HydrophobicContact CB-CZ 3.51Å; F590-V597 HydrophobicContact CD1-CG2 3.56Å; F590-V597 HydrophobicContact CE1-CG2 3.51Å; F590-V597 HydrophobicContact CG-CG2 4.43Å; F590-V597 HydrophobicContact CZ-CG2 4.34Å; F590-L611 HydrophobicContact CD1-CD1 4.08Å; F590-L611 HydrophobicContact CE1-CD1 3.92Å; F590-L611 HydrophobicContact CE1-CD2 4.02Å |
| 591 | S | 92 | Very high | 92.8 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | trans | -63.1 | 142.4 | 164.6 | 159.8 | 0 | 0 | 0 | 0 | 109.8 | E594 I596 D636 | S591-E594 WeakPolarHBondContact CB-O 3.12Å; S591-E594 WeakPolarHBondContact OG-CA 3.48Å; S591-E594 WeakPolarHBondContact OG-CB 3.25Å; S591-E594 PolarHBondContact OG-N 3.41Å; S591-E594 PolarHBondContact OG-O 3Å; S591-I596 VanDerWaalsContact CB-O 3.29Å; S591-I596 WeakPolarHBondContact CB-O 3.43Å; S591-I596 PolarHBondContact N-O 3.01Å; S591-D636 WeakPolarHBondContact CB-OD2 3.39Å; S591-D636 VanDerWaalsContact OG-CG 3.25Å; S591-D636 PolarHBondContact OG-OD2 2.92Å | ||
| 592 | R | 85.7 | Confident | 92.9 | Very high | 182 Ų | 182 | 50.5 Ų | 50.5 | 69% | 0.687 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -87 | -23.1 | -179.9 | -68.7 | -173.9 | -179.9 | 177.9 | 0.5 | 112.8 | V548 D636 | V548-R592 HydrophobicContact CG2-CB 4.06Å; V548-R592 HydrophobicContact CG2-CG 3.99Å; R592-D636 PolarHBondContact N-OD2 3.22Å; R592-D636 VanDerWaalsContact N-OD2 3.08Å |
| 593 | F | 83.2 | Confident | 92.9 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 58% | 0.575 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -114 | -35.6 | -173.1 | -59.8 | -80.8 | 0 | 0 | 0 | 112.5 | H635 D636 | F593-H635 HydrophobicContact CD2-CB 3.86Å; F593-H635 AromaticContact CE1-ND1 3.47Å; F593-H635 WeakPolarHBondContact CE1-ND1 3.42Å; F593-H635 HydrophobicContact CE2-CB 3.72Å; F593-H635 AromaticContact CE2-CG 3.84Å; F593-H635 AromaticContact CE2-ND1 3.35Å; F593-H635 WeakPolarHBondContact CE2-ND1 3.45Å; F593-H635 HydrophobicContact CG-CB 4.48Å; F593-H635 HydrophobicContact CZ-CB 4.23Å; F593-H635 AromaticContact CZ-CE1 3.82Å; F593-H635 AromaticContact CZ-CG 3.9Å; F593-H635 AromaticContact CZ-ND1 2.96Å; F593-H635 WeakPolarHBondContact CZ-ND1 3.25Å; F593-D636 WeakPolarHBondContact CB-OD2 3.06Å; F593-D636 WeakPolarHBondContact CD2-OD2 3.4Å; F593-D636 PolarHBondContact N-OD2 2.97Å |
| 594 | E | 79.9 | Confident | 92.7 | Very high | 118 Ų | 118 | 36 Ų | 36 | 55% | 0.551 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -109.3 | 160.2 | -178.1 | -57.7 | -167.2 | 168.4 | 0 | 0 | 111.7 | S591 I596 | S591-E594 WeakPolarHBondContact CB-O 3.12Å; S591-E594 WeakPolarHBondContact OG-CA 3.48Å; S591-E594 WeakPolarHBondContact OG-CB 3.25Å; S591-E594 PolarHBondContact OG-N 3.41Å; S591-E594 PolarHBondContact OG-O 3Å; E594-I596 HydrophobicContact CB-CD1 4.01Å; E594-I596 HydrophobicContact CB-CG1 3.97Å; E594-I596 PolarHBondContact O-N 2.94Å; E594-I596 WeakPolarHBondContact OE2-CD1 3.41Å |
| 595 | K | 87.8 | Confident | 92.6 | Very high | 133 Ų | 133 | 36.1 Ų | 36.1 | 58% | 0.578 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -83.2 | 56.9 | 177 | -67.2 | -168.7 | 176.4 | -170.9 | 0 | 111 | L611 | K595-L611 HydrophobicContact CB-CB 4.26Å; K595-L611 HydrophobicContact CB-CD1 4.28Å; K595-L611 WeakPolarHBondContact O-CB 3.43Å; K595-L611 WeakPolarHBondContact O-CG 3.47Å; K595-L611 PolarHBondContact O-N 3.32Å |
| 596 | I | 92 | Very high | 92.5 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.6 | -174.2 | -58.9 | -178.8 | 0 | 0 | 0 | 110.4 | S591 E594 L608 W609 I617 F632 | S591-I596 VanDerWaalsContact CB-O 3.29Å; S591-I596 WeakPolarHBondContact CB-O 3.43Å; S591-I596 PolarHBondContact N-O 3.01Å; E594-I596 HydrophobicContact CB-CD1 4.01Å; E594-I596 HydrophobicContact CB-CG1 3.97Å; E594-I596 PolarHBondContact O-N 2.94Å; E594-I596 WeakPolarHBondContact OE2-CD1 3.41Å; I596-L608 HydrophobicContact CG2-CB 4.11Å; I596-L608 HydrophobicContact CG2-CD2 3.76Å; I596-W609 CarbonylContact C-O 3.51Å; I596-W609 VanDerWaalsContact CA-O 3.25Å; I596-W609 WeakPolarHBondContact CA-O 3.31Å; I596-W609 WeakPolarHBondContact CG2-O 3.19Å; I596-I617 HydrophobicContact CD1-CD1 3.81Å; I596-I617 HydrophobicContact CG1-CD1 3.86Å; I596-I617 HydrophobicContact CG2-CD1 4.21Å; I596-F632 HydrophobicContact CG2-CZ 4.35Å |
| 597 | V | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.3 | 170.2 | 176 | 0 | 0 | 0 | 0 | 109.4 | L578 V588 F590 T599 L608 W609 L611 | L578-V597 HydrophobicContact CD1-CB 4.38Å; L578-V597 HydrophobicContact CD1-CG1 4.25Å; V588-V597 HydrophobicContact CG2-CG1 3.49Å; V588-V597 VanDerWaalsContact CG2-CG1 3.49Å; F590-V597 HydrophobicContact CD1-CG2 3.56Å; F590-V597 HydrophobicContact CE1-CG2 3.51Å; F590-V597 HydrophobicContact CG-CG2 4.43Å; F590-V597 HydrophobicContact CZ-CG2 4.34Å; V597-T599 HydrophobicContact CG1-CG2 4.07Å; V597-L608 CarbonylContact O-C 3.48Å; V597-L608 WeakPolarHBondContact O-CA 3.17Å; V597-W609 HydrophobicContact CB-CB 4.35Å; V597-W609 PolarHBondContact N-O 3.44Å; V597-W609 PolarHBondContact O-N 3.44Å; V597-L611 HydrophobicContact CG2-CD1 4.22Å; V597-L611 HydrophobicContact CG2-CD2 3.38Å; V597-L611 HydrophobicContact CG2-CG 3.86Å |
| 598 | L | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135.8 | 170.9 | -177.4 | 69.5 | 0 | 0 | 0 | 109.5 | V588 C589 V606 R607 L608 A630 F632 I639 | V588-L598 WeakPolarHBondContact CA-O 3.5Å; C589-L598 HydrophobicContact CB-CB 4.25Å; C589-L598 HydrophobicContact CB-CD2 4.4Å; C589-L598 PolarHBondContact N-O 2.85Å; C589-L598 PolarHBondContact O-N 3.03Å; L598-V606 HydrophobicContact CD1-CG1 3.36Å; L598-V606 HydrophobicContact CG-CG1 4.23Å; L598-R607 WeakPolarHBondContact CA-O 3.5Å; L598-L608 HydrophobicContact CB-CD2 4.31Å; L598-L608 HydrophobicContact CD1-CD2 3.61Å; L598-L608 HydrophobicContact CD1-CG 4.35Å; L598-A630 HydrophobicContact CD2-CB 3.77Å; L598-A630 HydrophobicContact CG-CB 4.23Å; L598-F632 HydrophobicContact CB-CD2 4.27Å; L598-F632 HydrophobicContact CB-CE1 4.39Å; L598-F632 HydrophobicContact CB-CE2 3.45Å; L598-F632 VanDerWaalsContact CB-CE2 3.45Å; L598-F632 HydrophobicContact CB-CZ 3.55Å; L598-F632 HydrophobicContact CD2-CD2 4.31Å; L598-F632 HydrophobicContact CD2-CE2 4.25Å; L598-F632 HydrophobicContact CD2-CZ 4.43Å; L598-F632 HydrophobicContact CG-CE2 4.44Å; L598-F632 HydrophobicContact CG-CZ 4.41Å; L598-I639 HydrophobicContact CD1-CD1 3.7Å; L598-I639 HydrophobicContact CD1-CG1 4.1Å; L598-I639 HydrophobicContact CD1-CG2 4.09Å; L598-I639 HydrophobicContact CD2-CG1 4.34Å; L598-I639 HydrophobicContact CD2-CG2 3.77Å |
| 599 | T | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.4 | 174.4 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | V562 H581 S587 V588 V597 V606 R607 W609 | V562-T599 HydrophobicContact CB-CG2 4.38Å; V562-T599 HydrophobicContact CG1-CG2 4.46Å; V562-T599 HydrophobicContact CG2-CG2 3.68Å; H581-T599 PolarHBondContact NE2-OG1 3.37Å; S587-T599 WeakPolarHBondContact O-CA 3.43Å; V588-T599 HydrophobicContact CG2-CG2 4.38Å; V597-T599 HydrophobicContact CG1-CG2 4.07Å; T599-V606 CarbonylContact O-C 3.52Å; T599-V606 WeakPolarHBondContact O-CA 3.12Å; T599-R607 PolarHBondContact N-O 2.92Å; T599-R607 PolarHBondContact O-N 2.68Å; T599-R607 PolarHBondContact OG1-O 3.14Å; T599-W609 PolarHBondContact OG1-NE1 2.94Å |
| 600 | A | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V585 W586 S587 V606 V627 A630 | V585-A600 VanDerWaalsContact CG1-O 3.24Å; V585-A600 WeakPolarHBondContact CG1-O 3.46Å; W586-A600 PolarHBondContact N-O 3.1Å; S587-A600 PolarHBondContact N-O 2.83Å; S587-A600 PolarHBondContact O-N 3.44Å; A600-V606 HydrophobicContact CB-CG2 4.46Å; A600-V627 HydrophobicContact CB-CB 4.07Å; A600-V627 HydrophobicContact CB-CG1 3.67Å; A600-A630 HydrophobicContact CB-CB 3.75Å |
| 601 | S | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 158.8 | -168.4 | 156.6 | 0 | 0 | 0 | 0 | 112.2 | H581 R583 G584 D603 G604 D605 V627 | H581-S601 WeakPolarHBondContact ND1-CB 3.38Å; H581-S601 PolarHBondContact ND1-OG 2.95Å; R583-S601 PolarHBondContact O-OG 3.47Å; G584-S601 PolarHBondContact O-OG 2.88Å; S601-D603 WeakPolarHBondContact CB-OD1 3.49Å; S601-D603 PolarHBondContact O-N 2.94Å; S601-D603 VanDerWaalsContact O-N 3.08Å; S601-D603 PolarHBondContact OG-N 2.92Å; S601-D603 PolarHBondContact OG-OD1 3.49Å; S601-D603 PolarHBondContact OG-OD2 3.4Å; S601-G604 PolarHBondContact O-N 3.22Å; S601-D605 PolarHBondContact N-O 2.96Å; S601-V627 PolarHBondContact O-N 3.41Å; S601-V627 VanDerWaalsContact O-N 3.15Å |
| 602 | G | 94.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 1.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R583 G584 G604 | R583-G602 WeakPolarHBondContact CD-O 3.46Å; R583-G602 PolarHBondContact NH1-O 3.35Å; G584-G602 PolarHBondContact O-N 3.06Å; G602-G604 VanDerWaalsContact C-N 3.32Å |
| 603 | D | 93.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 39 Ų | 39 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.9 | 172 | 56.6 | -2.1 | 0 | 0 | 0 | 113.4 | H581 R582 R583 S601 D605 R607 | H581-D603 IonicContact CG-OD2 3.92Å; H581-D603 IonicContact ND1-OD1 3.88Å; H581-D603 PolarHBondContact ND1-OD1 3.43Å; H581-D603 IonicContact ND1-OD2 4Å; H581-D603 PolarHBondContact ND1-OD2 2.92Å; R582-D603 HydrophobicContact CB-CB 4.03Å; R582-D603 PolarHBondContact N-OD2 3.46Å; R583-D603 HydrophobicContact CB-CB 4.12Å; R583-D603 HydrophobicContact CG-CB 4.31Å; S601-D603 WeakPolarHBondContact CB-OD1 3.49Å; S601-D603 PolarHBondContact O-N 2.94Å; S601-D603 VanDerWaalsContact O-N 3.08Å; S601-D603 PolarHBondContact OG-N 2.92Å; S601-D603 PolarHBondContact OG-OD1 3.49Å; S601-D603 PolarHBondContact OG-OD2 3.4Å; D603-D605 VanDerWaalsContact C-N 3.31Å; D603-D605 PolarHBondContact OD1-N 2.99Å; D603-R607 IonicContact OD2-NH2 3.64Å |
| 604 | G | 91.5 | Very high | 92 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 90.3 | -3.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S601 G602 H623 Q625 | S601-G604 PolarHBondContact O-N 3.22Å; G602-G604 VanDerWaalsContact C-N 3.32Å; G604-H623 WeakPolarHBondContact O-CB 3.25Å; G604-Q625 WeakPolarHBondContact CA-O 3.34Å |
| 605 | D | 93.1 | Very high | 92.6 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 10% | 0.102 | 16% | 0.159 | C | C | . | . | trans | -97.4 | 139.7 | -176.6 | -65.8 | -13.5 | 0 | 0 | 0 | 111.4 | S601 D603 R607 T619 | S601-D605 PolarHBondContact N-O 2.96Å; D603-D605 VanDerWaalsContact C-N 3.31Å; D603-D605 PolarHBondContact OD1-N 2.99Å; D605-R607 IonicContact OD2-CZ 3.49Å; D605-R607 IonicContact OD2-NE 3.4Å; D605-R607 IonicContact OD2-NH2 3.85Å; D605-R607 PolarHBondContact OD2-NH2 3.01Å; D605-T619 HydrophobicContact CB-CG2 3.87Å | ||
| 606 | V | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.2 | 164.7 | 179 | 0 | 0 | 0 | 0 | 108.4 | L598 T599 A600 L620 V627 A630 I639 | L598-V606 HydrophobicContact CD1-CG1 3.36Å; L598-V606 HydrophobicContact CG-CG1 4.23Å; T599-V606 CarbonylContact O-C 3.52Å; T599-V606 WeakPolarHBondContact O-CA 3.12Å; A600-V606 HydrophobicContact CB-CG2 4.46Å; V606-L620 HydrophobicContact CB-CB 4.18Å; V606-L620 HydrophobicContact CB-CD1 4.4Å; V606-L620 HydrophobicContact CG1-CD1 4.2Å; V606-L620 PolarHBondContact N-O 3.27Å; V606-L620 WeakPolarHBondContact O-CB 3.48Å; V606-L620 PolarHBondContact O-N 3.38Å; V606-V627 HydrophobicContact CG2-CB 4.44Å; V606-V627 HydrophobicContact CG2-CG1 3.98Å; V606-V627 HydrophobicContact CG2-CG2 4.25Å; V606-A630 HydrophobicContact CG1-CB 4.33Å; V606-I639 HydrophobicContact CG1-CG2 4.38Å |
| 607 | R | 94.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.1 | -176 | -69.4 | -173.2 | -174.7 | 145.8 | 13.3 | 112.6 | G580 L598 T599 D603 D605 W609 R618 T619 | G580-R607 PolarHBondContact O-NH1 3.32Å; L598-R607 WeakPolarHBondContact CA-O 3.5Å; T599-R607 PolarHBondContact N-O 2.92Å; T599-R607 PolarHBondContact O-N 2.68Å; T599-R607 PolarHBondContact OG1-O 3.14Å; D603-R607 IonicContact OD2-NH2 3.64Å; D605-R607 IonicContact OD2-CZ 3.49Å; D605-R607 IonicContact OD2-NE 3.4Å; D605-R607 IonicContact OD2-NH2 3.85Å; D605-R607 PolarHBondContact OD2-NH2 3.01Å; R607-W609 HydrophobicContact CB-CZ2 4.22Å; R607-R618 WeakPolarHBondContact CA-O 3.03Å; R607-T619 HydrophobicContact CG-CG2 3.86Å; R607-T619 PolarHBondContact NE-OG1 3.4Å |
| 608 | L | 93.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.6 | 172 | -68.6 | 171.8 | 0 | 0 | 0 | 109.2 | I596 V597 L598 C616 I617 R618 F632 I639 I653 | I596-L608 HydrophobicContact CG2-CB 4.11Å; I596-L608 HydrophobicContact CG2-CD2 3.76Å; V597-L608 CarbonylContact O-C 3.48Å; V597-L608 WeakPolarHBondContact O-CA 3.17Å; L598-L608 HydrophobicContact CB-CD2 4.31Å; L598-L608 HydrophobicContact CD1-CD2 3.61Å; L598-L608 HydrophobicContact CD1-CG 4.35Å; L608-C616 CarbonylContact O-C 3.41Å; L608-I617 HydrophobicContact CB-CB 4.31Å; L608-I617 PolarHBondContact O-N 2.86Å; L608-R618 HydrophobicContact CD1-CB 4.46Å; L608-R618 PolarHBondContact N-O 2.86Å; L608-F632 HydrophobicContact CD2-CE1 3.77Å; L608-F632 HydrophobicContact CD2-CZ 3.72Å; L608-I639 HydrophobicContact CD1-CD1 4.17Å; L608-I639 HydrophobicContact CD2-CD1 4.06Å; L608-I639 HydrophobicContact CG-CD1 4.31Å; L608-I653 HydrophobicContact CD1-CD1 4.34Å; L608-I653 HydrophobicContact CD1-CG1 4.23Å; L608-I653 HydrophobicContact CD1-CG2 4.24Å |
| 609 | W | 94 | Very high | 92.1 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 137.5 | -175.9 | -58.6 | 88.1 | 0 | 0 | 0 | 111.3 | L578 Q579 I596 V597 T599 R607 S615 C616 | L578-W609 HydrophobicContact CB-CD2 4.02Å; L578-W609 HydrophobicContact CB-CE3 4.02Å; L578-W609 HydrophobicContact CB-CZ3 4.27Å; L578-W609 HydrophobicContact CD1-CB 3.79Å; L578-W609 HydrophobicContact CD1-CD2 4.07Å; L578-W609 HydrophobicContact CD1-CG 3.66Å; L578-W609 HydrophobicContact CD2-CB 3.85Å; L578-W609 HydrophobicContact CD2-CD2 3.95Å; L578-W609 HydrophobicContact CD2-CE3 3.72Å; L578-W609 HydrophobicContact CD2-CG 4.03Å; L578-W609 HydrophobicContact CG-CB 4.44Å; L578-W609 HydrophobicContact CG-CD2 4.24Å; L578-W609 HydrophobicContact CG-CE3 4.34Å; L578-W609 HydrophobicContact CG-CG 4.29Å; Q579-W609 WeakPolarHBondContact O-CH2 3.33Å; I596-W609 CarbonylContact C-O 3.51Å; I596-W609 VanDerWaalsContact CA-O 3.25Å; I596-W609 WeakPolarHBondContact CA-O 3.31Å; I596-W609 WeakPolarHBondContact CG2-O 3.19Å; V597-W609 HydrophobicContact CB-CB 4.35Å; V597-W609 PolarHBondContact N-O 3.44Å; V597-W609 PolarHBondContact O-N 3.44Å; T599-W609 PolarHBondContact OG1-NE1 2.94Å; R607-W609 HydrophobicContact CB-CZ2 4.22Å; W609-S615 WeakPolarHBondContact CA-O 2.79Å; W609-C616 HydrophobicContact CD2-CB 4.36Å; W609-C616 HydrophobicContact CE3-CB 3.85Å; W609-C616 HydrophobicContact CH2-CB 4.01Å; W609-C616 HydrophobicContact CZ2-CB 4.49Å; W609-C616 HydrophobicContact CZ3-CB 3.67Å |
| 610 | N | 91.9 | Very high | 91.8 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 19% | 0.193 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.5 | 173.2 | -177.3 | 3.3 | 0 | 0 | 0 | 109.8 | K612 D613 F614 S615 I617 | N610-K612 PolarHBondContact O-N 3.01Å; N610-K612 PolarHBondContact OD1-N 3.45Å; N610-D613 PolarHBondContact ND2-OD2 3.26Å; N610-D613 VanDerWaalsContact ND2-OD2 3.14Å; N610-F614 VanDerWaalsContact O-CA 3.23Å; N610-F614 WeakPolarHBondContact O-CA 3.37Å; N610-F614 PolarHBondContact O-N 3.44Å; N610-S615 PolarHBondContact N-O 3.41Å; N610-I617 HydrophobicContact CB-CD1 3.84Å; N610-I617 HydrophobicContact CB-CG1 3.82Å |
| 611 | L | 88.3 | Confident | 91.4 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16.5 | 178.4 | -74.2 | 175.7 | 0 | 0 | 0 | 114.6 | L552 I564 F590 K595 V597 | L552-L611 HydrophobicContact CD1-CD1 4.15Å; I564-L611 HydrophobicContact CD1-CD2 3.39Å; I564-L611 HydrophobicContact CG1-CD2 4.34Å; F590-L611 HydrophobicContact CD1-CD1 4.08Å; F590-L611 HydrophobicContact CE1-CD1 3.92Å; F590-L611 HydrophobicContact CE1-CD2 4.02Å; K595-L611 HydrophobicContact CB-CB 4.26Å; K595-L611 HydrophobicContact CB-CD1 4.28Å; K595-L611 WeakPolarHBondContact O-CB 3.43Å; K595-L611 WeakPolarHBondContact O-CG 3.47Å; K595-L611 PolarHBondContact O-N 3.32Å; V597-L611 HydrophobicContact CG2-CD1 4.22Å; V597-L611 HydrophobicContact CG2-CD2 3.38Å; V597-L611 HydrophobicContact CG2-CG 3.86Å |
| 612 | K | 87.6 | Confident | 90.8 | Very high | 151 Ų | 151 | 45.2 Ų | 45.2 | 66% | 0.657 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -47.7 | 179.4 | -66.7 | -177.8 | 178.4 | 176.8 | 0 | 112.6 | N610 | N610-K612 PolarHBondContact O-N 3.01Å; N610-K612 PolarHBondContact OD1-N 3.45Å |
| 613 | D | 87.8 | Confident | 90.5 | Very high | 117 Ų | 117 | 45.5 Ų | 45.5 | 63% | 0.626 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -5.1 | -172.2 | -53.2 | -38.6 | 0 | 0 | 0 | 112.5 | N610 S615 | N610-D613 PolarHBondContact ND2-OD2 3.26Å; N610-D613 VanDerWaalsContact ND2-OD2 3.14Å; D613-S615 PolarHBondContact O-N 2.97Å |
| 614 | F | 90.4 | Very high | 90.3 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 22% | 0.224 | 26% | 0.262 | C | S | . | . | trans | 55.4 | 20.9 | -173.5 | -58.1 | -74.4 | 0 | 0 | 0 | 113.7 | I564 Q575 L578 N610 | I564-F614 HydrophobicContact CB-CE1 4.21Å; I564-F614 HydrophobicContact CD1-CD1 3.75Å; I564-F614 HydrophobicContact CD1-CE1 3.55Å; I564-F614 HydrophobicContact CG1-CE1 4.47Å; Q575-F614 HydrophobicContact CG-CZ 4.13Å; L578-F614 HydrophobicContact CD2-CB 3.82Å; L578-F614 HydrophobicContact CD2-CD1 3.79Å; L578-F614 HydrophobicContact CD2-CG 4.31Å; N610-F614 VanDerWaalsContact O-CA 3.23Å; N610-F614 WeakPolarHBondContact O-CA 3.37Å; N610-F614 PolarHBondContact O-N 3.44Å | ||
| 615 | S | 90.8 | Very high | 90.4 | Very high | 53 Ų | 53 | 53 Ų | 53 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | trans | -89.9 | 150.7 | 179.9 | 61 | 0 | 0 | 0 | 0 | 111.7 | W609 N610 D613 I617 | W609-S615 WeakPolarHBondContact CA-O 2.79Å; N610-S615 PolarHBondContact N-O 3.41Å; D613-S615 PolarHBondContact O-N 2.97Å; S615-I617 PolarHBondContact O-N 3.42Å | ||
| 616 | C | 90.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 52.7 Ų | 52.7 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.8 | 173.4 | -176 | 0 | 0 | 0 | 0 | 109.5 | L608 W609 | L608-C616 CarbonylContact O-C 3.41Å; W609-C616 HydrophobicContact CD2-CB 4.36Å; W609-C616 HydrophobicContact CE3-CB 3.85Å; W609-C616 HydrophobicContact CH2-CB 4.01Å; W609-C616 HydrophobicContact CZ2-CB 4.49Å; W609-C616 HydrophobicContact CZ3-CB 3.67Å |
| 617 | I | 89.5 | Confident | 90.6 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 46% | 0.456 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -48.7 | 177.9 | -59.5 | 170.2 | 0 | 0 | 0 | 109.9 | I596 L608 N610 S615 | I596-I617 HydrophobicContact CD1-CD1 3.81Å; I596-I617 HydrophobicContact CG1-CD1 3.86Å; I596-I617 HydrophobicContact CG2-CD1 4.21Å; L608-I617 HydrophobicContact CB-CB 4.31Å; L608-I617 PolarHBondContact O-N 2.86Å; N610-I617 HydrophobicContact CB-CD1 3.84Å; N610-I617 HydrophobicContact CB-CG1 3.82Å; S615-I617 PolarHBondContact O-N 3.42Å |
| 618 | R | 89.2 | Confident | 90.6 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 33% | 0.328 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 141.7 | -175.2 | -172.8 | 177.3 | -77.9 | 169.5 | -3 | 109.8 | R607 L608 L620 I653 | R607-R618 WeakPolarHBondContact CA-O 3.03Å; L608-R618 HydrophobicContact CD1-CB 4.46Å; L608-R618 PolarHBondContact N-O 2.86Å; R618-L620 HydrophobicContact CG-CD2 4.2Å; R618-I653 PolarHBondContact NH1-O 3.31Å |
| 619 | T | 91 | Very high | 90.7 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.7 | 166.8 | -56.8 | 0 | 0 | 0 | 0 | 107.9 | D605 R607 E621 | D605-T619 HydrophobicContact CB-CG2 3.87Å; R607-T619 HydrophobicContact CG-CG2 3.86Å; R607-T619 PolarHBondContact NE-OG1 3.4Å; T619-E621 HydrophobicContact CG2-CG 3.75Å |
| 620 | L | 90.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 95.7 | 175.7 | -60.3 | 170.8 | 0 | 0 | 0 | 107 | V606 R618 I639 W651 | V606-L620 HydrophobicContact CB-CB 4.18Å; V606-L620 HydrophobicContact CB-CD1 4.4Å; V606-L620 HydrophobicContact CG1-CD1 4.2Å; V606-L620 PolarHBondContact N-O 3.27Å; V606-L620 WeakPolarHBondContact O-CB 3.48Å; V606-L620 PolarHBondContact O-N 3.38Å; R618-L620 HydrophobicContact CG-CD2 4.2Å; L620-I639 HydrophobicContact CD1-CD1 3.48Å; L620-I639 VanDerWaalsContact CD1-CD1 3.48Å; L620-W651 HydrophobicContact CB-CD2 4.09Å; L620-W651 HydrophobicContact CB-CE3 3.99Å; L620-W651 HydrophobicContact CB-CH2 4.3Å; L620-W651 HydrophobicContact CB-CZ2 4.4Å; L620-W651 HydrophobicContact CB-CZ3 4.1Å; L620-W651 HydrophobicContact CD1-CB 4.01Å; L620-W651 HydrophobicContact CD1-CD2 4.08Å; L620-W651 HydrophobicContact CD1-CE3 4.47Å; L620-W651 HydrophobicContact CD1-CG 3.87Å; L620-W651 HydrophobicContact CD2-CD2 4.49Å; L620-W651 HydrophobicContact CD2-CE3 4.06Å; L620-W651 HydrophobicContact CG-CD2 4.45Å; L620-W651 HydrophobicContact CG-CE3 4.4Å |
| 621 | E | 87.9 | Confident | 90.8 | Very high | 126 Ų | 126 | 54 Ų | 54 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | trans | -90.3 | 138.2 | 177.5 | -58 | -176.6 | 173.5 | 0 | 0 | 109 | T619 W651 | T619-E621 HydrophobicContact CG2-CG 3.75Å; E621-W651 WeakPolarHBondContact O-CH2 3.32Å | ||
| 622 | G | 83.8 | Confident | 91 | Very high | 30 Ų | 30 | 54 Ų | 54 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | trans | 163.9 | -26.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D624 R649 | G622-D624 PolarHBondContact O-N 3.4Å; G622-R649 VanDerWaalsContact CA-NH1 3.28Å; G622-R649 PolarHBondContact O-NH1 3.29Å; G622-R649 PolarHBondContact O-NH2 3.04Å | ||
| 623 | H | 88 | Confident | 91.1 | Very high | 11 Ų | 11 | 47 Ų | 47 | 5% | 0.051 | 25% | 0.249 | C | C | . | . | trans | -72.2 | 126 | 171.6 | -69 | -77.6 | 0 | 0 | 0 | 110.2 | G604 Q625 V627 S641 D643 R649 W651 | G604-H623 WeakPolarHBondContact O-CB 3.25Å; H623-Q625 PolarHBondContact O-N 3.07Å; H623-V627 HydrophobicContact CB-CG2 3.82Å; H623-V627 VanDerWaalsContact CD2-CG2 3.41Å; H623-V627 WeakPolarHBondContact CD2-CG2 3.48Å; H623-S641 PolarHBondContact NE2-OG 2.89Å; H623-D643 IonicContact ND1-OD2 3.65Å; H623-R649 WeakPolarHBondContact CE1-CD 3.5Å; H623-R649 WeakPolarHBondContact CE1-CG 3.39Å; H623-R649 PolarHBondContact ND1-NE 3.3Å; H623-W651 AromaticContact CD2-CZ2 3.83Å | ||
| 624 | D | 88.6 | Confident | 90.9 | Very high | 135 Ų | 135 | 41.4 Ų | 41.4 | 72% | 0.722 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -75.1 | -12.6 | 173.9 | -86 | -7.5 | 0 | 0 | 0 | 112.8 | G622 | G622-D624 PolarHBondContact O-N 3.4Š|
| 625 | Q | 92.9 | Very high | 90.5 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -127.6 | 160 | -170.7 | -68.2 | -59.3 | -45.6 | 0 | 0 | 111.7 | G604 H623 V627 D643 Q644 K645 | G604-Q625 WeakPolarHBondContact CA-O 3.34Å; H623-Q625 PolarHBondContact O-N 3.07Å; Q625-V627 PolarHBondContact O-N 3.4Å; Q625-D643 HydrophobicContact CB-CB 4.48Å; Q625-Q644 HydrophobicContact CB-CB 3.89Å; Q625-K645 HydrophobicContact CG-CB 4.3Å; Q625-K645 HydrophobicContact CG-CD 3.57Å; Q625-K645 HydrophobicContact CG-CG 3.74Å |
| 626 | P | 95.2 | Very high | 90 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | trans | -47.1 | 130.7 | 173.2 | -32.8 | 39.8 | 0 | 0 | 0 | 113 | Y628 D643 Q644 | P626-Y628 HydrophobicContact CB-CE2 4.41Å; P626-D643 CarbonylContact O-C 3.59Å; P626-D643 WeakPolarHBondContact O-CA 3.21Å; P626-Q644 HydrophobicContact CB-CB 4.47Å; P626-Q644 VanDerWaalsContact CD-OE1 3.23Å; P626-Q644 VanDerWaalsContact CG-OE1 3.24Å; P626-Q644 PolarHBondContact O-N 3.48Å | ||
| 627 | V | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.3 | 174 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | A600 S601 V606 H623 Q625 C642 | A600-V627 HydrophobicContact CB-CB 4.07Å; A600-V627 HydrophobicContact CB-CG1 3.67Å; S601-V627 PolarHBondContact O-N 3.41Å; S601-V627 VanDerWaalsContact O-N 3.15Å; V606-V627 HydrophobicContact CG2-CB 4.44Å; V606-V627 HydrophobicContact CG2-CG1 3.98Å; V606-V627 HydrophobicContact CG2-CG2 4.25Å; H623-V627 HydrophobicContact CB-CG2 3.82Å; H623-V627 VanDerWaalsContact CD2-CG2 3.41Å; H623-V627 WeakPolarHBondContact CD2-CG2 3.48Å; Q625-V627 PolarHBondContact O-N 3.4Å; V627-C642 CarbonylContact C-O 3.59Å; V627-C642 WeakPolarHBondContact CA-O 3.45Å; V627-C642 VanDerWaalsContact CG1-O 3.23Å; V627-C642 WeakPolarHBondContact CG1-O 3.29Å |
| 628 | Y | 95.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -37.5 | -175.1 | -68.8 | -67.8 | 0 | 0 | 0 | 113.1 | W586 S587 P626 C642 Q644 R686 W688 | W586-Y628 HydrophobicContact CB-CD1 4.4Å; W586-Y628 WeakPolarHBondContact CB-O 3.4Å; W586-Y628 AromaticContact CD2-CD1 3.71Å; W586-Y628 HydrophobicContact CD2-CD1 3.71Å; W586-Y628 AromaticContact CD2-CE1 3.96Å; W586-Y628 HydrophobicContact CD2-CE1 3.96Å; W586-Y628 AromaticContact CE2-CD1 3.95Å; W586-Y628 AromaticContact CE2-CE1 3.7Å; W586-Y628 HydrophobicContact CE3-CD1 4.05Å; W586-Y628 HydrophobicContact CE3-CE1 4.36Å; W586-Y628 AromaticContact CG-CD1 3.86Å; W586-Y628 HydrophobicContact CG-CD1 3.86Å; W586-Y628 HydrophobicContact CG-CE1 4.38Å; W586-Y628 HydrophobicContact CH2-CE1 4.3Å; W586-Y628 HydrophobicContact CZ2-CD1 4.5Å; W586-Y628 AromaticContact CZ2-CE1 3.91Å; W586-Y628 HydrophobicContact CZ2-CE1 3.91Å; W586-Y628 AromaticContact NE1-CE1 3.96Å; S587-Y628 WeakPolarHBondContact CB-O 3.4Å; P626-Y628 HydrophobicContact CB-CE2 4.41Å; Y628-C642 PolarHBondContact N-O 3.02Å; Y628-Q644 HydrophobicContact CE2-CB 3.71Å; Y628-Q644 HydrophobicContact CE2-CG 3.82Å; Y628-R686 HydrophobicContact CE2-CB 4.2Å; Y628-R686 HydrophobicContact CE2-CG 4.02Å; Y628-W688 HydrophobicContact CD1-CE3 4.16Å; Y628-W688 AromaticContact CD1-CZ3 3.82Å; Y628-W688 HydrophobicContact CD1-CZ3 3.82Å; Y628-W688 HydrophobicContact CE1-CE3 4.48Å; Y628-W688 HydrophobicContact CE1-CH2 4.2Å; Y628-W688 AromaticContact CE1-CZ3 3.75Å; Y628-W688 HydrophobicContact CE1-CZ3 3.75Å; Y628-W688 HydrophobicContact CG-CE3 4.28Å; Y628-W688 HydrophobicContact CG-CZ3 4.33Å |
| 629 | K | 94.9 | Very high | 89.9 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 17% | 0.17 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.7 | -179.2 | -151.7 | 94.4 | 172.3 | -167.5 | 0 | 110 | S641 C642 L690 | K629-S641 WeakPolarHBondContact O-CA 3.49Å; K629-C642 HydrophobicContact CB-CB 4.43Å; K629-C642 PolarHBondContact O-N 3.06Å; K629-L690 HydrophobicContact CG-CB 4.34Å |
| 630 | A | 95 | Very high | 90 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 141 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S587 L598 A600 V606 I639 L640 | S587-A630 PolarHBondContact OG-N 2.87Å; L598-A630 HydrophobicContact CD2-CB 3.77Å; L598-A630 HydrophobicContact CG-CB 4.23Å; A600-A630 HydrophobicContact CB-CB 3.75Å; V606-A630 HydrophobicContact CG1-CB 4.33Å; A630-I639 HydrophobicContact CB-CG2 4.4Å; A630-L640 CarbonylContact C-O 3.49Å; A630-L640 WeakPolarHBondContact CA-O 3.48Å |
| 631 | V | 94.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 32.1 Ų | 32.1 | 20% | 0.2 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.2 | -172.6 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | I639 L640 L690 I692 | V631-I639 WeakPolarHBondContact O-CA 3.12Å; V631-L640 PolarHBondContact N-O 2.9Å; V631-L640 PolarHBondContact O-N 3.11Å; V631-L690 HydrophobicContact CB-CD2 3.99Å; V631-L690 HydrophobicContact CG2-CD2 3.66Å; V631-I692 HydrophobicContact CB-CD1 3.87Å; V631-I692 HydrophobicContact CG1-CD1 3.48Å; V631-I692 VanDerWaalsContact CG1-CD1 3.48Å; V631-I692 HydrophobicContact CG1-CG1 4.35Å |
| 632 | F | 92.8 | Very high | 90.5 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 148.5 | 173.3 | -70.1 | -74.7 | 0 | 0 | 0 | 112.7 | I596 L598 L608 D636 I639 I653 | I596-F632 HydrophobicContact CG2-CZ 4.35Å; L598-F632 HydrophobicContact CB-CD2 4.27Å; L598-F632 HydrophobicContact CB-CE1 4.39Å; L598-F632 HydrophobicContact CB-CE2 3.45Å; L598-F632 VanDerWaalsContact CB-CE2 3.45Å; L598-F632 HydrophobicContact CB-CZ 3.55Å; L598-F632 HydrophobicContact CD2-CD2 4.31Å; L598-F632 HydrophobicContact CD2-CE2 4.25Å; L598-F632 HydrophobicContact CD2-CZ 4.43Å; L598-F632 HydrophobicContact CG-CE2 4.44Å; L598-F632 HydrophobicContact CG-CZ 4.41Å; L608-F632 HydrophobicContact CD2-CE1 3.77Å; L608-F632 HydrophobicContact CD2-CZ 3.72Å; F632-D636 VanDerWaalsContact CB-OD1 3.27Å; F632-D636 WeakPolarHBondContact CB-OD1 3.34Å; F632-D636 HydrophobicContact CD1-CB 4.05Å; F632-D636 HydrophobicContact CE1-CB 4.46Å; F632-D636 HydrophobicContact CG-CB 4.49Å; F632-D636 WeakPolarHBondContact CG-OD1 3.43Å; F632-I639 HydrophobicContact CD1-CG1 3.94Å; F632-I639 HydrophobicContact CE1-CD1 4.48Å; F632-I639 HydrophobicContact CE1-CG1 4.09Å; F632-I653 HydrophobicContact CD1-CD1 4.18Å; F632-I653 HydrophobicContact CE1-CD1 4.01Å |
| 633 | L | 88.7 | Confident | 91 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.6 | 177.4 | -174.4 | 74.5 | 0 | 0 | 0 | 110 | K4 F7 H635 D636 K637 Q638 L640 L650 I692 E696 | K4-L633 HydrophobicContact CB-CD2 4.48Å; K4-L633 HydrophobicContact CG-CD2 4.08Å; F7-L633 HydrophobicContact CE2-CD2 3.78Å; F7-L633 HydrophobicContact CZ-CD2 3.72Å; L633-H635 PolarHBondContact O-N 2.91Å; L633-D636 PolarHBondContact O-N 3.04Å; L633-K637 PolarHBondContact O-N 2.92Å; L633-Q638 HydrophobicContact CB-CB 4.1Å; L633-Q638 HydrophobicContact CD2-CB 4.46Å; L633-Q638 PolarHBondContact N-O 2.6Å; L633-Q638 PolarHBondContact O-N 2.8Å; L633-Q638 VanDerWaalsContact O-N 3.08Å; L633-L640 HydrophobicContact CD2-CD1 4.27Å; L633-L640 HydrophobicContact CD2-CG 4.46Å; L633-L650 HydrophobicContact CD2-CD1 3.95Å; L633-I692 HydrophobicContact CD1-CD1 4.24Å; L633-I692 HydrophobicContact CD1-CG2 3.83Å; L633-E696 HydrophobicContact CD1-CB 4.15Å; L633-E696 HydrophobicContact CD1-CG 3.97Å |
| 634 | S | 84.1 | Confident | 91.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 45.4 | 169.3 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | K637 Q638 E696 | S634-K637 WeakPolarHBondContact O-CG 3.4Å; S634-K637 PolarHBondContact O-N 3.47Å; S634-Q638 WeakPolarHBondContact OG-CB 3.5Å; S634-Q638 WeakPolarHBondContact OG-CG 3.33Å; S634-Q638 PolarHBondContact OG-N 2.8Å; S634-Q638 PolarHBondContact OG-OE1 3.44Å; S634-E696 WeakPolarHBondContact CA-OE1 3.41Å; S634-E696 WeakPolarHBondContact CA-OE2 3.38Å; S634-E696 PolarHBondContact N-OE1 3.04Å; S634-E696 PolarHBondContact N-OE2 3.26Å |
| 635 | H | 81.7 | Confident | 91.4 | Very high | 83 Ų | 83 | 25.9 Ų | 25.9 | 38% | 0.384 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 51.9 | -173 | -56 | -97.2 | 0 | 0 | 0 | 113.4 | M1 F593 L633 K637 | M1-H635 PolarHBondContact N-NE2 3.26Å; F593-H635 HydrophobicContact CD2-CB 3.86Å; F593-H635 AromaticContact CE1-ND1 3.47Å; F593-H635 WeakPolarHBondContact CE1-ND1 3.42Å; F593-H635 HydrophobicContact CE2-CB 3.72Å; F593-H635 AromaticContact CE2-CG 3.84Å; F593-H635 AromaticContact CE2-ND1 3.35Å; F593-H635 WeakPolarHBondContact CE2-ND1 3.45Å; F593-H635 HydrophobicContact CG-CB 4.48Å; F593-H635 HydrophobicContact CZ-CB 4.23Å; F593-H635 AromaticContact CZ-CE1 3.82Å; F593-H635 AromaticContact CZ-CG 3.9Å; F593-H635 AromaticContact CZ-ND1 2.96Å; F593-H635 WeakPolarHBondContact CZ-ND1 3.25Å; L633-H635 PolarHBondContact O-N 2.91Å; H635-K637 PolarHBondContact O-N 3.34Å; H635-K637 VanDerWaalsContact O-N 3.13Å |
| 636 | D | 80.6 | Confident | 91.4 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 8% | 0.08 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 15 | 177.5 | -49.7 | -28.6 | 0 | 0 | 0 | 114.9 | S591 R592 F593 F632 L633 I653 | S591-D636 WeakPolarHBondContact CB-OD2 3.39Å; S591-D636 VanDerWaalsContact OG-CG 3.25Å; S591-D636 PolarHBondContact OG-OD2 2.92Å; R592-D636 PolarHBondContact N-OD2 3.22Å; R592-D636 VanDerWaalsContact N-OD2 3.08Å; F593-D636 WeakPolarHBondContact CB-OD2 3.06Å; F593-D636 WeakPolarHBondContact CD2-OD2 3.4Å; F593-D636 PolarHBondContact N-OD2 2.97Å; F632-D636 VanDerWaalsContact CB-OD1 3.27Å; F632-D636 WeakPolarHBondContact CB-OD1 3.34Å; F632-D636 HydrophobicContact CD1-CB 4.05Å; F632-D636 HydrophobicContact CE1-CB 4.46Å; F632-D636 HydrophobicContact CG-CB 4.49Å; F632-D636 WeakPolarHBondContact CG-OD1 3.43Å; L633-D636 PolarHBondContact O-N 3.04Å; D636-I653 WeakPolarHBondContact O-CD1 3.37Å |
| 637 | K | 85.5 | Confident | 91.3 | Very high | 86 Ų | 86 | 24.4 Ų | 24.4 | 37% | 0.374 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -21.6 | 171.8 | -64 | 177 | -176.4 | 173.5 | 0 | 112.7 | T3 L633 S634 H635 I653 | T3-K637 HydrophobicContact CG2-CB 4.26Å; T3-K637 HydrophobicContact CG2-CD 3.8Å; L633-K637 PolarHBondContact O-N 2.92Å; S634-K637 WeakPolarHBondContact O-CG 3.4Å; S634-K637 PolarHBondContact O-N 3.47Å; H635-K637 PolarHBondContact O-N 3.34Å; H635-K637 VanDerWaalsContact O-N 3.13Å; K637-I653 WeakPolarHBondContact O-CB 3.2Å; K637-I653 PolarHBondContact O-N 3.21Å |
| 638 | Q | 89.5 | Confident | 91.1 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.4 | -177.1 | -69.6 | 179.3 | -22.6 | 0 | 0 | 111.6 | K4 L633 S634 L650 W651 N652 | K4-Q638 PolarHBondContact O-NE2 3.01Å; L633-Q638 HydrophobicContact CB-CB 4.1Å; L633-Q638 HydrophobicContact CD2-CB 4.46Å; L633-Q638 PolarHBondContact N-O 2.6Å; L633-Q638 PolarHBondContact O-N 2.8Å; L633-Q638 VanDerWaalsContact O-N 3.08Å; S634-Q638 WeakPolarHBondContact OG-CB 3.5Å; S634-Q638 WeakPolarHBondContact OG-CG 3.33Å; S634-Q638 PolarHBondContact OG-N 2.8Å; S634-Q638 PolarHBondContact OG-OE1 3.44Å; Q638-L650 HydrophobicContact CB-CD1 3.94Å; Q638-L650 HydrophobicContact CG-CD1 4.4Å; Q638-W651 CarbonylContact C-O 3.34Å; Q638-W651 WeakPolarHBondContact CA-O 2.87Å; Q638-N652 VanDerWaalsContact CG-OD1 3.23Å; Q638-N652 WeakPolarHBondContact CG-OD1 3.33Å; Q638-N652 PolarHBondContact NE2-OD1 3.12Å |
| 639 | I | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.4 | 174.7 | -63.5 | 153.8 | 0 | 0 | 0 | 108.9 | L598 V606 L608 L620 A630 V631 F632 L650 W651 I653 | L598-I639 HydrophobicContact CD1-CD1 3.7Å; L598-I639 HydrophobicContact CD1-CG1 4.1Å; L598-I639 HydrophobicContact CD1-CG2 4.09Å; L598-I639 HydrophobicContact CD2-CG1 4.34Å; L598-I639 HydrophobicContact CD2-CG2 3.77Å; V606-I639 HydrophobicContact CG1-CG2 4.38Å; L608-I639 HydrophobicContact CD1-CD1 4.17Å; L608-I639 HydrophobicContact CD2-CD1 4.06Å; L608-I639 HydrophobicContact CG-CD1 4.31Å; L620-I639 HydrophobicContact CD1-CD1 3.48Å; L620-I639 VanDerWaalsContact CD1-CD1 3.48Å; A630-I639 HydrophobicContact CB-CG2 4.4Å; V631-I639 WeakPolarHBondContact O-CA 3.12Å; F632-I639 HydrophobicContact CD1-CG1 3.94Å; F632-I639 HydrophobicContact CE1-CD1 4.48Å; F632-I639 HydrophobicContact CE1-CG1 4.09Å; I639-L650 CarbonylContact O-C 3.59Å; I639-L650 WeakPolarHBondContact O-CA 3.42Å; I639-W651 HydrophobicContact CB-CB 4.19Å; I639-W651 PolarHBondContact N-O 3.46Å; I639-W651 PolarHBondContact O-N 3.38Å; I639-I653 HydrophobicContact CD1-CD1 3.54Å; I639-I653 HydrophobicContact CD1-CG1 3.65Å; I639-I653 HydrophobicContact CG1-CD1 3.57Å; I639-I653 HydrophobicContact CG1-CG1 4.06Å |
| 640 | L | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.1 | 164.1 | -72.7 | 169.8 | 0 | 0 | 0 | 109.5 | A630 V631 L633 I648 R649 L650 L690 I692 F699 | A630-L640 CarbonylContact C-O 3.49Å; A630-L640 WeakPolarHBondContact CA-O 3.48Å; V631-L640 PolarHBondContact N-O 2.9Å; V631-L640 PolarHBondContact O-N 3.11Å; L633-L640 HydrophobicContact CD2-CD1 4.27Å; L633-L640 HydrophobicContact CD2-CG 4.46Å; L640-I648 HydrophobicContact CD2-CG2 4.07Å; L640-R649 WeakPolarHBondContact CA-O 3.45Å; L640-L650 HydrophobicContact CD2-CB 4.04Å; L640-L650 HydrophobicContact CD2-CD1 3.67Å; L640-L650 HydrophobicContact CD2-CG 4.46Å; L640-L650 HydrophobicContact CG-CD1 4.07Å; L640-L690 HydrophobicContact CB-CD1 4.11Å; L640-L690 HydrophobicContact CD1-CD1 4.44Å; L640-I692 HydrophobicContact CD1-CD1 4.06Å; L640-I692 HydrophobicContact CD1-CG1 4.32Å; L640-F699 HydrophobicContact CD1-CD1 3.61Å; L640-F699 HydrophobicContact CD1-CE1 3.86Å; L640-F699 HydrophobicContact CD1-CG 4.02Å; L640-F699 HydrophobicContact CD1-CZ 4.47Å; L640-F699 HydrophobicContact CD2-CE1 4.09Å; L640-F699 HydrophobicContact CD2-CZ 4.3Å |
| 641 | S | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.7 | 179.4 | 56.2 | 0 | 0 | 0 | 0 | 110.8 | H623 K629 I648 R649 W651 | H623-S641 PolarHBondContact NE2-OG 2.89Å; K629-S641 WeakPolarHBondContact O-CA 3.49Å; S641-I648 CarbonylContact O-C 3.56Å; S641-I648 VanDerWaalsContact O-CA 3.29Å; S641-I648 WeakPolarHBondContact O-CA 3.35Å; S641-R649 PolarHBondContact N-O 3.39Å; S641-R649 PolarHBondContact O-N 3.24Å; S641-R649 PolarHBondContact OG-O 3.16Å; S641-W651 PolarHBondContact OG-NE1 3Å |
| 642 | C | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 132.9 | -171.7 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | V627 Y628 K629 I687 L690 | V627-C642 CarbonylContact C-O 3.59Å; V627-C642 WeakPolarHBondContact CA-O 3.45Å; V627-C642 VanDerWaalsContact CG1-O 3.23Å; V627-C642 WeakPolarHBondContact CG1-O 3.29Å; Y628-C642 PolarHBondContact N-O 3.02Å; K629-C642 HydrophobicContact CB-CB 4.43Å; K629-C642 PolarHBondContact O-N 3.06Å; C642-I687 HydrophobicContact CB-CB 3.82Å; C642-I687 HydrophobicContact CB-CD1 4.36Å; C642-I687 HydrophobicContact CB-CG2 3.61Å; C642-L690 WeakPolarHBondContact SG-CD1 3.4Å |
| 643 | D | 93.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -178.6 | -172.4 | 83.2 | -1.9 | 0 | 0 | 0 | 114.7 | H623 Q625 P626 K645 G646 L647 I687 | H623-D643 IonicContact ND1-OD2 3.65Å; Q625-D643 HydrophobicContact CB-CB 4.48Å; P626-D643 CarbonylContact O-C 3.59Å; P626-D643 WeakPolarHBondContact O-CA 3.21Å; D643-K645 WeakPolarHBondContact OD1-CA 3.41Å; D643-K645 PolarHBondContact OD1-N 3.45Å; D643-G646 PolarHBondContact OD1-N 3.21Å; D643-L647 PolarHBondContact N-O 2.87Å; D643-L647 VanDerWaalsContact N-O 3.09Å; D643-L647 PolarHBondContact OD1-N 3.47Å; D643-L647 WeakPolarHBondContact OD2-CB 3.41Å; D643-I687 PolarHBondContact O-N 3.18Å; D643-I687 VanDerWaalsContact O-N 3.13Å |
| 644 | Q | 94.4 | Very high | 88.6 | Confident | 59 Ų | 59 | 28.2 Ų | 28.2 | 28% | 0.276 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -22.7 | 176.2 | -161.1 | -174.2 | -39.7 | 0 | 0 | 114.3 | Q625 P626 Y628 G685 R686 | Q625-Q644 HydrophobicContact CB-CB 3.89Å; P626-Q644 HydrophobicContact CB-CB 4.47Å; P626-Q644 VanDerWaalsContact CD-OE1 3.23Å; P626-Q644 VanDerWaalsContact CG-OE1 3.24Å; P626-Q644 PolarHBondContact O-N 3.48Å; Y628-Q644 HydrophobicContact CE2-CB 3.71Å; Y628-Q644 HydrophobicContact CE2-CG 3.82Å; Q644-G685 CarbonylContact O-C 3.57Å; Q644-G685 VanDerWaalsContact O-C 3.31Å; Q644-R686 HydrophobicContact CB-CG 4.31Å; Q644-R686 HydrophobicContact CG-CG 3.47Å; Q644-R686 VanDerWaalsContact CG-CG 3.47Å; Q644-R686 WeakPolarHBondContact O-CA 3.06Å; Q644-R686 PolarHBondContact O-N 3.36Å |
| 645 | K | 91.8 | Very high | 87.1 | Confident | 111 Ų | 111 | 37.1 Ų | 37.1 | 48% | 0.483 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -6.7 | -175.5 | -97.7 | 174.3 | -173.8 | -172.5 | 0 | 113.1 | Q625 D643 L647 G685 | Q625-K645 HydrophobicContact CG-CB 4.3Å; Q625-K645 HydrophobicContact CG-CD 3.57Å; Q625-K645 HydrophobicContact CG-CG 3.74Å; D643-K645 WeakPolarHBondContact OD1-CA 3.41Å; D643-K645 PolarHBondContact OD1-N 3.45Å; K645-L647 HydrophobicContact CB-CG 4.4Å; K645-G685 CarbonylContact C-O 3.53Å |
| 646 | G | 91.3 | Very high | 85.3 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 95.2 | 14.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D643 A682 H683 G685 | D643-G646 PolarHBondContact OD1-N 3.21Å; G646-A682 PolarHBondContact O-N 3.34Å; G646-H683 WeakPolarHBondContact CA-O 3.33Å; G646-H683 PolarHBondContact O-N 2.72Å; G646-G685 WeakPolarHBondContact CA-O 3.26Å; G646-G685 PolarHBondContact N-O 2.72Å |
| 647 | L | 93.4 | Very high | 83.1 | Confident | 37 Ų | 37 | 42 Ų | 42 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.9 | 178.8 | -54.6 | 174 | 0 | 0 | 0 | 111.1 | D643 K645 V679 Y680 E681 | D643-L647 PolarHBondContact N-O 2.87Å; D643-L647 VanDerWaalsContact N-O 3.09Å; D643-L647 PolarHBondContact OD1-N 3.47Å; D643-L647 WeakPolarHBondContact OD2-CB 3.41Å; K645-L647 HydrophobicContact CB-CG 4.4Å; L647-V679 HydrophobicContact CB-CG1 4.27Å; L647-V679 HydrophobicContact CD1-CG1 4.44Å; L647-V679 HydrophobicContact CD2-CG1 4.13Å; L647-Y680 WeakPolarHBondContact CA-O 3.43Å; L647-E681 HydrophobicContact CD2-CB 4.49Å; L647-E681 HydrophobicContact CD2-CG 3.63Å |
| 648 | I | 93.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.9 | 172.1 | -53.1 | 176.3 | 0 | 0 | 0 | 107.8 | L640 S641 V679 Y680 A682 I687 F699 T701 F711 | L640-I648 HydrophobicContact CD2-CG2 4.07Å; S641-I648 CarbonylContact O-C 3.56Å; S641-I648 VanDerWaalsContact O-CA 3.29Å; S641-I648 WeakPolarHBondContact O-CA 3.35Å; I648-V679 CarbonylContact O-C 3.46Å; I648-V679 WeakPolarHBondContact O-CA 3.28Å; I648-Y680 PolarHBondContact N-O 3.24Å; I648-Y680 PolarHBondContact O-N 3.26Å; I648-A682 HydrophobicContact CD1-CB 3.48Å; I648-A682 VanDerWaalsContact CD1-CB 3.48Å; I648-A682 HydrophobicContact CG1-CB 3.91Å; I648-I687 HydrophobicContact CD1-CD1 4.23Å; I648-I687 HydrophobicContact CG1-CD1 3.63Å; I648-F699 HydrophobicContact CD1-CE2 3.69Å; I648-F699 HydrophobicContact CD1-CZ 4.33Å; I648-F699 HydrophobicContact CG2-CE2 4.36Å; I648-F699 HydrophobicContact CG2-CZ 4.29Å; I648-T701 HydrophobicContact CD1-CG2 3.37Å; I648-T701 HydrophobicContact CG1-CG2 4.4Å; I648-F711 HydrophobicContact CD1-CD2 4.36Å; I648-F711 HydrophobicContact CD1-CE2 3.78Å; I648-F711 HydrophobicContact CD1-CZ 4.17Å |
| 649 | R | 92 | Very high | 78.2 | Confident | 39 Ų | 39 | 53.5 Ų | 53.5 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.5 | 173.7 | -66.2 | -172.4 | -176.7 | -151.2 | 2.6 | 111.7 | G622 H623 L640 S641 W651 L678 V679 | G622-R649 VanDerWaalsContact CA-NH1 3.28Å; G622-R649 PolarHBondContact O-NH1 3.29Å; G622-R649 PolarHBondContact O-NH2 3.04Å; H623-R649 WeakPolarHBondContact CE1-CD 3.5Å; H623-R649 WeakPolarHBondContact CE1-CG 3.39Å; H623-R649 PolarHBondContact ND1-NE 3.3Å; L640-R649 WeakPolarHBondContact CA-O 3.45Å; S641-R649 PolarHBondContact N-O 3.39Å; S641-R649 PolarHBondContact O-N 3.24Å; S641-R649 PolarHBondContact OG-O 3.16Å; R649-W651 HydrophobicContact CB-CZ2 4.11Å; R649-L678 WeakPolarHBondContact CA-O 3.44Å; R649-V679 HydrophobicContact CG-CG1 4.42Å; R649-V679 HydrophobicContact CG-CG2 4.12Å |
| 650 | L | 91.5 | Very high | 75.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.9 | 168.9 | -179.7 | 67.9 | 0 | 0 | 0 | 109.2 | F7 L633 Q638 I639 L640 S677 L678 Y680 | F7-L650 HydrophobicContact CD2-CD2 4.19Å; F7-L650 HydrophobicContact CE2-CD1 4.45Å; F7-L650 HydrophobicContact CE2-CD2 4.1Å; L633-L650 HydrophobicContact CD2-CD1 3.95Å; Q638-L650 HydrophobicContact CB-CD1 3.94Å; Q638-L650 HydrophobicContact CG-CD1 4.4Å; I639-L650 CarbonylContact O-C 3.59Å; I639-L650 WeakPolarHBondContact O-CA 3.42Å; L640-L650 HydrophobicContact CD2-CB 4.04Å; L640-L650 HydrophobicContact CD2-CD1 3.67Å; L640-L650 HydrophobicContact CD2-CG 4.46Å; L640-L650 HydrophobicContact CG-CD1 4.07Å; L650-S677 VanDerWaalsContact O-CA 3.26Å; L650-S677 WeakPolarHBondContact O-CA 3.27Å; L650-L678 HydrophobicContact CB-CB 4.4Å; L650-L678 HydrophobicContact CD2-CD1 4.37Å; L650-L678 PolarHBondContact N-O 3.38Å; L650-L678 PolarHBondContact O-N 3.36Å; L650-L678 VanDerWaalsContact O-N 3.15Å; L650-Y680 HydrophobicContact CB-CE2 4.13Å |
| 651 | W | 89.7 | Confident | 72.4 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.015 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.4 | 178.8 | -52.2 | 88.9 | 0 | 0 | 0 | 110.5 | L620 E621 H623 Q638 I639 S641 R649 | L620-W651 HydrophobicContact CB-CD2 4.09Å; L620-W651 HydrophobicContact CB-CE3 3.99Å; L620-W651 HydrophobicContact CB-CH2 4.3Å; L620-W651 HydrophobicContact CB-CZ2 4.4Å; L620-W651 HydrophobicContact CB-CZ3 4.1Å; L620-W651 HydrophobicContact CD1-CB 4.01Å; L620-W651 HydrophobicContact CD1-CD2 4.08Å; L620-W651 HydrophobicContact CD1-CE3 4.47Å; L620-W651 HydrophobicContact CD1-CG 3.87Å; L620-W651 HydrophobicContact CD2-CD2 4.49Å; L620-W651 HydrophobicContact CD2-CE3 4.06Å; L620-W651 HydrophobicContact CG-CD2 4.45Å; L620-W651 HydrophobicContact CG-CE3 4.4Å; E621-W651 WeakPolarHBondContact O-CH2 3.32Å; H623-W651 AromaticContact CD2-CZ2 3.83Å; Q638-W651 CarbonylContact C-O 3.34Å; Q638-W651 WeakPolarHBondContact CA-O 2.87Å; I639-W651 HydrophobicContact CB-CB 4.19Å; I639-W651 PolarHBondContact N-O 3.46Å; I639-W651 PolarHBondContact O-N 3.38Å; S641-W651 PolarHBondContact OG-NE1 3Å; R649-W651 HydrophobicContact CB-CZ2 4.11Å |
| 652 | N | 85.2 | Confident | 69.4 | Low | 55 Ų | 55 | 77.8 Ų | 77.8 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.8 | 167.5 | -78.3 | -53.4 | 0 | 0 | 0 | 110.5 | Q638 | Q638-N652 VanDerWaalsContact CG-OD1 3.23Å; Q638-N652 WeakPolarHBondContact CG-OD1 3.33Å; Q638-N652 PolarHBondContact NE2-OD1 3.12Å |
| 653 | I | 79.1 | Confident | 66.2 | Low | 35 Ų | 35 | 87.1 Ų | 87.1 | 18% | 0.179 | 43% | 0.432 | C | S | . | . | trans | -84.4 | -26.4 | 175.3 | -58.6 | 160.6 | 0 | 0 | 0 | 111 | L608 R618 F632 D636 K637 I639 K655 | L608-I653 HydrophobicContact CD1-CD1 4.34Å; L608-I653 HydrophobicContact CD1-CG1 4.23Å; L608-I653 HydrophobicContact CD1-CG2 4.24Å; R618-I653 PolarHBondContact NH1-O 3.31Å; F632-I653 HydrophobicContact CD1-CD1 4.18Å; F632-I653 HydrophobicContact CE1-CD1 4.01Å; D636-I653 WeakPolarHBondContact O-CD1 3.37Å; K637-I653 WeakPolarHBondContact O-CB 3.2Å; K637-I653 PolarHBondContact O-N 3.21Å; I639-I653 HydrophobicContact CD1-CD1 3.54Å; I639-I653 HydrophobicContact CD1-CG1 3.65Å; I639-I653 HydrophobicContact CG1-CD1 3.57Å; I639-I653 HydrophobicContact CG1-CG1 4.06Å; I653-K655 PolarHBondContact O-N 3.22Å | ||
| 654 | S | 68.8 | Low | 63.1 | Low | 64 Ų | 64 | 90.5 Ų | 90.5 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -48.4 | 136.1 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 655 | K | 54.5 | Low | 60 | Low | 186 Ų | 186 | 96.6 Ų | 96.6 | 81% | 0.809 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -46.6 | 145.4 | -174.1 | -69.8 | 178.6 | -179.8 | 176.9 | 0 | 111.1 | I653 | I653-K655 PolarHBondContact O-N 3.22Š|
| 656 | P | 42.1 | Very low | 57.3 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 144.2 | 179.1 | 23.7 | -34 | 0 | 0 | 0 | 109.4 | K658 | P656-K658 PolarHBondContact O-N 3.45Š|
| 657 | P | 36.3 | Very low | 54.4 | Low | 104 Ų | 104 | 106.6 Ų | 106.6 | 68% | 0.675 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -49 | 131.5 | -179.9 | 21.7 | -32.2 | 0 | 0 | 0 | 108.2 | N659 | P657-N659 PolarHBondContact O-N 3.18Š|
| 658 | K | 34.4 | Very low | 51.3 | Low | 203 Ų | 203 | 110.4 Ų | 110.4 | 88% | 0.883 | 58% | 0.577 | S | S | * | * | trans | -60.3 | 91.7 | 166.5 | -73.6 | -178.7 | 176.9 | -179.9 | 0 | 105.9 | P656 N660 | P656-K658 PolarHBondContact O-N 3.45Å; K658-N660 PolarHBondContact O-N 3.17Å; K658-N660 VanDerWaalsContact O-N 3.13Å | ||
| 659 | N | 35.6 | Very low | 48.1 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | trans | -56.8 | 122.4 | 163.3 | -82.1 | -7.5 | 0 | 0 | 0 | 105.8 | P657 Q661 | P657-N659 PolarHBondContact O-N 3.18Å; N659-Q661 PolarHBondContact O-N 3.04Å; N659-Q661 VanDerWaalsContact O-N 3.12Å | ||
| 660 | N | 33.4 | Very low | 45.2 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | trans | -36.5 | 116.9 | -179 | -67 | -34.3 | 0 | 0 | 0 | 110.4 | K658 E662 | K658-N660 PolarHBondContact O-N 3.17Å; K658-N660 VanDerWaalsContact O-N 3.13Å; N660-E662 PolarHBondContact O-N 3.42Å | ||
| 661 | Q | 31.4 | Very low | 42.3 | Very low | 200 Ų | 200 | 127.8 Ų | 127.8 | 94% | 0.935 | 68% | 0.678 | S | S | * | * | trans | -67.8 | 71.4 | 166.5 | -74.8 | -179.8 | -27.8 | 0 | 0 | 108.7 | N659 | N659-Q661 PolarHBondContact O-N 3.04Å; N659-Q661 VanDerWaalsContact O-N 3.12Å | ||
| 662 | E | 30.8 | Very low | 40 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | trans | -142.4 | 110.9 | 157.4 | -75.7 | -159.8 | 176.1 | 0 | 0 | 110 | N660 | N660-E662 PolarHBondContact O-N 3.42Š| ||
| 663 | K | 27.9 | Very low | 37.8 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | 78.5 | 112.1 | 156.7 | -58.4 | 174.4 | -177.7 | 170.6 | 0 | 118.2 | ||||
| 664 | G | 28.3 | Very low | 35.8 | Very low | 72 Ų | 72 | 145.4 Ų | 145.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 108.8 | 92.8 | 130.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | N666 | G664-N666 PolarHBondContact O-N 3.24Š| ||
| 665 | E | 29.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | 17.8 | 99.7 | 138.1 | -63.1 | 179.4 | 159.5 | 0 | 0 | 117.9 | ||||
| 666 | N | 34.6 | Very low | 34.9 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | 179.3 | 110.4 | 124.3 | -90.7 | -39.2 | 0 | 0 | 0 | 108.3 | G664 V668 | G664-N666 PolarHBondContact O-N 3.24Å; N666-V668 PolarHBondContact O-N 3.22Å | |||
| 667 | I | 30 | Very low | 36.3 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 88% | 0.882 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 82.1 | 179.8 | -58.4 | 170.1 | 0 | 0 | 0 | 108.1 | ||||
| 668 | V | 27.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | -78.7 | 118 | 157.6 | -179.6 | 0 | 0 | 0 | 0 | 105.7 | N666 | N666-V668 PolarHBondContact O-N 3.22Š| ||
| 669 | K | 27.2 | Very low | 41 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -51.2 | 127 | 170 | -68.1 | 176.3 | 178.7 | 177.5 | 0 | 107.4 | S671 | K669-S671 PolarHBondContact O-N 2.86Š| ||
| 670 | P | 30.3 | Very low | 43.5 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | trans | -59.4 | 113.6 | -173.9 | 22.9 | -31.9 | 0 | 0 | 0 | 108.9 | ||||
| 671 | S | 30.9 | Very low | 46.1 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | -57.2 | 136.4 | 165.9 | 40.7 | 0 | 0 | 0 | 0 | 108.2 | K669 E673 | K669-S671 PolarHBondContact O-N 2.86Å; S671-E673 PolarHBondContact O-N 2.58Å | ||
| 672 | S | 41.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 85% | 0.853 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 30.2 | -164.1 | 46.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 673 | E | 38.4 | Very low | 51.7 | Low | 176 Ų | 176 | 110.4 Ų | 110.4 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 7.1 | -171.8 | -71.4 | -169.9 | 162.6 | 0 | 0 | 115.9 | S671 | S671-E673 PolarHBondContact O-N 2.58Š|
| 674 | E | 38.9 | Very low | 54.6 | Low | 166 Ų | 166 | 108 Ų | 108 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | trans | -111.4 | 18.8 | -177.1 | -71.4 | -171 | 169.7 | 0 | 0 | 116 | S676 | E674-S676 PolarHBondContact O-N 3.03Š| ||
| 675 | N | 49 | Very low | 57.5 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -73.8 | 109.9 | 158.6 | -75.1 | -24.5 | 0 | 0 | 0 | 106.6 | S677 | N675-S677 PolarHBondContact O-N 3.5Š|
| 676 | S | 55.1 | Low | 60.6 | Low | 82 Ų | 82 | 100.3 Ų | 100.3 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | trans | -66.1 | 71.6 | 177.9 | 53.1 | 0 | 0 | 0 | 0 | 111.4 | E674 | E674-S676 PolarHBondContact O-N 3.03Š| ||
| 677 | S | 70.4 | Confident | 63.4 | Low | 31 Ų | 31 | 93.1 Ų | 93.1 | 22% | 0.217 | 51% | 0.507 | C | S | . | . | trans | -93.4 | 119.5 | 173.1 | 65.1 | 0 | 0 | 0 | 0 | 109 | L650 N675 | L650-S677 VanDerWaalsContact O-CA 3.26Å; L650-S677 WeakPolarHBondContact O-CA 3.27Å; N675-S677 PolarHBondContact O-N 3.5Å | ||
| 678 | L | 82.9 | Confident | 66.4 | Low | 67 Ų | 67 | 87.4 Ų | 87.4 | 35% | 0.351 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.8 | 171.1 | -70 | 161 | 0 | 0 | 0 | 108.6 | L5 R649 L650 Y680 | L5-L678 WeakPolarHBondContact O-CD1 3.38Å; R649-L678 WeakPolarHBondContact CA-O 3.44Å; L650-L678 HydrophobicContact CB-CB 4.4Å; L650-L678 HydrophobicContact CD2-CD1 4.37Å; L650-L678 PolarHBondContact N-O 3.38Å; L650-L678 PolarHBondContact O-N 3.36Å; L650-L678 VanDerWaalsContact O-N 3.15Å; L678-Y680 HydrophobicContact CB-CE2 4.16Å |
| 679 | V | 87.8 | Confident | 69.5 | Low | 72 Ų | 72 | 81.8 Ų | 81.8 | 44% | 0.436 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.6 | -179.3 | -171 | 0 | 0 | 0 | 0 | 108.8 | L647 I648 R649 | L647-V679 HydrophobicContact CB-CG1 4.27Å; L647-V679 HydrophobicContact CD1-CG1 4.44Å; L647-V679 HydrophobicContact CD2-CG1 4.13Å; I648-V679 CarbonylContact O-C 3.46Å; I648-V679 WeakPolarHBondContact O-CA 3.28Å; R649-V679 HydrophobicContact CG-CG1 4.42Å; R649-V679 HydrophobicContact CG-CG2 4.12Å |
| 680 | Y | 88.5 | Confident | 72.7 | Confident | 22 Ų | 22 | 73.7 Ų | 73.7 | 9% | 0.086 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.2 | 175.1 | -53.3 | -74.4 | 0 | 0 | 0 | 109.5 | K6 F7 L647 I648 L650 L678 F711 | K6-Y680 WeakPolarHBondContact CA-OH 3.28Å; K6-Y680 HydrophobicContact CG-CE1 4.24Å; F7-Y680 HydrophobicContact CB-CE1 4.33Å; F7-Y680 HydrophobicContact CB-CE2 4.32Å; F7-Y680 HydrophobicContact CD2-CE2 4.45Å; F7-Y680 PolarHBondContact N-OH 3.43Å; F7-Y680 WeakPolarHBondContact O-CE1 3.28Å; L647-Y680 WeakPolarHBondContact CA-O 3.43Å; I648-Y680 PolarHBondContact N-O 3.24Å; I648-Y680 PolarHBondContact O-N 3.26Å; L650-Y680 HydrophobicContact CB-CE2 4.13Å; L678-Y680 HydrophobicContact CB-CE2 4.16Å; Y680-F711 HydrophobicContact CG-CE1 4.37Å |
| 681 | E | 87.5 | Confident | 75.6 | Confident | 165 Ų | 165 | 68.2 Ų | 68.2 | 77% | 0.771 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121 | 168.1 | -69.2 | 175.9 | -178.2 | 0 | 0 | 108.4 | L647 | L647-E681 HydrophobicContact CD2-CB 4.49Å; L647-E681 HydrophobicContact CD2-CG 3.63Å |
| 682 | A | 87.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 5% | 0.05 | 35% | 0.348 | C | S | . | . | trans | -115.6 | -45.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K12 G646 I648 I687 C709 F711 | K12-A682 PolarHBondContact NZ-O 3.1Å; G646-A682 PolarHBondContact O-N 3.34Å; I648-A682 HydrophobicContact CD1-CB 3.48Å; I648-A682 VanDerWaalsContact CD1-CB 3.48Å; I648-A682 HydrophobicContact CG1-CB 3.91Å; A682-I687 HydrophobicContact CB-CD1 4.09Å; A682-C709 PolarHBondContact O-SG 3.43Å; A682-F711 HydrophobicContact CB-CE2 3.71Å; A682-F711 HydrophobicContact CB-CZ 3.64Å | ||
| 683 | H | 91.5 | Very high | 80.7 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.065 | 31% | 0.307 | C | S | . | . | trans | -133.4 | 158.6 | -171.4 | -65.8 | -85.5 | 0 | 0 | 0 | 111 | G646 G685 I687 T701 D705 T707 C709 | G646-H683 WeakPolarHBondContact CA-O 3.33Å; G646-H683 PolarHBondContact O-N 2.72Å; H683-G685 PolarHBondContact O-N 3.14Å; H683-I687 HydrophobicContact CB-CG1 4.15Å; H683-T701 PolarHBondContact CD2-OG1 2.72Å; H683-T701 WeakPolarHBondContact NE2-CB 3.13Å; H683-T701 PolarHBondContact NE2-O 3.01Å; H683-T701 PolarHBondContact NE2-OG1 3.17Å; H683-D705 WeakPolarHBondContact CA-OD2 3.45Å; H683-D705 IonicContact CE1-OD1 2.68Å; H683-D705 IonicContact CG-OD1 3.33Å; H683-D705 IonicContact CG-OD2 3.16Å; H683-D705 IonicContact ND1-OD1 3.47Å; H683-D705 PolarHBondContact ND1-OD1 3.11Å; H683-D705 IonicContact ND1-OD2 3.01Å; H683-D705 PolarHBondContact ND1-OD2 3.29Å; H683-T707 PolarHBondContact CE1-O 2.74Å; H683-T707 PolarHBondContact CE1-OG1 2.69Å; H683-T707 VanDerWaalsContact CE1-OG1 3.29Å; H683-T707 PolarHBondContact ND1-OG1 3.48Å; H683-C709 VanDerWaalsContact CE1-SG 3.58Å | ||
| 684 | D | 88.3 | Confident | 82.8 | Confident | 146 Ų | 146 | 54.7 Ų | 54.7 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -97.6 | 70.4 | 169.2 | -171.1 | 24.2 | 0 | 0 | 0 | 109.8 | D705 | D684-D705 PolarHBondContact N-OD2 3.18Å; D684-D705 VanDerWaalsContact N-OD2 3.1Å |
| 685 | G | 89.8 | Confident | 84.7 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 145.2 | -167.1 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q644 K645 G646 H683 | Q644-G685 CarbonylContact O-C 3.57Å; Q644-G685 VanDerWaalsContact O-C 3.31Å; K645-G685 CarbonylContact C-O 3.53Å; G646-G685 WeakPolarHBondContact CA-O 3.26Å; G646-G685 PolarHBondContact N-O 2.72Å; H683-G685 PolarHBondContact O-N 3.14Å |
| 686 | R | 94.3 | Very high | 86.4 | Confident | 80 Ų | 80 | 45.9 Ų | 45.9 | 30% | 0.302 | 25% | 0.248 | S | C | . | . | trans | -67.8 | 135.1 | -172.8 | -62.9 | 174.1 | -149 | -174.5 | 5.5 | 111.8 | Y628 Q644 W688 G703 E704 | Y628-R686 HydrophobicContact CE2-CB 4.2Å; Y628-R686 HydrophobicContact CE2-CG 4.02Å; Q644-R686 HydrophobicContact CB-CG 4.31Å; Q644-R686 HydrophobicContact CG-CG 3.47Å; Q644-R686 VanDerWaalsContact CG-CG 3.47Å; Q644-R686 WeakPolarHBondContact O-CA 3.06Å; Q644-R686 PolarHBondContact O-N 3.36Å; R686-W688 HydrophobicContact CB-CD2 4.49Å; R686-W688 HydrophobicContact CB-CZ2 4.2Å; R686-W688 VanDerWaalsContact CD-CZ2 3.43Å; R686-W688 HydrophobicContact CG-CZ2 4.45Å; R686-G703 CarbonylContact O-C 3.35Å; R686-G703 VanDerWaalsContact O-CA 3.25Å; R686-G703 WeakPolarHBondContact O-CA 3.21Å; R686-E704 HydrophobicContact CB-CB 4.09Å; R686-E704 WeakPolarHBondContact CB-OE2 3.3Å; R686-E704 WeakPolarHBondContact CD-OE2 3.2Å; R686-E704 WeakPolarHBondContact CG-OE2 3.5Å; R686-E704 IonicContact CZ-OE1 2.9Å; R686-E704 IonicContact CZ-OE2 3.76Å; R686-E704 PolarHBondContact N-OE2 2.86Å; R686-E704 IonicContact NE-OE1 3.29Å; R686-E704 IonicContact NE-OE2 3.43Å; R686-E704 PolarHBondContact NE-OE2 3.23Å; R686-E704 PolarHBondContact O-N 3Å | ||
| 687 | I | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 107.2 | 168.5 | -57.8 | 172.4 | 0 | 0 | 0 | 108.2 | C642 D643 I648 A682 H683 S689 T701 | C642-I687 HydrophobicContact CB-CB 3.82Å; C642-I687 HydrophobicContact CB-CD1 4.36Å; C642-I687 HydrophobicContact CB-CG2 3.61Å; D643-I687 PolarHBondContact O-N 3.18Å; D643-I687 VanDerWaalsContact O-N 3.13Å; I648-I687 HydrophobicContact CD1-CD1 4.23Å; I648-I687 HydrophobicContact CG1-CD1 3.63Å; A682-I687 HydrophobicContact CB-CD1 4.09Å; H683-I687 HydrophobicContact CB-CG1 4.15Å; I687-S689 WeakPolarHBondContact CG2-O 3.48Å; I687-T701 HydrophobicContact CG2-CG2 4.33Å |
| 688 | W | 92.8 | Very high | 88.6 | Confident | 52 Ų | 52 | 42 Ų | 42 | 20% | 0.197 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -33.9 | 179.4 | -62.7 | 105.6 | 0 | 0 | 0 | 112.1 | Q362 Y628 R686 G702 | Q362-W688 VanDerWaalsContact NE2-CE2 3.31Å; Y628-W688 HydrophobicContact CD1-CE3 4.16Å; Y628-W688 AromaticContact CD1-CZ3 3.82Å; Y628-W688 HydrophobicContact CD1-CZ3 3.82Å; Y628-W688 HydrophobicContact CE1-CE3 4.48Å; Y628-W688 HydrophobicContact CE1-CH2 4.2Å; Y628-W688 AromaticContact CE1-CZ3 3.75Å; Y628-W688 HydrophobicContact CE1-CZ3 3.75Å; Y628-W688 HydrophobicContact CG-CE3 4.28Å; Y628-W688 HydrophobicContact CG-CZ3 4.33Å; R686-W688 HydrophobicContact CB-CD2 4.49Å; R686-W688 HydrophobicContact CB-CZ2 4.2Å; R686-W688 VanDerWaalsContact CD-CZ2 3.43Å; R686-W688 HydrophobicContact CG-CZ2 4.45Å; W688-G702 PolarHBondContact N-O 2.75Å |
| 689 | S | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.6 | -168.9 | 62.3 | 0 | 0 | 0 | 0 | 113 | L366 I687 T701 G702 | L366-S689 WeakPolarHBondContact CD1-OG 3.49Å; L366-S689 WeakPolarHBondContact CG-OG 3.44Å; I687-S689 WeakPolarHBondContact CG2-O 3.48Å; S689-T701 WeakPolarHBondContact O-CA 3.35Å; S689-G702 PolarHBondContact O-N 3.44Å; S689-G702 VanDerWaalsContact O-N 3.1Å |
| 690 | L | 93.7 | Very high | 89.3 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 131.2 | 175.8 | 174.8 | 143.5 | 0 | 0 | 0 | 108.3 | K629 V631 L640 C642 I692 F699 F700 T701 | K629-L690 HydrophobicContact CG-CB 4.34Å; V631-L690 HydrophobicContact CB-CD2 3.99Å; V631-L690 HydrophobicContact CG2-CD2 3.66Å; L640-L690 HydrophobicContact CB-CD1 4.11Å; L640-L690 HydrophobicContact CD1-CD1 4.44Å; C642-L690 WeakPolarHBondContact SG-CD1 3.4Å; L690-I692 HydrophobicContact CD2-CD1 4.14Å; L690-I692 HydrophobicContact CD2-CG1 3.68Å; L690-F699 HydrophobicContact CD1-CD2 4.14Å; L690-F699 HydrophobicContact CD1-CE2 4.48Å; L690-F700 WeakPolarHBondContact CA-O 3.46Å; L690-T701 HydrophobicContact CB-CG2 4.28Å; L690-T701 HydrophobicContact CD1-CG2 3.93Å; L690-T701 HydrophobicContact CG-CG2 4.23Å |
| 691 | A | 92.1 | Very high | 89.6 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 8% | 0.083 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 119.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | L366 I368 F699 F700 | L366-A691 HydrophobicContact CB-CB 4.16Å; I368-A691 HydrophobicContact CD1-CB 4.32Å; I368-A691 HydrophobicContact CG1-CB 4.2Å; A691-F699 CarbonylContact O-C 3.57Å; A691-F699 WeakPolarHBondContact O-CA 3.35Å; A691-F699 WeakPolarHBondContact O-CB 3.1Å; A691-F700 PolarHBondContact N-O 3.42Å; A691-F700 PolarHBondContact O-N 3.03Å |
| 692 | I | 91.2 | Very high | 89.9 | Confident | 37 Ų | 37 | 26.5 Ų | 26.5 | 19% | 0.19 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.7 | -179.1 | -55.7 | 178 | 0 | 0 | 0 | 109.3 | V631 L633 L640 L690 F699 | V631-I692 HydrophobicContact CB-CD1 3.87Å; V631-I692 HydrophobicContact CG1-CD1 3.48Å; V631-I692 VanDerWaalsContact CG1-CD1 3.48Å; V631-I692 HydrophobicContact CG1-CG1 4.35Å; L633-I692 HydrophobicContact CD1-CD1 4.24Å; L633-I692 HydrophobicContact CD1-CG2 3.83Å; L640-I692 HydrophobicContact CD1-CD1 4.06Å; L640-I692 HydrophobicContact CD1-CG1 4.32Å; L690-I692 HydrophobicContact CD2-CD1 4.14Å; L690-I692 HydrophobicContact CD2-CG1 3.68Å; I692-F699 HydrophobicContact CB-CB 4.46Å; I692-F699 HydrophobicContact CG1-CB 4.2Å |
| 693 | C | 87.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | trans | -61.8 | 138.1 | 173.1 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | L394 D695 E696 G698 | L394-C693 HydrophobicContact CD2-CB 4.16Å; L394-C693 VanDerWaalsContact CD2-SG 3.59Å; C693-D695 WeakPolarHBondContact CB-OD1 3.47Å; C693-D695 PolarHBondContact O-N 3.32Å; C693-D695 VanDerWaalsContact O-N 3.11Å; C693-E696 WeakPolarHBondContact O-CA 3.47Å; C693-E696 PolarHBondContact O-N 3.31Å; C693-G698 WeakPolarHBondContact CB-O 3.24Å; C693-G698 PolarHBondContact N-O 2.82Å; C693-G698 PolarHBondContact SG-O 3.01Å; C693-G698 VanDerWaalsContact SG-O 3.34Å | ||
| 694 | P | 82.2 | Confident | 90.1 | Very high | 73 Ų | 73 | 28.9 Ų | 28.9 | 47% | 0.474 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.1 | -177.4 | -21.1 | 28.3 | 0 | 0 | 0 | 114.9 | H373 E696 | H373-P694 HydrophobicContact CB-CG 3.6Å; H373-P694 WeakPolarHBondContact CD2-CG 3.4Å; P694-E696 VanDerWaalsContact C-N 3.32Å |
| 695 | D | 80.5 | Confident | 90.1 | Very high | 50 Ų | 50 | 23.6 Ų | 23.6 | 27% | 0.267 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.4 | 175.9 | 66.9 | -15.4 | 0 | 0 | 0 | 113.4 | M1 K399 C693 S697 | M1-D695 WeakPolarHBondContact CE-O 2.99Å; K399-D695 IonicContact NZ-OD2 3.82Å; K399-D695 PolarHBondContact NZ-OD2 3.29Å; C693-D695 WeakPolarHBondContact CB-OD1 3.47Å; C693-D695 PolarHBondContact O-N 3.32Å; C693-D695 VanDerWaalsContact O-N 3.11Å; D695-S697 PolarHBondContact O-N 2.92Å; D695-S697 VanDerWaalsContact O-N 3.1Å; D695-S697 VanDerWaalsContact OD1-CB 3.31Å; D695-S697 WeakPolarHBondContact OD1-CB 3.45Å; D695-S697 PolarHBondContact OD1-N 3.13Å; D695-S697 PolarHBondContact OD1-OG 2.89Å; D695-S697 VanDerWaalsContact OD2-CB 3.28Å; D695-S697 WeakPolarHBondContact OD2-CB 3.48Å; D695-S697 PolarHBondContact OD2-OG 3.38Å; D695-S697 VanDerWaalsContact OD2-OG 3.09Å |
| 696 | E | 83 | Confident | 90.1 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 53.5 | 26.4 | -175.1 | -53.2 | -175.7 | 159.7 | 0 | 0 | 113.3 | M1 K4 L633 S634 C693 P694 G698 | M1-E696 HydrophobicContact CE-CB 4.09Å; M1-E696 HydrophobicContact CE-CG 3.92Å; M1-E696 HydrophobicContact SD-CB 4.08Å; M1-E696 HydrophobicContact SD-CG 4.35Å; K4-E696 WeakPolarHBondContact CE-O 3.44Å; K4-E696 PolarHBondContact NZ-O 3.39Å; L633-E696 HydrophobicContact CD1-CB 4.15Å; L633-E696 HydrophobicContact CD1-CG 3.97Å; S634-E696 WeakPolarHBondContact CA-OE1 3.41Å; S634-E696 WeakPolarHBondContact CA-OE2 3.38Å; S634-E696 PolarHBondContact N-OE1 3.04Å; S634-E696 PolarHBondContact N-OE2 3.26Å; C693-E696 WeakPolarHBondContact O-CA 3.47Å; C693-E696 PolarHBondContact O-N 3.31Å; P694-E696 VanDerWaalsContact C-N 3.32Å; E696-G698 PolarHBondContact O-N 3.42Å |
| 697 | S | 83.5 | Confident | 89.9 | Confident | 31 Ų | 31 | 22.2 Ų | 22.2 | 22% | 0.217 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -68.7 | -21.9 | 173.1 | 57.8 | 0 | 0 | 0 | 0 | 112.6 | D695 D713 | D695-S697 PolarHBondContact O-N 2.92Å; D695-S697 VanDerWaalsContact O-N 3.1Å; D695-S697 VanDerWaalsContact OD1-CB 3.31Å; D695-S697 WeakPolarHBondContact OD1-CB 3.45Å; D695-S697 PolarHBondContact OD1-N 3.13Å; D695-S697 PolarHBondContact OD1-OG 2.89Å; D695-S697 VanDerWaalsContact OD2-CB 3.28Å; D695-S697 WeakPolarHBondContact OD2-CB 3.48Å; D695-S697 PolarHBondContact OD2-OG 3.38Å; D695-S697 VanDerWaalsContact OD2-OG 3.09Å; S697-D713 WeakPolarHBondContact O-CB 3.23Å; S697-D713 PolarHBondContact O-N 3.11Å |
| 698 | G | 88.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -174.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C693 E696 F711 | C693-G698 WeakPolarHBondContact CB-O 3.24Å; C693-G698 PolarHBondContact N-O 2.82Å; C693-G698 PolarHBondContact SG-O 3.01Å; C693-G698 VanDerWaalsContact SG-O 3.34Å; E696-G698 PolarHBondContact O-N 3.42Å; G698-F711 CarbonylContact C-O 3.6Å; G698-F711 WeakPolarHBondContact CA-O 3.48Å |
| 699 | F | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 157.1 | 174.4 | 61.8 | -94.5 | 0 | 0 | 0 | 111 | F7 L640 I648 L690 A691 I692 T701 F711 | F7-F699 HydrophobicContact CB-CE1 4.07Å; F7-F699 AromaticContact CD1-CD1 4Å; F7-F699 HydrophobicContact CD1-CD1 4Å; F7-F699 AromaticContact CD1-CE1 3.68Å; F7-F699 HydrophobicContact CD1-CE1 3.68Å; F7-F699 AromaticContact CD2-CE1 3.79Å; F7-F699 HydrophobicContact CD2-CE1 3.79Å; F7-F699 AromaticContact CE1-CD1 3.97Å; F7-F699 HydrophobicContact CE1-CD1 3.97Å; F7-F699 HydrophobicContact CE1-CE1 4.02Å; F7-F699 HydrophobicContact CE2-CE1 4.12Å; F7-F699 HydrophobicContact CG-CD1 4.32Å; F7-F699 AromaticContact CG-CE1 3.56Å; F7-F699 HydrophobicContact CG-CE1 3.56Å; F7-F699 HydrophobicContact CG-CZ 4.43Å; F7-F699 HydrophobicContact CZ-CD1 4.26Å; F7-F699 HydrophobicContact CZ-CE1 4.23Å; L640-F699 HydrophobicContact CD1-CD1 3.61Å; L640-F699 HydrophobicContact CD1-CE1 3.86Å; L640-F699 HydrophobicContact CD1-CG 4.02Å; L640-F699 HydrophobicContact CD1-CZ 4.47Å; L640-F699 HydrophobicContact CD2-CE1 4.09Å; L640-F699 HydrophobicContact CD2-CZ 4.3Å; I648-F699 HydrophobicContact CD1-CE2 3.69Å; I648-F699 HydrophobicContact CD1-CZ 4.33Å; I648-F699 HydrophobicContact CG2-CE2 4.36Å; I648-F699 HydrophobicContact CG2-CZ 4.29Å; L690-F699 HydrophobicContact CD1-CD2 4.14Å; L690-F699 HydrophobicContact CD1-CE2 4.48Å; A691-F699 CarbonylContact O-C 3.57Å; A691-F699 WeakPolarHBondContact O-CA 3.35Å; A691-F699 WeakPolarHBondContact O-CB 3.1Å; I692-F699 HydrophobicContact CB-CB 4.46Å; I692-F699 HydrophobicContact CG1-CB 4.2Å; F699-T701 HydrophobicContact CD2-CG2 3.99Å; F699-T701 HydrophobicContact CE2-CG2 4.03Å; F699-F711 HydrophobicContact CD1-CB 4.1Å; F699-F711 HydrophobicContact CD2-CB 4.14Å; F699-F711 HydrophobicContact CD2-CD2 4.03Å; F699-F711 HydrophobicContact CD2-CG 4.38Å; F699-F711 HydrophobicContact CE1-CB 3.7Å; F699-F711 HydrophobicContact CE1-CG 4.24Å; F699-F711 HydrophobicContact CE2-CB 3.7Å; F699-F711 AromaticContact CE2-CD2 3.31Å; F699-F711 HydrophobicContact CE2-CD2 3.31Å; F699-F711 HydrophobicContact CE2-CE2 4.05Å; F699-F711 AromaticContact CE2-CG 3.59Å; F699-F711 HydrophobicContact CE2-CG 3.59Å; F699-F711 HydrophobicContact CG-CB 4.31Å; F699-F711 HydrophobicContact CZ-CB 3.48Å; F699-F711 VanDerWaalsContact CZ-CB 3.48Å; F699-F711 HydrophobicContact CZ-CD1 4.13Å; F699-F711 AromaticContact CZ-CD2 3.76Å; F699-F711 HydrophobicContact CZ-CD2 3.76Å; F699-F711 AromaticContact CZ-CG 3.51Å; F699-F711 HydrophobicContact CZ-CG 3.51Å; F699-F711 PolarHBondContact N-O 3.16Å; F699-F711 PolarHBondContact O-N 2.78Å |
| 700 | F | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 144.9 | 175.4 | -63.7 | -90.4 | 0 | 0 | 0 | 110.8 | I368 L376 P391 Y392 L394 W414 L690 A691 C709 Y710 | I368-F700 HydrophobicContact CD1-CD2 4.14Å; I368-F700 HydrophobicContact CD1-CE2 4.34Å; L376-F700 HydrophobicContact CD1-CB 4.35Å; L376-F700 HydrophobicContact CD1-CD2 4.22Å; L376-F700 HydrophobicContact CD1-CG 4.18Å; L376-F700 HydrophobicContact CD2-CD1 3.88Å; L376-F700 HydrophobicContact CD2-CE1 4.15Å; L376-F700 HydrophobicContact CD2-CG 4.17Å; P391-F700 HydrophobicContact CB-CE1 4.11Å; P391-F700 HydrophobicContact CB-CZ 4.09Å; P391-F700 HydrophobicContact CG-CE1 4.35Å; P391-F700 HydrophobicContact CG-CZ 3.92Å; Y392-F700 WeakPolarHBondContact O-CZ 3.45Å; L394-F700 HydrophobicContact CD1-CE2 3.84Å; L394-F700 HydrophobicContact CD1-CZ 4.18Å; L394-F700 HydrophobicContact CD2-CE2 4.43Å; L394-F700 HydrophobicContact CG-CE2 3.91Å; L394-F700 HydrophobicContact CG-CZ 4.14Å; W414-F700 HydrophobicContact CH2-CE1 4.25Å; L690-F700 WeakPolarHBondContact CA-O 3.46Å; A691-F700 PolarHBondContact N-O 3.42Å; A691-F700 PolarHBondContact O-N 3.03Å; F700-C709 CarbonylContact C-O 3.44Å; F700-C709 VanDerWaalsContact CA-O 3.25Å; F700-C709 WeakPolarHBondContact CA-O 3.28Å; F700-Y710 AromaticContact CD1-CD2 3.9Å; F700-Y710 HydrophobicContact CD1-CD2 3.9Å; F700-Y710 HydrophobicContact CD1-CG 4.3Å; F700-Y710 HydrophobicContact CD2-CD2 4.18Å; F700-Y710 AromaticContact CE1-CD2 3.52Å; F700-Y710 HydrophobicContact CE1-CD2 3.52Å; F700-Y710 AromaticContact CE1-CG 3.82Å; F700-Y710 HydrophobicContact CE1-CG 3.82Å; F700-Y710 AromaticContact CE2-CD2 3.82Å; F700-Y710 HydrophobicContact CE2-CD2 3.82Å; F700-Y710 HydrophobicContact CE2-CE2 4.15Å; F700-Y710 HydrophobicContact CG-CD2 4.23Å; F700-Y710 AromaticContact CZ-CD2 3.48Å; F700-Y710 HydrophobicContact CZ-CD2 3.48Å; F700-Y710 VanDerWaalsContact CZ-CD2 3.48Å; F700-Y710 HydrophobicContact CZ-CE2 4.05Å; F700-Y710 HydrophobicContact CZ-CG 4.13Å |
| 701 | T | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 147 | 169.7 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | I648 H683 I687 S689 L690 F699 L708 C709 | I648-T701 HydrophobicContact CD1-CG2 3.37Å; I648-T701 HydrophobicContact CG1-CG2 4.4Å; H683-T701 PolarHBondContact CD2-OG1 2.72Å; H683-T701 WeakPolarHBondContact NE2-CB 3.13Å; H683-T701 PolarHBondContact NE2-O 3.01Å; H683-T701 PolarHBondContact NE2-OG1 3.17Å; I687-T701 HydrophobicContact CG2-CG2 4.33Å; S689-T701 WeakPolarHBondContact O-CA 3.35Å; L690-T701 HydrophobicContact CB-CG2 4.28Å; L690-T701 HydrophobicContact CD1-CG2 3.93Å; L690-T701 HydrophobicContact CG-CG2 4.23Å; F699-T701 HydrophobicContact CD2-CG2 3.99Å; F699-T701 HydrophobicContact CE2-CG2 4.03Å; T701-L708 WeakPolarHBondContact O-CA 3.38Å; T701-C709 PolarHBondContact N-O 2.97Å; T701-C709 PolarHBondContact O-N 3.49Å |
| 702 | G | 93.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | L366 W688 S689 | L366-G702 VanDerWaalsContact CD1-N 3.27Å; W688-G702 PolarHBondContact N-O 2.75Å; S689-G702 PolarHBondContact O-N 3.44Å; S689-G702 VanDerWaalsContact O-N 3.1Å |
| 703 | G | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 168.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V363 R686 D705 T707 | V363-G703 PolarHBondContact N-O 2.92Å; R686-G703 CarbonylContact O-C 3.35Å; R686-G703 VanDerWaalsContact O-CA 3.25Å; R686-G703 WeakPolarHBondContact O-CA 3.21Å; G703-D705 PolarHBondContact O-N 3.05Å; G703-T707 PolarHBondContact N-O 3.38Å |
| 704 | E | 91.1 | Very high | 89 | Confident | 71 Ų | 71 | 22.5 Ų | 22.5 | 33% | 0.332 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.1 | 164.2 | -173.5 | 173.1 | -164.9 | 0 | 0 | 112.2 | R686 E706 | R686-E704 HydrophobicContact CB-CB 4.09Å; R686-E704 WeakPolarHBondContact CB-OE2 3.3Å; R686-E704 WeakPolarHBondContact CD-OE2 3.2Å; R686-E704 WeakPolarHBondContact CG-OE2 3.5Å; R686-E704 IonicContact CZ-OE1 2.9Å; R686-E704 IonicContact CZ-OE2 3.76Å; R686-E704 PolarHBondContact N-OE2 2.86Å; R686-E704 IonicContact NE-OE1 3.29Å; R686-E704 IonicContact NE-OE2 3.43Å; R686-E704 PolarHBondContact NE-OE2 3.23Å; R686-E704 PolarHBondContact O-N 3Å; E704-E706 PolarHBondContact O-N 2.79Å; E704-E706 VanDerWaalsContact O-N 3.15Å |
| 705 | D | 89.3 | Confident | 89 | Confident | 35 Ų | 35 | 19.6 Ų | 19.6 | 19% | 0.187 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 12.3 | 177.8 | 70.8 | -11 | 0 | 0 | 0 | 114.4 | K12 H683 D684 G703 T707 | K12-D705 IonicContact NZ-OD2 3.23Å; K12-D705 PolarHBondContact NZ-OD2 3.02Å; H683-D705 WeakPolarHBondContact CA-OD2 3.45Å; H683-D705 IonicContact CE1-OD1 2.68Å; H683-D705 IonicContact CG-OD1 3.33Å; H683-D705 IonicContact CG-OD2 3.16Å; H683-D705 IonicContact ND1-OD1 3.47Å; H683-D705 PolarHBondContact ND1-OD1 3.11Å; H683-D705 IonicContact ND1-OD2 3.01Å; H683-D705 PolarHBondContact ND1-OD2 3.29Å; D684-D705 PolarHBondContact N-OD2 3.18Å; D684-D705 VanDerWaalsContact N-OD2 3.1Å; G703-D705 PolarHBondContact O-N 3.05Å; D705-T707 HydrophobicContact CB-CG2 4.5Å; D705-T707 VanDerWaalsContact O-CG2 3.27Å; D705-T707 WeakPolarHBondContact O-CG2 3.48Å; D705-T707 PolarHBondContact O-N 2.83Å; D705-T707 VanDerWaalsContact O-N 3.17Å; D705-T707 WeakPolarHBondContact OD1-CB 3.5Å; D705-T707 PolarHBondContact OD1-N 3.3Å; D705-T707 PolarHBondContact OD1-OG1 2.95Å; D705-T707 PolarHBondContact OD2-OG1 3.25Å |
| 706 | E | 89.7 | Confident | 89 | Confident | 58 Ų | 58 | 24.2 Ų | 24.2 | 27% | 0.271 | 12% | 0.121 | S | C | . | . | S | Bend | trans | 61.6 | 20.6 | -179.9 | -47.5 | 166.5 | 160.2 | 0 | 0 | 113.4 | P15 R35 I360 G361 E704 | P15-E706 WeakPolarHBondContact CD-O 3.48Å; P15-E706 HydrophobicContact CG-CB 3.65Å; P15-E706 WeakPolarHBondContact CG-O 3.47Å; R35-E706 IonicContact NH2-OE2 2.9Å; R35-E706 PolarHBondContact NH2-OE2 3.15Å; I360-E706 WeakPolarHBondContact CD1-O 3Å; I360-E706 WeakPolarHBondContact CG1-O 3.34Å; G361-E706 WeakPolarHBondContact O-CA 3.44Å; E704-E706 PolarHBondContact O-N 2.79Å; E704-E706 VanDerWaalsContact O-N 3.15Å |
| 707 | T | 89.9 | Confident | 89.1 | Confident | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.055 | 14% | 0.136 | C | C | . | . | trans | -112.3 | 157 | -178.2 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | K12 F13 Q14 H683 G703 D705 | K12-T707 WeakPolarHBondContact CE-OG1 3.36Å; K12-T707 PolarHBondContact NZ-OG1 3.15Å; F13-T707 WeakPolarHBondContact O-CA 3.48Å; F13-T707 VanDerWaalsContact O-CB 3.24Å; F13-T707 WeakPolarHBondContact O-CB 3.37Å; Q14-T707 HydrophobicContact CG-CG2 4.27Å; H683-T707 PolarHBondContact CE1-O 2.74Å; H683-T707 PolarHBondContact CE1-OG1 2.69Å; H683-T707 VanDerWaalsContact CE1-OG1 3.29Å; H683-T707 PolarHBondContact ND1-OG1 3.48Å; G703-T707 PolarHBondContact N-O 3.38Å; D705-T707 HydrophobicContact CB-CG2 4.5Å; D705-T707 VanDerWaalsContact O-CG2 3.27Å; D705-T707 WeakPolarHBondContact O-CG2 3.48Å; D705-T707 PolarHBondContact O-N 2.83Å; D705-T707 VanDerWaalsContact O-N 3.17Å; D705-T707 WeakPolarHBondContact OD1-CB 3.5Å; D705-T707 PolarHBondContact OD1-N 3.3Å; D705-T707 PolarHBondContact OD1-OG1 2.95Å; D705-T707 PolarHBondContact OD2-OG1 3.25Å | ||
| 708 | L | 91.1 | Very high | 89 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.6 | 168.6 | -60 | 164.9 | 0 | 0 | 0 | 109.5 | K12 F13 I360 V363 L366 L376 L378 F388 W414 T701 | K12-L708 CarbonylContact C-O 3.56Å; K12-L708 VanDerWaalsContact CA-O 3.29Å; K12-L708 WeakPolarHBondContact CA-O 3.11Å; F13-L708 HydrophobicContact CB-CB 3.97Å; F13-L708 HydrophobicContact CB-CD1 4.49Å; F13-L708 PolarHBondContact N-O 3.26Å; F13-L708 PolarHBondContact O-N 2.97Å; F13-L708 VanDerWaalsContact O-N 3.08Å; I360-L708 HydrophobicContact CD1-CD1 3.74Å; I360-L708 HydrophobicContact CD1-CD2 4.33Å; I360-L708 HydrophobicContact CD1-CG 3.55Å; V363-L708 HydrophobicContact CB-CD2 4.43Å; V363-L708 HydrophobicContact CG1-CD2 3.96Å; V363-L708 HydrophobicContact CG2-CD2 3.93Å; L366-L708 HydrophobicContact CD1-CD2 3.7Å; L366-L708 HydrophobicContact CD2-CD2 3.62Å; L366-L708 HydrophobicContact CG-CD2 4.18Å; L376-L708 HydrophobicContact CD2-CD1 4.31Å; L378-L708 HydrophobicContact CD2-CD1 4.21Å; F388-L708 HydrophobicContact CD2-CD1 4.08Å; F388-L708 HydrophobicContact CE2-CD1 3.42Å; F388-L708 VanDerWaalsContact CE2-CD1 3.42Å; F388-L708 HydrophobicContact CZ-CD1 3.88Å; W414-L708 HydrophobicContact CH2-CB 4.38Å; W414-L708 HydrophobicContact CZ3-CB 4.39Å; W414-L708 HydrophobicContact CZ3-CD1 4.25Å; T701-L708 WeakPolarHBondContact O-CA 3.38Å |
| 709 | C | 91.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.8 | 177.2 | -69.7 | 0 | 0 | 0 | 0 | 110 | L9 K12 A682 H683 F700 T701 F711 | L9-C709 HydrophobicContact CD1-CB 3.67Å; K12-C709 VanDerWaalsContact CD-SG 3.57Å; A682-C709 PolarHBondContact O-SG 3.43Å; H683-C709 VanDerWaalsContact CE1-SG 3.58Å; F700-C709 CarbonylContact C-O 3.44Å; F700-C709 VanDerWaalsContact CA-O 3.25Å; F700-C709 WeakPolarHBondContact CA-O 3.28Å; T701-C709 PolarHBondContact N-O 2.97Å; T701-C709 PolarHBondContact O-N 3.49Å; C709-F711 HydrophobicContact CB-CD2 4.36Å; C709-F711 HydrophobicContact CB-CE2 3.77Å |
| 710 | Y | 91.7 | Very high | 88.4 | Confident | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.6 | 171.1 | 174.4 | -114.5 | 0 | 0 | 0 | 110.1 | A10 D11 G393 F700 E712 | A10-Y710 HydrophobicContact CB-CD1 3.69Å; A10-Y710 HydrophobicContact CB-CE1 3.92Å; A10-Y710 PolarHBondContact N-O 3.07Å; D11-Y710 PolarHBondContact N-O 3Å; D11-Y710 PolarHBondContact O-N 3.32Å; G393-Y710 VanDerWaalsContact CA-OH 3.23Å; G393-Y710 WeakPolarHBondContact CA-OH 3.41Å; F700-Y710 AromaticContact CD1-CD2 3.9Å; F700-Y710 HydrophobicContact CD1-CD2 3.9Å; F700-Y710 HydrophobicContact CD1-CG 4.3Å; F700-Y710 HydrophobicContact CD2-CD2 4.18Å; F700-Y710 AromaticContact CE1-CD2 3.52Å; F700-Y710 HydrophobicContact CE1-CD2 3.52Å; F700-Y710 AromaticContact CE1-CG 3.82Å; F700-Y710 HydrophobicContact CE1-CG 3.82Å; F700-Y710 AromaticContact CE2-CD2 3.82Å; F700-Y710 HydrophobicContact CE2-CD2 3.82Å; F700-Y710 HydrophobicContact CE2-CE2 4.15Å; F700-Y710 HydrophobicContact CG-CD2 4.23Å; F700-Y710 AromaticContact CZ-CD2 3.48Å; F700-Y710 HydrophobicContact CZ-CD2 3.48Å; F700-Y710 VanDerWaalsContact CZ-CD2 3.48Å; F700-Y710 HydrophobicContact CZ-CE2 4.05Å; F700-Y710 HydrophobicContact CZ-CG 4.13Å; Y710-E712 HydrophobicContact CE1-CB 3.99Å |
| 711 | F | 90.5 | Very high | 88 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.7 | 177.3 | -74.2 | -93.3 | 0 | 0 | 0 | 110 | F7 K8 L9 I648 Y680 A682 G698 F699 C709 | F7-F711 HydrophobicContact CB-CB 4.22Å; F7-F711 HydrophobicContact CB-CD1 4.37Å; K8-F711 CarbonylContact O-C 3.56Å; K8-F711 VanDerWaalsContact O-CA 3.3Å; K8-F711 WeakPolarHBondContact O-CA 3.46Å; L9-F711 HydrophobicContact CB-CD1 4.23Å; L9-F711 HydrophobicContact CB-CE1 3.84Å; L9-F711 HydrophobicContact CB-CZ 4.28Å; L9-F711 HydrophobicContact CD1-CD2 4.37Å; L9-F711 HydrophobicContact CD1-CE1 4.24Å; L9-F711 HydrophobicContact CD1-CE2 3.99Å; L9-F711 HydrophobicContact CD1-CZ 3.91Å; I648-F711 HydrophobicContact CD1-CD2 4.36Å; I648-F711 HydrophobicContact CD1-CE2 3.78Å; I648-F711 HydrophobicContact CD1-CZ 4.17Å; Y680-F711 HydrophobicContact CG-CE1 4.37Å; A682-F711 HydrophobicContact CB-CE2 3.71Å; A682-F711 HydrophobicContact CB-CZ 3.64Å; G698-F711 CarbonylContact C-O 3.6Å; G698-F711 WeakPolarHBondContact CA-O 3.48Å; F699-F711 HydrophobicContact CD1-CB 4.1Å; F699-F711 HydrophobicContact CD2-CB 4.14Å; F699-F711 HydrophobicContact CD2-CD2 4.03Å; F699-F711 HydrophobicContact CD2-CG 4.38Å; F699-F711 HydrophobicContact CE1-CB 3.7Å; F699-F711 HydrophobicContact CE1-CG 4.24Å; F699-F711 HydrophobicContact CE2-CB 3.7Å; F699-F711 AromaticContact CE2-CD2 3.31Å; F699-F711 HydrophobicContact CE2-CD2 3.31Å; F699-F711 HydrophobicContact CE2-CE2 4.05Å; F699-F711 AromaticContact CE2-CG 3.59Å; F699-F711 HydrophobicContact CE2-CG 3.59Å; F699-F711 HydrophobicContact CG-CB 4.31Å; F699-F711 HydrophobicContact CZ-CB 3.48Å; F699-F711 VanDerWaalsContact CZ-CB 3.48Å; F699-F711 HydrophobicContact CZ-CD1 4.13Å; F699-F711 AromaticContact CZ-CD2 3.76Å; F699-F711 HydrophobicContact CZ-CD2 3.76Å; F699-F711 AromaticContact CZ-CG 3.51Å; F699-F711 HydrophobicContact CZ-CG 3.51Å; F699-F711 PolarHBondContact N-O 3.16Å; F699-F711 PolarHBondContact O-N 2.78Å; C709-F711 HydrophobicContact CB-CD2 4.36Å; C709-F711 HydrophobicContact CB-CE2 3.77Å |
| 712 | E | 88.1 | Confident | 87.4 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 145.4 | 174 | 76.9 | -175.3 | 164.7 | 0 | 0 | 111.1 | F7 K8 A10 K409 Y710 I714 | F7-E712 CarbonylContact C-O 3.48Å; F7-E712 VanDerWaalsContact CA-O 3.32Å; F7-E712 WeakPolarHBondContact CA-O 3.35Å; K8-E712 HydrophobicContact CB-CG 4.43Å; K8-E712 PolarHBondContact N-O 3.13Å; K8-E712 PolarHBondContact O-N 3.26Å; A10-E712 HydrophobicContact CB-CB 3.78Å; A10-E712 HydrophobicContact CB-CG 3.75Å; K409-E712 IonicContact NZ-OE2 3.31Å; Y710-E712 HydrophobicContact CE1-CB 3.99Å; E712-I714 HydrophobicContact CG-CG2 3.85Å; E712-I714 PolarHBondContact O-N 3.18Å |
| 713 | D | 87 | Confident | 87 | Confident | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120 | 170.4 | -179.7 | 18.6 | 0 | 0 | 0 | 110.5 | K4 F7 S697 T715 | K4-D713 VanDerWaalsContact CD-OD2 3.22Å; K4-D713 WeakPolarHBondContact CD-OD2 3.4Å; K4-D713 VanDerWaalsContact CE-OD2 3.29Å; K4-D713 WeakPolarHBondContact CE-OD2 3.3Å; K4-D713 IonicContact NZ-OD2 3.87Å; K4-D713 PolarHBondContact NZ-OD2 3.01Å; F7-D713 HydrophobicContact CD1-CB 4.19Å; F7-D713 HydrophobicContact CE1-CB 3.85Å; S697-D713 WeakPolarHBondContact O-CB 3.23Å; S697-D713 PolarHBondContact O-N 3.11Å; D713-T715 WeakPolarHBondContact OD1-CB 3.41Å; D713-T715 PolarHBondContact OD1-N 3.42Å; D713-T715 PolarHBondContact OD1-OG1 3.34Å |
| 714 | I | 85 | Confident | 87 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.092 | 26% | 0.262 | C | S | . | . | trans | -109.4 | 15.1 | 177.7 | 58.1 | 161.7 | 0 | 0 | 0 | 112.4 | K6 K8 E712 E716 I717 L718 | K6-I714 HydrophobicContact CB-CD1 4.29Å; K6-I714 HydrophobicContact CB-CG1 4.12Å; K6-I714 HydrophobicContact CD-CD1 4.06Å; K6-I714 HydrophobicContact CG-CD1 4.08Å; K6-I714 HydrophobicContact CG-CG1 4.32Å; K6-I714 WeakPolarHBondContact O-CG1 3.23Å; K6-I714 PolarHBondContact O-N 2.68Å; K6-I714 VanDerWaalsContact O-N 3.11Å; K8-I714 HydrophobicContact CB-CD1 3.93Å; K8-I714 HydrophobicContact CB-CG1 4.2Å; K8-I714 HydrophobicContact CB-CG2 3.78Å; K8-I714 HydrophobicContact CD-CG2 4.38Å; E712-I714 HydrophobicContact CG-CG2 3.85Å; E712-I714 PolarHBondContact O-N 3.18Å; I714-E716 VanDerWaalsContact C-N 3.32Å; I714-E716 PolarHBondContact O-N 2.81Å; I714-I717 HydrophobicContact CG2-CD1 4.4Å; I714-I717 PolarHBondContact O-N 3.25Å; I714-L718 HydrophobicContact CD1-CD1 3.85Å; I714-L718 HydrophobicContact CD1-CG 4.18Å; I714-L718 HydrophobicContact CG1-CD1 4.05Å; I714-L718 HydrophobicContact CG1-CG 4.44Å; I714-L718 WeakPolarHBondContact O-CG 3.45Å; I714-L718 PolarHBondContact O-N 3.45Å; I714-L718 VanDerWaalsContact O-N 3.08Å | ||
| 715 | T | 82.8 | Confident | 86.8 | Confident | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -44.9 | -177.2 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | L5 D713 L718 L719 | L5-T715 HydrophobicContact CB-CG2 3.9Å; L5-T715 HydrophobicContact CD1-CG2 3.97Å; L5-T715 HydrophobicContact CG-CG2 3.78Å; L5-T715 PolarHBondContact N-OG1 2.9Å; D713-T715 WeakPolarHBondContact OD1-CB 3.41Å; D713-T715 PolarHBondContact OD1-N 3.42Å; D713-T715 PolarHBondContact OD1-OG1 3.34Å; T715-L718 PolarHBondContact O-N 3.27Å; T715-L719 HydrophobicContact CG2-CD1 4.07Å; T715-L719 WeakPolarHBondContact O-CG 3.28Å; T715-L719 PolarHBondContact O-N 2.76Å |
| 716 | E | 81.3 | Confident | 86.7 | Confident | 147 Ų | 147 | 57.9 Ų | 57.9 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.4 | -40.5 | -179.1 | -170.8 | 177 | 179.9 | 0 | 0 | 112.4 | I714 L719 N720 | I714-E716 VanDerWaalsContact C-N 3.32Å; I714-E716 PolarHBondContact O-N 2.81Å; E716-L719 PolarHBondContact O-N 3.37Å; E716-N720 VanDerWaalsContact O-CG 3.26Å; E716-N720 PolarHBondContact O-N 3.32Å; E716-N720 PolarHBondContact O-ND2 3.47Å |
| 717 | I | 83.9 | Confident | 86.8 | Confident | 86 Ų | 86 | 60.7 Ų | 60.7 | 44% | 0.441 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 178 | -61.9 | 171.7 | 0 | 0 | 0 | 110.1 | I714 L719 N720 E721 | I714-I717 HydrophobicContact CG2-CD1 4.4Å; I714-I717 PolarHBondContact O-N 3.25Å; I717-L719 PolarHBondContact O-N 3.35Å; I717-N720 PolarHBondContact O-N 3.12Å; I717-E721 WeakPolarHBondContact O-CG 3.13Å; I717-E721 PolarHBondContact O-N 2.86Å |
| 718 | L | 82.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | -179.8 | -69.8 | 174.1 | 0 | 0 | 0 | 112.9 | K6 I714 T715 N720 T722 | K6-L718 HydrophobicContact CB-CD1 3.61Å; K6-L718 HydrophobicContact CD-CD1 3.93Å; K6-L718 HydrophobicContact CG-CD1 4.32Å; I714-L718 HydrophobicContact CD1-CD1 3.85Å; I714-L718 HydrophobicContact CD1-CG 4.18Å; I714-L718 HydrophobicContact CG1-CD1 4.05Å; I714-L718 HydrophobicContact CG1-CG 4.44Å; I714-L718 WeakPolarHBondContact O-CG 3.45Å; I714-L718 PolarHBondContact O-N 3.45Å; I714-L718 VanDerWaalsContact O-N 3.08Å; T715-L718 PolarHBondContact O-N 3.27Å; L718-N720 VanDerWaalsContact C-N 3.32Å; L718-T722 WeakPolarHBondContact O-CB 3.31Å; L718-T722 PolarHBondContact O-N 2.92Å; L718-T722 PolarHBondContact O-OG1 3.39Å |
| 719 | L | 81.9 | Confident | 86.6 | Confident | 95 Ų | 95 | 73 Ų | 73 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.9 | -76.3 | 173.6 | 0 | 0 | 0 | 111.1 | L5 T715 E716 I717 T722 S723 | L5-L719 HydrophobicContact CD1-CD1 4.42Å; L5-L719 HydrophobicContact CD1-CD2 3.69Å; L5-L719 HydrophobicContact CD1-CG 3.81Å; T715-L719 HydrophobicContact CG2-CD1 4.07Å; T715-L719 WeakPolarHBondContact O-CG 3.28Å; T715-L719 PolarHBondContact O-N 2.76Å; E716-L719 PolarHBondContact O-N 3.37Å; I717-L719 PolarHBondContact O-N 3.35Å; L719-T722 PolarHBondContact O-N 3.34Å; L719-S723 WeakPolarHBondContact O-CB 3.37Å; L719-S723 PolarHBondContact O-N 3.46Å |
| 720 | N | 86.4 | Confident | 86.5 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 177.3 | -70 | -17.2 | 0 | 0 | 0 | 112 | E716 I717 L718 T722 S723 Q724 | E716-N720 VanDerWaalsContact O-CG 3.26Å; E716-N720 PolarHBondContact O-N 3.32Å; E716-N720 PolarHBondContact O-ND2 3.47Å; I717-N720 PolarHBondContact O-N 3.12Å; L718-N720 VanDerWaalsContact C-N 3.32Å; N720-T722 VanDerWaalsContact C-N 3.32Å; N720-T722 PolarHBondContact O-N 3.29Å; N720-S723 PolarHBondContact O-N 2.82Å; N720-Q724 WeakPolarHBondContact O-CB 3.09Å; N720-Q724 VanDerWaalsContact O-CG 3.29Å; N720-Q724 WeakPolarHBondContact O-CG 3.09Å; N720-Q724 PolarHBondContact O-N 3.33Å |
| 721 | E | 85.7 | Confident | 86.4 | Confident | 92 Ų | 92 | 81.8 Ų | 81.8 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 175.6 | -73.5 | 176.2 | 175 | 0 | 0 | 111.8 | I717 Q724 Q725 | I717-E721 WeakPolarHBondContact O-CG 3.13Å; I717-E721 PolarHBondContact O-N 2.86Å; E721-Q724 PolarHBondContact O-N 2.78Å; E721-Q725 WeakPolarHBondContact O-CG 3.06Å; E721-Q725 PolarHBondContact O-N 2.94Å |
| 722 | T | 82.3 | Confident | 86.3 | Confident | 63 Ų | 63 | 83.9 Ų | 83.9 | 39% | 0.387 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.6 | -40.6 | 178.4 | -53 | 0 | 0 | 0 | 0 | 111.3 | L718 L719 N720 Q725 Q726 | L718-T722 WeakPolarHBondContact O-CB 3.31Å; L718-T722 PolarHBondContact O-N 2.92Å; L718-T722 PolarHBondContact O-OG1 3.39Å; L719-T722 PolarHBondContact O-N 3.34Å; N720-T722 VanDerWaalsContact C-N 3.32Å; N720-T722 PolarHBondContact O-N 3.29Å; T722-Q725 PolarHBondContact O-N 3.42Å; T722-Q726 WeakPolarHBondContact O-CB 3.24Å; T722-Q726 VanDerWaalsContact O-CG 3.27Å; T722-Q726 WeakPolarHBondContact O-CG 2.87Å; T722-Q726 PolarHBondContact O-N 3.11Å |
| 723 | S | 85.5 | Confident | 86.2 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.8 | -164.8 | 0 | 0 | 0 | 0 | 111 | L719 N720 Q725 Q726 E727 | L719-S723 WeakPolarHBondContact O-CB 3.37Å; L719-S723 PolarHBondContact O-N 3.46Å; N720-S723 PolarHBondContact O-N 2.82Å; S723-Q725 PolarHBondContact O-N 2.97Å; S723-Q726 PolarHBondContact O-N 3.01Å; S723-E727 WeakPolarHBondContact O-CB 3.1Å; S723-E727 VanDerWaalsContact O-CG 3.31Å; S723-E727 WeakPolarHBondContact O-CG 2.9Å; S723-E727 PolarHBondContact O-N 3.18Å; S723-E727 PolarHBondContact OG-OE1 3.23Å; S723-E727 VanDerWaalsContact OG-OE1 3.06Å |
| 724 | Q | 90.1 | Very high | 86.3 | Confident | 115 Ų | 115 | 86.9 Ų | 86.9 | 54% | 0.537 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 177.5 | -74 | 172.6 | 8 | 0 | 0 | 111.8 | N720 E721 Q726 E727 E728 | N720-Q724 WeakPolarHBondContact O-CB 3.09Å; N720-Q724 VanDerWaalsContact O-CG 3.29Å; N720-Q724 WeakPolarHBondContact O-CG 3.09Å; N720-Q724 PolarHBondContact O-N 3.33Å; E721-Q724 PolarHBondContact O-N 2.78Å; Q724-Q726 VanDerWaalsContact C-N 3.31Å; Q724-Q726 PolarHBondContact O-N 3.08Å; Q724-E727 PolarHBondContact O-N 2.55Å; Q724-E728 WeakPolarHBondContact O-CG 3.5Å; Q724-E728 PolarHBondContact O-N 2.81Å |
| 725 | Q | 86.4 | Confident | 86.5 | Confident | 126 Ų | 126 | 90.1 Ų | 90.1 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 176.2 | -71.9 | 174.1 | 12.7 | 0 | 0 | 112.4 | E721 T722 S723 Y729 | E721-Q725 WeakPolarHBondContact O-CG 3.06Å; E721-Q725 PolarHBondContact O-N 2.94Å; T722-Q725 PolarHBondContact O-N 3.42Å; S723-Q725 PolarHBondContact O-N 2.97Å; Q725-Y729 VanDerWaalsContact O-CB 3.3Å; Q725-Y729 WeakPolarHBondContact O-CB 3.39Å; Q725-Y729 PolarHBondContact O-N 3.41Å |
| 726 | Q | 88.4 | Confident | 86.8 | Confident | 115 Ų | 115 | 89.5 Ų | 89.5 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68 | -41.2 | 175.8 | -74.5 | 176.6 | 5.1 | 0 | 0 | 111.9 | T722 S723 Q724 Y729 I730 | T722-Q726 WeakPolarHBondContact O-CB 3.24Å; T722-Q726 VanDerWaalsContact O-CG 3.27Å; T722-Q726 WeakPolarHBondContact O-CG 2.87Å; T722-Q726 PolarHBondContact O-N 3.11Å; S723-Q726 PolarHBondContact O-N 3.01Å; Q724-Q726 VanDerWaalsContact C-N 3.31Å; Q724-Q726 PolarHBondContact O-N 3.08Å; Q726-Y729 PolarHBondContact O-N 3Å; Q726-I730 WeakPolarHBondContact O-CB 3.3Å; Q726-I730 WeakPolarHBondContact O-CD1 3.26Å; Q726-I730 WeakPolarHBondContact O-CG1 2.86Å; Q726-I730 PolarHBondContact O-N 2.79Å |
| 727 | E | 91.1 | Very high | 87.2 | Confident | 118 Ų | 118 | 85.4 Ų | 85.4 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 176.1 | -75.2 | 168.8 | -151.4 | 0 | 0 | 111.6 | S723 Q724 Y729 I730 Q731 | S723-E727 WeakPolarHBondContact O-CB 3.1Å; S723-E727 VanDerWaalsContact O-CG 3.31Å; S723-E727 WeakPolarHBondContact O-CG 2.9Å; S723-E727 PolarHBondContact O-N 3.18Å; S723-E727 PolarHBondContact OG-OE1 3.23Å; S723-E727 VanDerWaalsContact OG-OE1 3.06Å; Q724-E727 PolarHBondContact O-N 2.55Å; E727-Y729 VanDerWaalsContact C-N 3.34Å; E727-Y729 PolarHBondContact O-N 3.07Å; E727-I730 PolarHBondContact O-N 2.62Å; E727-Q731 WeakPolarHBondContact O-CB 2.86Å; E727-Q731 PolarHBondContact O-N 3.46Å |
| 728 | E | 88.8 | Confident | 87.6 | Confident | 128 Ų | 128 | 85.7 Ų | 85.7 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 174.1 | -73.1 | -179.4 | 173.8 | 0 | 0 | 111.7 | Q724 Q731 T732 | Q724-E728 WeakPolarHBondContact O-CG 3.5Å; Q724-E728 PolarHBondContact O-N 2.81Å; E728-Q731 PolarHBondContact O-N 3.26Å; E728-T732 WeakPolarHBondContact O-CG2 3.05Å; E728-T732 PolarHBondContact O-N 3.28Å; E728-T732 PolarHBondContact O-OG1 3.05Å; E728-T732 VanDerWaalsContact O-OG1 3.1Å |
| 729 | Y | 87.7 | Confident | 88 | Confident | 140 Ų | 140 | 85.1 Ų | 85.1 | 55% | 0.549 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 175.3 | 178.2 | -99.3 | 0 | 0 | 0 | 112.1 | Q725 Q726 E727 Q731 T732 Q733 | Q725-Y729 VanDerWaalsContact O-CB 3.3Å; Q725-Y729 WeakPolarHBondContact O-CB 3.39Å; Q725-Y729 PolarHBondContact O-N 3.41Å; Q726-Y729 PolarHBondContact O-N 3Å; E727-Y729 VanDerWaalsContact C-N 3.34Å; E727-Y729 PolarHBondContact O-N 3.07Å; Y729-Q731 VanDerWaalsContact C-N 3.32Å; Y729-Q731 PolarHBondContact O-N 3.06Å; Y729-T732 PolarHBondContact O-N 3.25Å; Y729-T732 PolarHBondContact O-OG1 3.24Å; Y729-Q733 WeakPolarHBondContact O-CB 3.49Å; Y729-Q733 PolarHBondContact O-N 2.81Å |
| 730 | I | 90.6 | Very high | 88.3 | Confident | 87 Ų | 87 | 82 Ų | 82 | 45% | 0.446 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.2 | -71.1 | 164 | 0 | 0 | 0 | 110.3 | Q726 E727 Q733 Q734 | Q726-I730 WeakPolarHBondContact O-CB 3.3Å; Q726-I730 WeakPolarHBondContact O-CD1 3.26Å; Q726-I730 WeakPolarHBondContact O-CG1 2.86Å; Q726-I730 PolarHBondContact O-N 2.79Å; E727-I730 PolarHBondContact O-N 2.62Å; I730-Q733 PolarHBondContact O-N 2.94Å; I730-Q734 HydrophobicContact CG2-CG 4.32Å; I730-Q734 WeakPolarHBondContact O-CB 2.96Å; I730-Q734 VanDerWaalsContact O-CG 3.24Å; I730-Q734 WeakPolarHBondContact O-CG 3.43Å; I730-Q734 PolarHBondContact O-N 3.22Å |
| 731 | Q | 88.7 | Confident | 88.4 | Confident | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 179.1 | -176.4 | -178.2 | -14.7 | 0 | 0 | 111.7 | E727 E728 Y729 Q733 Q734 E735 | E727-Q731 WeakPolarHBondContact O-CB 2.86Å; E727-Q731 PolarHBondContact O-N 3.46Å; E728-Q731 PolarHBondContact O-N 3.26Å; Y729-Q731 VanDerWaalsContact C-N 3.32Å; Y729-Q731 PolarHBondContact O-N 3.06Å; Q731-Q733 VanDerWaalsContact C-N 3.29Å; Q731-Q733 PolarHBondContact O-N 3.33Å; Q731-Q734 WeakPolarHBondContact O-CB 3.34Å; Q731-Q734 PolarHBondContact O-N 3.12Å; Q731-E735 PolarHBondContact NE2-OE1 3.11Å; Q731-E735 WeakPolarHBondContact O-CG 3.28Å; Q731-E735 PolarHBondContact O-N 2.9Å |
| 732 | T | 87.8 | Confident | 88.4 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 28% | 0.276 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 179 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | E728 Y729 E735 L736 | E728-T732 WeakPolarHBondContact O-CG2 3.05Å; E728-T732 PolarHBondContact O-N 3.28Å; E728-T732 PolarHBondContact O-OG1 3.05Å; E728-T732 VanDerWaalsContact O-OG1 3.1Å; Y729-T732 PolarHBondContact O-N 3.25Å; Y729-T732 PolarHBondContact O-OG1 3.24Å; T732-E735 PolarHBondContact O-N 2.85Å; T732-L736 PolarHBondContact O-N 3.47Å |
| 733 | Q | 86.4 | Confident | 88.6 | Confident | 38 Ų | 38 | 91.5 Ų | 91.5 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 173.9 | -172.3 | 61.3 | 37.8 | 0 | 0 | 112 | Y729 I730 Q731 L736 D737 Q757 | Y729-Q733 WeakPolarHBondContact O-CB 3.49Å; Y729-Q733 PolarHBondContact O-N 2.81Å; I730-Q733 PolarHBondContact O-N 2.94Å; Q731-Q733 VanDerWaalsContact C-N 3.29Å; Q731-Q733 PolarHBondContact O-N 3.33Å; Q733-L736 WeakPolarHBondContact O-CB 3.43Å; Q733-L736 PolarHBondContact O-N 2.8Å; Q733-D737 PolarHBondContact O-N 2.86Å; Q733-Q757 VanDerWaalsContact OE1-NE2 3.11Å |
| 734 | Q | 88.9 | Confident | 88.6 | Confident | 111 Ų | 111 | 93.1 Ų | 93.1 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 173.7 | -76.2 | 176.6 | 9 | 0 | 0 | 111.9 | I730 Q731 L736 D737 N738 | I730-Q734 HydrophobicContact CG2-CG 4.32Å; I730-Q734 WeakPolarHBondContact O-CB 2.96Å; I730-Q734 VanDerWaalsContact O-CG 3.24Å; I730-Q734 WeakPolarHBondContact O-CG 3.43Å; I730-Q734 PolarHBondContact O-N 3.22Å; Q731-Q734 WeakPolarHBondContact O-CB 3.34Å; Q731-Q734 PolarHBondContact O-N 3.12Å; Q734-L736 VanDerWaalsContact C-N 3.31Å; Q734-L736 PolarHBondContact O-N 3.22Å; Q734-D737 PolarHBondContact O-N 3.23Å; Q734-N738 WeakPolarHBondContact O-CB 3.48Å; Q734-N738 PolarHBondContact O-N 2.88Å; Q734-N738 PolarHBondContact O-ND2 3.32Å |
| 735 | E | 90 | Very high | 88.5 | Confident | 86 Ų | 86 | 88.8 Ų | 88.8 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 173.6 | -75.6 | 176.3 | -168.9 | 0 | 0 | 110.9 | Q731 T732 N738 L739 L751 | Q731-E735 PolarHBondContact NE2-OE1 3.11Å; Q731-E735 WeakPolarHBondContact O-CG 3.28Å; Q731-E735 PolarHBondContact O-N 2.9Å; T732-E735 PolarHBondContact O-N 2.85Å; E735-N738 PolarHBondContact O-N 3.38Å; E735-L739 VanDerWaalsContact O-CG 3.3Å; E735-L739 WeakPolarHBondContact O-CG 3.17Å; E735-L739 PolarHBondContact O-N 3.34Å; E735-L751 HydrophobicContact CB-CD2 4.32Å |
| 736 | L | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -48.9 | 175.5 | -175.8 | 66.3 | 0 | 0 | 0 | 112.3 | T732 Q733 Q734 N738 L739 V740 A748 L751 A752 R760 | T732-L736 PolarHBondContact O-N 3.47Å; Q733-L736 WeakPolarHBondContact O-CB 3.43Å; Q733-L736 PolarHBondContact O-N 2.8Å; Q734-L736 VanDerWaalsContact C-N 3.31Å; Q734-L736 PolarHBondContact O-N 3.22Å; L736-N738 VanDerWaalsContact C-N 3.33Å; L736-N738 PolarHBondContact O-N 3.27Å; L736-L739 WeakPolarHBondContact O-CB 3.33Å; L736-L739 PolarHBondContact O-N 2.86Å; L736-V740 WeakPolarHBondContact O-CG2 3.33Å; L736-V740 PolarHBondContact O-N 3.17Å; L736-A748 HydrophobicContact CD1-CB 4.36Å; L736-A748 VanDerWaalsContact CD1-O 3.24Å; L736-A748 WeakPolarHBondContact CD1-O 3.23Å; L736-L751 HydrophobicContact CB-CD2 3.9Å; L736-L751 HydrophobicContact CD1-CB 4.01Å; L736-L751 HydrophobicContact CD1-CD2 4.07Å; L736-L751 HydrophobicContact CD1-CG 4.19Å; L736-A752 HydrophobicContact CD1-CB 4.03Å; L736-A752 HydrophobicContact CD2-CB 4.42Å; L736-R760 HydrophobicContact CD2-CG 3.81Å |
| 737 | D | 88.2 | Confident | 88.3 | Confident | 61 Ų | 61 | 79.7 Ų | 79.7 | 33% | 0.326 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.6 | -35.7 | -179.6 | -70.1 | -25.4 | 0 | 0 | 0 | 112 | Q733 Q734 L739 V740 H741 R760 | Q733-D737 PolarHBondContact O-N 2.86Å; Q734-D737 PolarHBondContact O-N 3.23Å; D737-L739 VanDerWaalsContact C-N 3.35Å; D737-L739 PolarHBondContact O-N 2.82Å; D737-V740 PolarHBondContact O-N 2.54Å; D737-H741 WeakPolarHBondContact O-CB 3.41Å; D737-H741 PolarHBondContact O-N 3.1Å; D737-R760 IonicContact OD1-CZ 3.59Å; D737-R760 IonicContact OD1-NE 3.12Å; D737-R760 IonicContact OD1-NH2 3.83Å; D737-R760 PolarHBondContact OD1-NH2 2.86Å |
| 738 | N | 93.2 | Very high | 88.2 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 172.7 | -78.6 | -33.6 | 0 | 0 | 0 | 112 | Q734 E735 L736 K742 | Q734-N738 WeakPolarHBondContact O-CB 3.48Å; Q734-N738 PolarHBondContact O-N 2.88Å; Q734-N738 PolarHBondContact O-ND2 3.32Å; E735-N738 PolarHBondContact O-N 3.38Å; L736-N738 VanDerWaalsContact C-N 3.33Å; L736-N738 PolarHBondContact O-N 3.27Å; N738-K742 WeakPolarHBondContact O-CB 3.49Å; N738-K742 VanDerWaalsContact O-CG 3.29Å; N738-K742 WeakPolarHBondContact O-CG 3.42Å; N738-K742 PolarHBondContact O-N 3Å |
| 739 | L | 90.2 | Very high | 88.3 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 175.7 | -70.9 | 170.4 | 0 | 0 | 0 | 111.6 | E735 L736 D737 K742 Q743 M744 D747 A748 L751 | E735-L739 VanDerWaalsContact O-CG 3.3Å; E735-L739 WeakPolarHBondContact O-CG 3.17Å; E735-L739 PolarHBondContact O-N 3.34Å; L736-L739 WeakPolarHBondContact O-CB 3.33Å; L736-L739 PolarHBondContact O-N 2.86Å; D737-L739 VanDerWaalsContact C-N 3.35Å; D737-L739 PolarHBondContact O-N 2.82Å; L739-K742 PolarHBondContact O-N 2.97Å; L739-Q743 PolarHBondContact O-N 3.45Å; L739-M744 HydrophobicContact CD2-CB 4.25Å; L739-M744 HydrophobicContact CD2-SD 4.26Å; L739-M744 PolarHBondContact O-N 2.85Å; L739-D747 HydrophobicContact CD1-CB 4.07Å; L739-D747 HydrophobicContact CD2-CB 3.93Å; L739-A748 HydrophobicContact CB-CB 3.96Å; L739-L751 HydrophobicContact CD1-CB 4.48Å; L739-L751 HydrophobicContact CD1-CD2 4.02Å |
| 740 | V | 88.5 | Confident | 88.2 | Confident | 30 Ų | 30 | 63 Ų | 63 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.6 | 176 | 0 | 0 | 0 | 0 | 111.1 | L736 D737 K742 Q743 Y745 A748 I764 | L736-V740 WeakPolarHBondContact O-CG2 3.33Å; L736-V740 PolarHBondContact O-N 3.17Å; D737-V740 PolarHBondContact O-N 2.54Å; V740-K742 PolarHBondContact O-N 2.91Å; V740-Q743 WeakPolarHBondContact O-CA 3.47Å; V740-Q743 PolarHBondContact O-N 3.39Å; V740-Y745 HydrophobicContact CG1-CE1 4.41Å; V740-A748 HydrophobicContact CG2-CB 3.65Å; V740-I764 HydrophobicContact CG2-CD1 3.8Å; V740-I764 HydrophobicContact CG2-CG1 3.9Å |
| 741 | H | 87.6 | Confident | 88.1 | Confident | 164 Ų | 164 | 60.4 Ų | 60.4 | 76% | 0.759 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 178.8 | -175.2 | -77 | 0 | 0 | 0 | 112.4 | D737 Q743 | D737-H741 WeakPolarHBondContact O-CB 3.41Å; D737-H741 PolarHBondContact O-N 3.1Å; H741-Q743 PolarHBondContact O-N 2.86Å; H741-Q743 VanDerWaalsContact O-N 3.13Å |
| 742 | K | 87.4 | Confident | 88.2 | Confident | 141 Ų | 141 | 55.2 Ų | 55.2 | 61% | 0.613 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 1.8 | 173.6 | -72.7 | 176.3 | -178.4 | 176.2 | 0 | 113.5 | N738 L739 V740 M744 | N738-K742 WeakPolarHBondContact O-CB 3.49Å; N738-K742 VanDerWaalsContact O-CG 3.29Å; N738-K742 WeakPolarHBondContact O-CG 3.42Å; N738-K742 PolarHBondContact O-N 3Å; L739-K742 PolarHBondContact O-N 2.97Å; V740-K742 PolarHBondContact O-N 2.91Å; K742-M744 HydrophobicContact CB-CG 3.93Å; K742-M744 HydrophobicContact CB-SD 4.2Å; K742-M744 HydrophobicContact CD-SD 4.22Å; K742-M744 PolarHBondContact O-N 2.97Å |
| 743 | Q | 84.8 | Confident | 88.3 | Confident | 133 Ų | 133 | 53.1 Ų | 53.1 | 62% | 0.621 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 23.1 | -173.9 | -57.2 | 179.9 | -9 | 0 | 0 | 112.9 | L739 V740 H741 Y745 | L739-Q743 PolarHBondContact O-N 3.45Å; V740-Q743 WeakPolarHBondContact O-CA 3.47Å; V740-Q743 PolarHBondContact O-N 3.39Å; H741-Q743 PolarHBondContact O-N 2.86Å; H741-Q743 VanDerWaalsContact O-N 3.13Å; Q743-Y745 HydrophobicContact CB-CD2 4.26Å; Q743-Y745 HydrophobicContact CB-CE2 3.67Å; Q743-Y745 HydrophobicContact CG-CE2 4.11Å; Q743-Y745 WeakPolarHBondContact O-CD2 3.49Å; Q743-Y745 PolarHBondContact O-N 2.97Å |
| 744 | M | 86 | Confident | 88.2 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | trans | -84.6 | 62.4 | 175.2 | -65 | -178 | 76.9 | 0 | 0 | 109.4 | L739 K742 A746 D747 A748 | L739-M744 HydrophobicContact CD2-CB 4.25Å; L739-M744 HydrophobicContact CD2-SD 4.26Å; L739-M744 PolarHBondContact O-N 2.85Å; K742-M744 HydrophobicContact CB-CG 3.93Å; K742-M744 HydrophobicContact CB-SD 4.2Å; K742-M744 HydrophobicContact CD-SD 4.22Å; K742-M744 PolarHBondContact O-N 2.97Å; M744-A746 VanDerWaalsContact C-N 3.3Å; M744-A746 PolarHBondContact O-N 2.8Å; M744-D747 WeakPolarHBondContact CE-OD2 3.17Å; M744-D747 PolarHBondContact O-N 3.24Å; M744-A748 PolarHBondContact O-N 3.19Å | ||
| 745 | Y | 87.7 | Confident | 88.1 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 9% | 0.09 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -31.3 | -168.2 | -62.9 | -70.2 | 0 | 0 | 0 | 113.9 | V740 Q743 A748 V749 I764 L768 Q771 | V740-Y745 HydrophobicContact CG1-CE1 4.41Å; Q743-Y745 HydrophobicContact CB-CD2 4.26Å; Q743-Y745 HydrophobicContact CB-CE2 3.67Å; Q743-Y745 HydrophobicContact CG-CE2 4.11Å; Q743-Y745 WeakPolarHBondContact O-CD2 3.49Å; Q743-Y745 PolarHBondContact O-N 2.97Å; Y745-A748 PolarHBondContact O-N 3.08Å; Y745-V749 WeakPolarHBondContact O-CB 3.42Å; Y745-V749 VanDerWaalsContact O-CG2 3.26Å; Y745-V749 WeakPolarHBondContact O-CG2 3.34Å; Y745-V749 PolarHBondContact O-N 2.96Å; Y745-I764 HydrophobicContact CD1-CG2 3.91Å; Y745-L768 HydrophobicContact CD1-CD2 4.19Å; Y745-L768 HydrophobicContact CD1-CG 4.27Å; Y745-L768 HydrophobicContact CD2-CD2 3.42Å; Y745-L768 VanDerWaalsContact CD2-CD2 3.42Å; Y745-L768 HydrophobicContact CD2-CG 4.35Å; Y745-L768 HydrophobicContact CE2-CD2 3.87Å; Y745-L768 HydrophobicContact CG-CD1 4.31Å; Y745-L768 HydrophobicContact CG-CD2 3.59Å; Y745-L768 HydrophobicContact CG-CG 4.06Å; Y745-Q771 PolarHBondContact OH-NE2 3.2Å |
| 746 | A | 85.8 | Confident | 87.9 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 11% | 0.107 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | M744 V749 H750 V796 D799 | M744-A746 VanDerWaalsContact C-N 3.3Å; M744-A746 PolarHBondContact O-N 2.8Å; A746-V749 PolarHBondContact O-N 3.09Å; A746-H750 WeakPolarHBondContact O-CB 3.31Å; A746-H750 PolarHBondContact O-N 3.07Å; A746-V796 HydrophobicContact CB-CG1 4.22Å; A746-D799 HydrophobicContact CB-CB 3.98Å |
| 747 | D | 85.5 | Confident | 87.9 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -36.3 | 179.1 | -64 | -18.5 | 0 | 0 | 0 | 110.9 | L739 M744 H750 L751 K803 | L739-D747 HydrophobicContact CD1-CB 4.07Å; L739-D747 HydrophobicContact CD2-CB 3.93Å; M744-D747 WeakPolarHBondContact CE-OD2 3.17Å; M744-D747 PolarHBondContact O-N 3.24Å; D747-H750 PolarHBondContact O-N 3.42Å; D747-L751 WeakPolarHBondContact O-CB 2.97Å; D747-L751 PolarHBondContact O-N 2.81Å; D747-K803 VanDerWaalsContact OD1-CD 3.25Å; D747-K803 WeakPolarHBondContact OD1-CD 3.37Å; D747-K803 IonicContact OD1-NZ 2.68Å; D747-K803 PolarHBondContact OD1-NZ 2.78Å; D747-K803 IonicContact OD2-NZ 2.66Å; D747-K803 PolarHBondContact OD2-NZ 3.34Å |
| 748 | A | 90 | Very high | 88 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L736 L739 V740 M744 Y745 H750 L751 A752 I764 | L736-A748 HydrophobicContact CD1-CB 4.36Å; L736-A748 VanDerWaalsContact CD1-O 3.24Å; L736-A748 WeakPolarHBondContact CD1-O 3.23Å; L739-A748 HydrophobicContact CB-CB 3.96Å; V740-A748 HydrophobicContact CG2-CB 3.65Å; M744-A748 PolarHBondContact O-N 3.19Å; Y745-A748 PolarHBondContact O-N 3.08Å; A748-H750 VanDerWaalsContact C-N 3.34Å; A748-L751 PolarHBondContact O-N 2.79Å; A748-A752 VanDerWaalsContact O-CB 3.24Å; A748-A752 WeakPolarHBondContact O-CB 3.48Å; A748-A752 PolarHBondContact O-N 3.44Å; A748-I764 HydrophobicContact CB-CD1 4.06Å |
| 749 | V | 89.2 | Confident | 87.8 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | Y745 A746 A752 V753 T761 I764 L765 F800 | Y745-V749 WeakPolarHBondContact O-CB 3.42Å; Y745-V749 VanDerWaalsContact O-CG2 3.26Å; Y745-V749 WeakPolarHBondContact O-CG2 3.34Å; Y745-V749 PolarHBondContact O-N 2.96Å; A746-V749 PolarHBondContact O-N 3.09Å; V749-A752 PolarHBondContact O-N 2.81Å; V749-V753 HydrophobicContact CG1-CG2 4.26Å; V749-V753 WeakPolarHBondContact O-CB 3.42Å; V749-V753 WeakPolarHBondContact O-CG2 3.41Å; V749-V753 PolarHBondContact O-N 2.92Å; V749-T761 HydrophobicContact CG1-CG2 4.26Å; V749-I764 HydrophobicContact CG2-CB 4.44Å; V749-I764 HydrophobicContact CG2-CG2 3.7Å; V749-L765 HydrophobicContact CG2-CD2 4.36Å; V749-F800 HydrophobicContact CB-CD2 4.38Å; V749-F800 HydrophobicContact CG1-CD2 3.71Å; V749-F800 HydrophobicContact CG1-CE2 3.95Å; V749-F800 HydrophobicContact CG1-CG 4.44Å |
| 750 | H | 87 | Confident | 87.8 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 177.4 | -170.5 | -87.1 | 0 | 0 | 0 | 112.4 | A746 D747 A748 V753 K754 F800 L815 | A746-H750 WeakPolarHBondContact O-CB 3.31Å; A746-H750 PolarHBondContact O-N 3.07Å; D747-H750 PolarHBondContact O-N 3.42Å; A748-H750 VanDerWaalsContact C-N 3.34Å; H750-V753 PolarHBondContact O-N 3.35Å; H750-K754 WeakPolarHBondContact O-CB 3.2Å; H750-K754 PolarHBondContact O-N 2.83Å; H750-F800 HydrophobicContact CB-CD2 4.27Å; H750-L815 VanDerWaalsContact NE2-CD1 3.33Å; H750-L815 WeakPolarHBondContact NE2-CD1 3.38Å |
| 751 | L | 87.8 | Confident | 87.9 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.5 | -41.4 | 178.7 | -174.4 | 64.4 | 0 | 0 | 0 | 111.9 | E735 L736 L739 D747 A748 V753 K754 L755 | E735-L751 HydrophobicContact CB-CD2 4.32Å; L736-L751 HydrophobicContact CB-CD2 3.9Å; L736-L751 HydrophobicContact CD1-CB 4.01Å; L736-L751 HydrophobicContact CD1-CD2 4.07Å; L736-L751 HydrophobicContact CD1-CG 4.19Å; L739-L751 HydrophobicContact CD1-CB 4.48Å; L739-L751 HydrophobicContact CD1-CD2 4.02Å; D747-L751 WeakPolarHBondContact O-CB 2.97Å; D747-L751 PolarHBondContact O-N 2.81Å; A748-L751 PolarHBondContact O-N 2.79Å; L751-V753 PolarHBondContact O-N 3.28Å; L751-K754 PolarHBondContact O-N 3.39Å; L751-L755 HydrophobicContact CD1-CD1 4.23Å; L751-L755 HydrophobicContact CD1-CG 4.35Å; L751-L755 HydrophobicContact CG-CD1 4Å; L751-L755 HydrophobicContact CG-CG 4.47Å; L751-L755 WeakPolarHBondContact O-CB 3.34Å; L751-L755 WeakPolarHBondContact O-CG 3.45Å; L751-L755 PolarHBondContact O-N 2.66Å |
| 752 | A | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L736 A748 V749 L755 D756 Q757 T761 I764 | L736-A752 HydrophobicContact CD1-CB 4.03Å; L736-A752 HydrophobicContact CD2-CB 4.42Å; A748-A752 VanDerWaalsContact O-CB 3.24Å; A748-A752 WeakPolarHBondContact O-CB 3.48Å; A748-A752 PolarHBondContact O-N 3.44Å; V749-A752 PolarHBondContact O-N 2.81Å; A752-L755 PolarHBondContact O-N 3.31Å; A752-D756 PolarHBondContact O-N 2.74Å; A752-Q757 PolarHBondContact O-N 2.87Å; A752-T761 WeakPolarHBondContact CB-OG1 3.32Å; A752-I764 HydrophobicContact CB-CD1 4.38Å |
| 753 | V | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 176 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | V749 H750 L751 L755 D756 T761 F800 L815 R818 L819 Y822 | V749-V753 HydrophobicContact CG1-CG2 4.26Å; V749-V753 WeakPolarHBondContact O-CB 3.42Å; V749-V753 WeakPolarHBondContact O-CG2 3.41Å; V749-V753 PolarHBondContact O-N 2.92Å; H750-V753 PolarHBondContact O-N 3.35Å; L751-V753 PolarHBondContact O-N 3.28Å; V753-L755 VanDerWaalsContact C-N 3.31Å; V753-L755 PolarHBondContact O-N 3.23Å; V753-D756 PolarHBondContact O-N 3.25Å; V753-T761 HydrophobicContact CG2-CG2 3.92Å; V753-F800 HydrophobicContact CB-CE2 4.47Å; V753-F800 HydrophobicContact CG2-CE2 4.21Å; V753-F800 HydrophobicContact CG2-CZ 4.48Å; V753-L815 HydrophobicContact CB-CD2 4.31Å; V753-L815 HydrophobicContact CG1-CB 4.34Å; V753-L815 HydrophobicContact CG1-CD2 3.67Å; V753-R818 HydrophobicContact CG1-CB 4.04Å; V753-R818 HydrophobicContact CG1-CG 4.29Å; V753-R818 WeakPolarHBondContact O-CD 3.42Å; V753-L819 HydrophobicContact CG2-CD1 4.32Å; V753-Y822 HydrophobicContact CG1-CE2 4.33Å; V753-Y822 HydrophobicContact CG2-CE2 4.13Å |
| 754 | K | 86.2 | Confident | 88.5 | Confident | 135 Ų | 135 | 42.9 Ų | 42.9 | 59% | 0.587 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.2 | -38.4 | 175.1 | -173.3 | 174.7 | -178.5 | 173.4 | 0 | 112.5 | H750 L751 D756 | H750-K754 WeakPolarHBondContact O-CB 3.2Å; H750-K754 PolarHBondContact O-N 2.83Å; L751-K754 PolarHBondContact O-N 3.39Å; K754-D756 VanDerWaalsContact C-N 3.27Å; K754-D756 PolarHBondContact O-N 2.8Å |
| 755 | L | 86.3 | Confident | 88.6 | Confident | 63 Ų | 63 | 39 Ų | 39 | 33% | 0.33 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 7.7 | 177.7 | -66 | 175.3 | 0 | 0 | 0 | 114.3 | L751 A752 V753 Q757 | L751-L755 HydrophobicContact CD1-CD1 4.23Å; L751-L755 HydrophobicContact CD1-CG 4.35Å; L751-L755 HydrophobicContact CG-CD1 4Å; L751-L755 HydrophobicContact CG-CG 4.47Å; L751-L755 WeakPolarHBondContact O-CB 3.34Å; L751-L755 WeakPolarHBondContact O-CG 3.45Å; L751-L755 PolarHBondContact O-N 2.66Å; A752-L755 PolarHBondContact O-N 3.31Å; V753-L755 VanDerWaalsContact C-N 3.31Å; V753-L755 PolarHBondContact O-N 3.23Å; L755-Q757 VanDerWaalsContact C-N 3.34Å; L755-Q757 HydrophobicContact CB-CG 4.05Å; L755-Q757 PolarHBondContact O-N 3.05Å |
| 756 | D | 86.3 | Confident | 88.7 | Confident | 83 Ų | 83 | 41.1 Ų | 41.1 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 41.6 | -176.1 | -160.6 | 34.7 | 0 | 0 | 0 | 115.1 | A752 V753 K754 P758 R818 Y822 | A752-D756 PolarHBondContact O-N 2.74Å; V753-D756 PolarHBondContact O-N 3.25Å; K754-D756 VanDerWaalsContact C-N 3.27Å; K754-D756 PolarHBondContact O-N 2.8Å; D756-P758 VanDerWaalsContact C-CD 3.46Å; D756-P758 WeakPolarHBondContact O-CD 3.42Å; D756-R818 VanDerWaalsContact CG-CZ 3.48Å; D756-R818 IonicContact OD1-CZ 3.98Å; D756-R818 IonicContact OD1-NE 2.82Å; D756-R818 PolarHBondContact OD1-NE 2.88Å; D756-R818 IonicContact OD1-NH2 3.13Å; D756-R818 PolarHBondContact OD1-NH2 3.24Å; D756-R818 IonicContact OD2-CZ 2.72Å; D756-R818 IonicContact OD2-NH2 3.23Å; D756-R818 PolarHBondContact OD2-NH2 2.83Å; D756-Y822 WeakPolarHBondContact CA-OH 3.38Å; D756-Y822 PolarHBondContact OD1-OH 2.72Å |
| 757 | Q | 88.4 | Confident | 88.7 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | trans | -102.4 | 84 | -179.3 | -62.5 | -168.5 | 3.2 | 0 | 0 | 111.6 | Q733 A752 L755 K759 R760 T761 | Q733-Q757 VanDerWaalsContact OE1-NE2 3.11Å; A752-Q757 PolarHBondContact O-N 2.87Å; L755-Q757 VanDerWaalsContact C-N 3.34Å; L755-Q757 HydrophobicContact CB-CG 4.05Å; L755-Q757 PolarHBondContact O-N 3.05Å; Q757-K759 PolarHBondContact O-N 2.8Å; Q757-R760 HydrophobicContact CB-CB 3.87Å; Q757-R760 PolarHBondContact O-N 3.36Å; Q757-R760 VanDerWaalsContact OE1-CB 3.31Å; Q757-T761 WeakPolarHBondContact O-CB 3.44Å; Q757-T761 PolarHBondContact O-N 2.92Å; Q757-T761 PolarHBondContact O-OG1 2.88Å | ||
| 758 | P | 89.9 | Confident | 88.6 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.3 | -36.3 | -177.2 | 25.6 | -35.2 | 0 | 0 | 0 | 112.7 | D756 L762 Y822 W826 | D756-P758 VanDerWaalsContact C-CD 3.46Å; D756-P758 WeakPolarHBondContact O-CD 3.42Å; P758-L762 WeakPolarHBondContact O-CB 3.17Å; P758-L762 PolarHBondContact O-N 2.96Å; P758-Y822 HydrophobicContact CB-CD1 3.86Å; P758-Y822 HydrophobicContact CB-CD2 4.32Å; P758-Y822 HydrophobicContact CB-CE1 3.98Å; P758-Y822 HydrophobicContact CB-CE2 4.43Å; P758-Y822 HydrophobicContact CB-CG 4.05Å; P758-W826 VanDerWaalsContact O-CZ2 3.28Å; P758-W826 WeakPolarHBondContact O-CZ2 3.12Å |
| 759 | K | 90 | Very high | 88.3 | Confident | 159 Ų | 159 | 44.3 Ų | 44.3 | 69% | 0.691 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.2 | -47.4 | 178.1 | -173 | -177.9 | 175.8 | -172.4 | 0 | 111.1 | Q757 T761 L762 D763 | Q757-K759 PolarHBondContact O-N 2.8Å; K759-T761 VanDerWaalsContact C-N 3.33Å; K759-T761 PolarHBondContact O-N 2.85Å; K759-L762 WeakPolarHBondContact O-CB 3.12Å; K759-L762 PolarHBondContact O-N 2.87Å; K759-D763 PolarHBondContact O-N 2.81Å |
| 760 | R | 88.8 | Confident | 87.9 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 28% | 0.275 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 179.7 | -159.4 | 71 | 177.8 | 120.5 | -2.6 | 111.6 | L736 D737 Q757 D763 I764 | L736-R760 HydrophobicContact CD2-CG 3.81Å; D737-R760 IonicContact OD1-CZ 3.59Å; D737-R760 IonicContact OD1-NE 3.12Å; D737-R760 IonicContact OD1-NH2 3.83Å; D737-R760 PolarHBondContact OD1-NH2 2.86Å; Q757-R760 HydrophobicContact CB-CB 3.87Å; Q757-R760 PolarHBondContact O-N 3.36Å; Q757-R760 VanDerWaalsContact OE1-CB 3.31Å; R760-D763 PolarHBondContact O-N 2.92Å; R760-I764 HydrophobicContact CG-CD1 4.43Å; R760-I764 WeakPolarHBondContact O-CD1 3.14Å; R760-I764 VanDerWaalsContact O-CG1 3.25Å; R760-I764 WeakPolarHBondContact O-CG1 3.3Å; R760-I764 PolarHBondContact O-N 3.26Å |
| 761 | T | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 173.8 | -53 | 0 | 0 | 0 | 0 | 111.5 | V749 A752 V753 Q757 K759 I764 L765 L819 W826 | V749-T761 HydrophobicContact CG1-CG2 4.26Å; A752-T761 WeakPolarHBondContact CB-OG1 3.32Å; V753-T761 HydrophobicContact CG2-CG2 3.92Å; Q757-T761 WeakPolarHBondContact O-CB 3.44Å; Q757-T761 PolarHBondContact O-N 2.92Å; Q757-T761 PolarHBondContact O-OG1 2.88Å; K759-T761 VanDerWaalsContact C-N 3.33Å; K759-T761 PolarHBondContact O-N 2.85Å; T761-I764 PolarHBondContact O-N 3.17Å; T761-L765 HydrophobicContact CG2-CD1 4.33Å; T761-L765 WeakPolarHBondContact O-CG 3.29Å; T761-L765 PolarHBondContact O-N 3.38Å; T761-L765 VanDerWaalsContact O-N 3.1Å; T761-L819 HydrophobicContact CG2-CD1 4.11Å; T761-W826 HydrophobicContact CG2-CH2 4Å |
| 762 | L | 91.9 | Very high | 86.8 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 175.1 | 178.6 | 75.6 | 0 | 0 | 0 | 111.2 | P758 K759 I764 L765 Q766 W826 T832 I835 | P758-L762 WeakPolarHBondContact O-CB 3.17Å; P758-L762 PolarHBondContact O-N 2.96Å; K759-L762 WeakPolarHBondContact O-CB 3.12Å; K759-L762 PolarHBondContact O-N 2.87Å; L762-I764 VanDerWaalsContact C-N 3.27Å; L762-I764 PolarHBondContact O-N 3.2Å; L762-L765 PolarHBondContact O-N 2.88Å; L762-L765 VanDerWaalsContact O-N 3.14Å; L762-Q766 WeakPolarHBondContact O-CB 3.46Å; L762-Q766 PolarHBondContact O-N 3.13Å; L762-W826 HydrophobicContact CB-CH2 4.42Å; L762-W826 HydrophobicContact CB-CZ2 3.72Å; L762-W826 HydrophobicContact CD1-CD2 3.72Å; L762-W826 HydrophobicContact CD1-CE3 4.12Å; L762-W826 HydrophobicContact CD1-CG 3.95Å; L762-W826 HydrophobicContact CD1-CZ2 4.34Å; L762-T832 HydrophobicContact CD1-CG2 4.04Å; L762-T832 HydrophobicContact CD2-CG2 3.61Å; L762-T832 HydrophobicContact CG-CG2 4.41Å; L762-I835 HydrophobicContact CD1-CB 4.35Å; L762-I835 HydrophobicContact CD1-CD1 3.75Å; L762-I835 HydrophobicContact CD1-CG2 4.22Å |
| 763 | D | 90.1 | Very high | 85.9 | Confident | 55 Ų | 55 | 51.1 Ų | 51.1 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.7 | -40.6 | -177.9 | -62.8 | -23 | 0 | 0 | 0 | 111 | K759 R760 Q766 E767 | K759-D763 PolarHBondContact O-N 2.81Å; R760-D763 PolarHBondContact O-N 2.92Å; D763-Q766 PolarHBondContact O-N 2.81Å; D763-E767 WeakPolarHBondContact O-CB 3.44Å; D763-E767 PolarHBondContact O-N 3.09Å |
| 764 | I | 89.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.9 | -65.8 | 163.1 | 0 | 0 | 0 | 111.4 | V740 Y745 A748 V749 A752 R760 T761 L762 Q766 E767 L768 | V740-I764 HydrophobicContact CG2-CD1 3.8Å; V740-I764 HydrophobicContact CG2-CG1 3.9Å; Y745-I764 HydrophobicContact CD1-CG2 3.91Å; A748-I764 HydrophobicContact CB-CD1 4.06Å; V749-I764 HydrophobicContact CG2-CB 4.44Å; V749-I764 HydrophobicContact CG2-CG2 3.7Å; A752-I764 HydrophobicContact CB-CD1 4.38Å; R760-I764 HydrophobicContact CG-CD1 4.43Å; R760-I764 WeakPolarHBondContact O-CD1 3.14Å; R760-I764 VanDerWaalsContact O-CG1 3.25Å; R760-I764 WeakPolarHBondContact O-CG1 3.3Å; R760-I764 PolarHBondContact O-N 3.26Å; T761-I764 PolarHBondContact O-N 3.17Å; L762-I764 VanDerWaalsContact C-N 3.27Å; L762-I764 PolarHBondContact O-N 3.2Å; I764-Q766 VanDerWaalsContact C-N 3.28Å; I764-Q766 PolarHBondContact O-N 2.77Å; I764-E767 PolarHBondContact O-N 3.18Å; I764-L768 HydrophobicContact CG2-CD1 4.44Å; I764-L768 WeakPolarHBondContact O-CG 3.32Å; I764-L768 PolarHBondContact O-N 2.67Å |
| 765 | L | 89.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.4 | -32.3 | 177.5 | -68.4 | 173.7 | 0 | 0 | 0 | 112.3 | V749 T761 L762 L768 L769 L797 W826 I835 V839 | V749-L765 HydrophobicContact CG2-CD2 4.36Å; T761-L765 HydrophobicContact CG2-CD1 4.33Å; T761-L765 WeakPolarHBondContact O-CG 3.29Å; T761-L765 PolarHBondContact O-N 3.38Å; T761-L765 VanDerWaalsContact O-N 3.1Å; L762-L765 PolarHBondContact O-N 2.88Å; L762-L765 VanDerWaalsContact O-N 3.14Å; L765-L768 HydrophobicContact CD2-CD1 4.33Å; L765-L769 WeakPolarHBondContact O-CB 3.4Å; L765-L769 PolarHBondContact O-N 2.82Å; L765-L797 HydrophobicContact CD2-CD2 4.17Å; L765-W826 HydrophobicContact CD1-CH2 3.87Å; L765-W826 HydrophobicContact CD1-CZ3 3.76Å; L765-I835 HydrophobicContact CB-CG2 3.79Å; L765-I835 HydrophobicContact CD1-CG2 3.85Å; L765-I835 HydrophobicContact CG-CG2 4.47Å; L765-V839 HydrophobicContact CD1-CG2 4.05Å |
| 766 | Q | 88.4 | Confident | 82.3 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.6 | -43.5 | 179.3 | -156.2 | 153.6 | 60.4 | 0 | 0 | 110.7 | L762 D763 I764 L769 T770 I835 | L762-Q766 WeakPolarHBondContact O-CB 3.46Å; L762-Q766 PolarHBondContact O-N 3.13Å; D763-Q766 PolarHBondContact O-N 2.81Å; I764-Q766 VanDerWaalsContact C-N 3.28Å; I764-Q766 PolarHBondContact O-N 2.77Å; Q766-L769 PolarHBondContact O-N 3.06Å; Q766-T770 WeakPolarHBondContact O-CG2 3.08Å; Q766-T770 PolarHBondContact O-N 2.68Å; Q766-I835 HydrophobicContact CB-CD1 3.48Å; Q766-I835 VanDerWaalsContact CB-CD1 3.48Å; Q766-I835 HydrophobicContact CG-CD1 3.61Å |
| 767 | E | 85.9 | Confident | 80.9 | Confident | 93 Ų | 93 | 54.4 Ų | 54.4 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 170.8 | -179.2 | 59.1 | -150.3 | 0 | 0 | 111.1 | D763 I764 L769 T770 Q771 | D763-E767 WeakPolarHBondContact O-CB 3.44Å; D763-E767 PolarHBondContact O-N 3.09Å; I764-E767 PolarHBondContact O-N 3.18Å; E767-L769 VanDerWaalsContact C-N 3.33Å; E767-L769 PolarHBondContact O-N 2.83Å; E767-T770 PolarHBondContact O-N 2.69Å; E767-T770 PolarHBondContact O-OG1 3.25Å; E767-Q771 WeakPolarHBondContact O-CG 3.31Å; E767-Q771 PolarHBondContact O-N 3.16Å; E767-Q771 PolarHBondContact OE1-NE2 3.29Å |
| 768 | L | 84.7 | Confident | 79.2 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 175.4 | -77.8 | 170.6 | 0 | 0 | 0 | 112.9 | Y745 I764 L765 T770 Q771 D772 L793 V796 | Y745-L768 HydrophobicContact CD1-CD2 4.19Å; Y745-L768 HydrophobicContact CD1-CG 4.27Å; Y745-L768 HydrophobicContact CD2-CD2 3.42Å; Y745-L768 VanDerWaalsContact CD2-CD2 3.42Å; Y745-L768 HydrophobicContact CD2-CG 4.35Å; Y745-L768 HydrophobicContact CE2-CD2 3.87Å; Y745-L768 HydrophobicContact CG-CD1 4.31Å; Y745-L768 HydrophobicContact CG-CD2 3.59Å; Y745-L768 HydrophobicContact CG-CG 4.06Å; I764-L768 HydrophobicContact CG2-CD1 4.44Å; I764-L768 WeakPolarHBondContact O-CG 3.32Å; I764-L768 PolarHBondContact O-N 2.67Å; L765-L768 HydrophobicContact CD2-CD1 4.33Å; L768-T770 VanDerWaalsContact C-N 3.35Å; L768-T770 PolarHBondContact O-N 3.2Å; L768-Q771 PolarHBondContact O-N 3.46Å; L768-D772 PolarHBondContact O-N 3.41Å; L768-D772 VanDerWaalsContact O-N 3.09Å; L768-L793 HydrophobicContact CB-CD1 4.33Å; L768-V796 HydrophobicContact CD1-CB 4.11Å; L768-V796 HydrophobicContact CD1-CG1 3.83Å; L768-V796 HydrophobicContact CD1-CG2 4.14Å; L768-V796 HydrophobicContact CD2-CG2 4.07Å |
| 769 | L | 82.9 | Confident | 77.4 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 178.6 | -176.8 | 65.3 | 0 | 0 | 0 | 111.8 | L765 Q766 E767 Q771 D772 L773 A790 L793 M834 I835 F838 | L765-L769 WeakPolarHBondContact O-CB 3.4Å; L765-L769 PolarHBondContact O-N 2.82Å; Q766-L769 PolarHBondContact O-N 3.06Å; E767-L769 VanDerWaalsContact C-N 3.33Å; E767-L769 PolarHBondContact O-N 2.83Å; L769-Q771 VanDerWaalsContact C-N 3.35Å; L769-D772 PolarHBondContact O-N 3.09Å; L769-L773 HydrophobicContact CG-CD1 4.44Å; L769-L773 WeakPolarHBondContact O-CG 3.36Å; L769-L773 PolarHBondContact O-N 2.98Å; L769-A790 HydrophobicContact CD1-CB 4.4Å; L769-L793 HydrophobicContact CB-CD1 4.19Å; L769-M834 HydrophobicContact CD2-CB 4.5Å; L769-M834 HydrophobicContact CD2-CG 4.09Å; L769-I835 HydrophobicContact CD2-CG1 4.1Å; L769-F838 HydrophobicContact CD1-CD2 4.03Å; L769-F838 HydrophobicContact CD1-CE2 3.48Å; L769-F838 VanDerWaalsContact CD1-CE2 3.48Å; L769-F838 HydrophobicContact CD1-CZ 4.06Å; L769-F838 HydrophobicContact CD2-CD2 4.47Å; L769-F838 HydrophobicContact CD2-CE2 4.29Å |
| 770 | T | 81.1 | Confident | 75 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 176.4 | 59.5 | 0 | 0 | 0 | 0 | 112.3 | Q766 E767 L768 D772 L773 V774 | Q766-T770 WeakPolarHBondContact O-CG2 3.08Å; Q766-T770 PolarHBondContact O-N 2.68Å; E767-T770 PolarHBondContact O-N 2.69Å; E767-T770 PolarHBondContact O-OG1 3.25Å; L768-T770 VanDerWaalsContact C-N 3.35Å; L768-T770 PolarHBondContact O-N 3.2Å; T770-D772 VanDerWaalsContact C-N 3.33Å; T770-D772 PolarHBondContact O-N 3.13Å; T770-L773 PolarHBondContact O-N 2.96Å; T770-V774 WeakPolarHBondContact O-CG2 3.31Å; T770-V774 PolarHBondContact O-N 2.94Å; T770-V774 VanDerWaalsContact O-N 3.13Å |
| 771 | Q | 76.9 | Confident | 73.1 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.7 | -34.9 | 176.1 | -69.4 | -178.7 | 12.1 | 0 | 0 | 112.7 | Y745 E767 L768 L769 K775 | Y745-Q771 PolarHBondContact OH-NE2 3.2Å; E767-Q771 WeakPolarHBondContact O-CG 3.31Å; E767-Q771 PolarHBondContact O-N 3.16Å; E767-Q771 PolarHBondContact OE1-NE2 3.29Å; L768-Q771 PolarHBondContact O-N 3.46Å; L769-Q771 VanDerWaalsContact C-N 3.35Å; Q771-K775 WeakPolarHBondContact O-CG 2.96Å; Q771-K775 PolarHBondContact O-N 3.45Å; Q771-K775 VanDerWaalsContact O-N 3.16Å |
| 772 | D | 74 | Confident | 70.8 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.043 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 174.7 | -81.4 | -22.3 | 0 | 0 | 0 | 112 | L768 L769 T770 V774 K775 E776 A790 N792 L793 | L768-D772 PolarHBondContact O-N 3.41Å; L768-D772 VanDerWaalsContact O-N 3.09Å; L769-D772 PolarHBondContact O-N 3.09Å; T770-D772 VanDerWaalsContact C-N 3.33Å; T770-D772 PolarHBondContact O-N 3.13Å; D772-V774 VanDerWaalsContact C-N 3.33Å; D772-V774 PolarHBondContact O-N 3.1Å; D772-K775 PolarHBondContact O-N 3.14Å; D772-E776 PolarHBondContact O-N 3.14Å; D772-A790 HydrophobicContact CB-CB 4.19Å; D772-N792 WeakPolarHBondContact OD1-CB 3.39Å; D772-N792 PolarHBondContact OD1-N 2.92Å; D772-N792 PolarHBondContact OD1-ND2 3.02Å; D772-N792 PolarHBondContact OD2-N 2.73Å; D772-L793 WeakPolarHBondContact OD2-CB 3.19Å; D772-L793 PolarHBondContact OD2-N 2.87Å |
| 773 | L | 71.6 | Confident | 68.2 | Low | 95 Ų | 95 | 78.9 Ų | 78.9 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 178.7 | -69 | 166.5 | 0 | 0 | 0 | 112.8 | L769 T770 T777 | L769-L773 HydrophobicContact CG-CD1 4.44Å; L769-L773 WeakPolarHBondContact O-CG 3.36Å; L769-L773 PolarHBondContact O-N 2.98Å; T770-L773 PolarHBondContact O-N 2.96Å; L773-T777 PolarHBondContact O-N 2.84Å; L773-T777 PolarHBondContact O-OG1 3.31Å; L773-T777 VanDerWaalsContact O-OG1 3.09Å |
| 774 | V | 67.9 | Low | 65.5 | Low | 91 Ų | 91 | 85.2 Ų | 85.2 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.6 | -35.6 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | T770 D772 T777 C778 | T770-V774 WeakPolarHBondContact O-CG2 3.31Å; T770-V774 PolarHBondContact O-N 2.94Å; T770-V774 VanDerWaalsContact O-N 3.13Å; D772-V774 VanDerWaalsContact C-N 3.33Å; D772-V774 PolarHBondContact O-N 3.1Å; V774-T777 PolarHBondContact O-OG1 3.45Å; V774-C778 PolarHBondContact O-SG 2.75Å |
| 775 | K | 63.2 | Low | 62.7 | Low | 103 Ų | 103 | 93.6 Ų | 93.6 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -32.3 | 178.5 | -74.6 | 173.5 | -172 | 172.8 | 0 | 112.8 | Q771 D772 N792 | Q771-K775 WeakPolarHBondContact O-CG 2.96Å; Q771-K775 PolarHBondContact O-N 3.45Å; Q771-K775 VanDerWaalsContact O-N 3.16Å; D772-K775 PolarHBondContact O-N 3.14Å; K775-N792 PolarHBondContact NZ-ND2 2.75Å |
| 776 | E | 56.9 | Low | 60.4 | Low | 56 Ų | 56 | 101.9 Ų | 101.9 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.6 | -40.6 | 179.6 | -73.2 | -176.6 | 162.3 | 0 | 0 | 113 | D772 C778 K779 N780 P787 | D772-E776 PolarHBondContact O-N 3.14Å; E776-C778 PolarHBondContact O-N 3.29Å; E776-K779 PolarHBondContact O-N 2.81Å; E776-N780 PolarHBondContact O-N 2.86Å; E776-P787 WeakPolarHBondContact OE2-CB 3.47Å |
| 777 | T | 55.9 | Low | 58.5 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -33.2 | 176.2 | 41.4 | 0 | 0 | 0 | 0 | 112.5 | L773 V774 K779 | L773-T777 PolarHBondContact O-N 2.84Å; L773-T777 PolarHBondContact O-OG1 3.31Å; L773-T777 VanDerWaalsContact O-OG1 3.09Å; V774-T777 PolarHBondContact O-OG1 3.45Å; T777-K779 PolarHBondContact O-N 2.91Å |
| 778 | C | 52.6 | Low | 56.6 | Low | 104 Ų | 104 | 104.2 Ų | 104.2 | 70% | 0.703 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.5 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 114.7 | V774 E776 | V774-C778 PolarHBondContact O-SG 2.75Å; E776-C778 PolarHBondContact O-N 3.29Å |
| 779 | K | 52.7 | Low | 55.2 | Low | 173 Ų | 173 | 111.8 Ų | 111.8 | 75% | 0.752 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -32.5 | -174.5 | -74.1 | -177.4 | 179.9 | 179.2 | 0 | 114.1 | E776 T777 | E776-K779 PolarHBondContact O-N 2.81Å; T777-K779 PolarHBondContact O-N 2.91Å |
| 780 | N | 39.8 | Very low | 54.2 | Low | 99 Ų | 99 | 111.6 Ų | 111.6 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | trans | -110.2 | 71.1 | -170.6 | -72.7 | -9 | 0 | 0 | 0 | 112.8 | E776 Q782 | E776-N780 PolarHBondContact O-N 2.86Å; N780-Q782 VanDerWaalsContact C-N 3.27Å | ||
| 781 | N | 48.9 | Very low | 53.6 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 85% | 0.845 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -85.7 | 5.8 | 162.8 | -92.4 | -11.1 | 0 | 0 | 0 | 113.2 | ||
| 782 | Q | 42.8 | Very low | 53.4 | Low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.794 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -136.1 | 112.5 | 177.5 | -64.9 | -176.6 | -2.7 | 0 | 0 | 109.6 | N780 | N780-Q782 VanDerWaalsContact C-N 3.27Š|
| 783 | N | 36.3 | Very low | 53.7 | Low | 148 Ų | 148 | 110.9 Ų | 110.9 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | trans | 71 | 94.2 | -179.2 | -59.4 | -22.8 | 0 | 0 | 0 | 116 | K785 | N783-K785 VanDerWaalsContact C-N 3.32Å; N783-K785 PolarHBondContact O-N 2.71Å | ||
| 784 | M | 33.2 | Very low | 53.9 | Low | 188 Ų | 188 | 109.9 Ų | 109.9 | 93% | 0.926 | 57% | 0.573 | S | S | * | * | trans | -59.2 | 86.4 | 166 | -72.5 | -83.8 | -90.4 | 0 | 0 | 110.8 | ||||
| 785 | K | 31.4 | Very low | 54.5 | Low | 179 Ų | 179 | 107.9 Ų | 107.9 | 78% | 0.778 | 56% | 0.563 | S | S | * | * | trans | -100.4 | 127 | 150.4 | -75.3 | -175.7 | 177.2 | -179.1 | 0 | 106.3 | N783 | N783-K785 VanDerWaalsContact C-N 3.32Å; N783-K785 PolarHBondContact O-N 2.71Å | ||
| 786 | Y | 41 | Very low | 55.4 | Low | 174 Ų | 174 | 103.7 Ų | 103.7 | 68% | 0.682 | 55% | 0.546 | S | S | * | . | trans | -39.5 | 143.7 | -177.1 | -66.5 | -85.8 | 0 | 0 | 0 | 113.1 | T788 | Y786-T788 VanDerWaalsContact C-N 3.33Å; Y786-T788 PolarHBondContact O-N 3.16Å | ||
| 787 | P | 49 | Very low | 56.6 | Low | 92 Ų | 92 | 101.1 Ų | 101.1 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | trans | -62.7 | 90 | -175.9 | 25.6 | -33.9 | 0 | 0 | 0 | 110.5 | E776 Q789 | E776-P787 WeakPolarHBondContact OE2-CB 3.47Å; P787-Q789 PolarHBondContact O-N 3.43Å | ||
| 788 | T | 47 | Very low | 57.7 | Low | 116 Ų | 116 | 97.9 Ų | 97.9 | 71% | 0.712 | 51% | 0.513 | S | S | * | . | trans | -93.7 | 98.4 | 176.5 | 51.1 | 0 | 0 | 0 | 0 | 108.1 | Y786 | Y786-T788 VanDerWaalsContact C-N 3.33Å; Y786-T788 PolarHBondContact O-N 3.16Å | ||
| 789 | Q | 54.1 | Low | 58.9 | Low | 163 Ų | 163 | 96 Ų | 96 | 76% | 0.762 | 50% | 0.496 | S | S | * | . | trans | 110 | 97.6 | 160.6 | -57.9 | 167.3 | 10.6 | 0 | 0 | 115.9 | P787 G791 | P787-Q789 PolarHBondContact O-N 3.43Å; Q789-G791 VanDerWaalsContact C-N 3.28Å; Q789-G791 PolarHBondContact O-N 3.33Å | ||
| 790 | A | 62.8 | Low | 60.1 | Low | 17 Ų | 17 | 88.1 Ų | 88.1 | 14% | 0.14 | 46% | 0.462 | C | S | . | . | trans | -61.7 | 85.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L769 D772 L794 F838 | L769-A790 HydrophobicContact CD1-CB 4.4Å; D772-A790 HydrophobicContact CB-CB 4.19Å; A790-L794 PolarHBondContact O-N 3.02Å; A790-F838 HydrophobicContact CB-CE1 4.04Å; A790-F838 HydrophobicContact CB-CZ 4.12Å | ||
| 791 | G | 67.6 | Low | 61.6 | Low | 43 Ų | 43 | 84.2 Ų | 84.2 | 44% | 0.443 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q789 S795 | Q789-G791 VanDerWaalsContact C-N 3.28Å; Q789-G791 PolarHBondContact O-N 3.33Å; G791-S795 WeakPolarHBondContact O-CB 3.46Å; G791-S795 PolarHBondContact O-N 3.28Å |
| 792 | N | 73.6 | Confident | 62.4 | Low | 57 Ų | 57 | 81.5 Ų | 81.5 | 31% | 0.305 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74 | -41.2 | -177.6 | -55.9 | -46.6 | 0 | 0 | 0 | 111.1 | D772 K775 L794 S795 V796 | D772-N792 WeakPolarHBondContact OD1-CB 3.39Å; D772-N792 PolarHBondContact OD1-N 2.92Å; D772-N792 PolarHBondContact OD1-ND2 3.02Å; D772-N792 PolarHBondContact OD2-N 2.73Å; K775-N792 PolarHBondContact NZ-ND2 2.75Å; N792-L794 VanDerWaalsContact C-N 3.31Å; N792-L794 PolarHBondContact O-N 2.72Å; N792-S795 WeakPolarHBondContact CA-OG 3.4Å; N792-S795 PolarHBondContact O-N 2.62Å; N792-S795 VanDerWaalsContact O-N 3.14Å; N792-S795 PolarHBondContact O-OG 3.15Å; N792-V796 WeakPolarHBondContact O-CG2 3.35Å; N792-V796 PolarHBondContact O-N 2.81Å |
| 793 | L | 79.1 | Confident | 63 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 176.3 | -175.4 | 133.4 | 0 | 0 | 0 | 111.9 | L768 L769 D772 V796 L797 F838 | L768-L793 HydrophobicContact CB-CD1 4.33Å; L769-L793 HydrophobicContact CB-CD1 4.19Å; D772-L793 WeakPolarHBondContact OD2-CB 3.19Å; D772-L793 PolarHBondContact OD2-N 2.87Å; L793-V796 PolarHBondContact O-N 3.45Å; L793-L797 HydrophobicContact CD2-CD1 3.77Å; L793-L797 HydrophobicContact CG-CD1 4.41Å; L793-L797 WeakPolarHBondContact O-CG 3.43Å; L793-L797 PolarHBondContact O-N 3.38Å; L793-L797 VanDerWaalsContact O-N 3.07Å; L793-F838 HydrophobicContact CD2-CB 3.87Å; L793-F838 HydrophobicContact CD2-CD1 4.33Å; L793-F838 HydrophobicContact CD2-CG 4.16Å |
| 794 | L | 76.9 | Confident | 63.8 | Low | 74 Ų | 74 | 71.6 Ų | 71.6 | 39% | 0.387 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 175.8 | -161.7 | 73.5 | 0 | 0 | 0 | 111.7 | A790 N792 V796 L797 D798 W842 | A790-L794 PolarHBondContact O-N 3.02Å; N792-L794 VanDerWaalsContact C-N 3.31Å; N792-L794 PolarHBondContact O-N 2.72Å; L794-V796 PolarHBondContact O-N 3.45Å; L794-L797 PolarHBondContact O-N 3.2Å; L794-D798 WeakPolarHBondContact O-CB 3.4Å; L794-D798 PolarHBondContact O-N 2.75Å; L794-W842 HydrophobicContact CD1-CB 4.1Å; L794-W842 VanDerWaalsContact CD1-CD1 3.49Å; L794-W842 HydrophobicContact CD1-CG 4.16Å |
| 795 | S | 80.6 | Confident | 64.3 | Low | 49 Ų | 49 | 68 Ų | 68 | 34% | 0.343 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 113 | G791 N792 D798 D799 | G791-S795 WeakPolarHBondContact O-CB 3.46Å; G791-S795 PolarHBondContact O-N 3.28Å; N792-S795 WeakPolarHBondContact CA-OG 3.4Å; N792-S795 PolarHBondContact O-N 2.62Å; N792-S795 VanDerWaalsContact O-N 3.14Å; N792-S795 PolarHBondContact O-OG 3.15Å; S795-D798 PolarHBondContact O-N 3.23Å; S795-D799 WeakPolarHBondContact O-CB 3.17Å; S795-D799 PolarHBondContact O-N 2.03Å |
| 796 | V | 81.2 | Confident | 65.4 | Low | 15 Ų | 15 | 67 Ų | 67 | 9% | 0.091 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.1 | -40 | 178.2 | 171.1 | 0 | 0 | 0 | 0 | 111 | A746 L768 N792 L793 L794 D799 F800 | A746-V796 HydrophobicContact CB-CG1 4.22Å; L768-V796 HydrophobicContact CD1-CB 4.11Å; L768-V796 HydrophobicContact CD1-CG1 3.83Å; L768-V796 HydrophobicContact CD1-CG2 4.14Å; L768-V796 HydrophobicContact CD2-CG2 4.07Å; N792-V796 WeakPolarHBondContact O-CG2 3.35Å; N792-V796 PolarHBondContact O-N 2.81Å; L793-V796 PolarHBondContact O-N 3.45Å; L794-V796 PolarHBondContact O-N 3.45Å; V796-D799 PolarHBondContact O-N 3.17Å; V796-F800 WeakPolarHBondContact O-CB 3.41Å; V796-F800 PolarHBondContact O-N 2.71Å |
| 797 | L | 81.7 | Confident | 65.9 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 174.3 | -70.1 | 173.7 | 0 | 0 | 0 | 111.8 | L765 L793 L794 D799 F800 V801 L819 W842 | L765-L797 HydrophobicContact CD2-CD2 4.17Å; L793-L797 HydrophobicContact CD2-CD1 3.77Å; L793-L797 HydrophobicContact CG-CD1 4.41Å; L793-L797 WeakPolarHBondContact O-CG 3.43Å; L793-L797 PolarHBondContact O-N 3.38Å; L793-L797 VanDerWaalsContact O-N 3.07Å; L794-L797 PolarHBondContact O-N 3.2Å; L797-D799 VanDerWaalsContact C-N 3.35Å; L797-F800 WeakPolarHBondContact O-CB 3.32Å; L797-F800 PolarHBondContact O-N 3.01Å; L797-V801 PolarHBondContact O-N 3.37Å; L797-L819 HydrophobicContact CD2-CD2 4.1Å; L797-W842 HydrophobicContact CB-CD2 3.69Å; L797-W842 HydrophobicContact CB-CE3 4.3Å; L797-W842 HydrophobicContact CB-CG 3.9Å; L797-W842 HydrophobicContact CB-CZ2 4.04Å; L797-W842 HydrophobicContact CD1-CB 3.89Å; L797-W842 HydrophobicContact CD1-CD2 4.02Å; L797-W842 HydrophobicContact CD1-CE3 4.33Å; L797-W842 HydrophobicContact CD1-CG 3.79Å; L797-W842 HydrophobicContact CD2-CE3 4.45Å; L797-W842 HydrophobicContact CG-CD2 4.33Å; L797-W842 HydrophobicContact CG-CG 4.46Å; L797-W842 WeakPolarHBondContact O-CZ2 3.41Å |
| 798 | D | 80 | Confident | 66.4 | Low | 32 Ų | 32 | 64.9 Ų | 64.9 | 17% | 0.171 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 172.9 | -81.9 | -9.8 | 0 | 0 | 0 | 112 | L794 S795 V801 K802 W842 | L794-D798 WeakPolarHBondContact O-CB 3.4Å; L794-D798 PolarHBondContact O-N 2.75Å; S795-D798 PolarHBondContact O-N 3.23Å; D798-V801 PolarHBondContact O-N 2.95Å; D798-K802 WeakPolarHBondContact O-CG 3.46Å; D798-K802 PolarHBondContact O-N 3.21Å; D798-W842 PolarHBondContact OD1-NE1 3.11Å |
| 799 | D | 78.1 | Confident | 66.8 | Low | 65 Ų | 65 | 65.1 Ų | 65.1 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -73.7 | -30.4 | 178.5 | -73.7 | -5.9 | 0 | 0 | 0 | 112.8 | A746 S795 V796 L797 V801 K802 K803 | A746-D799 HydrophobicContact CB-CB 3.98Å; S795-D799 WeakPolarHBondContact O-CB 3.17Å; S795-D799 PolarHBondContact O-N 2.03Å; V796-D799 PolarHBondContact O-N 3.17Å; L797-D799 VanDerWaalsContact C-N 3.35Å; D799-V801 PolarHBondContact O-N 2.83Å; D799-K802 PolarHBondContact O-N 3.11Å; D799-K802 IonicContact OD1-NZ 3.45Å; D799-K802 PolarHBondContact OD1-NZ 3.32Å; D799-K802 VanDerWaalsContact OD1-NZ 3.13Å; D799-K803 PolarHBondContact O-N 2.93Å |
| 800 | F | 76.2 | Confident | 67.3 | Low | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.4 | -38.1 | 168.6 | 165.6 | -95.7 | 0 | 0 | 0 | 111.4 | V749 H750 V753 V796 L797 L815 L819 W842 | V749-F800 HydrophobicContact CB-CD2 4.38Å; V749-F800 HydrophobicContact CG1-CD2 3.71Å; V749-F800 HydrophobicContact CG1-CE2 3.95Å; V749-F800 HydrophobicContact CG1-CG 4.44Å; H750-F800 HydrophobicContact CB-CD2 4.27Å; V753-F800 HydrophobicContact CB-CE2 4.47Å; V753-F800 HydrophobicContact CG2-CE2 4.21Å; V753-F800 HydrophobicContact CG2-CZ 4.48Å; V796-F800 WeakPolarHBondContact O-CB 3.41Å; V796-F800 PolarHBondContact O-N 2.71Å; L797-F800 WeakPolarHBondContact O-CB 3.32Å; L797-F800 PolarHBondContact O-N 3.01Å; F800-L815 HydrophobicContact CZ-CB 3.94Å; F800-L819 HydrophobicContact CE1-CD2 4.21Å; F800-W842 HydrophobicContact CD1-CH2 4.11Å; F800-W842 HydrophobicContact CE1-CH2 4.48Å |
| 801 | V | 71.4 | Confident | 67.6 | Low | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -83.8 | -40.9 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | L797 D798 D799 K803 S804 H805 W842 W847 | L797-V801 PolarHBondContact O-N 3.37Å; D798-V801 PolarHBondContact O-N 2.95Å; D799-V801 PolarHBondContact O-N 2.83Å; V801-K803 VanDerWaalsContact C-N 3.31Å; V801-K803 PolarHBondContact O-N 3.22Å; V801-S804 WeakPolarHBondContact O-CB 3.33Å; V801-S804 PolarHBondContact O-N 3.45Å; V801-S804 PolarHBondContact O-OG 3.46Å; V801-H805 PolarHBondContact O-N 2.76Å; V801-W842 HydrophobicContact CB-CZ2 4.45Å; V801-W842 HydrophobicContact CG2-CH2 3.37Å; V801-W842 HydrophobicContact CG2-CZ2 3.41Å; V801-W842 VanDerWaalsContact CG2-CZ2 3.41Å; V801-W847 HydrophobicContact CG2-CH2 4.3Å; V801-W847 HydrophobicContact CG2-CZ2 4.44Å |
| 802 | K | 66.6 | Low | 67.7 | Low | 102 Ų | 102 | 65 Ų | 65 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -35.8 | -177.7 | -73.1 | 175.4 | -157.8 | 148.3 | 0 | 113.4 | D798 D799 S804 H805 | D798-K802 WeakPolarHBondContact O-CG 3.46Å; D798-K802 PolarHBondContact O-N 3.21Å; D799-K802 PolarHBondContact O-N 3.11Å; D799-K802 IonicContact OD1-NZ 3.45Å; D799-K802 PolarHBondContact OD1-NZ 3.32Å; D799-K802 VanDerWaalsContact OD1-NZ 3.13Å; K802-S804 VanDerWaalsContact C-N 3.33Å; K802-H805 WeakPolarHBondContact O-CB 3.43Å; K802-H805 PolarHBondContact O-N 3.43Å |
| 803 | K | 55.7 | Low | 67.9 | Low | 105 Ų | 105 | 65.4 Ų | 65.4 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.3 | -25.2 | 175.9 | -77.8 | -171.4 | -179.9 | -177.7 | 0 | 113.2 | D747 D799 V801 H805 N806 | D747-K803 VanDerWaalsContact OD1-CD 3.25Å; D747-K803 WeakPolarHBondContact OD1-CD 3.37Å; D747-K803 IonicContact OD1-NZ 2.68Å; D747-K803 PolarHBondContact OD1-NZ 2.78Å; D747-K803 IonicContact OD2-NZ 2.66Å; D747-K803 PolarHBondContact OD2-NZ 3.34Å; D799-K803 PolarHBondContact O-N 2.93Å; V801-K803 VanDerWaalsContact C-N 3.31Å; V801-K803 PolarHBondContact O-N 3.22Å; K803-H805 PolarHBondContact O-N 2.92Å; K803-N806 PolarHBondContact O-N 3.26Å; K803-N806 VanDerWaalsContact O-N 3.11Å |
| 804 | S | 52.9 | Low | 68.1 | Low | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.6 | -10.8 | 170.5 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | V801 K802 N806 E807 S812 | V801-S804 WeakPolarHBondContact O-CB 3.33Å; V801-S804 PolarHBondContact O-N 3.45Å; V801-S804 PolarHBondContact O-OG 3.46Å; K802-S804 VanDerWaalsContact C-N 3.33Å; S804-N806 VanDerWaalsContact C-N 3.29Å; S804-E807 CarbonylContact O-C 3.56Å; S804-E807 PolarHBondContact O-N 2.86Å; S804-S812 WeakPolarHBondContact OG-CB 3.46Å |
| 805 | H | 44.2 | Very low | 68.4 | Low | 113 Ų | 113 | 65.5 Ų | 65.5 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -17.2 | 168.9 | -78.5 | -55.6 | 0 | 0 | 0 | 114.1 | V801 K802 K803 E807 | V801-H805 PolarHBondContact O-N 2.76Å; K802-H805 WeakPolarHBondContact O-CB 3.43Å; K802-H805 PolarHBondContact O-N 3.43Å; K803-H805 PolarHBondContact O-N 2.92Å; H805-E807 VanDerWaalsContact C-N 3.26Å |
| 806 | N | 53.2 | Low | 68.7 | Low | 158 Ų | 158 | 63.1 Ų | 63.1 | 85% | 0.845 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.2 | 170.5 | -79.5 | -9.2 | 0 | 0 | 0 | 112.1 | K803 S804 | K803-N806 PolarHBondContact O-N 3.26Å; K803-N806 VanDerWaalsContact O-N 3.11Å; S804-N806 VanDerWaalsContact C-N 3.29Å |
| 807 | E | 51.2 | Low | 68.9 | Low | 102 Ų | 102 | 65 Ų | 65 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -109.1 | 167.7 | 172.3 | -67.8 | -177.3 | 162.8 | 0 | 0 | 109.1 | S804 H805 L809 | S804-E807 CarbonylContact O-C 3.56Å; S804-E807 PolarHBondContact O-N 2.86Å; H805-E807 VanDerWaalsContact C-N 3.26Å; E807-L809 PolarHBondContact O-N 3.4Å |
| 808 | N | 59.5 | Low | 69.2 | Low | 119 Ų | 119 | 69.5 Ų | 69.5 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | trans | -54.9 | 137.1 | -173.3 | -70.2 | -45 | 0 | 0 | 0 | 111.2 | N810 D811 | N808-N810 PolarHBondContact O-N 2.86Å; N808-D811 PolarHBondContact O-N 3.26Å | ||
| 809 | L | 55.4 | Low | 69.6 | Low | 121 Ų | 121 | 68 Ų | 68 | 63% | 0.634 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -50.5 | -20.5 | 177.1 | -79.1 | 153.3 | 0 | 0 | 0 | 114.3 | E807 S812 | E807-L809 PolarHBondContact O-N 3.4Å; L809-S812 PolarHBondContact O-OG 2.82Å |
| 810 | N | 66.1 | Low | 70.2 | Confident | 130 Ų | 130 | 65.4 Ų | 65.4 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -78.5 | -33.9 | 176.9 | -69.5 | -7.9 | 0 | 0 | 0 | 113.5 | N808 L813 S814 | N808-N810 PolarHBondContact O-N 2.86Å; N810-L813 PolarHBondContact O-N 3.29Å; N810-S814 PolarHBondContact O-N 3.31Å; N810-S814 VanDerWaalsContact O-N 3.15Å |
| 811 | D | 67.6 | Low | 70.8 | Confident | 74 Ų | 74 | 68 Ų | 68 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.7 | -37.2 | -177.2 | -68.1 | -29.5 | 0 | 0 | 0 | 110.5 | N808 L813 S814 L815 | N808-D811 PolarHBondContact O-N 3.26Å; D811-L813 VanDerWaalsContact C-N 3.34Å; D811-L813 PolarHBondContact O-N 3.25Å; D811-S814 PolarHBondContact O-N 2.91Å; D811-S814 PolarHBondContact O-OG 3.39Å; D811-L815 WeakPolarHBondContact O-CG 3.42Å; D811-L815 PolarHBondContact O-N 3.1Å |
| 812 | S | 70.1 | Confident | 71.8 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -43.2 | 173.9 | 69.8 | 0 | 0 | 0 | 0 | 112.9 | S804 L809 S814 L815 S816 | S804-S812 WeakPolarHBondContact OG-CB 3.46Å; L809-S812 PolarHBondContact O-OG 2.82Å; S812-S814 VanDerWaalsContact C-N 3.31Å; S812-S814 PolarHBondContact O-N 3.46Å; S812-L815 PolarHBondContact O-N 3Å; S812-S816 PolarHBondContact O-N 3.33Å; S812-S816 PolarHBondContact O-OG 3.15Å |
| 813 | L | 78.1 | Confident | 72.9 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 177 | -158.4 | 96.4 | 0 | 0 | 0 | 110.8 | N810 D811 S816 Q817 W855 | N810-L813 PolarHBondContact O-N 3.29Å; D811-L813 VanDerWaalsContact C-N 3.34Å; D811-L813 PolarHBondContact O-N 3.25Å; L813-S816 PolarHBondContact O-OG 3.22Å; L813-Q817 VanDerWaalsContact CD2-NE2 3.34Å; L813-Q817 WeakPolarHBondContact O-CB 3.32Å; L813-Q817 WeakPolarHBondContact O-CG 3.48Å; L813-Q817 PolarHBondContact O-N 2.81Å; L813-W855 HydrophobicContact CD1-CZ2 4.44Å |
| 814 | S | 82.5 | Confident | 74.5 | Confident | 57 Ų | 57 | 59.6 Ų | 59.6 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.2 | 80.8 | 0 | 0 | 0 | 0 | 112.5 | N810 D811 S812 Q817 R818 | N810-S814 PolarHBondContact O-N 3.31Å; N810-S814 VanDerWaalsContact O-N 3.15Å; D811-S814 PolarHBondContact O-N 2.91Å; D811-S814 PolarHBondContact O-OG 3.39Å; S812-S814 VanDerWaalsContact C-N 3.31Å; S812-S814 PolarHBondContact O-N 3.46Å; S814-Q817 PolarHBondContact O-N 3.34Å; S814-R818 PolarHBondContact O-N 2.54Å |
| 815 | L | 85.1 | Confident | 76.3 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 177.9 | -69.2 | 171.7 | 0 | 0 | 0 | 111.3 | H750 V753 F800 D811 S812 R818 L819 | H750-L815 VanDerWaalsContact NE2-CD1 3.33Å; H750-L815 WeakPolarHBondContact NE2-CD1 3.38Å; V753-L815 HydrophobicContact CB-CD2 4.31Å; V753-L815 HydrophobicContact CG1-CB 4.34Å; V753-L815 HydrophobicContact CG1-CD2 3.67Å; F800-L815 HydrophobicContact CZ-CB 3.94Å; D811-L815 WeakPolarHBondContact O-CG 3.42Å; D811-L815 PolarHBondContact O-N 3.1Å; S812-L815 PolarHBondContact O-N 3Å; L815-R818 PolarHBondContact O-N 3.16Å; L815-L819 WeakPolarHBondContact O-CB 3.4Å; L815-L819 PolarHBondContact O-N 2.82Å |
| 816 | S | 85.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 175 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | S812 L813 L819 L820 | S812-S816 PolarHBondContact O-N 3.33Å; S812-S816 PolarHBondContact O-OG 3.15Å; L813-S816 PolarHBondContact O-OG 3.22Å; S816-L819 WeakPolarHBondContact O-CB 3.36Å; S816-L819 PolarHBondContact O-N 3.16Å; S816-L820 PolarHBondContact O-N 3.24Å |
| 817 | Q | 85.9 | Confident | 80.4 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 170.5 | -74.6 | 168.9 | 11.7 | 0 | 0 | 112.2 | L813 S814 L819 L820 S821 W855 | L813-Q817 VanDerWaalsContact CD2-NE2 3.34Å; L813-Q817 WeakPolarHBondContact O-CB 3.32Å; L813-Q817 WeakPolarHBondContact O-CG 3.48Å; L813-Q817 PolarHBondContact O-N 2.81Å; S814-Q817 PolarHBondContact O-N 3.34Å; Q817-L819 VanDerWaalsContact C-N 3.31Å; Q817-L819 PolarHBondContact O-N 2.98Å; Q817-L820 WeakPolarHBondContact O-CB 3.43Å; Q817-L820 PolarHBondContact O-N 2.66Å; Q817-S821 PolarHBondContact O-N 3.05Å; Q817-W855 HydrophobicContact CG-CD2 4.15Å; Q817-W855 HydrophobicContact CG-CE3 3.98Å; Q817-W855 HydrophobicContact CG-CZ3 4.37Å |
| 818 | R | 87.8 | Confident | 82.3 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 36% | 0.362 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 175 | -159.8 | 176.2 | -163.4 | 130 | 14.5 | 111.1 | V753 D756 S814 L815 S821 Y822 | V753-R818 HydrophobicContact CG1-CB 4.04Å; V753-R818 HydrophobicContact CG1-CG 4.29Å; V753-R818 WeakPolarHBondContact O-CD 3.42Å; D756-R818 VanDerWaalsContact CG-CZ 3.48Å; D756-R818 IonicContact OD1-CZ 3.98Å; D756-R818 IonicContact OD1-NE 2.82Å; D756-R818 PolarHBondContact OD1-NE 2.88Å; D756-R818 IonicContact OD1-NH2 3.13Å; D756-R818 PolarHBondContact OD1-NH2 3.24Å; D756-R818 IonicContact OD2-CZ 2.72Å; D756-R818 IonicContact OD2-NH2 3.23Å; D756-R818 PolarHBondContact OD2-NH2 2.83Å; S814-R818 PolarHBondContact O-N 2.54Å; L815-R818 PolarHBondContact O-N 3.16Å; R818-S821 WeakPolarHBondContact O-CB 3.25Å; R818-S821 PolarHBondContact O-N 3.37Å; R818-Y822 VanDerWaalsContact CD-OH 3.28Å; R818-Y822 WeakPolarHBondContact CD-OH 3.43Å; R818-Y822 HydrophobicContact CG-CE1 3.88Å; R818-Y822 HydrophobicContact CG-CE2 4.39Å; R818-Y822 PolarHBondContact NE-OH 3.34Å; R818-Y822 WeakPolarHBondContact O-CD1 3.35Å; R818-Y822 PolarHBondContact O-N 3.27Å |
| 819 | L | 89.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -39 | 174.3 | -169 | 68.2 | 0 | 0 | 0 | 112.2 | V753 T761 L797 F800 L815 S816 Q817 S821 Y822 A823 W826 V839 W842 | V753-L819 HydrophobicContact CG2-CD1 4.32Å; T761-L819 HydrophobicContact CG2-CD1 4.11Å; L797-L819 HydrophobicContact CD2-CD2 4.1Å; F800-L819 HydrophobicContact CE1-CD2 4.21Å; L815-L819 WeakPolarHBondContact O-CB 3.4Å; L815-L819 PolarHBondContact O-N 2.82Å; S816-L819 WeakPolarHBondContact O-CB 3.36Å; S816-L819 PolarHBondContact O-N 3.16Å; Q817-L819 VanDerWaalsContact C-N 3.31Å; Q817-L819 PolarHBondContact O-N 2.98Å; L819-S821 VanDerWaalsContact C-N 3.35Å; L819-Y822 HydrophobicContact CD1-CD2 4.35Å; L819-Y822 PolarHBondContact O-N 2.98Å; L819-A823 PolarHBondContact O-N 3.39Å; L819-W826 HydrophobicContact CD1-CH2 4.27Å; L819-W826 HydrophobicContact CD1-CZ3 4.48Å; L819-V839 HydrophobicContact CD2-CG1 3.99Å; L819-V839 HydrophobicContact CG-CG1 3.91Å; L819-W842 HydrophobicContact CD2-CZ3 4.09Å |
| 820 | L | 89.7 | Confident | 85.1 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 172 | 178.8 | 64 | 0 | 0 | 0 | 111.6 | S816 Q817 Y822 A823 I824 L840 I843 W855 F858 A861 L865 | S816-L820 PolarHBondContact O-N 3.24Å; Q817-L820 WeakPolarHBondContact O-CB 3.43Å; Q817-L820 PolarHBondContact O-N 2.66Å; L820-Y822 VanDerWaalsContact C-N 3.32Å; L820-Y822 PolarHBondContact O-N 3.37Å; L820-A823 WeakPolarHBondContact O-CB 3.31Å; L820-A823 PolarHBondContact O-N 2.82Å; L820-A823 VanDerWaalsContact O-N 3.15Å; L820-I824 WeakPolarHBondContact O-CG1 3.44Å; L820-I824 PolarHBondContact O-N 2.75Å; L820-L840 HydrophobicContact CD1-CD1 4.49Å; L820-I843 HydrophobicContact CB-CD1 3.98Å; L820-I843 HydrophobicContact CD1-CD1 3.84Å; L820-I843 HydrophobicContact CG-CD1 4.46Å; L820-W855 HydrophobicContact CD2-CE3 4.09Å; L820-W855 HydrophobicContact CD2-CZ3 4.04Å; L820-F858 HydrophobicContact CD2-CD2 3.82Å; L820-F858 HydrophobicContact CD2-CE2 4.16Å; L820-A861 HydrophobicContact CD2-CB 4.11Å; L820-L865 HydrophobicContact CD1-CD1 4.28Å |
| 821 | S | 89 | Confident | 86.1 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | Q817 R818 L819 I824 N825 | Q817-S821 PolarHBondContact O-N 3.05Å; R818-S821 WeakPolarHBondContact O-CB 3.25Å; R818-S821 PolarHBondContact O-N 3.37Å; L819-S821 VanDerWaalsContact C-N 3.35Å; S821-I824 PolarHBondContact O-N 2.57Å; S821-N825 PolarHBondContact O-N 3.42Å |
| 822 | Y | 91.8 | Very high | 87.1 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.4 | -58 | -15.9 | 0 | 0 | 0 | 111.9 | V753 D756 P758 R818 L819 L820 I824 N825 W826 | V753-Y822 HydrophobicContact CG1-CE2 4.33Å; V753-Y822 HydrophobicContact CG2-CE2 4.13Å; D756-Y822 WeakPolarHBondContact CA-OH 3.38Å; D756-Y822 PolarHBondContact OD1-OH 2.72Å; P758-Y822 HydrophobicContact CB-CD1 3.86Å; P758-Y822 HydrophobicContact CB-CD2 4.32Å; P758-Y822 HydrophobicContact CB-CE1 3.98Å; P758-Y822 HydrophobicContact CB-CE2 4.43Å; P758-Y822 HydrophobicContact CB-CG 4.05Å; R818-Y822 VanDerWaalsContact CD-OH 3.28Å; R818-Y822 WeakPolarHBondContact CD-OH 3.43Å; R818-Y822 HydrophobicContact CG-CE1 3.88Å; R818-Y822 HydrophobicContact CG-CE2 4.39Å; R818-Y822 PolarHBondContact NE-OH 3.34Å; R818-Y822 WeakPolarHBondContact O-CD1 3.35Å; R818-Y822 PolarHBondContact O-N 3.27Å; L819-Y822 HydrophobicContact CD1-CD2 4.35Å; L819-Y822 PolarHBondContact O-N 2.98Å; L820-Y822 VanDerWaalsContact C-N 3.32Å; L820-Y822 PolarHBondContact O-N 3.37Å; Y822-I824 VanDerWaalsContact C-N 3.3Å; Y822-I824 PolarHBondContact O-N 3.45Å; Y822-N825 PolarHBondContact O-N 3.26Å; Y822-N825 VanDerWaalsContact O-N 3.14Å; Y822-W826 HydrophobicContact CD2-CH2 4.22Å; Y822-W826 HydrophobicContact CD2-CZ2 4.14Å; Y822-W826 HydrophobicContact CG-CH2 4.49Å; Y822-W826 HydrophobicContact CG-CZ2 4.2Å; Y822-W826 PolarHBondContact O-N 3.16Å |
| 823 | A | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L819 L820 W826 N827 S836 V839 | L819-A823 PolarHBondContact O-N 3.39Å; L820-A823 WeakPolarHBondContact O-CB 3.31Å; L820-A823 PolarHBondContact O-N 2.82Å; L820-A823 VanDerWaalsContact O-N 3.15Å; A823-W826 PolarHBondContact O-N 3.44Å; A823-N827 PolarHBondContact O-N 3.17Å; A823-S836 WeakPolarHBondContact O-CB 3.11Å; A823-S836 PolarHBondContact O-OG 3.01Å; A823-V839 HydrophobicContact CB-CB 4.35Å; A823-V839 HydrophobicContact CB-CG1 3.98Å |
| 824 | I | 89.7 | Confident | 88.3 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 173.9 | -66.1 | 163.3 | 0 | 0 | 0 | 110.4 | L820 S821 Y822 W826 N827 A861 L865 | L820-I824 WeakPolarHBondContact O-CG1 3.44Å; L820-I824 PolarHBondContact O-N 2.75Å; S821-I824 PolarHBondContact O-N 2.57Å; Y822-I824 VanDerWaalsContact C-N 3.3Å; Y822-I824 PolarHBondContact O-N 3.45Å; I824-W826 VanDerWaalsContact C-N 3.34Å; I824-W826 PolarHBondContact O-N 3Å; I824-N827 PolarHBondContact O-N 3.27Å; I824-A861 HydrophobicContact CD1-CB 3.62Å; I824-A861 HydrophobicContact CG1-CB 4.47Å; I824-L865 HydrophobicContact CG1-CD1 4.09Å; I824-L865 HydrophobicContact CG1-CD2 4.22Å; I824-L865 HydrophobicContact CG1-CG 4Å |
| 825 | N | 90 | Very high | 88.6 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -40.1 | 179.2 | -72.3 | -31.1 | 0 | 0 | 0 | 111.7 | S821 Y822 N827 T828 | S821-N825 PolarHBondContact O-N 3.42Å; Y822-N825 PolarHBondContact O-N 3.26Å; Y822-N825 VanDerWaalsContact O-N 3.14Å; N825-N827 VanDerWaalsContact C-N 3.33Å; N825-N827 PolarHBondContact O-N 3.04Å; N825-T828 PolarHBondContact O-N 2.77Å; N825-T828 PolarHBondContact O-OG1 3.31Å |
| 826 | W | 92.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 8% | 0.076 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -28 | 177.5 | -60.4 | -22.1 | 0 | 0 | 0 | 113.3 | P758 T761 L762 L765 L819 Y822 A823 I824 T828 R829 T832 I835 V839 | P758-W826 VanDerWaalsContact O-CZ2 3.28Å; P758-W826 WeakPolarHBondContact O-CZ2 3.12Å; T761-W826 HydrophobicContact CG2-CH2 4Å; L762-W826 HydrophobicContact CB-CH2 4.42Å; L762-W826 HydrophobicContact CB-CZ2 3.72Å; L762-W826 HydrophobicContact CD1-CD2 3.72Å; L762-W826 HydrophobicContact CD1-CE3 4.12Å; L762-W826 HydrophobicContact CD1-CG 3.95Å; L762-W826 HydrophobicContact CD1-CZ2 4.34Å; L765-W826 HydrophobicContact CD1-CH2 3.87Å; L765-W826 HydrophobicContact CD1-CZ3 3.76Å; L819-W826 HydrophobicContact CD1-CH2 4.27Å; L819-W826 HydrophobicContact CD1-CZ3 4.48Å; Y822-W826 HydrophobicContact CD2-CH2 4.22Å; Y822-W826 HydrophobicContact CD2-CZ2 4.14Å; Y822-W826 HydrophobicContact CG-CH2 4.49Å; Y822-W826 HydrophobicContact CG-CZ2 4.2Å; Y822-W826 PolarHBondContact O-N 3.16Å; A823-W826 PolarHBondContact O-N 3.44Å; I824-W826 VanDerWaalsContact C-N 3.34Å; I824-W826 PolarHBondContact O-N 3Å; W826-T828 PolarHBondContact O-N 2.97Å; W826-R829 PolarHBondContact O-N 2.92Å; W826-T832 CarbonylContact O-C 3.55Å; W826-T832 PolarHBondContact O-OG1 3.24Å; W826-I835 HydrophobicContact CE3-CG2 4.26Å; W826-I835 HydrophobicContact CZ3-CG2 4.26Å; W826-V839 HydrophobicContact CZ3-CG2 4.4Å |
| 827 | N | 91.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -21.6 | 179.6 | -157 | 18.3 | 0 | 0 | 0 | 112.9 | A823 I824 N825 R829 S836 Q837 L865 T869 H872 | A823-N827 PolarHBondContact O-N 3.17Å; I824-N827 PolarHBondContact O-N 3.27Å; N825-N827 VanDerWaalsContact C-N 3.33Å; N825-N827 PolarHBondContact O-N 3.04Å; N827-R829 VanDerWaalsContact C-N 3.26Å; N827-R829 PolarHBondContact O-N 2.79Å; N827-S836 VanDerWaalsContact CB-OG 3.28Å; N827-S836 WeakPolarHBondContact CB-OG 3.29Å; N827-S836 PolarHBondContact N-OG 3.07Å; N827-Q837 PolarHBondContact ND2-NE2 3.42Å; N827-Q837 PolarHBondContact OD1-NE2 3.38Å; N827-L865 HydrophobicContact CB-CD2 3.73Å; N827-L865 VanDerWaalsContact ND2-CD2 3.33Å; N827-L865 WeakPolarHBondContact ND2-CD2 3.32Å; N827-L865 PolarHBondContact ND2-O 3.46Å; N827-T869 PolarHBondContact ND2-OG1 2.63Å; N827-H872 PolarHBondContact O-NE2 3.23Å; N827-H872 PolarHBondContact OD1-CD2 2.86Å; N827-H872 PolarHBondContact OD1-NE2 2.71Å |
| 828 | T | 90.4 | Very high | 89.1 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.9 | -178.6 | 65.8 | 0 | 0 | 0 | 0 | 113.1 | N825 W826 Y868 | N825-T828 PolarHBondContact O-N 2.77Å; N825-T828 PolarHBondContact O-OG1 3.31Å; W826-T828 PolarHBondContact O-N 2.97Å; T828-Y868 HydrophobicContact CG2-CE2 4.29Å |
| 829 | R | 88.4 | Confident | 89.2 | Confident | 180 Ų | 180 | 49.3 Ų | 49.3 | 68% | 0.679 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -107 | 136.6 | -179.3 | -59 | 177.7 | 179 | -175.4 | -1.1 | 110.9 | W826 N827 R831 T832 S833 | W826-R829 PolarHBondContact O-N 2.92Å; N827-R829 VanDerWaalsContact C-N 3.26Å; N827-R829 PolarHBondContact O-N 2.79Å; R829-R831 VanDerWaalsContact C-N 3.25Å; R829-R831 PolarHBondContact O-N 3.47Å; R829-T832 WeakPolarHBondContact CB-OG1 3.36Å; R829-T832 PolarHBondContact O-N 2.81Å; R829-T832 PolarHBondContact O-OG1 2.94Å; R829-S833 WeakPolarHBondContact O-CB 3.35Å; R829-S833 PolarHBondContact O-N 2.98Å |
| 830 | T | 86.1 | Confident | 89.2 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.2 | -179.3 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | S833 | T830-S833 PolarHBondContact O-OG 3.11Å; T830-S833 VanDerWaalsContact O-OG 3.07Å |
| 831 | R | 86.3 | Confident | 89.1 | Confident | 225 Ų | 225 | 53.9 Ų | 53.9 | 85% | 0.849 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -27.8 | 179.2 | -65.6 | -175.3 | -179.1 | -177.4 | -0.3 | 113.1 | R829 | R829-R831 VanDerWaalsContact C-N 3.25Å; R829-R831 PolarHBondContact O-N 3.47Å |
| 832 | T | 88.5 | Confident | 88.9 | Confident | 13 Ų | 13 | 51 Ų | 51 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -5 | -178.7 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | L762 W826 R829 M834 I835 S836 | L762-T832 HydrophobicContact CD1-CG2 4.04Å; L762-T832 HydrophobicContact CD2-CG2 3.61Å; L762-T832 HydrophobicContact CG-CG2 4.41Å; W826-T832 CarbonylContact O-C 3.55Å; W826-T832 PolarHBondContact O-OG1 3.24Å; R829-T832 WeakPolarHBondContact CB-OG1 3.36Å; R829-T832 PolarHBondContact O-N 2.81Å; R829-T832 PolarHBondContact O-OG1 2.94Å; T832-M834 VanDerWaalsContact C-N 3.27Å; T832-M834 PolarHBondContact O-N 3.26Å; T832-I835 PolarHBondContact O-N 2.84Å; T832-S836 PolarHBondContact O-N 2.94Å; T832-S836 VanDerWaalsContact O-N 3.1Å |
| 833 | S | 87.7 | Confident | 88.7 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -35.9 | 179.7 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | R829 T830 I835 S836 Q837 H872 | R829-S833 WeakPolarHBondContact O-CB 3.35Å; R829-S833 PolarHBondContact O-N 2.98Å; T830-S833 PolarHBondContact O-OG 3.11Å; T830-S833 VanDerWaalsContact O-OG 3.07Å; S833-I835 PolarHBondContact O-N 2.97Å; S833-S836 WeakPolarHBondContact O-CB 3.32Å; S833-S836 PolarHBondContact O-N 2.9Å; S833-Q837 WeakPolarHBondContact O-CB 3.38Å; S833-Q837 VanDerWaalsContact O-CG 3.22Å; S833-Q837 WeakPolarHBondContact O-CG 3.36Å; S833-Q837 PolarHBondContact O-N 2.86Å; S833-H872 WeakPolarHBondContact CB-NE2 3.06Å |
| 834 | M | 86.3 | Confident | 88.5 | Confident | 106 Ų | 106 | 54.7 Ų | 54.7 | 52% | 0.522 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 179.5 | -163.9 | 70.7 | -178.6 | 0 | 0 | 111.7 | L769 T832 Q837 F838 | L769-M834 HydrophobicContact CD2-CB 4.5Å; L769-M834 HydrophobicContact CD2-CG 4.09Å; T832-M834 VanDerWaalsContact C-N 3.27Å; T832-M834 PolarHBondContact O-N 3.26Å; M834-Q837 PolarHBondContact O-N 3Å; M834-F838 HydrophobicContact CE-CD2 4.35Å; M834-F838 HydrophobicContact CE-CE2 3.39Å; M834-F838 HydrophobicContact CE-CZ 3.7Å; M834-F838 HydrophobicContact CG-CD2 3.91Å; M834-F838 HydrophobicContact CG-CE2 3.63Å; M834-F838 WeakPolarHBondContact O-CD2 3.22Å; M834-F838 PolarHBondContact O-N 3.02Å; M834-F838 HydrophobicContact SD-CE2 4.2Å |
| 835 | I | 89.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 178.1 | -63.2 | 166.5 | 0 | 0 | 0 | 110.6 | L762 L765 Q766 L769 W826 T832 S833 Q837 F838 V839 | L762-I835 HydrophobicContact CD1-CB 4.35Å; L762-I835 HydrophobicContact CD1-CD1 3.75Å; L762-I835 HydrophobicContact CD1-CG2 4.22Å; L765-I835 HydrophobicContact CB-CG2 3.79Å; L765-I835 HydrophobicContact CD1-CG2 3.85Å; L765-I835 HydrophobicContact CG-CG2 4.47Å; Q766-I835 HydrophobicContact CB-CD1 3.48Å; Q766-I835 VanDerWaalsContact CB-CD1 3.48Å; Q766-I835 HydrophobicContact CG-CD1 3.61Å; L769-I835 HydrophobicContact CD2-CG1 4.1Å; W826-I835 HydrophobicContact CE3-CG2 4.26Å; W826-I835 HydrophobicContact CZ3-CG2 4.26Å; T832-I835 PolarHBondContact O-N 2.84Å; S833-I835 PolarHBondContact O-N 2.97Å; I835-Q837 VanDerWaalsContact C-N 3.32Å; I835-Q837 PolarHBondContact O-N 3.05Å; I835-F838 PolarHBondContact O-N 2.83Å; I835-V839 HydrophobicContact CG2-CG2 4.33Å; I835-V839 WeakPolarHBondContact O-CG2 3.48Å; I835-V839 PolarHBondContact O-N 3.34Å |
| 836 | S | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -46.1 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 112 | A823 N827 T832 S833 V839 L840 | A823-S836 WeakPolarHBondContact O-CB 3.11Å; A823-S836 PolarHBondContact O-OG 3.01Å; N827-S836 VanDerWaalsContact CB-OG 3.28Å; N827-S836 WeakPolarHBondContact CB-OG 3.29Å; N827-S836 PolarHBondContact N-OG 3.07Å; T832-S836 PolarHBondContact O-N 2.94Å; T832-S836 VanDerWaalsContact O-N 3.1Å; S833-S836 WeakPolarHBondContact O-CB 3.32Å; S833-S836 PolarHBondContact O-N 2.9Å; S836-V839 PolarHBondContact O-N 3.04Å; S836-L840 VanDerWaalsContact O-CB 3.28Å; S836-L840 WeakPolarHBondContact O-CB 3.32Å; S836-L840 PolarHBondContact O-N 3.49Å |
| 837 | Q | 89 | Confident | 87.5 | Confident | 52 Ų | 52 | 59 Ų | 59 | 24% | 0.243 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -33.5 | 177.9 | -65.7 | -60.2 | -42 | 0 | 0 | 112.3 | N827 S833 M834 I835 N841 T869 | N827-Q837 PolarHBondContact ND2-NE2 3.42Å; N827-Q837 PolarHBondContact OD1-NE2 3.38Å; S833-Q837 WeakPolarHBondContact O-CB 3.38Å; S833-Q837 VanDerWaalsContact O-CG 3.22Å; S833-Q837 WeakPolarHBondContact O-CG 3.36Å; S833-Q837 PolarHBondContact O-N 2.86Å; M834-Q837 PolarHBondContact O-N 3Å; I835-Q837 VanDerWaalsContact C-N 3.32Å; I835-Q837 PolarHBondContact O-N 3.05Å; Q837-N841 WeakPolarHBondContact O-CB 3.43Å; Q837-N841 PolarHBondContact O-N 2.79Å; Q837-T869 PolarHBondContact NE2-OG1 3.31Å |
| 838 | F | 87.1 | Confident | 87.2 | Confident | 49 Ų | 49 | 62 Ų | 62 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 172 | -86.1 | -65.3 | 0 | 0 | 0 | 112.1 | L769 A790 L793 M834 I835 L840 N841 W842 | L769-F838 HydrophobicContact CD1-CD2 4.03Å; L769-F838 HydrophobicContact CD1-CE2 3.48Å; L769-F838 VanDerWaalsContact CD1-CE2 3.48Å; L769-F838 HydrophobicContact CD1-CZ 4.06Å; L769-F838 HydrophobicContact CD2-CD2 4.47Å; L769-F838 HydrophobicContact CD2-CE2 4.29Å; A790-F838 HydrophobicContact CB-CE1 4.04Å; A790-F838 HydrophobicContact CB-CZ 4.12Å; L793-F838 HydrophobicContact CD2-CB 3.87Å; L793-F838 HydrophobicContact CD2-CD1 4.33Å; L793-F838 HydrophobicContact CD2-CG 4.16Å; M834-F838 HydrophobicContact CE-CD2 4.35Å; M834-F838 HydrophobicContact CE-CE2 3.39Å; M834-F838 HydrophobicContact CE-CZ 3.7Å; M834-F838 HydrophobicContact CG-CD2 3.91Å; M834-F838 HydrophobicContact CG-CE2 3.63Å; M834-F838 WeakPolarHBondContact O-CD2 3.22Å; M834-F838 PolarHBondContact O-N 3.02Å; M834-F838 HydrophobicContact SD-CE2 4.2Å; I835-F838 PolarHBondContact O-N 2.83Å; F838-L840 VanDerWaalsContact C-N 3.32Å; F838-L840 PolarHBondContact O-N 2.85Å; F838-N841 PolarHBondContact O-N 2.79Å; F838-W842 WeakPolarHBondContact O-CB 3.43Å; F838-W842 PolarHBondContact O-N 2.86Å |
| 839 | V | 88.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | L765 L819 A823 W826 I835 S836 W842 I843 | L765-V839 HydrophobicContact CD1-CG2 4.05Å; L819-V839 HydrophobicContact CD2-CG1 3.99Å; L819-V839 HydrophobicContact CG-CG1 3.91Å; A823-V839 HydrophobicContact CB-CB 4.35Å; A823-V839 HydrophobicContact CB-CG1 3.98Å; W826-V839 HydrophobicContact CZ3-CG2 4.4Å; I835-V839 HydrophobicContact CG2-CG2 4.33Å; I835-V839 WeakPolarHBondContact O-CG2 3.48Å; I835-V839 PolarHBondContact O-N 3.34Å; S836-V839 PolarHBondContact O-N 3.04Å; V839-W842 PolarHBondContact O-N 2.8Å; V839-I843 HydrophobicContact CG1-CD1 3.94Å; V839-I843 VanDerWaalsContact O-CG1 3.27Å; V839-I843 WeakPolarHBondContact O-CG1 3.38Å; V839-I843 PolarHBondContact O-N 3.14Å |
| 840 | L | 89.1 | Confident | 86.8 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.2 | -178.1 | 62.5 | 0 | 0 | 0 | 111.9 | L820 S836 F838 W842 I843 L844 L865 | L820-L840 HydrophobicContact CD1-CD1 4.49Å; S836-L840 VanDerWaalsContact O-CB 3.28Å; S836-L840 WeakPolarHBondContact O-CB 3.32Å; S836-L840 PolarHBondContact O-N 3.49Å; F838-L840 VanDerWaalsContact C-N 3.32Å; F838-L840 PolarHBondContact O-N 2.85Å; L840-W842 VanDerWaalsContact C-N 3.32Å; L840-W842 PolarHBondContact O-N 3Å; L840-I843 PolarHBondContact O-N 3.45Å; L840-L844 HydrophobicContact CD1-CD1 4.18Å; L840-L844 HydrophobicContact CD1-CG 4.27Å; L840-L844 HydrophobicContact CG-CD1 3.97Å; L840-L844 HydrophobicContact CG-CG 4.44Å; L840-L844 WeakPolarHBondContact O-CB 3.3Å; L840-L844 VanDerWaalsContact O-CG 3.27Å; L840-L844 WeakPolarHBondContact O-CG 3.23Å; L840-L844 PolarHBondContact O-N 3Å; L840-L865 HydrophobicContact CD1-CD1 3.91Å; L840-L865 HydrophobicContact CD2-CD1 4.28Å |
| 841 | N | 87.6 | Confident | 86.8 | Confident | 87 Ų | 87 | 63 Ų | 63 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.8 | -175 | 35.8 | 0 | 0 | 0 | 111.3 | Q837 F838 L844 T845 | Q837-N841 WeakPolarHBondContact O-CB 3.43Å; Q837-N841 PolarHBondContact O-N 2.79Å; F838-N841 PolarHBondContact O-N 2.79Å; N841-L844 PolarHBondContact O-N 3.42Å; N841-T845 WeakPolarHBondContact O-CB 3.5Å; N841-T845 VanDerWaalsContact O-CG2 3.28Å; N841-T845 WeakPolarHBondContact O-CG2 3.37Å; N841-T845 PolarHBondContact O-N 3.39Å; N841-T845 PolarHBondContact O-OG1 3.44Å; N841-T845 WeakPolarHBondContact OD1-CG2 3.43Å |
| 842 | W | 85.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.3 | 173.5 | 73 | 0 | 0 | 0 | 111.4 | L794 L797 D798 F800 V801 L819 F838 V839 L840 L844 T845 R846 W847 | L794-W842 HydrophobicContact CD1-CB 4.1Å; L794-W842 VanDerWaalsContact CD1-CD1 3.49Å; L794-W842 HydrophobicContact CD1-CG 4.16Å; L797-W842 HydrophobicContact CB-CD2 3.69Å; L797-W842 HydrophobicContact CB-CE3 4.3Å; L797-W842 HydrophobicContact CB-CG 3.9Å; L797-W842 HydrophobicContact CB-CZ2 4.04Å; L797-W842 HydrophobicContact CD1-CB 3.89Å; L797-W842 HydrophobicContact CD1-CD2 4.02Å; L797-W842 HydrophobicContact CD1-CE3 4.33Å; L797-W842 HydrophobicContact CD1-CG 3.79Å; L797-W842 HydrophobicContact CD2-CE3 4.45Å; L797-W842 HydrophobicContact CG-CD2 4.33Å; L797-W842 HydrophobicContact CG-CG 4.46Å; L797-W842 WeakPolarHBondContact O-CZ2 3.41Å; D798-W842 PolarHBondContact OD1-NE1 3.11Å; F800-W842 HydrophobicContact CD1-CH2 4.11Å; F800-W842 HydrophobicContact CE1-CH2 4.48Å; V801-W842 HydrophobicContact CB-CZ2 4.45Å; V801-W842 HydrophobicContact CG2-CH2 3.37Å; V801-W842 HydrophobicContact CG2-CZ2 3.41Å; V801-W842 VanDerWaalsContact CG2-CZ2 3.41Å; L819-W842 HydrophobicContact CD2-CZ3 4.09Å; F838-W842 WeakPolarHBondContact O-CB 3.43Å; F838-W842 PolarHBondContact O-N 2.86Å; V839-W842 PolarHBondContact O-N 2.8Å; L840-W842 VanDerWaalsContact C-N 3.32Å; L840-W842 PolarHBondContact O-N 3Å; W842-L844 PolarHBondContact O-N 2.76Å; W842-T845 PolarHBondContact O-N 2.83Å; W842-T845 PolarHBondContact O-OG1 2.85Å; W842-R846 WeakPolarHBondContact O-CB 3.45Å; W842-R846 PolarHBondContact O-N 3.28Å; W842-W847 HydrophobicContact CE3-CZ3 4.19Å; W842-W847 AromaticContact CH2-CH2 3.5Å; W842-W847 HydrophobicContact CH2-CH2 3.5Å; W842-W847 AromaticContact CH2-CZ3 3.86Å; W842-W847 HydrophobicContact CH2-CZ3 3.86Å; W842-W847 HydrophobicContact CZ2-CH2 4.19Å; W842-W847 HydrophobicContact CZ2-CZ3 4.4Å; W842-W847 AromaticContact CZ3-CH2 3.74Å; W842-W847 HydrophobicContact CZ3-CH2 3.74Å; W842-W847 AromaticContact CZ3-CZ3 3.72Å; W842-W847 HydrophobicContact CZ3-CZ3 3.72Å |
| 843 | I | 87.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -47.7 | 174.6 | -66.5 | 164.9 | 0 | 0 | 0 | 110.9 | L820 V839 L840 T845 R846 W847 L852 W855 | L820-I843 HydrophobicContact CB-CD1 3.98Å; L820-I843 HydrophobicContact CD1-CD1 3.84Å; L820-I843 HydrophobicContact CG-CD1 4.46Å; V839-I843 HydrophobicContact CG1-CD1 3.94Å; V839-I843 VanDerWaalsContact O-CG1 3.27Å; V839-I843 WeakPolarHBondContact O-CG1 3.38Å; V839-I843 PolarHBondContact O-N 3.14Å; L840-I843 PolarHBondContact O-N 3.45Å; I843-T845 VanDerWaalsContact C-N 3.34Å; I843-T845 PolarHBondContact O-N 2.78Å; I843-R846 PolarHBondContact O-N 2.85Å; I843-W847 HydrophobicContact CB-CE3 4.05Å; I843-W847 HydrophobicContact CB-CZ3 3.98Å; I843-W847 HydrophobicContact CG1-CE3 4.32Å; I843-W847 HydrophobicContact CG1-CZ3 3.74Å; I843-W847 HydrophobicContact CG2-CE3 3.75Å; I843-W847 HydrophobicContact CG2-CZ3 4.02Å; I843-W847 VanDerWaalsContact O-CE3 3.31Å; I843-W847 PolarHBondContact O-N 2.87Å; I843-L852 HydrophobicContact CG2-CD2 3.8Å; I843-W855 HydrophobicContact CG2-CH2 4.11Å; I843-W855 HydrophobicContact CG2-CZ3 4.14Å |
| 844 | L | 86.3 | Confident | 86.4 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.5 | -25.7 | -177 | -67.8 | 173.6 | 0 | 0 | 0 | 114.3 | L840 N841 W842 L852 F858 | L840-L844 HydrophobicContact CD1-CD1 4.18Å; L840-L844 HydrophobicContact CD1-CG 4.27Å; L840-L844 HydrophobicContact CG-CD1 3.97Å; L840-L844 HydrophobicContact CG-CG 4.44Å; L840-L844 WeakPolarHBondContact O-CB 3.3Å; L840-L844 VanDerWaalsContact O-CG 3.27Å; L840-L844 WeakPolarHBondContact O-CG 3.23Å; L840-L844 PolarHBondContact O-N 3Å; N841-L844 PolarHBondContact O-N 3.42Å; W842-L844 PolarHBondContact O-N 2.76Å; L844-L852 HydrophobicContact CD2-CD1 4.11Å; L844-F858 HydrophobicContact CD2-CZ 4.34Å |
| 845 | T | 84.5 | Confident | 86.4 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -89.4 | -25 | 179.2 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | N841 W842 I843 | N841-T845 WeakPolarHBondContact O-CB 3.5Å; N841-T845 VanDerWaalsContact O-CG2 3.28Å; N841-T845 WeakPolarHBondContact O-CG2 3.37Å; N841-T845 PolarHBondContact O-N 3.39Å; N841-T845 PolarHBondContact O-OG1 3.44Å; N841-T845 WeakPolarHBondContact OD1-CG2 3.43Å; W842-T845 PolarHBondContact O-N 2.83Å; W842-T845 PolarHBondContact O-OG1 2.85Å; I843-T845 VanDerWaalsContact C-N 3.34Å; I843-T845 PolarHBondContact O-N 2.78Å |
| 846 | R | 81.9 | Confident | 86 | Confident | 119 Ų | 119 | 64.3 Ų | 64.3 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -87.9 | -40.5 | -176 | -170.8 | 66.8 | -180 | 167.5 | 4.2 | 113.5 | W842 I843 | W842-R846 WeakPolarHBondContact O-CB 3.45Å; W842-R846 PolarHBondContact O-N 3.28Å; I843-R846 PolarHBondContact O-N 2.85Å |
| 847 | W | 84.3 | Confident | 85.7 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -98.8 | 145.2 | -179 | -73.1 | -78.1 | 0 | 0 | 0 | 111.5 | V801 W842 I843 L852 W855 | V801-W847 HydrophobicContact CG2-CH2 4.3Å; V801-W847 HydrophobicContact CG2-CZ2 4.44Å; W842-W847 HydrophobicContact CE3-CZ3 4.19Å; W842-W847 AromaticContact CH2-CH2 3.5Å; W842-W847 HydrophobicContact CH2-CH2 3.5Å; W842-W847 AromaticContact CH2-CZ3 3.86Å; W842-W847 HydrophobicContact CH2-CZ3 3.86Å; W842-W847 HydrophobicContact CZ2-CH2 4.19Å; W842-W847 HydrophobicContact CZ2-CZ3 4.4Å; W842-W847 AromaticContact CZ3-CH2 3.74Å; W842-W847 HydrophobicContact CZ3-CH2 3.74Å; W842-W847 AromaticContact CZ3-CZ3 3.72Å; W842-W847 HydrophobicContact CZ3-CZ3 3.72Å; I843-W847 HydrophobicContact CB-CE3 4.05Å; I843-W847 HydrophobicContact CB-CZ3 3.98Å; I843-W847 HydrophobicContact CG1-CE3 4.32Å; I843-W847 HydrophobicContact CG1-CZ3 3.74Å; I843-W847 HydrophobicContact CG2-CE3 3.75Å; I843-W847 HydrophobicContact CG2-CZ3 4.02Å; I843-W847 VanDerWaalsContact O-CE3 3.31Å; I843-W847 PolarHBondContact O-N 2.87Å; W847-L852 HydrophobicContact CB-CD1 4.1Å; W847-L852 HydrophobicContact CB-CD2 3.71Å; W847-L852 HydrophobicContact CB-CG 3.65Å; W847-L852 HydrophobicContact CG-CD2 4.23Å; W847-W855 HydrophobicContact CD2-CH2 4.12Å; W847-W855 AromaticContact CD2-CZ2 3.84Å; W847-W855 HydrophobicContact CD2-CZ2 3.84Å; W847-W855 AromaticContact CE2-CZ2 3.75Å; W847-W855 AromaticContact CE3-CH2 3.99Å; W847-W855 HydrophobicContact CE3-CH2 3.99Å; W847-W855 HydrophobicContact CE3-CZ2 4.2Å; W847-W855 HydrophobicContact CG-CZ2 4.28Å; W847-W855 HydrophobicContact CH2-CH2 4.17Å; W847-W855 HydrophobicContact CH2-CZ2 4.43Å; W847-W855 HydrophobicContact CZ2-CH2 4.25Å; W847-W855 HydrophobicContact CZ2-CZ2 4.05Å; W847-W855 HydrophobicContact CZ3-CH2 4.05Å |
| 848 | T | 86.5 | Confident | 85.6 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 41% | 0.405 | 35% | 0.348 | S | S | . | . | trans | -71 | 151.3 | 174.4 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | E850 E851 L852 | T848-E850 PolarHBondContact O-N 2.84Å; T848-E850 VanDerWaalsContact O-N 3.13Å; T848-E851 PolarHBondContact N-OE2 2.87Å; T848-E851 PolarHBondContact O-N 3.49Å; T848-E851 VanDerWaalsContact OG1-CD 3.31Å; T848-E851 VanDerWaalsContact OG1-CG 3.28Å; T848-E851 WeakPolarHBondContact OG1-CG 3.48Å; T848-E851 PolarHBondContact OG1-N 2.85Å; T848-E851 PolarHBondContact OG1-OE2 2.78Å; T848-L852 PolarHBondContact O-N 3.44Å; T848-L852 VanDerWaalsContact O-N 3.11Å | ||
| 849 | P | 83.4 | Confident | 85.5 | Confident | 101 Ų | 101 | 70.3 Ų | 70.3 | 66% | 0.656 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.1 | -29.3 | 175.9 | -26.7 | 34.9 | 0 | 0 | 0 | 113.5 | I853 | P849-I853 WeakPolarHBondContact O-CD1 3.44Å; P849-I853 VanDerWaalsContact O-CG1 3.25Å; P849-I853 WeakPolarHBondContact O-CG1 3.24Å; P849-I853 PolarHBondContact O-N 3.09Å |
| 850 | E | 86.5 | Confident | 85.5 | Confident | 161 Ų | 161 | 74.8 Ų | 74.8 | 75% | 0.752 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.8 | -47.9 | 177.8 | -63.5 | 179.6 | -178.6 | 0 | 0 | 111.4 | T848 L852 I853 | T848-E850 PolarHBondContact O-N 2.84Å; T848-E850 VanDerWaalsContact O-N 3.13Å; E850-L852 PolarHBondContact O-N 2.64Å; E850-I853 PolarHBondContact O-N 3.26Å |
| 851 | E | 84.9 | Confident | 85.3 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 177.3 | -69.5 | 165.8 | 161 | 0 | 0 | 112.8 | T848 I853 E854 | T848-E851 PolarHBondContact N-OE2 2.87Å; T848-E851 PolarHBondContact O-N 3.49Å; T848-E851 VanDerWaalsContact OG1-CD 3.31Å; T848-E851 VanDerWaalsContact OG1-CG 3.28Å; T848-E851 WeakPolarHBondContact OG1-CG 3.48Å; T848-E851 PolarHBondContact OG1-N 2.85Å; T848-E851 PolarHBondContact OG1-OE2 2.78Å; E851-I853 VanDerWaalsContact C-N 3.31Å; E851-I853 PolarHBondContact O-N 3.22Å; E851-E854 WeakPolarHBondContact O-CB 3.33Å; E851-E854 PolarHBondContact O-N 2.73Å |
| 852 | L | 85.3 | Confident | 85.3 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.8 | -30.9 | 179.9 | -73.2 | 171.5 | 0 | 0 | 0 | 112.6 | I843 L844 W847 T848 E850 E854 W855 F858 | I843-L852 HydrophobicContact CG2-CD2 3.8Å; L844-L852 HydrophobicContact CD2-CD1 4.11Å; W847-L852 HydrophobicContact CB-CD1 4.1Å; W847-L852 HydrophobicContact CB-CD2 3.71Å; W847-L852 HydrophobicContact CB-CG 3.65Å; W847-L852 HydrophobicContact CG-CD2 4.23Å; T848-L852 PolarHBondContact O-N 3.44Å; T848-L852 VanDerWaalsContact O-N 3.11Å; E850-L852 PolarHBondContact O-N 2.64Å; L852-E854 VanDerWaalsContact C-N 3.27Å; L852-E854 PolarHBondContact O-N 3.1Å; L852-W855 HydrophobicContact CD2-CD2 4.33Å; L852-W855 HydrophobicContact CD2-CE3 4.31Å; L852-W855 HydrophobicContact CD2-CH2 4.15Å; L852-W855 HydrophobicContact CD2-CZ2 4.15Å; L852-W855 HydrophobicContact CD2-CZ3 4.22Å; L852-W855 WeakPolarHBondContact O-CB 3.32Å; L852-W855 PolarHBondContact O-N 3.03Å; L852-F858 HydrophobicContact CB-CD1 4.13Å; L852-F858 HydrophobicContact CB-CE1 3.65Å; L852-F858 HydrophobicContact CB-CE2 4.36Å; L852-F858 HydrophobicContact CB-CZ 3.79Å; L852-F858 HydrophobicContact CD1-CE1 4.45Å; L852-F858 HydrophobicContact CD1-CZ 3.96Å; L852-F858 HydrophobicContact CD2-CD2 4.47Å; L852-F858 HydrophobicContact CD2-CE2 3.84Å; L852-F858 HydrophobicContact CD2-CZ 3.9Å; L852-F858 HydrophobicContact CG-CE1 4.45Å; L852-F858 HydrophobicContact CG-CZ 4.1Å; L852-F858 WeakPolarHBondContact O-CB 2.83Å; L852-F858 WeakPolarHBondContact O-CD1 3.32Å; L852-F858 VanDerWaalsContact O-CG 3.25Å; L852-F858 WeakPolarHBondContact O-CG 3.5Å |
| 853 | I | 84.7 | Confident | 85.4 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 59% | 0.585 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.3 | -28.5 | 176.6 | -70.3 | 164.4 | 0 | 0 | 0 | 111.2 | P849 E850 E851 W855 | P849-I853 WeakPolarHBondContact O-CD1 3.44Å; P849-I853 VanDerWaalsContact O-CG1 3.25Å; P849-I853 WeakPolarHBondContact O-CG1 3.24Å; P849-I853 PolarHBondContact O-N 3.09Å; E850-I853 PolarHBondContact O-N 3.26Å; E851-I853 VanDerWaalsContact C-N 3.31Å; E851-I853 PolarHBondContact O-N 3.22Å; I853-W855 PolarHBondContact O-N 3.26Å |
| 854 | E | 84.9 | Confident | 85.5 | Confident | 165 Ų | 165 | 86.4 Ų | 86.4 | 77% | 0.771 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17.5 | 177 | -63.1 | -173.2 | 162.3 | 0 | 0 | 113 | E851 L852 | E851-E854 WeakPolarHBondContact O-CB 3.33Å; E851-E854 PolarHBondContact O-N 2.73Å; L852-E854 VanDerWaalsContact C-N 3.27Å; L852-E854 PolarHBondContact O-N 3.1Å |
| 855 | W | 85.6 | Confident | 85.7 | Confident | 14 Ų | 14 | 82.5 Ų | 82.5 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -68.5 | 133.9 | -179.5 | -74.9 | 19.1 | 0 | 0 | 0 | 112 | L813 Q817 L820 I843 W847 L852 I853 N857 F858 | L813-W855 HydrophobicContact CD1-CZ2 4.44Å; Q817-W855 HydrophobicContact CG-CD2 4.15Å; Q817-W855 HydrophobicContact CG-CE3 3.98Å; Q817-W855 HydrophobicContact CG-CZ3 4.37Å; L820-W855 HydrophobicContact CD2-CE3 4.09Å; L820-W855 HydrophobicContact CD2-CZ3 4.04Å; I843-W855 HydrophobicContact CG2-CH2 4.11Å; I843-W855 HydrophobicContact CG2-CZ3 4.14Å; W847-W855 HydrophobicContact CD2-CH2 4.12Å; W847-W855 AromaticContact CD2-CZ2 3.84Å; W847-W855 HydrophobicContact CD2-CZ2 3.84Å; W847-W855 AromaticContact CE2-CZ2 3.75Å; W847-W855 AromaticContact CE3-CH2 3.99Å; W847-W855 HydrophobicContact CE3-CH2 3.99Å; W847-W855 HydrophobicContact CE3-CZ2 4.2Å; W847-W855 HydrophobicContact CG-CZ2 4.28Å; W847-W855 HydrophobicContact CH2-CH2 4.17Å; W847-W855 HydrophobicContact CH2-CZ2 4.43Å; W847-W855 HydrophobicContact CZ2-CH2 4.25Å; W847-W855 HydrophobicContact CZ2-CZ2 4.05Å; W847-W855 HydrophobicContact CZ3-CH2 4.05Å; L852-W855 HydrophobicContact CD2-CD2 4.33Å; L852-W855 HydrophobicContact CD2-CE3 4.31Å; L852-W855 HydrophobicContact CD2-CH2 4.15Å; L852-W855 HydrophobicContact CD2-CZ2 4.15Å; L852-W855 HydrophobicContact CD2-CZ3 4.22Å; L852-W855 WeakPolarHBondContact O-CB 3.32Å; L852-W855 PolarHBondContact O-N 3.03Å; I853-W855 PolarHBondContact O-N 3.26Å; W855-N857 PolarHBondContact O-N 2.91Å; W855-F858 HydrophobicContact CB-CB 3.82Å; W855-F858 HydrophobicContact CB-CG 4.46Å; W855-F858 HydrophobicContact CE3-CD2 4.01Å; W855-F858 PolarHBondContact O-N 3.25Å |
| 856 | P | 82.6 | Confident | 85.9 | Confident | 90 Ų | 90 | 83 Ų | 83 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.6 | 175.8 | 25.4 | -32.7 | 0 | 0 | 0 | 110.1 | F858 | P856-F858 PolarHBondContact O-N 3.35Å; P856-F858 VanDerWaalsContact O-N 3.16Å |
| 857 | N | 83.2 | Confident | 86.4 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 60% | 0.604 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 13.8 | 178 | -57.7 | -25.7 | 0 | 0 | 0 | 116.4 | W855 N859 Q860 A861 | W855-N857 PolarHBondContact O-N 2.91Å; N857-N859 VanDerWaalsContact C-N 3.29Å; N857-N859 PolarHBondContact O-N 2.88Å; N857-Q860 HydrophobicContact CB-CB 4.46Å; N857-Q860 WeakPolarHBondContact O-CB 3.33Å; N857-Q860 PolarHBondContact O-N 3.3Å; N857-A861 PolarHBondContact O-N 3.47Å |
| 858 | F | 86.9 | Confident | 86.8 | Confident | 12 Ų | 12 | 82.9 Ų | 82.9 | 5% | 0.053 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 177.9 | -176.1 | -104.7 | 0 | 0 | 0 | 113 | L820 L844 L852 W855 P856 Q860 A861 I862 | L820-F858 HydrophobicContact CD2-CD2 3.82Å; L820-F858 HydrophobicContact CD2-CE2 4.16Å; L844-F858 HydrophobicContact CD2-CZ 4.34Å; L852-F858 HydrophobicContact CB-CD1 4.13Å; L852-F858 HydrophobicContact CB-CE1 3.65Å; L852-F858 HydrophobicContact CB-CE2 4.36Å; L852-F858 HydrophobicContact CB-CZ 3.79Å; L852-F858 HydrophobicContact CD1-CE1 4.45Å; L852-F858 HydrophobicContact CD1-CZ 3.96Å; L852-F858 HydrophobicContact CD2-CD2 4.47Å; L852-F858 HydrophobicContact CD2-CE2 3.84Å; L852-F858 HydrophobicContact CD2-CZ 3.9Å; L852-F858 HydrophobicContact CG-CE1 4.45Å; L852-F858 HydrophobicContact CG-CZ 4.1Å; L852-F858 WeakPolarHBondContact O-CB 2.83Å; L852-F858 WeakPolarHBondContact O-CD1 3.32Å; L852-F858 VanDerWaalsContact O-CG 3.25Å; L852-F858 WeakPolarHBondContact O-CG 3.5Å; W855-F858 HydrophobicContact CB-CB 3.82Å; W855-F858 HydrophobicContact CB-CG 4.46Å; W855-F858 HydrophobicContact CE3-CD2 4.01Å; W855-F858 PolarHBondContact O-N 3.25Å; P856-F858 PolarHBondContact O-N 3.35Å; P856-F858 VanDerWaalsContact O-N 3.16Å; F858-Q860 VanDerWaalsContact C-N 3.32Å; F858-Q860 PolarHBondContact O-N 3.09Å; F858-A861 WeakPolarHBondContact O-CB 3.49Å; F858-A861 PolarHBondContact O-N 3.46Å; F858-I862 HydrophobicContact CD1-CD1 3.87Å; F858-I862 HydrophobicContact CD1-CG1 4.41Å; F858-I862 HydrophobicContact CE1-CD1 3.18Å; F858-I862 HydrophobicContact CE1-CG1 4Å; F858-I862 HydrophobicContact CE2-CD1 4.36Å; F858-I862 HydrophobicContact CE2-CG1 4.45Å; F858-I862 HydrophobicContact CZ-CD1 3.49Å; F858-I862 VanDerWaalsContact CZ-CD1 3.49Å; F858-I862 HydrophobicContact CZ-CG1 4.02Å; F858-I862 PolarHBondContact O-N 2.94Å |
| 859 | N | 86.4 | Confident | 87 | Confident | 102 Ų | 102 | 81.6 Ų | 81.6 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 173.9 | -78.1 | -32.4 | 0 | 0 | 0 | 112.8 | N857 Q863 | N857-N859 VanDerWaalsContact C-N 3.29Å; N857-N859 PolarHBondContact O-N 2.88Å; N859-Q863 VanDerWaalsContact O-CG 3.3Å; N859-Q863 WeakPolarHBondContact O-CG 3.45Å; N859-Q863 PolarHBondContact O-N 3.43Å; N859-Q863 VanDerWaalsContact O-N 3.1Å |
| 860 | Q | 87.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 175.9 | -69.1 | -179.1 | -2.9 | 0 | 0 | 110.8 | N857 F858 I862 Q863 Y864 | N857-Q860 HydrophobicContact CB-CB 4.46Å; N857-Q860 WeakPolarHBondContact O-CB 3.33Å; N857-Q860 PolarHBondContact O-N 3.3Å; F858-Q860 VanDerWaalsContact C-N 3.32Å; F858-Q860 PolarHBondContact O-N 3.09Å; Q860-I862 VanDerWaalsContact C-N 3.32Å; Q860-I862 PolarHBondContact O-N 3.07Å; Q860-Q863 WeakPolarHBondContact O-CB 3.41Å; Q860-Q863 PolarHBondContact O-N 2.73Å; Q860-Q863 VanDerWaalsContact O-N 3.12Å; Q860-Y864 HydrophobicContact CB-CD2 4.44Å; Q860-Y864 HydrophobicContact CB-CE2 4.11Å; Q860-Y864 WeakPolarHBondContact O-CD2 3.42Å; Q860-Y864 PolarHBondContact O-N 3.31Å |
| 861 | A | 86.3 | Confident | 87.7 | Confident | 9 Ų | 9 | 79.8 Ų | 79.8 | 7% | 0.074 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.1 | -47.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L820 I824 N857 F858 Y864 L865 | L820-A861 HydrophobicContact CD2-CB 4.11Å; I824-A861 HydrophobicContact CD1-CB 3.62Å; I824-A861 HydrophobicContact CG1-CB 4.47Å; N857-A861 PolarHBondContact O-N 3.47Å; F858-A861 WeakPolarHBondContact O-CB 3.49Å; F858-A861 PolarHBondContact O-N 3.46Å; A861-Y864 PolarHBondContact O-N 2.71Å; A861-L865 WeakPolarHBondContact O-CD1 3.32Å; A861-L865 WeakPolarHBondContact O-CG 3.2Å; A861-L865 PolarHBondContact O-N 2.76Å |
| 862 | I | 87.1 | Confident | 88 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 29% | 0.287 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.7 | -71.5 | -175.8 | 0 | 0 | 0 | 111.6 | F858 Q860 Y864 L865 L866 | F858-I862 HydrophobicContact CD1-CD1 3.87Å; F858-I862 HydrophobicContact CD1-CG1 4.41Å; F858-I862 HydrophobicContact CE1-CD1 3.18Å; F858-I862 HydrophobicContact CE1-CG1 4Å; F858-I862 HydrophobicContact CE2-CD1 4.36Å; F858-I862 HydrophobicContact CE2-CG1 4.45Å; F858-I862 HydrophobicContact CZ-CD1 3.49Å; F858-I862 VanDerWaalsContact CZ-CD1 3.49Å; F858-I862 HydrophobicContact CZ-CG1 4.02Å; F858-I862 PolarHBondContact O-N 2.94Å; Q860-I862 VanDerWaalsContact C-N 3.32Å; Q860-I862 PolarHBondContact O-N 3.07Å; I862-Y864 VanDerWaalsContact C-N 3.26Å; I862-Y864 PolarHBondContact O-N 2.69Å; I862-L865 PolarHBondContact O-N 2.92Å; I862-L865 VanDerWaalsContact O-N 3.15Å; I862-L866 HydrophobicContact CG2-CD1 3.82Å; I862-L866 PolarHBondContact O-N 2.92Å |
| 863 | Q | 88.2 | Confident | 88.3 | Confident | 137 Ų | 137 | 83.7 Ų | 83.7 | 64% | 0.64 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.6 | -37.1 | 177.7 | -74.9 | 175 | 18.1 | 0 | 0 | 112.4 | N859 Q860 P867 | N859-Q863 VanDerWaalsContact O-CG 3.3Å; N859-Q863 WeakPolarHBondContact O-CG 3.45Å; N859-Q863 PolarHBondContact O-N 3.43Å; N859-Q863 VanDerWaalsContact O-N 3.1Å; Q860-Q863 WeakPolarHBondContact O-CB 3.41Å; Q860-Q863 PolarHBondContact O-N 2.73Å; Q860-Q863 VanDerWaalsContact O-N 3.12Å; Q863-P867 WeakPolarHBondContact O-CD 3.21Å |
| 864 | Y | 89 | Confident | 88.7 | Confident | 147 Ų | 147 | 82.9 Ų | 82.9 | 58% | 0.576 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.4 | -33.8 | 175.6 | -69 | -58.4 | 0 | 0 | 0 | 112.9 | Q860 A861 I862 | Q860-Y864 HydrophobicContact CB-CD2 4.44Å; Q860-Y864 HydrophobicContact CB-CE2 4.11Å; Q860-Y864 WeakPolarHBondContact O-CD2 3.42Å; Q860-Y864 PolarHBondContact O-N 3.31Å; A861-Y864 PolarHBondContact O-N 2.71Å; I862-Y864 VanDerWaalsContact C-N 3.26Å; I862-Y864 PolarHBondContact O-N 2.69Å |
| 865 | L | 89.9 | Confident | 89 | Confident | 6 Ų | 6 | 81.2 Ų | 81.2 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | 178.3 | -75.9 | 161.2 | 0 | 0 | 0 | 112.5 | L820 I824 N827 L840 A861 I862 Y868 T869 | L820-L865 HydrophobicContact CD1-CD1 4.28Å; I824-L865 HydrophobicContact CG1-CD1 4.09Å; I824-L865 HydrophobicContact CG1-CD2 4.22Å; I824-L865 HydrophobicContact CG1-CG 4Å; N827-L865 HydrophobicContact CB-CD2 3.73Å; N827-L865 VanDerWaalsContact ND2-CD2 3.33Å; N827-L865 WeakPolarHBondContact ND2-CD2 3.32Å; N827-L865 PolarHBondContact ND2-O 3.46Å; L840-L865 HydrophobicContact CD1-CD1 3.91Å; L840-L865 HydrophobicContact CD2-CD1 4.28Å; A861-L865 WeakPolarHBondContact O-CD1 3.32Å; A861-L865 WeakPolarHBondContact O-CG 3.2Å; A861-L865 PolarHBondContact O-N 2.76Å; I862-L865 PolarHBondContact O-N 2.92Å; I862-L865 VanDerWaalsContact O-N 3.15Å; L865-Y868 PolarHBondContact O-N 2.78Å; L865-T869 PolarHBondContact O-N 2.56Å; L865-T869 PolarHBondContact O-OG1 2.75Å |
| 866 | L | 90.2 | Very high | 89.1 | Confident | 103 Ų | 103 | 85.3 Ų | 85.3 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -53.8 | -47.6 | -169.1 | -136.1 | 105.1 | 0 | 0 | 0 | 114.8 | I862 Y868 T869 T870 | I862-L866 HydrophobicContact CG2-CD1 3.82Å; I862-L866 PolarHBondContact O-N 2.92Å; L866-Y868 VanDerWaalsContact C-N 3.34Å; L866-Y868 PolarHBondContact O-N 3.23Å; L866-T869 PolarHBondContact O-N 2.84Å; L866-T870 WeakPolarHBondContact O-CB 3.39Å; L866-T870 PolarHBondContact O-N 2.9Å; L866-T870 PolarHBondContact O-OG1 2.83Å |
| 867 | P | 91.5 | Very high | 89.6 | Confident | 67 Ų | 67 | 82.6 Ų | 82.6 | 44% | 0.435 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | -177.1 | -23.4 | 34.3 | 0 | 0 | 0 | 112.9 | Q863 R871 | Q863-P867 WeakPolarHBondContact O-CD 3.21Å; P867-R871 WeakPolarHBondContact O-CG 3.45Å; P867-R871 PolarHBondContact O-N 3.01Å; P867-R871 VanDerWaalsContact O-N 3.14Å |
| 868 | Y | 92.8 | Very high | 90 | Very high | 87 Ų | 87 | 84.5 Ų | 84.5 | 34% | 0.341 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -73.2 | -43.1 | 178.3 | -66.9 | -75.5 | 0 | 0 | 0 | 110.9 | T828 L865 L866 T870 R871 H872 | T828-Y868 HydrophobicContact CG2-CE2 4.29Å; L865-Y868 PolarHBondContact O-N 2.78Å; L866-Y868 VanDerWaalsContact C-N 3.34Å; L866-Y868 PolarHBondContact O-N 3.23Å; Y868-T870 VanDerWaalsContact C-N 3.33Å; Y868-T870 PolarHBondContact O-N 2.94Å; Y868-R871 PolarHBondContact O-N 2.85Å; Y868-R871 VanDerWaalsContact O-N 3.16Å; Y868-H872 PolarHBondContact O-CD2 3.01Å; Y868-H872 VanDerWaalsContact O-CG 3.26Å; Y868-H872 PolarHBondContact O-N 2.82Å |
| 869 | T | 91.1 | Very high | 90.2 | Very high | 39 Ų | 39 | 88.1 Ų | 88.1 | 24% | 0.239 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 175.1 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | N827 Q837 L865 L866 R871 H872 Y873 | N827-T869 PolarHBondContact ND2-OG1 2.63Å; Q837-T869 PolarHBondContact NE2-OG1 3.31Å; L865-T869 PolarHBondContact O-N 2.56Å; L865-T869 PolarHBondContact O-OG1 2.75Å; L866-T869 PolarHBondContact O-N 2.84Å; T869-R871 PolarHBondContact O-N 3.37Å; T869-H872 PolarHBondContact O-N 2.89Å; T869-Y873 WeakPolarHBondContact O-CB 3.11Å; T869-Y873 PolarHBondContact O-N 2.86Å |
| 870 | T | 93 | Very high | 90.4 | Very high | 64 Ų | 64 | 89.2 Ų | 89.2 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 175.8 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | L866 Y868 Y873 Q874 | L866-T870 WeakPolarHBondContact O-CB 3.39Å; L866-T870 PolarHBondContact O-N 2.9Å; L866-T870 PolarHBondContact O-OG1 2.83Å; Y868-T870 VanDerWaalsContact C-N 3.33Å; Y868-T870 PolarHBondContact O-N 2.94Å; T870-Y873 PolarHBondContact O-N 2.77Å; T870-Q874 WeakPolarHBondContact O-CG 3.48Å; T870-Q874 PolarHBondContact O-N 2.8Å |
| 871 | R | 91.6 | Very high | 90.6 | Very high | 161 Ų | 161 | 90.7 Ų | 90.7 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 175.9 | -76.8 | 176.3 | -178.1 | 176.3 | 2.1 | 112.1 | P867 Y868 T869 Y873 R875 | P867-R871 WeakPolarHBondContact O-CG 3.45Å; P867-R871 PolarHBondContact O-N 3.01Å; P867-R871 VanDerWaalsContact O-N 3.14Å; Y868-R871 PolarHBondContact O-N 2.85Å; Y868-R871 VanDerWaalsContact O-N 3.16Å; T869-R871 PolarHBondContact O-N 3.37Å; R871-Y873 VanDerWaalsContact C-N 3.35Å; R871-R875 WeakPolarHBondContact O-CB 3.32Å; R871-R875 PolarHBondContact O-N 3.08Å |
| 872 | H | 91 | Very high | 90.8 | Very high | 22 Ų | 22 | 96 Ų | 96 | 10% | 0.102 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.7 | -63.4 | -44.6 | 0 | 0 | 0 | 110.8 | N827 S833 Y868 T869 R875 I876 | N827-H872 PolarHBondContact O-NE2 3.23Å; N827-H872 PolarHBondContact OD1-CD2 2.86Å; N827-H872 PolarHBondContact OD1-NE2 2.71Å; S833-H872 WeakPolarHBondContact CB-NE2 3.06Å; Y868-H872 PolarHBondContact O-CD2 3.01Å; Y868-H872 VanDerWaalsContact O-CG 3.26Å; Y868-H872 PolarHBondContact O-N 2.82Å; T869-H872 PolarHBondContact O-N 2.89Å; H872-R875 WeakPolarHBondContact O-CB 3.36Å; H872-R875 PolarHBondContact O-N 2.76Å; H872-I876 WeakPolarHBondContact O-CG1 3.28Å; H872-I876 PolarHBondContact O-N 2.81Å |
| 873 | Y | 91.1 | Very high | 91 | Very high | 154 Ų | 154 | 97 Ų | 97 | 60% | 0.604 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -50.9 | 174.8 | -179.8 | -102.8 | 0 | 0 | 0 | 112.3 | T869 T870 R871 R875 I876 C877 | T869-Y873 WeakPolarHBondContact O-CB 3.11Å; T869-Y873 PolarHBondContact O-N 2.86Å; T870-Y873 PolarHBondContact O-N 2.77Å; R871-Y873 VanDerWaalsContact C-N 3.35Å; Y873-R875 PolarHBondContact O-N 2.95Å; Y873-I876 PolarHBondContact O-N 2.97Å; Y873-C877 PolarHBondContact O-N 2.82Å; Y873-C877 PolarHBondContact O-SG 3.14Å; Y873-C877 VanDerWaalsContact O-SG 3.35Å |
| 874 | Q | 93.2 | Very high | 91 | Very high | 97 Ų | 97 | 93.2 Ų | 93.2 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -37.1 | 176 | -73.6 | 176.4 | -3.8 | 0 | 0 | 112.5 | T870 R878 | T870-Q874 WeakPolarHBondContact O-CG 3.48Å; T870-Q874 PolarHBondContact O-N 2.8Å; Q874-R878 WeakPolarHBondContact O-CG 3.37Å; Q874-R878 PolarHBondContact O-N 2.8Å; Q874-R878 VanDerWaalsContact O-N 3.12Å |
| 875 | R | 90.5 | Very high | 91 | Very high | 129 Ų | 129 | 91.1 Ų | 91.1 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.5 | -178.1 | -177.8 | 177.9 | -160.1 | -2.2 | 111.3 | R871 H872 Y873 R878 L879 | R871-R875 WeakPolarHBondContact O-CB 3.32Å; R871-R875 PolarHBondContact O-N 3.08Å; H872-R875 WeakPolarHBondContact O-CB 3.36Å; H872-R875 PolarHBondContact O-N 2.76Å; Y873-R875 PolarHBondContact O-N 2.95Å; R875-R878 PolarHBondContact O-N 2.69Å; R875-L879 HydrophobicContact CG-CD1 4.29Å; R875-L879 WeakPolarHBondContact O-CG 3.25Å; R875-L879 PolarHBondContact O-N 2.78Å; R875-L879 VanDerWaalsContact O-N 3.07Å |
| 876 | I | 88.6 | Confident | 91 | Very high | 101 Ų | 101 | 95.9 Ų | 95.9 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 177.1 | -68.2 | 166.3 | 0 | 0 | 0 | 110.3 | H872 Y873 R878 L879 E880 | H872-I876 WeakPolarHBondContact O-CG1 3.28Å; H872-I876 PolarHBondContact O-N 2.81Å; Y873-I876 PolarHBondContact O-N 2.97Å; I876-R878 VanDerWaalsContact C-N 3.32Å; I876-R878 PolarHBondContact O-N 2.8Å; I876-L879 WeakPolarHBondContact O-CB 3.25Å; I876-L879 PolarHBondContact O-N 3.36Å; I876-E880 PolarHBondContact O-N 3.31Å |
| 877 | C | 91.8 | Very high | 90.6 | Very high | 33 Ų | 33 | 94.7 Ų | 94.7 | 22% | 0.223 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.6 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | Y873 L879 E880 E881 | Y873-C877 PolarHBondContact O-N 2.82Å; Y873-C877 PolarHBondContact O-SG 3.14Å; Y873-C877 VanDerWaalsContact O-SG 3.35Å; C877-L879 VanDerWaalsContact C-N 3.33Å; C877-L879 PolarHBondContact O-N 3.08Å; C877-E880 WeakPolarHBondContact O-CB 3.29Å; C877-E880 PolarHBondContact O-N 3.04Å; C877-E881 WeakPolarHBondContact O-CG 3.29Å; C877-E881 PolarHBondContact O-N 3.47Å |
| 878 | R | 92.8 | Very high | 90.3 | Very high | 153 Ų | 153 | 98.9 Ų | 98.9 | 58% | 0.577 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.6 | -37.1 | 175.6 | -70.6 | 177.1 | -167.3 | 159.9 | 5.4 | 112.7 | Q874 R875 I876 E880 Q882 | Q874-R878 WeakPolarHBondContact O-CG 3.37Å; Q874-R878 PolarHBondContact O-N 2.8Å; Q874-R878 VanDerWaalsContact O-N 3.12Å; R875-R878 PolarHBondContact O-N 2.69Å; I876-R878 VanDerWaalsContact C-N 3.32Å; I876-R878 PolarHBondContact O-N 2.8Å; R878-E880 VanDerWaalsContact C-N 3.35Å; R878-Q882 WeakPolarHBondContact O-CB 3.27Å; R878-Q882 VanDerWaalsContact O-CG 3.28Å; R878-Q882 WeakPolarHBondContact O-CG 3.32Å; R878-Q882 PolarHBondContact O-N 3.33Å |
| 879 | L | 91 | Very high | 89.8 | Confident | 88 Ų | 88 | 98.9 Ų | 98.9 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 176.4 | -73.4 | 169.8 | 0 | 0 | 0 | 111.3 | R875 I876 C877 Q882 L883 | R875-L879 HydrophobicContact CG-CD1 4.29Å; R875-L879 WeakPolarHBondContact O-CG 3.25Å; R875-L879 PolarHBondContact O-N 2.78Å; R875-L879 VanDerWaalsContact O-N 3.07Å; I876-L879 WeakPolarHBondContact O-CB 3.25Å; I876-L879 PolarHBondContact O-N 3.36Å; C877-L879 VanDerWaalsContact C-N 3.33Å; C877-L879 PolarHBondContact O-N 3.08Å; L879-Q882 PolarHBondContact O-N 3.13Å; L879-L883 WeakPolarHBondContact O-CB 2.91Å; L879-L883 PolarHBondContact O-N 3.36Å |
| 880 | E | 90.3 | Very high | 89.3 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 173.9 | -171.2 | 179.6 | 179 | 0 | 0 | 111.4 | I876 C877 R878 Q882 L883 A884 | I876-E880 PolarHBondContact O-N 3.31Å; C877-E880 WeakPolarHBondContact O-CB 3.29Å; C877-E880 PolarHBondContact O-N 3.04Å; R878-E880 VanDerWaalsContact C-N 3.35Å; E880-Q882 PolarHBondContact O-N 3.1Å; E880-L883 PolarHBondContact O-N 3.38Å; E880-A884 WeakPolarHBondContact O-CB 3.39Å; E880-A884 PolarHBondContact O-N 3.44Å |
| 881 | E | 91 | Very high | 88.7 | Confident | 127 Ų | 127 | 103.2 Ų | 103.2 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.4 | -44.7 | 172.4 | -71.7 | 170.1 | -175.4 | 0 | 0 | 111.7 | C877 A884 I885 | C877-E881 WeakPolarHBondContact O-CG 3.29Å; C877-E881 PolarHBondContact O-N 3.47Å; E881-A884 PolarHBondContact O-N 2.89Å; E881-I885 VanDerWaalsContact O-CG1 3.3Å; E881-I885 WeakPolarHBondContact O-CG1 3.42Å; E881-I885 PolarHBondContact O-N 2.79Å |
| 882 | Q | 91.3 | Very high | 88.1 | Confident | 122 Ų | 122 | 98.2 Ų | 98.2 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.1 | -40.1 | 176.5 | -74.8 | 176.3 | -4.3 | 0 | 0 | 112.3 | R878 L879 E880 I885 L886 | R878-Q882 WeakPolarHBondContact O-CB 3.27Å; R878-Q882 VanDerWaalsContact O-CG 3.28Å; R878-Q882 WeakPolarHBondContact O-CG 3.32Å; R878-Q882 PolarHBondContact O-N 3.33Å; L879-Q882 PolarHBondContact O-N 3.13Å; E880-Q882 PolarHBondContact O-N 3.1Å; Q882-I885 PolarHBondContact O-N 2.93Å; Q882-L886 WeakPolarHBondContact O-CB 3.15Å; Q882-L886 PolarHBondContact O-N 2.89Å |
| 883 | L | 91.4 | Very high | 87.2 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 40% | 0.398 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.4 | -175.6 | 69.9 | 0 | 0 | 0 | 111.1 | L879 E880 I885 L886 N887 | L879-L883 WeakPolarHBondContact O-CB 2.91Å; L879-L883 PolarHBondContact O-N 3.36Å; E880-L883 PolarHBondContact O-N 3.38Å; L883-I885 VanDerWaalsContact C-N 3.35Å; L883-L886 PolarHBondContact O-N 3.04Å; L883-N887 WeakPolarHBondContact O-CB 3.35Å; L883-N887 VanDerWaalsContact O-CG 3.28Å; L883-N887 PolarHBondContact O-N 3.4Å |
| 884 | A | 87.7 | Confident | 86 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E880 E881 N887 Y888 | E880-A884 WeakPolarHBondContact O-CB 3.39Å; E880-A884 PolarHBondContact O-N 3.44Å; E881-A884 PolarHBondContact O-N 2.89Å; A884-N887 PolarHBondContact O-N 2.87Å; A884-Y888 WeakPolarHBondContact O-CB 3.44Å; A884-Y888 PolarHBondContact O-N 2.77Å |
| 885 | I | 90.2 | Very high | 84.5 | Confident | 102 Ų | 102 | 101.5 Ų | 101.5 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 173.5 | -65.9 | 163.5 | 0 | 0 | 0 | 110.6 | E881 Q882 L883 Y888 I889 | E881-I885 VanDerWaalsContact O-CG1 3.3Å; E881-I885 WeakPolarHBondContact O-CG1 3.42Å; E881-I885 PolarHBondContact O-N 2.79Å; Q882-I885 PolarHBondContact O-N 2.93Å; L883-I885 VanDerWaalsContact C-N 3.35Å; I885-Y888 WeakPolarHBondContact O-CB 3.45Å; I885-Y888 PolarHBondContact O-N 3.07Å; I885-I889 HydrophobicContact CG2-CD1 3.9Å; I885-I889 HydrophobicContact CG2-CG1 4.45Å; I885-I889 WeakPolarHBondContact O-CG1 3.35Å; I885-I889 PolarHBondContact O-N 2.87Å |
| 886 | L | 88 | Confident | 82.8 | Confident | 107 Ų | 107 | 102.5 Ų | 102.5 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 178.6 | -172.2 | 71.9 | 0 | 0 | 0 | 111.5 | Q882 L883 Y888 I889 S890 | Q882-L886 WeakPolarHBondContact O-CB 3.15Å; Q882-L886 PolarHBondContact O-N 2.89Å; L883-L886 PolarHBondContact O-N 3.04Å; L886-Y888 VanDerWaalsContact C-N 3.32Å; L886-Y888 PolarHBondContact O-N 2.78Å; L886-I889 PolarHBondContact O-N 3.13Å; L886-S890 WeakPolarHBondContact O-CB 3.22Å; L886-S890 PolarHBondContact O-N 2.89Å |
| 887 | N | 83.7 | Confident | 81.1 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 175.2 | -73 | -14.1 | 0 | 0 | 0 | 110.9 | L883 A884 I889 S890 E891 | L883-N887 WeakPolarHBondContact O-CB 3.35Å; L883-N887 VanDerWaalsContact O-CG 3.28Å; L883-N887 PolarHBondContact O-N 3.4Å; A884-N887 PolarHBondContact O-N 2.87Å; N887-I889 PolarHBondContact O-N 3.07Å; N887-S890 WeakPolarHBondContact O-CB 3.45Å; N887-S890 PolarHBondContact O-N 2.85Å; N887-E891 WeakPolarHBondContact O-CG 3.24Å; N887-E891 PolarHBondContact O-N 3.49Å |
| 888 | Y | 83.4 | Confident | 78.9 | Confident | 155 Ų | 155 | 109.3 Ų | 109.3 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.1 | -44.3 | 175 | 177.7 | -102.1 | 0 | 0 | 0 | 112.2 | A884 I885 L886 S890 E891 V892 | A884-Y888 WeakPolarHBondContact O-CB 3.44Å; A884-Y888 PolarHBondContact O-N 2.77Å; I885-Y888 WeakPolarHBondContact O-CB 3.45Å; I885-Y888 PolarHBondContact O-N 3.07Å; L886-Y888 VanDerWaalsContact C-N 3.32Å; L886-Y888 PolarHBondContact O-N 2.78Å; Y888-S890 VanDerWaalsContact C-N 3.32Å; Y888-S890 PolarHBondContact O-N 3.18Å; Y888-E891 PolarHBondContact O-N 3.09Å; Y888-V892 HydrophobicContact CD1-CG2 4.37Å; Y888-V892 HydrophobicContact CD2-CG2 4.48Å; Y888-V892 HydrophobicContact CE1-CG2 3.93Å; Y888-V892 HydrophobicContact CE2-CG2 4.04Å; Y888-V892 VanDerWaalsContact O-CG2 3.29Å; Y888-V892 WeakPolarHBondContact O-CG2 3.35Å; Y888-V892 PolarHBondContact O-N 2.93Å |
| 889 | I | 83.3 | Confident | 76.8 | Confident | 87 Ų | 87 | 107.8 Ų | 107.8 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -43.9 | 175.4 | -68.2 | 166.5 | 0 | 0 | 0 | 110.3 | I885 L886 N887 E891 V892 T893 | I885-I889 HydrophobicContact CG2-CD1 3.9Å; I885-I889 HydrophobicContact CG2-CG1 4.45Å; I885-I889 WeakPolarHBondContact O-CG1 3.35Å; I885-I889 PolarHBondContact O-N 2.87Å; L886-I889 PolarHBondContact O-N 3.13Å; N887-I889 PolarHBondContact O-N 3.07Å; I889-E891 VanDerWaalsContact C-N 3.35Å; I889-E891 PolarHBondContact O-N 2.82Å; I889-V892 PolarHBondContact O-N 3.43Å; I889-T893 HydrophobicContact CG2-CG2 4.18Å; I889-T893 WeakPolarHBondContact O-CG2 3.46Å; I889-T893 PolarHBondContact O-N 2.77Å; I889-T893 PolarHBondContact O-OG1 3.42Å; I889-T893 VanDerWaalsContact O-OG1 3.05Å |
| 890 | S | 80.7 | Confident | 74.7 | Confident | 59 Ų | 59 | 109.8 Ų | 109.8 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -58.1 | -47.2 | 178 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | L886 N887 Y888 V892 T893 D894 | L886-S890 WeakPolarHBondContact O-CB 3.22Å; L886-S890 PolarHBondContact O-N 2.89Å; N887-S890 WeakPolarHBondContact O-CB 3.45Å; N887-S890 PolarHBondContact O-N 2.85Å; Y888-S890 VanDerWaalsContact C-N 3.32Å; Y888-S890 PolarHBondContact O-N 3.18Å; S890-V892 PolarHBondContact O-N 3.13Å; S890-T893 WeakPolarHBondContact CA-OG1 3.48Å; S890-T893 PolarHBondContact O-N 2.83Å; S890-T893 PolarHBondContact O-OG1 2.87Å; S890-D894 PolarHBondContact O-N 3.41Å |
| 891 | E | 79.1 | Confident | 72.5 | Confident | 134 Ų | 134 | 111.1 Ų | 111.1 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.7 | -41 | 176.7 | -74.3 | 178.9 | 175.6 | 0 | 0 | 111.9 | N887 Y888 I889 D894 | N887-E891 WeakPolarHBondContact O-CG 3.24Å; N887-E891 PolarHBondContact O-N 3.49Å; Y888-E891 PolarHBondContact O-N 3.09Å; I889-E891 VanDerWaalsContact C-N 3.35Å; I889-E891 PolarHBondContact O-N 2.82Å; E891-D894 PolarHBondContact O-N 3.2Å |
| 892 | V | 79.7 | Confident | 70 | Confident | 56 Ų | 56 | 111.2 Ų | 111.2 | 34% | 0.339 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -69.5 | -38.2 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | Y888 I889 S890 D894 E895 | Y888-V892 HydrophobicContact CD1-CG2 4.37Å; Y888-V892 HydrophobicContact CD2-CG2 4.48Å; Y888-V892 HydrophobicContact CE1-CG2 3.93Å; Y888-V892 HydrophobicContact CE2-CG2 4.04Å; Y888-V892 VanDerWaalsContact O-CG2 3.29Å; Y888-V892 WeakPolarHBondContact O-CG2 3.35Å; Y888-V892 PolarHBondContact O-N 2.93Å; I889-V892 PolarHBondContact O-N 3.43Å; S890-V892 PolarHBondContact O-N 3.13Å; V892-D894 VanDerWaalsContact C-N 3.3Å; V892-D894 PolarHBondContact O-N 3.37Å; V892-E895 PolarHBondContact O-N 3.2Å |
| 893 | T | 72.3 | Confident | 67.7 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.442 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.3 | -32.2 | 177.3 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | I889 S890 E895 H896 | I889-T893 HydrophobicContact CG2-CG2 4.18Å; I889-T893 WeakPolarHBondContact O-CG2 3.46Å; I889-T893 PolarHBondContact O-N 2.77Å; I889-T893 PolarHBondContact O-OG1 3.42Å; I889-T893 VanDerWaalsContact O-OG1 3.05Å; S890-T893 WeakPolarHBondContact CA-OG1 3.48Å; S890-T893 PolarHBondContact O-N 2.83Å; S890-T893 PolarHBondContact O-OG1 2.87Å; T893-E895 PolarHBondContact O-N 3.18Å; T893-H896 PolarHBondContact O-N 2.95Å; T893-H896 VanDerWaalsContact O-N 3.13Å |
| 894 | D | 65.1 | Low | 65.2 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.3 | -27.8 | 176.9 | -81.8 | -14.6 | 0 | 0 | 0 | 112.2 | S890 E891 V892 H896 | S890-D894 PolarHBondContact O-N 3.41Å; E891-D894 PolarHBondContact O-N 3.2Å; V892-D894 VanDerWaalsContact C-N 3.3Å; V892-D894 PolarHBondContact O-N 3.37Å; D894-H896 PolarHBondContact O-N 3.36Å |
| 895 | E | 61.7 | Low | 62.8 | Low | 160 Ų | 160 | 126.1 Ų | 126.1 | 75% | 0.748 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -13.6 | 176.3 | -67.8 | -170.5 | 165.4 | 0 | 0 | 114.4 | V892 T893 | V892-E895 PolarHBondContact O-N 3.2Å; T893-E895 PolarHBondContact O-N 3.18Å |
| 896 | H | 56.4 | Low | 60.4 | Low | 150 Ų | 150 | 127.1 Ų | 127.1 | 69% | 0.694 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 14.1 | -170.7 | -75.4 | 14.1 | 0 | 0 | 0 | 114.9 | T893 D894 I898 | T893-H896 PolarHBondContact O-N 2.95Å; T893-H896 VanDerWaalsContact O-N 3.13Å; D894-H896 PolarHBondContact O-N 3.36Å; H896-I898 PolarHBondContact O-N 3.49Å; H896-I898 VanDerWaalsContact O-N 3.12Å |
| 897 | L | 52 | Low | 58 | Low | 128 Ų | 128 | 130.4 Ų | 130.4 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | trans | -70.6 | 107 | 174.8 | -76.7 | 133.1 | 0 | 0 | 0 | 111.7 | ||||
| 898 | I | 45.2 | Very low | 55.7 | Low | 148 Ų | 148 | 135.6 Ų | 135.6 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | -77.5 | 132.1 | 161.3 | -60.4 | 169.2 | 0 | 0 | 0 | 107.6 | H896 T900 | H896-I898 PolarHBondContact O-N 3.49Å; H896-I898 VanDerWaalsContact O-N 3.12Å; I898-T900 PolarHBondContact O-N 2.82Å | ||
| 899 | P | 49.4 | Very low | 53.9 | Low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -66.5 | 129 | -172.8 | -18.4 | 31.8 | 0 | 0 | 0 | 112.8 | D901 | P899-D901 PolarHBondContact O-N 3.38Š| ||
| 900 | T | 47.8 | Very low | 51.7 | Low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 74% | 0.736 | S | S | * | * | trans | -94.5 | 85.9 | -175.9 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | I898 | I898-T900 PolarHBondContact O-N 2.82Š| ||
| 901 | D | 42.8 | Very low | 49.3 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -115.6 | 90.6 | 162.7 | -79.6 | -20.5 | 0 | 0 | 0 | 107.7 | P899 | P899-D901 PolarHBondContact O-N 3.38Š| ||
| 902 | T | 38.9 | Very low | 47.2 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 172.6 | 63.8 | 161.9 | 33.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 903 | F | 42.9 | Very low | 44.9 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | trans | -155.5 | 81.2 | 158.8 | -82 | -71.2 | 0 | 0 | 0 | 110.4 | ||||
| 904 | D | 37.9 | Very low | 43 | Very low | 165 Ų | 165 | 155.8 Ų | 155.8 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -125.3 | 89 | 166.8 | -90.7 | -27.9 | 0 | 0 | 0 | 108.7 | ||||
| 905 | E | 37.4 | Very low | 41.2 | Very low | 193 Ų | 193 | 158.8 Ų | 158.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -143.2 | 121.4 | 154.8 | -86.2 | -167.2 | 167 | 0 | 0 | 109.7 | ||||
| 906 | P | 41 | Very low | 39.8 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -89.2 | 138.9 | -177.8 | 33.7 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 907 | M | 37.8 | Very low | 38.4 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 86% | 0.862 | 82% | 0.822 | S | S | * | * | trans | -88.8 | 108.2 | -175.1 | -155.6 | -176.1 | -39.7 | 0 | 0 | 110.7 | ||||
| 908 | E | 34.9 | Very low | 37.3 | Very low | 188 Ų | 188 | 157.7 Ų | 157.7 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -79.2 | 131 | 170.4 | -70.4 | -175.6 | 153.1 | 0 | 0 | 110.6 | ||||
| 909 | L | 45.8 | Very low | 36.4 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -118 | 117.5 | 174.1 | -90.6 | 149.9 | 0 | 0 | 0 | 109.3 | ||||
| 910 | D | 36.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 156.9 Ų | 156.9 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -65.5 | 144.3 | -171.6 | -85.9 | -42.1 | 0 | 0 | 0 | 115.8 | ||||
| 911 | N | 31 | Very low | 34.5 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 83% | 0.831 | S | S | * | * | trans | -76.7 | 125.9 | 168.3 | -78.6 | -52.4 | 0 | 0 | 0 | 111.6 | ||||
| 912 | H | 34.8 | Very low | 33.8 | Very low | 187 Ų | 187 | 158.7 Ų | 158.7 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -167.8 | 129.8 | 141.8 | -92.6 | -53.2 | 0 | 0 | 0 | 112.8 | ||||
| 913 | Q | 31.2 | Very low | 33.4 | Very low | 172 Ų | 172 | 159.5 Ų | 159.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 75.3 | 88.7 | 159.7 | -62.8 | 179.2 | -6 | 0 | 0 | 119.8 | ||||
| 914 | N | 33.6 | Very low | 32.8 | Very low | 156 Ų | 156 | 155.4 Ų | 155.4 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | -174.4 | 90.1 | 117.4 | -93.2 | -24 | 0 | 0 | 0 | 111.1 | V916 | N914-V916 PolarHBondContact O-N 2.96Š| |||
| 915 | N | 27.2 | Very low | 32.4 | Very low | 174 Ų | 174 | 154 Ų | 154 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -74 | 94.2 | 159.9 | -84.1 | -23.4 | 0 | 0 | 0 | 108.4 | ||||
| 916 | V | 32.1 | Very low | 32.1 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 68% | 0.679 | 81% | 0.809 | S | S | * | * | trans | -123.3 | 96.1 | 153.1 | -178.5 | 0 | 0 | 0 | 0 | 107 | N914 F918 | N914-V916 PolarHBondContact O-N 2.96Å; V916-F918 HydrophobicContact CG1-CD2 3.97Å; V916-F918 HydrophobicContact CG1-CE2 4.25Å; V916-F918 PolarHBondContact O-N 2.6Å | ||
| 917 | S | 26.9 | Very low | 31.5 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -65.9 | 103.9 | 167.7 | 51 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 918 | F | 27.9 | Very low | 31.3 | Very low | 193 Ų | 193 | 149.1 Ų | 149.1 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -101.5 | 87.5 | 151.2 | -96.7 | -82.2 | 0 | 0 | 0 | 107.8 | V916 | V916-F918 HydrophobicContact CG1-CD2 3.97Å; V916-F918 HydrophobicContact CG1-CE2 4.25Å; V916-F918 PolarHBondContact O-N 2.6Å | ||
| 919 | N | 27.3 | Very low | 31.2 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -80.9 | 140.5 | 157.6 | -92.7 | -23.3 | 0 | 0 | 0 | 108.4 | ||||
| 920 | S | 28.3 | Very low | 30.5 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | 64.2 | 101.9 | 168.5 | 67.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 921 | T | 29.2 | Very low | 30.2 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 83% | 0.828 | 82% | 0.82 | S | S | * | * | -157.1 | 139.3 | 105.7 | 33.9 | 0 | 0 | 0 | 0 | 109.5 | D923 | T921-D923 PolarHBondContact O-N 3.3Š| |||
| 922 | Q | 27.7 | Very low | 30.1 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -52.8 | 123.3 | 172.1 | -65.6 | 160.3 | -35.5 | 0 | 0 | 110.3 | ||||
| 923 | D | 30.2 | Very low | 29.8 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -129.4 | 91 | 150.7 | -87.6 | -35.4 | 0 | 0 | 0 | 107.3 | T921 N925 | T921-D923 PolarHBondContact O-N 3.3Å; D923-N925 VanDerWaalsContact C-N 3.27Å; D923-N925 PolarHBondContact O-N 3.36Å; D923-N925 VanDerWaalsContact O-N 3.11Å | ||
| 924 | V | 30.2 | Very low | 29.8 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | trans | -66.9 | 95.1 | 155.4 | 175.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 925 | N | 29.5 | Very low | 29.5 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -129.8 | 89.5 | 157.2 | -93.3 | -29.2 | 0 | 0 | 0 | 108.3 | D923 S927 | D923-N925 VanDerWaalsContact C-N 3.27Å; D923-N925 PolarHBondContact O-N 3.36Å; D923-N925 VanDerWaalsContact O-N 3.11Å; N925-S927 VanDerWaalsContact C-N 3.34Å; N925-S927 PolarHBondContact O-N 3.39Å | ||
| 926 | T | 31 | Very low | 29.7 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -54.6 | 97.1 | 151.7 | 43 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 927 | S | 27.9 | Very low | 29.5 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -104.9 | 85.2 | 152.3 | 61.9 | 0 | 0 | 0 | 0 | 107.4 | N925 | N925-S927 VanDerWaalsContact C-N 3.34Å; N925-S927 PolarHBondContact O-N 3.39Å | ||
| 928 | I | 33.6 | Very low | 29.7 | Very low | 158 Ų | 158 | 145 Ų | 145 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -90.5 | 104 | 163.7 | -64.1 | 173.2 | 0 | 0 | 0 | 105.8 | ||||
| 929 | S | 33.6 | Very low | 29.9 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 100% | 1.252 | 82% | 0.824 | S | S | * | * | trans | -75.9 | 0 | 157.2 | 58 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 929 of 929 residues in 1513.2 ms
(Link to these results)