| 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 | 40.4 | Very low | 60.3 | Low | 245 Ų | 245 | 150.6 Ų | 150.6 | 100% | 1.207 | 75% | 0.747 | S | S | * | * | 0 | 107.4 | 0 | -78.6 | 173.6 | 157.8 | 0 | 0 | 109.6 | |||||
| 2 | K | 47.4 | Very low | 61.2 | Low | 220 Ų | 220 | 151.2 Ų | 151.2 | 96% | 0.957 | 73% | 0.734 | S | S | * | * | trans | -83.2 | 118 | 171.5 | -74.9 | -176.9 | 176.4 | -179.9 | 0 | 108.4 | ||||
| 3 | K | 46.2 | Very low | 62.5 | Low | 201 Ų | 201 | 149.4 Ų | 149.4 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | trans | -64.2 | 128.4 | 178.8 | -74.4 | 179.4 | 174.5 | 179.1 | 0 | 110.3 | V5 | K3-V5 PolarHBondContact O-N 2.76Š| ||
| 4 | A | 55 | Low | 63.4 | Low | 102 Ų | 102 | 147.7 Ų | 147.7 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | trans | -74 | 115.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q6 | A4-Q6 PolarHBondContact O-N 2.8Š| ||
| 5 | V | 62.9 | Low | 63.9 | Low | 128 Ų | 128 | 144.9 Ų | 144.9 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -73.1 | 121.5 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | K3 Q7 | K3-V5 PolarHBondContact O-N 2.76Å; V5-Q7 PolarHBondContact O-N 3.39Å | ||
| 6 | Q | 58.2 | Low | 64.6 | Low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 68% | 0.68 | S | S | * | * | trans | -70.7 | 108.3 | 176.5 | -133.4 | 177.7 | -9.9 | 0 | 0 | 109.6 | A4 | A4-Q6 PolarHBondContact O-N 2.8Š| ||
| 7 | Q | 62.9 | Low | 65.5 | Low | 74 Ų | 74 | 138.6 Ų | 138.6 | 35% | 0.346 | 67% | 0.668 | S | S | . | * | trans | -80.7 | 134 | 178.9 | -70.2 | -177.4 | -17 | 0 | 0 | 111.9 | V5 R12 | V5-Q7 PolarHBondContact O-N 3.39Å; Q7-R12 HydrophobicContact CB-CG 4.27Å | ||
| 8 | S | 71 | Confident | 66.4 | Low | 70 Ų | 70 | 137 Ų | 137 | 49% | 0.49 | 66% | 0.655 | S | S | . | * | trans | -53.5 | 142.9 | 172.8 | 160.2 | 0 | 0 | 0 | 0 | 111.9 | F10 T11 R12 | S8-F10 PolarHBondContact O-N 3.43Å; S8-F10 PolarHBondContact OG-N 3.27Å; S8-T11 WeakPolarHBondContact O-CA 3.22Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.3Å; S8-R12 PolarHBondContact O-N 3.26Å | ||
| 9 | R | 74.1 | Confident | 67 | Low | 232 Ų | 232 | 131.5 Ų | 131.5 | 88% | 0.875 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -52.7 | -38.3 | 178.4 | -77.5 | -170.4 | -178.5 | -172.7 | 1.4 | 112.3 | R12 F13 | R9-R12 PolarHBondContact O-N 2.98Å; R9-F13 PolarHBondContact O-N 3.23Å |
| 10 | F | 75.4 | Confident | 67.5 | Low | 129 Ų | 129 | 128.6 Ų | 128.6 | 57% | 0.566 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 179.2 | -167.7 | -109.9 | 0 | 0 | 0 | 112 | S8 R12 F13 K14 | S8-F10 PolarHBondContact O-N 3.43Å; S8-F10 PolarHBondContact OG-N 3.27Å; F10-R12 VanDerWaalsContact C-N 3.34Å; F10-F13 PolarHBondContact O-N 3.22Å; F10-K14 HydrophobicContact CD1-CD 4.16Å; F10-K14 HydrophobicContact CE1-CD 3.8Å; F10-K14 HydrophobicContact CE1-CG 4.34Å; F10-K14 HydrophobicContact CZ-CD 4.4Å; F10-K14 WeakPolarHBondContact O-CB 3.47Å; F10-K14 PolarHBondContact O-N 3.21Å |
| 11 | T | 70.1 | Confident | 67.9 | Low | 61 Ų | 61 | 129.7 Ų | 129.7 | 37% | 0.374 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.4 | -36.8 | 174.4 | -42.5 | 0 | 0 | 0 | 0 | 111.3 | S8 R15 | S8-T11 WeakPolarHBondContact O-CA 3.22Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.3Å; T11-R15 WeakPolarHBondContact O-CB 3.34Å; T11-R15 WeakPolarHBondContact O-CG 3.38Å; T11-R15 PolarHBondContact O-N 3.44Å |
| 12 | R | 71.5 | Confident | 69.5 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.6 | -49.9 | 170.6 | -79.4 | -172.8 | 176.7 | -168.8 | -0.7 | 111.4 | Q7 S8 R9 F10 K14 R15 T16 | Q7-R12 HydrophobicContact CB-CG 4.27Å; S8-R12 PolarHBondContact O-N 3.26Å; R9-R12 PolarHBondContact O-N 2.98Å; F10-R12 VanDerWaalsContact C-N 3.34Å; R12-K14 PolarHBondContact O-N 3.36Å; R12-R15 CarbonylContact O-C 3.55Å; R12-R15 PolarHBondContact O-N 3.01Å; R12-R15 VanDerWaalsContact O-N 3.15Å; R12-T16 PolarHBondContact O-N 3.11Å; R12-T16 PolarHBondContact O-OG1 3.25Å |
| 13 | F | 77 | Confident | 70.8 | Confident | 128 Ų | 128 | 119.8 Ų | 119.8 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.8 | -45.2 | 178.9 | -176.7 | -100 | 0 | 0 | 0 | 112.4 | R9 F10 R15 T16 L17 | R9-F13 PolarHBondContact O-N 3.23Å; F10-F13 PolarHBondContact O-N 3.22Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 2.88Å; F13-T16 WeakPolarHBondContact O-CB 3.48Å; F13-T16 PolarHBondContact O-N 2.92Å; F13-T16 VanDerWaalsContact O-N 3.15Å; F13-L17 HydrophobicContact CE1-CD1 4.2Å; F13-L17 HydrophobicContact CZ-CD1 4.11Å; F13-L17 PolarHBondContact O-N 2.96Å |
| 14 | K | 75.1 | Confident | 72.5 | Confident | 126 Ų | 126 | 112.5 Ų | 112.5 | 55% | 0.548 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 173.7 | -81.9 | -172.8 | 168.2 | -178.5 | 0 | 112.2 | F10 R12 T16 L17 Y18 | F10-K14 HydrophobicContact CD1-CD 4.16Å; F10-K14 HydrophobicContact CE1-CD 3.8Å; F10-K14 HydrophobicContact CE1-CG 4.34Å; F10-K14 HydrophobicContact CZ-CD 4.4Å; F10-K14 WeakPolarHBondContact O-CB 3.47Å; F10-K14 PolarHBondContact O-N 3.21Å; R12-K14 PolarHBondContact O-N 3.36Å; K14-T16 VanDerWaalsContact C-N 3.32Å; K14-T16 PolarHBondContact O-N 2.73Å; K14-L17 PolarHBondContact O-N 3.04Å; K14-Y18 PolarHBondContact O-N 2.85Å; K14-Y18 VanDerWaalsContact O-O 3.13Å |
| 15 | R | 71.2 | Confident | 73.7 | Confident | 105 Ų | 105 | 110.9 Ų | 110.9 | 40% | 0.396 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -31.6 | 174.8 | -80.5 | -179.3 | 173 | -148 | -7 | 113.2 | T11 R12 F13 Y18 | T11-R15 WeakPolarHBondContact O-CB 3.34Å; T11-R15 WeakPolarHBondContact O-CG 3.38Å; T11-R15 PolarHBondContact O-N 3.44Å; R12-R15 CarbonylContact O-C 3.55Å; R12-R15 PolarHBondContact O-N 3.01Å; R12-R15 VanDerWaalsContact O-N 3.15Å; F13-R15 VanDerWaalsContact C-N 3.34Å; F13-R15 PolarHBondContact O-N 2.88Å; R15-Y18 CarbonylContact O-C 3.46Å |
| 16 | T | 74.5 | Confident | 74.5 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.5 | -36.9 | 173.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | R12 F13 K14 | R12-T16 PolarHBondContact O-N 3.11Å; R12-T16 PolarHBondContact O-OG1 3.25Å; F13-T16 WeakPolarHBondContact O-CB 3.48Å; F13-T16 PolarHBondContact O-N 2.92Å; F13-T16 VanDerWaalsContact O-N 3.15Å; K14-T16 VanDerWaalsContact C-N 3.32Å; K14-T16 PolarHBondContact O-N 2.73Å |
| 17 | L | 80.9 | Confident | 75.3 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.5 | -46.1 | 178.6 | -146.7 | 102.7 | 0 | 0 | 0 | 111.6 | F13 K14 I25 L26 | F13-L17 HydrophobicContact CE1-CD1 4.2Å; F13-L17 HydrophobicContact CZ-CD1 4.11Å; F13-L17 PolarHBondContact O-N 2.96Å; K14-L17 PolarHBondContact O-N 3.04Å; L17-I25 WeakPolarHBondContact O-CA 3.22Å; L17-L26 HydrophobicContact CD1-CD2 4.17Å; L17-L26 HydrophobicContact CG-CD2 4.3Å; L17-L26 PolarHBondContact O-N 2.89Å |
| 18 | Y | 81.5 | Confident | 76.2 | Confident | 110 Ų | 110 | 106 Ų | 106 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 119.5 | 178.3 | -179.1 | -115.9 | 0 | 0 | 0 | 110.8 | K14 R15 P20 E24 I25 | K14-Y18 PolarHBondContact O-N 2.85Å; K14-Y18 VanDerWaalsContact O-O 3.13Å; R15-Y18 CarbonylContact O-C 3.46Å; Y18-P20 HydrophobicContact CD1-CB 4.44Å; Y18-P20 HydrophobicContact CE1-CB 3.91Å; Y18-P20 WeakPolarHBondContact O-CD 3.49Å; Y18-E24 WeakPolarHBondContact CA-O 3.28Å; Y18-I25 HydrophobicContact CD2-CG1 3.79Å; Y18-I25 HydrophobicContact CE2-CG1 4.2Å |
| 19 | N | 78.5 | Confident | 76.9 | Confident | 32 Ų | 32 | 104.7 Ų | 104.7 | 17% | 0.171 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 102.1 | 174.1 | -173.1 | -0.1 | 0 | 0 | 0 | 109.9 | E21 K22 H23 E24 | N19-E21 VanDerWaalsContact C-N 3.27Å; N19-E21 PolarHBondContact O-N 3.05Å; N19-E21 PolarHBondContact OD1-N 3.47Å; N19-K22 PolarHBondContact O-N 3.07Å; N19-H23 WeakPolarHBondContact O-CA 3.5Å; N19-H23 PolarHBondContact O-N 3.37Å; N19-E24 HydrophobicContact CB-CB 4.31Å; N19-E24 PolarHBondContact N-O 3.29Å; N19-E24 PolarHBondContact O-N 3.47Å |
| 20 | P | 76.3 | Confident | 77.3 | Confident | 74 Ų | 74 | 97 Ų | 97 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24 | -175.9 | 27.4 | -35 | 0 | 0 | 0 | 113.5 | Y18 | Y18-P20 HydrophobicContact CD1-CB 4.44Å; Y18-P20 HydrophobicContact CE1-CB 3.91Å; Y18-P20 WeakPolarHBondContact O-CD 3.49Å |
| 21 | E | 76.6 | Confident | 77.9 | Confident | 152 Ų | 152 | 100.4 Ų | 100.4 | 71% | 0.71 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -31.2 | -179.6 | -70.1 | 177.2 | -167.9 | 0 | 0 | 112.5 | N19 | N19-E21 VanDerWaalsContact C-N 3.27Å; N19-E21 PolarHBondContact O-N 3.05Å; N19-E21 PolarHBondContact OD1-N 3.47Å |
| 22 | K | 73.6 | Confident | 78.7 | Confident | 132 Ų | 132 | 100.8 Ų | 100.8 | 57% | 0.574 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -2.1 | -178.5 | -64.6 | -169.8 | 177.6 | -174.5 | 0 | 113.8 | N19 E24 | N19-K22 PolarHBondContact O-N 3.07Å; K22-E24 HydrophobicContact CB-CG 3.79Å; K22-E24 VanDerWaalsContact CD-OE1 3.27Å; K22-E24 WeakPolarHBondContact CD-OE1 3.39Å; K22-E24 PolarHBondContact O-N 2.98Å |
| 23 | H | 73.6 | Confident | 79.5 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 57% | 0.574 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 42.6 | -170.4 | -62 | -73.4 | 0 | 0 | 0 | 113 | N19 | N19-H23 WeakPolarHBondContact O-CA 3.5Å; N19-H23 PolarHBondContact O-N 3.37Å |
| 24 | E | 81.9 | Confident | 80.2 | Confident | 49 Ų | 49 | 96.7 Ų | 96.7 | 23% | 0.229 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.3 | 178.2 | -67.6 | 166.3 | 177.1 | 0 | 0 | 110.4 | Y18 N19 K22 R28 T29 | Y18-E24 WeakPolarHBondContact CA-O 3.28Å; N19-E24 HydrophobicContact CB-CB 4.31Å; N19-E24 PolarHBondContact N-O 3.29Å; N19-E24 PolarHBondContact O-N 3.47Å; K22-E24 HydrophobicContact CB-CG 3.79Å; K22-E24 VanDerWaalsContact CD-OE1 3.27Å; K22-E24 WeakPolarHBondContact CD-OE1 3.39Å; K22-E24 PolarHBondContact O-N 2.98Å; E24-R28 CarbonylContact C-O 3.59Å; E24-R28 VanDerWaalsContact CA-O 3.26Å; E24-R28 WeakPolarHBondContact CA-O 3.35Å; E24-T29 HydrophobicContact CG-CG2 3.99Å |
| 25 | I | 80.6 | Confident | 81 | Confident | 68 Ų | 68 | 96 Ų | 96 | 35% | 0.349 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.3 | 171.9 | -60.8 | 167.1 | 0 | 0 | 0 | 107.6 | L17 Y18 G27 R28 W33 | L17-I25 WeakPolarHBondContact O-CA 3.22Å; Y18-I25 HydrophobicContact CD2-CG1 3.79Å; Y18-I25 HydrophobicContact CE2-CG1 4.2Å; I25-G27 PolarHBondContact O-N 3.45Å; I25-R28 PolarHBondContact N-O 3.43Å; I25-R28 PolarHBondContact O-N 3.32Å; I25-R28 VanDerWaalsContact O-N 3.15Å; I25-R28 VanDerWaalsContact O-O 3.12Å; I25-W33 PolarHBondContact O-NE1 3.48Å |
| 26 | L | 80.4 | Confident | 82 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 55% | 0.55 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 39.6 | -176.4 | -64.7 | 171.4 | 0 | 0 | 0 | 113.2 | L17 W33 | L17-L26 HydrophobicContact CD1-CD2 4.17Å; L17-L26 HydrophobicContact CG-CD2 4.3Å; L17-L26 PolarHBondContact O-N 2.89Å; L26-W33 HydrophobicContact CB-CZ2 4.29Å; L26-W33 HydrophobicContact CD1-CZ2 4.3Å |
| 27 | G | 75.3 | Confident | 83 | Confident | 56 Ų | 56 | 94.9 Ų | 94.9 | 58% | 0.577 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 11.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | I25 | I25-G27 PolarHBondContact O-N 3.45Š|
| 28 | R | 81.1 | Confident | 83.7 | Confident | 134 Ų | 134 | 95.1 Ų | 95.1 | 51% | 0.506 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.2 | 173.5 | -63.7 | -166.1 | -177.8 | -168.3 | 0.6 | 111.9 | E24 I25 D32 I36 | E24-R28 CarbonylContact C-O 3.59Å; E24-R28 VanDerWaalsContact CA-O 3.26Å; E24-R28 WeakPolarHBondContact CA-O 3.35Å; I25-R28 PolarHBondContact N-O 3.43Å; I25-R28 PolarHBondContact O-N 3.32Å; I25-R28 VanDerWaalsContact O-N 3.15Å; I25-R28 VanDerWaalsContact O-O 3.12Å; R28-D32 HydrophobicContact CB-CB 3.99Å; R28-I36 VanDerWaalsContact CD-CD1 3.5Å |
| 29 | T | 85.6 | Confident | 84.4 | Confident | 41 Ų | 41 | 96 Ų | 96 | 25% | 0.252 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 158.2 | 177.1 | 66.5 | 0 | 0 | 0 | 0 | 111 | E24 R31 D32 W33 | E24-T29 HydrophobicContact CG-CG2 3.99Å; T29-R31 PolarHBondContact O-N 3.21Å; T29-D32 PolarHBondContact N-OD2 2.86Å; T29-D32 WeakPolarHBondContact O-CB 3.38Å; T29-D32 PolarHBondContact O-N 3.26Å; T29-D32 PolarHBondContact OG1-N 3.35Å; T29-D32 PolarHBondContact OG1-OD2 2.9Å; T29-W33 PolarHBondContact O-N 3.18Å |
| 30 | C | 83.5 | Confident | 85.2 | Confident | 71 Ų | 71 | 100 Ų | 100 | 48% | 0.48 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.8 | -34.9 | 174.7 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | W33 V34 | C30-W33 PolarHBondContact O-N 3.02Å; C30-V34 WeakPolarHBondContact O-CG2 3.29Å; C30-V34 PolarHBondContact O-N 3.33Å |
| 31 | R | 86.3 | Confident | 86.2 | Confident | 201 Ų | 201 | 99.7 Ų | 99.7 | 76% | 0.758 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 174.9 | -176.8 | -179.3 | 177.3 | -176 | -0.8 | 111.6 | T29 V34 L35 | T29-R31 PolarHBondContact O-N 3.21Å; R31-V34 PolarHBondContact O-N 3.34Å; R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 2.85Å |
| 32 | D | 87.9 | Confident | 87.2 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 37% | 0.369 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.8 | -59.2 | -37.6 | 0 | 0 | 0 | 111.1 | R28 T29 V34 L35 I36 | R28-D32 HydrophobicContact CB-CB 3.99Å; T29-D32 PolarHBondContact N-OD2 2.86Å; T29-D32 WeakPolarHBondContact O-CB 3.38Å; T29-D32 PolarHBondContact O-N 3.26Å; T29-D32 PolarHBondContact OG1-N 3.35Å; T29-D32 PolarHBondContact OG1-OD2 2.9Å; D32-V34 PolarHBondContact O-N 2.74Å; D32-L35 PolarHBondContact O-N 2.82Å; D32-I36 HydrophobicContact CB-CD1 4.48Å; D32-I36 WeakPolarHBondContact O-CB 3.32Å; D32-I36 WeakPolarHBondContact O-CD1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.49Å; D32-I36 PolarHBondContact O-N 2.84Å |
| 33 | W | 87.9 | Confident | 88.3 | Confident | 114 Ų | 114 | 91.2 Ų | 91.2 | 43% | 0.432 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.1 | -88.2 | 108.1 | 0 | 0 | 0 | 112.8 | I25 L26 T29 C30 L35 I36 F37 | I25-W33 PolarHBondContact O-NE1 3.48Å; L26-W33 HydrophobicContact CB-CZ2 4.29Å; L26-W33 HydrophobicContact CD1-CZ2 4.3Å; T29-W33 PolarHBondContact O-N 3.18Å; C30-W33 PolarHBondContact O-N 3.02Å; W33-L35 VanDerWaalsContact C-N 3.34Å; W33-L35 PolarHBondContact O-N 2.67Å; W33-I36 PolarHBondContact O-N 2.76Å; W33-F37 WeakPolarHBondContact O-CB 3.26Å; W33-F37 PolarHBondContact O-N 2.93Å |
| 34 | V | 91.6 | Very high | 89.5 | Confident | 85 Ų | 85 | 92.3 Ų | 92.3 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | C30 R31 D32 F37 I38 | C30-V34 WeakPolarHBondContact O-CG2 3.29Å; C30-V34 PolarHBondContact O-N 3.33Å; R31-V34 PolarHBondContact O-N 3.34Å; D32-V34 PolarHBondContact O-N 2.74Å; V34-F37 PolarHBondContact O-N 3.37Å; V34-I38 HydrophobicContact CG1-CD1 3.71Å; V34-I38 HydrophobicContact CG1-CG1 4.37Å; V34-I38 WeakPolarHBondContact O-CB 3.34Å; V34-I38 VanDerWaalsContact O-CG1 3.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.22Å; V34-I38 PolarHBondContact O-N 3.33Å |
| 35 | L | 92.3 | Very high | 90.2 | Very high | 111 Ų | 111 | 93.4 Ų | 93.4 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 179.2 | -168.3 | 144.7 | 0 | 0 | 0 | 112.2 | R31 D32 W33 F39 | R31-L35 WeakPolarHBondContact O-CB 3.48Å; R31-L35 PolarHBondContact O-N 2.85Å; D32-L35 PolarHBondContact O-N 2.82Å; W33-L35 VanDerWaalsContact C-N 3.34Å; W33-L35 PolarHBondContact O-N 2.67Å; L35-F39 VanDerWaalsContact O-CB 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 PolarHBondContact O-N 3.41Å |
| 36 | I | 92.9 | Very high | 91 | Very high | 32 Ų | 32 | 96.8 Ų | 96.8 | 16% | 0.164 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.4 | -65.6 | 153.4 | 0 | 0 | 0 | 110.3 | R28 D32 W33 F39 Y40 | R28-I36 VanDerWaalsContact CD-CD1 3.5Å; D32-I36 HydrophobicContact CB-CD1 4.48Å; D32-I36 WeakPolarHBondContact O-CB 3.32Å; D32-I36 WeakPolarHBondContact O-CD1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.49Å; D32-I36 PolarHBondContact O-N 2.84Å; W33-I36 PolarHBondContact O-N 2.76Å; I36-F39 WeakPolarHBondContact O-CB 3.45Å; I36-F39 PolarHBondContact O-N 3.23Å; I36-Y40 HydrophobicContact CG2-CD2 3.57Å; I36-Y40 HydrophobicContact CG2-CE2 3.61Å; I36-Y40 VanDerWaalsContact O-CD2 3.26Å; I36-Y40 WeakPolarHBondContact O-CD2 3.32Å; I36-Y40 PolarHBondContact O-N 3.16Å |
| 37 | F | 93.9 | Very high | 91.8 | Very high | 142 Ų | 142 | 97 Ų | 97 | 62% | 0.623 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.2 | -49.3 | 178.9 | 179.2 | -98.7 | 0 | 0 | 0 | 111.3 | W33 V34 F39 Y40 V41 | W33-F37 WeakPolarHBondContact O-CB 3.26Å; W33-F37 PolarHBondContact O-N 2.93Å; V34-F37 PolarHBondContact O-N 3.37Å; F37-F39 VanDerWaalsContact C-N 3.32Å; F37-F39 PolarHBondContact O-N 3.37Å; F37-Y40 PolarHBondContact O-N 2.7Å; F37-V41 HydrophobicContact CD1-CG2 4.08Å; F37-V41 HydrophobicContact CD2-CG2 4.47Å; F37-V41 HydrophobicContact CE1-CG2 3.69Å; F37-V41 HydrophobicContact CE2-CG2 4.11Å; F37-V41 HydrophobicContact CG-CG2 4.46Å; F37-V41 HydrophobicContact CZ-CG2 3.7Å; F37-V41 WeakPolarHBondContact O-CB 3.38Å; F37-V41 VanDerWaalsContact O-CG2 3.29Å; F37-V41 WeakPolarHBondContact O-CG2 3.03Å; F37-V41 PolarHBondContact O-N 3.15Å |
| 38 | I | 95.8 | Very high | 92.9 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.9 | -68.5 | 168 | 0 | 0 | 0 | 110.6 | V34 Y40 V41 V42 | V34-I38 HydrophobicContact CG1-CD1 3.71Å; V34-I38 HydrophobicContact CG1-CG1 4.37Å; V34-I38 WeakPolarHBondContact O-CB 3.34Å; V34-I38 VanDerWaalsContact O-CG1 3.27Å; V34-I38 WeakPolarHBondContact O-CG1 3.22Å; V34-I38 PolarHBondContact O-N 3.33Å; I38-Y40 PolarHBondContact O-N 3.4Å; I38-V41 PolarHBondContact O-N 3.08Å; I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 WeakPolarHBondContact O-CG2 3.43Å; I38-V42 PolarHBondContact O-N 2.54Å |
| 39 | F | 96.2 | Very high | 93.7 | Very high | 128 Ų | 128 | 95.5 Ų | 95.5 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56.3 | -49.5 | 176.5 | 169.5 | -95.5 | 0 | 0 | 0 | 111.7 | L35 I36 F37 V42 A43 | L35-F39 VanDerWaalsContact O-CB 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.41Å; L35-F39 PolarHBondContact O-N 3.41Å; I36-F39 WeakPolarHBondContact O-CB 3.45Å; I36-F39 PolarHBondContact O-N 3.23Å; F37-F39 VanDerWaalsContact C-N 3.32Å; F37-F39 PolarHBondContact O-N 3.37Å; F39-V42 PolarHBondContact O-N 3.08Å; F39-A43 VanDerWaalsContact O-CB 3.25Å; F39-A43 WeakPolarHBondContact O-CB 3.32Å; F39-A43 PolarHBondContact O-N 2.86Å |
| 40 | Y | 96.6 | Very high | 94.2 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 46% | 0.459 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 179.2 | -83.5 | -68.8 | 0 | 0 | 0 | 112.2 | I36 F37 I38 V42 A43 Y44 | I36-Y40 HydrophobicContact CG2-CD2 3.57Å; I36-Y40 HydrophobicContact CG2-CE2 3.61Å; I36-Y40 VanDerWaalsContact O-CD2 3.26Å; I36-Y40 WeakPolarHBondContact O-CD2 3.32Å; I36-Y40 PolarHBondContact O-N 3.16Å; F37-Y40 PolarHBondContact O-N 2.7Å; I38-Y40 PolarHBondContact O-N 3.4Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-V42 PolarHBondContact O-N 3.09Å; Y40-A43 PolarHBondContact O-N 3.01Å; Y40-Y44 AromaticContact CD1-CD2 3.97Å; Y40-Y44 HydrophobicContact CD1-CD2 3.97Å; Y40-Y44 AromaticContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CD1-CE2 3.46Å; Y40-Y44 VanDerWaalsContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CE1-CE2 4.19Å; Y40-Y44 HydrophobicContact CG-CE2 4.27Å; Y40-Y44 VanDerWaalsContact O-CB 3.29Å; Y40-Y44 WeakPolarHBondContact O-CB 3.3Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.42Å; Y40-Y44 PolarHBondContact O-N 3.17Å |
| 41 | V | 97.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 103.6 Ų | 103.6 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.6 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | F37 I38 T45 | F37-V41 HydrophobicContact CD1-CG2 4.08Å; F37-V41 HydrophobicContact CD2-CG2 4.47Å; F37-V41 HydrophobicContact CE1-CG2 3.69Å; F37-V41 HydrophobicContact CE2-CG2 4.11Å; F37-V41 HydrophobicContact CG-CG2 4.46Å; F37-V41 HydrophobicContact CZ-CG2 3.7Å; F37-V41 WeakPolarHBondContact O-CB 3.38Å; F37-V41 VanDerWaalsContact O-CG2 3.29Å; F37-V41 WeakPolarHBondContact O-CG2 3.03Å; F37-V41 PolarHBondContact O-N 3.15Å; I38-V41 PolarHBondContact O-N 3.08Å; V41-T45 WeakPolarHBondContact O-CB 3.27Å; V41-T45 WeakPolarHBondContact O-CG2 3.25Å; V41-T45 PolarHBondContact O-N 3.45Å; V41-T45 PolarHBondContact O-OG1 3.22Å |
| 42 | V | 97.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 98.5 Ų | 98.5 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | I38 F39 Y40 Y44 T45 F46 | I38-V42 HydrophobicContact CG2-CG2 4.35Å; I38-V42 WeakPolarHBondContact O-CG2 3.43Å; I38-V42 PolarHBondContact O-N 2.54Å; F39-V42 PolarHBondContact O-N 3.08Å; Y40-V42 VanDerWaalsContact C-N 3.34Å; Y40-V42 PolarHBondContact O-N 3.09Å; V42-Y44 PolarHBondContact O-N 2.97Å; V42-T45 WeakPolarHBondContact CA-OG1 3.44Å; V42-T45 PolarHBondContact O-N 2.91Å; V42-T45 PolarHBondContact O-OG1 3.48Å; V42-F46 HydrophobicContact CG1-CD2 3.76Å; V42-F46 HydrophobicContact CG1-CE2 3.49Å; V42-F46 VanDerWaalsContact CG1-CE2 3.49Å; V42-F46 WeakPolarHBondContact O-CD2 3.27Å; V42-F46 PolarHBondContact O-N 3.07Å; V42-F46 VanDerWaalsContact O-N 3.09Å |
| 43 | A | 96.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 96.8 Ų | 96.8 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F39 Y40 F46 L47 | F39-A43 VanDerWaalsContact O-CB 3.25Å; F39-A43 WeakPolarHBondContact O-CB 3.32Å; F39-A43 PolarHBondContact O-N 2.86Å; Y40-A43 PolarHBondContact O-N 3.01Å; A43-F46 PolarHBondContact O-N 3.39Å; A43-L47 PolarHBondContact O-N 3.41Å |
| 44 | Y | 97.5 | Very high | 96.3 | Very high | 147 Ų | 147 | 96.6 Ų | 96.6 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.6 | -31 | 178.8 | -81.1 | -70.1 | 0 | 0 | 0 | 112.7 | Y40 V42 L47 A48 | Y40-Y44 AromaticContact CD1-CD2 3.97Å; Y40-Y44 HydrophobicContact CD1-CD2 3.97Å; Y40-Y44 AromaticContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CD1-CE2 3.46Å; Y40-Y44 VanDerWaalsContact CD1-CE2 3.46Å; Y40-Y44 HydrophobicContact CE1-CE2 4.19Å; Y40-Y44 HydrophobicContact CG-CE2 4.27Å; Y40-Y44 VanDerWaalsContact O-CB 3.29Å; Y40-Y44 WeakPolarHBondContact O-CB 3.3Å; Y40-Y44 WeakPolarHBondContact O-CD2 3.42Å; Y40-Y44 PolarHBondContact O-N 3.17Å; V42-Y44 PolarHBondContact O-N 2.97Å; Y44-L47 PolarHBondContact O-N 2.91Å; Y44-A48 VanDerWaalsContact O-CB 3.23Å; Y44-A48 WeakPolarHBondContact O-CB 3.45Å; Y44-A48 PolarHBondContact O-N 3.4Å |
| 45 | T | 97.4 | Very high | 96.4 | Very high | 72 Ų | 72 | 96.1 Ų | 96.1 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 172.7 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | V41 V42 A48 L49 | V41-T45 WeakPolarHBondContact O-CB 3.27Å; V41-T45 WeakPolarHBondContact O-CG2 3.25Å; V41-T45 PolarHBondContact O-N 3.45Å; V41-T45 PolarHBondContact O-OG1 3.22Å; V42-T45 WeakPolarHBondContact CA-OG1 3.44Å; V42-T45 PolarHBondContact O-N 2.91Å; V42-T45 PolarHBondContact O-OG1 3.48Å; T45-A48 PolarHBondContact O-N 2.8Å; T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 3.3Å |
| 46 | F | 97.5 | Very high | 96.6 | Very high | 140 Ų | 140 | 93.1 Ų | 93.1 | 61% | 0.614 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 173.1 | -79 | -65.6 | 0 | 0 | 0 | 112.5 | V42 A43 L49 F50 | V42-F46 HydrophobicContact CG1-CD2 3.76Å; V42-F46 HydrophobicContact CG1-CE2 3.49Å; V42-F46 VanDerWaalsContact CG1-CE2 3.49Å; V42-F46 WeakPolarHBondContact O-CD2 3.27Å; V42-F46 PolarHBondContact O-N 3.07Å; V42-F46 VanDerWaalsContact O-N 3.09Å; A43-F46 PolarHBondContact O-N 3.39Å; F46-L49 PolarHBondContact O-N 3.07Å; F46-F50 WeakPolarHBondContact O-CB 3.31Å; F46-F50 PolarHBondContact O-N 3.05Å |
| 47 | L | 97.4 | Very high | 96.6 | Very high | 109 Ų | 109 | 95.8 Ų | 95.8 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 177.7 | -171.9 | 147.5 | 0 | 0 | 0 | 111.8 | A43 Y44 F50 F51 | A43-L47 PolarHBondContact O-N 3.41Å; Y44-L47 PolarHBondContact O-N 2.91Å; L47-F50 PolarHBondContact O-N 2.88Å; L47-F51 WeakPolarHBondContact O-CB 3.22Å; L47-F51 PolarHBondContact O-N 3.08Å |
| 48 | A | 97.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 94.4 Ų | 94.4 | 36% | 0.364 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y44 T45 F51 I52 | Y44-A48 VanDerWaalsContact O-CB 3.23Å; Y44-A48 WeakPolarHBondContact O-CB 3.45Å; Y44-A48 PolarHBondContact O-N 3.4Å; T45-A48 PolarHBondContact O-N 2.8Å; A48-F51 PolarHBondContact O-N 2.83Å; A48-I52 WeakPolarHBondContact O-CB 3.43Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 WeakPolarHBondContact O-CG1 3.29Å; A48-I52 PolarHBondContact O-N 2.95Å |
| 49 | L | 97.6 | Very high | 96.5 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 60% | 0.602 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 176.3 | -71.7 | 174.5 | 0 | 0 | 0 | 112.1 | T45 F46 I52 G53 | T45-L49 WeakPolarHBondContact O-CB 3.35Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 3.3Å; F46-L49 PolarHBondContact O-N 3.07Å; L49-I52 PolarHBondContact O-N 3.36Å; L49-G53 PolarHBondContact O-N 3.23Å |
| 50 | F | 97.5 | Very high | 96.3 | Very high | 150 Ų | 150 | 95.6 Ų | 95.6 | 66% | 0.658 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.3 | -46.5 | 174.3 | 177.2 | -102.5 | 0 | 0 | 0 | 111.3 | F46 L47 G53 M54 | F46-F50 WeakPolarHBondContact O-CB 3.31Å; F46-F50 PolarHBondContact O-N 3.05Å; L47-F50 PolarHBondContact O-N 2.88Å; F50-G53 PolarHBondContact O-N 3.42Å; F50-M54 HydrophobicContact CD1-CG 4.35Å; F50-M54 HydrophobicContact CD2-CG 4.45Å; F50-M54 HydrophobicContact CE1-CG 3.92Å; F50-M54 HydrophobicContact CE2-CG 4.03Å; F50-M54 HydrophobicContact CE2-SD 4.31Å; F50-M54 HydrophobicContact CZ-CG 3.75Å; F50-M54 HydrophobicContact CZ-SD 4.14Å; F50-M54 WeakPolarHBondContact O-CG 3.38Å; F50-M54 PolarHBondContact O-N 3.21Å |
| 51 | F | 97.6 | Very high | 95.9 | Very high | 131 Ų | 131 | 93 Ų | 93 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -45 | 177.2 | -178.8 | -103.5 | 0 | 0 | 0 | 112.3 | L47 A48 G53 M54 L55 | L47-F51 WeakPolarHBondContact O-CB 3.22Å; L47-F51 PolarHBondContact O-N 3.08Å; A48-F51 PolarHBondContact O-N 2.83Å; F51-G53 VanDerWaalsContact C-N 3.33Å; F51-G53 PolarHBondContact O-N 3.11Å; F51-M54 PolarHBondContact O-N 3.38Å; F51-L55 HydrophobicContact CE1-CD2 4.45Å; F51-L55 VanDerWaalsContact O-CB 3.3Å; F51-L55 WeakPolarHBondContact O-CB 3.35Å; F51-L55 PolarHBondContact O-N 2.87Å |
| 52 | I | 97.5 | Very high | 95.4 | Very high | 94 Ų | 94 | 98 Ų | 98 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.3 | -69.3 | 164.9 | 0 | 0 | 0 | 111 | A48 L49 L55 S56 | A48-I52 WeakPolarHBondContact O-CB 3.43Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 WeakPolarHBondContact O-CG1 3.29Å; A48-I52 PolarHBondContact O-N 2.95Å; L49-I52 PolarHBondContact O-N 3.36Å; I52-L55 PolarHBondContact O-N 2.58Å; I52-S56 WeakPolarHBondContact O-CB 3.04Å; I52-S56 PolarHBondContact O-N 3.31Å; I52-S56 PolarHBondContact O-OG 3.38Å |
| 53 | G | 96.7 | Very high | 95.1 | Very high | 34 Ų | 34 | 97.2 Ų | 97.2 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L49 F50 F51 L55 S56 V57 | L49-G53 PolarHBondContact O-N 3.23Å; F50-G53 PolarHBondContact O-N 3.42Å; F51-G53 VanDerWaalsContact C-N 3.33Å; F51-G53 PolarHBondContact O-N 3.11Å; G53-L55 VanDerWaalsContact C-N 3.35Å; G53-L55 PolarHBondContact O-N 3.09Å; G53-S56 PolarHBondContact O-N 3.31Å; G53-V57 WeakPolarHBondContact O-CG2 3.36Å; G53-V57 PolarHBondContact O-N 3.18Å |
| 54 | M | 96.4 | Very high | 94.6 | Very high | 109 Ų | 109 | 98 Ų | 98 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.9 | -71.8 | -61.6 | -62.4 | 0 | 0 | 112 | F50 F51 S56 V57 F58 | F50-M54 HydrophobicContact CD1-CG 4.35Å; F50-M54 HydrophobicContact CD2-CG 4.45Å; F50-M54 HydrophobicContact CE1-CG 3.92Å; F50-M54 HydrophobicContact CE2-CG 4.03Å; F50-M54 HydrophobicContact CE2-SD 4.31Å; F50-M54 HydrophobicContact CZ-CG 3.75Å; F50-M54 HydrophobicContact CZ-SD 4.14Å; F50-M54 WeakPolarHBondContact O-CG 3.38Å; F50-M54 PolarHBondContact O-N 3.21Å; F51-M54 PolarHBondContact O-N 3.38Å; M54-S56 VanDerWaalsContact C-N 3.33Å; M54-S56 PolarHBondContact O-N 3.09Å; M54-V57 PolarHBondContact O-N 3.14Å; M54-F58 PolarHBondContact O-N 3.17Å |
| 55 | L | 95.6 | Very high | 94 | Very high | 76 Ų | 76 | 98.6 Ų | 98.6 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.8 | -172.6 | 67 | 0 | 0 | 0 | 111.7 | F51 I52 G53 F58 L59 | F51-L55 HydrophobicContact CE1-CD2 4.45Å; F51-L55 VanDerWaalsContact O-CB 3.3Å; F51-L55 WeakPolarHBondContact O-CB 3.35Å; F51-L55 PolarHBondContact O-N 2.87Å; I52-L55 PolarHBondContact O-N 2.58Å; G53-L55 VanDerWaalsContact C-N 3.35Å; G53-L55 PolarHBondContact O-N 3.09Å; L55-F58 PolarHBondContact O-N 3.29Å; L55-L59 HydrophobicContact CD1-CD1 4.19Å; L55-L59 HydrophobicContact CD1-CG 4.24Å; L55-L59 HydrophobicContact CD2-CD1 4.34Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.46Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.41Å |
| 56 | S | 94.6 | Very high | 93.3 | Very high | 47 Ų | 47 | 99.3 Ų | 99.3 | 33% | 0.329 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.4 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | I52 G53 M54 F58 L59 Y60 | I52-S56 WeakPolarHBondContact O-CB 3.04Å; I52-S56 PolarHBondContact O-N 3.31Å; I52-S56 PolarHBondContact O-OG 3.38Å; G53-S56 PolarHBondContact O-N 3.31Å; M54-S56 VanDerWaalsContact C-N 3.33Å; M54-S56 PolarHBondContact O-N 3.09Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 2.74Å; S56-L59 PolarHBondContact O-N 2.71Å; S56-Y60 WeakPolarHBondContact O-CB 3.31Å; S56-Y60 VanDerWaalsContact O-CD2 3.23Å; S56-Y60 WeakPolarHBondContact O-CD2 3.43Å; S56-Y60 PolarHBondContact O-N 2.87Å |
| 57 | V | 94.7 | Very high | 92.8 | Very high | 89 Ų | 89 | 95.2 Ų | 95.2 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 174.5 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | G53 M54 G61 Y62 | G53-V57 WeakPolarHBondContact O-CG2 3.36Å; G53-V57 PolarHBondContact O-N 3.18Å; M54-V57 PolarHBondContact O-N 3.14Å; V57-G61 WeakPolarHBondContact O-CA 3.43Å; V57-G61 PolarHBondContact O-N 2.9Å; V57-Y62 HydrophobicContact CG1-CE2 4.38Å |
| 58 | F | 93.7 | Very high | 92.4 | Very high | 112 Ų | 112 | 93 Ų | 93 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -62.6 | -53.3 | 176.4 | 178.5 | -104.1 | 0 | 0 | 0 | 112.4 | M54 L55 S56 Y62 V63 | M54-F58 PolarHBondContact O-N 3.17Å; L55-F58 PolarHBondContact O-N 3.29Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 2.74Å; F58-Y62 WeakPolarHBondContact O-CB 3.46Å; F58-Y62 PolarHBondContact O-N 3.3Å; F58-Y62 VanDerWaalsContact O-N 3.09Å; F58-V63 HydrophobicContact CD1-CG2 4.28Å; F58-V63 HydrophobicContact CE1-CG2 3.85Å; F58-V63 HydrophobicContact CE2-CG2 4.46Å; F58-V63 HydrophobicContact CZ-CG2 3.95Å; F58-V63 PolarHBondContact O-N 2.85Å |
| 59 | L | 93.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 95 Ų | 95 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | I | π-helix | trans | -69.9 | -35 | -174.5 | -70.2 | 176.9 | 0 | 0 | 0 | 113.8 | L55 S56 V63 | L55-L59 HydrophobicContact CD1-CD1 4.19Å; L55-L59 HydrophobicContact CD1-CG 4.24Å; L55-L59 HydrophobicContact CD2-CD1 4.34Å; L55-L59 HydrophobicContact CG-CD1 3.85Å; L55-L59 HydrophobicContact CG-CG 4.26Å; L55-L59 WeakPolarHBondContact O-CB 3.46Å; L55-L59 VanDerWaalsContact O-CG 3.31Å; L55-L59 WeakPolarHBondContact O-CG 3.42Å; L55-L59 PolarHBondContact O-N 3.41Å; S56-L59 PolarHBondContact O-N 2.71Å; L59-V63 VanDerWaalsContact O-O 3.14Å |
| 60 | Y | 91.1 | Very high | 91.3 | Very high | 169 Ų | 169 | 94.6 Ų | 94.6 | 66% | 0.663 | 50% | 0.499 | S | S | * | . | I | π-helix | trans | -99.2 | -25.1 | -177.6 | -62.7 | -65.4 | 0 | 0 | 0 | 113.5 | S56 | S56-Y60 WeakPolarHBondContact O-CB 3.31Å; S56-Y60 VanDerWaalsContact O-CD2 3.23Å; S56-Y60 WeakPolarHBondContact O-CD2 3.43Å; S56-Y60 PolarHBondContact O-N 2.87Å |
| 61 | G | 88.1 | Confident | 90.5 | Very high | 61 Ų | 61 | 90.3 Ų | 90.3 | 63% | 0.629 | 49% | 0.486 | S | S | * | . | I | π-helix | trans | -92.6 | -37.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | V57 | V57-G61 WeakPolarHBondContact O-CA 3.43Å; V57-G61 PolarHBondContact O-N 2.9Å |
| 62 | Y | 88.1 | Confident | 89.7 | Confident | 175 Ų | 175 | 84.2 Ų | 84.2 | 69% | 0.686 | 46% | 0.459 | S | S | * | . | I | π-helix | trans | -108 | -31.3 | -174.5 | -70.6 | -87.7 | 0 | 0 | 0 | 113.8 | V57 F58 T69 | V57-Y62 HydrophobicContact CG1-CE2 4.38Å; F58-Y62 WeakPolarHBondContact O-CB 3.46Å; F58-Y62 PolarHBondContact O-N 3.3Å; F58-Y62 VanDerWaalsContact O-N 3.09Å; Y62-T69 WeakPolarHBondContact O-CG2 3.4Å |
| 63 | V | 89.7 | Confident | 88.9 | Confident | 49 Ų | 49 | 85.1 Ų | 85.1 | 30% | 0.297 | 46% | 0.461 | S | S | . | . | trans | -95.4 | 113.1 | -175.8 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | F58 L59 | F58-V63 HydrophobicContact CD1-CG2 4.28Å; F58-V63 HydrophobicContact CE1-CG2 3.85Å; F58-V63 HydrophobicContact CE2-CG2 4.46Å; F58-V63 HydrophobicContact CZ-CG2 3.95Å; F58-V63 PolarHBondContact O-N 2.85Å; L59-V63 VanDerWaalsContact O-O 3.14Å | ||
| 64 | S | 86.9 | Confident | 88.3 | Confident | 55 Ų | 55 | 90.5 Ų | 90.5 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | trans | -67.1 | 142.7 | 171.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | T66 | S64-T66 VanDerWaalsContact C-N 3.32Å; S64-T66 PolarHBondContact OG-N 2.04Å; S64-T66 PolarHBondContact OG-OG1 2.82Å; S64-T66 VanDerWaalsContact OG-OG1 3.05Å | ||
| 65 | K | 85.1 | Confident | 87.7 | Confident | 159 Ų | 159 | 86.2 Ų | 86.2 | 69% | 0.691 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -76.8 | -18.2 | 174.5 | -68.7 | -176.3 | -178.2 | 177.5 | 0 | 113.1 | R234 | K65-R234 VanDerWaalsContact O-CZ 3.28Å; K65-R234 PolarHBondContact O-NH1 2.86Å |
| 66 | T | 83.8 | Confident | 87.1 | Confident | 88 Ų | 88 | 90.9 Ų | 90.9 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -99.9 | -37.8 | -170.8 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | S64 | S64-T66 VanDerWaalsContact C-N 3.32Å; S64-T66 PolarHBondContact OG-N 2.04Å; S64-T66 PolarHBondContact OG-OG1 2.82Å; S64-T66 VanDerWaalsContact OG-OG1 3.05Å |
| 67 | V | 87.1 | Confident | 86.4 | Confident | 54 Ų | 54 | 93.6 Ų | 93.6 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -128.8 | 139.6 | -174.8 | -53.1 | 0 | 0 | 0 | 0 | 110 | Y175 | V67-Y175 HydrophobicContact CB-CE1 4.13Å; V67-Y175 HydrophobicContact CG1-CE1 4Å; V67-Y175 HydrophobicContact CG1-CE2 4.32Å; V67-Y175 WeakPolarHBondContact CG1-OH 3.42Å |
| 68 | P | 88 | Confident | 85.9 | Confident | 63 Ų | 63 | 97 Ų | 97 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | trans | -64.3 | 139.3 | 171.4 | 26.2 | -29.7 | 0 | 0 | 0 | 109.5 | T71 Y175 | P68-T71 HydrophobicContact CG-CG2 3.71Å; P68-Y175 HydrophobicContact CG-CD1 4.09Å; P68-Y175 HydrophobicContact CG-CG 3.92Å | ||
| 69 | T | 85.5 | Confident | 85.3 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -67 | -36.5 | -177.5 | 47.8 | 0 | 0 | 0 | 0 | 112.7 | Y62 | Y62-T69 WeakPolarHBondContact O-CG2 3.4Š|
| 70 | L | 86.3 | Confident | 85 | Confident | 108 Ų | 108 | 93.9 Ų | 93.9 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -105 | 98.6 | 176.4 | -63.4 | 175.4 | 0 | 0 | 0 | 109.5 | Q74 | L70-Q74 HydrophobicContact CD2-CB 4.4Š|
| 71 | T | 82 | Confident | 84.9 | Confident | 60 Ų | 60 | 86.1 Ų | 86.1 | 37% | 0.368 | 45% | 0.449 | S | S | . | . | trans | -105 | 146 | 170.4 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | P68 Y175 | P68-T71 HydrophobicContact CG-CG2 3.71Å; T71-Y175 HydrophobicContact CG2-CD1 3.98Å | ||
| 72 | G | 79.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 84.2 Ų | 84.2 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | 88.5 | -140 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q74 S75 R78 F79 | G72-Q74 PolarHBondContact O-N 2.84Å; G72-S75 VanDerWaalsContact O-CB 3.3Å; G72-S75 WeakPolarHBondContact O-CB 3.31Å; G72-S75 PolarHBondContact O-N 2.84Å; G72-S75 PolarHBondContact O-OG 2.99Å; G72-R78 WeakPolarHBondContact O-CA 3.33Å; G72-F79 VanDerWaalsContact C-CD2 3.5Å; G72-F79 VanDerWaalsContact CA-CG 3.41Å; G72-F79 PolarHBondContact O-N 2.8Å |
| 73 | E | 81.4 | Confident | 85.1 | Confident | 113 Ų | 113 | 76.2 Ų | 76.2 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -60.6 | -26 | 175.2 | -71 | -59.1 | 140.2 | 0 | 0 | 112.1 | S75 F79 | E73-S75 PolarHBondContact O-N 3.4Å; E73-F79 HydrophobicContact CG-CD2 4.4Å |
| 74 | Q | 82.7 | Confident | 85.2 | Confident | 148 Ų | 148 | 76.7 Ų | 76.7 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -76.3 | -13.7 | 174.5 | -61 | -176.3 | -9.1 | 0 | 0 | 112.9 | L70 G72 | L70-Q74 HydrophobicContact CD2-CB 4.4Å; G72-Q74 PolarHBondContact O-N 2.84Å |
| 75 | S | 83.8 | Confident | 85.5 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -84.4 | 154.1 | 174.5 | 79.8 | 0 | 0 | 0 | 0 | 110.5 | G72 E73 L77 R78 | G72-S75 VanDerWaalsContact O-CB 3.3Å; G72-S75 WeakPolarHBondContact O-CB 3.31Å; G72-S75 PolarHBondContact O-N 2.84Å; G72-S75 PolarHBondContact O-OG 2.99Å; E73-S75 PolarHBondContact O-N 3.4Å; S75-L77 PolarHBondContact O-N 3.02Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 3.09Å; S75-R78 PolarHBondContact O-N 2.57Å; S75-R78 PolarHBondContact OG-N 3.48Å |
| 76 | I | 82.9 | Confident | 85.9 | Confident | 174 Ų | 174 | 67.6 Ų | 67.6 | 89% | 0.892 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.2 | 174.3 | -63.9 | 169.1 | 0 | 0 | 0 | 111.4 | R78 | I76-R78 VanDerWaalsContact C-N 3.34Š|
| 77 | L | 80.8 | Confident | 86.3 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -16.2 | 178.9 | -60.8 | 173.4 | 0 | 0 | 0 | 113.5 | S75 F79 Q80 | S75-L77 PolarHBondContact O-N 3.02Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 3.09Å; L77-F79 VanDerWaalsContact C-N 3.28Å; L77-F79 PolarHBondContact O-N 2.77Å; L77-Q80 WeakPolarHBondContact O-CB 3.44Å; L77-Q80 PolarHBondContact O-N 2.79Å |
| 78 | R | 83.8 | Confident | 86.4 | Confident | 161 Ų | 161 | 64.8 Ų | 64.8 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 43.9 | -179.7 | -58 | -177.1 | -177.7 | 179.4 | -0.1 | 114.5 | G72 S75 I76 Q80 | G72-R78 WeakPolarHBondContact O-CA 3.33Å; S75-R78 PolarHBondContact O-N 2.57Å; S75-R78 PolarHBondContact OG-N 3.48Å; I76-R78 VanDerWaalsContact C-N 3.34Å; R78-Q80 WeakPolarHBondContact O-CG 3.4Å; R78-Q80 PolarHBondContact O-N 2.94Å |
| 79 | F | 81.3 | Confident | 86.4 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 20.5 | -174.9 | -80.1 | -51.8 | 0 | 0 | 0 | 116.1 | G72 E73 L77 P81 W177 | G72-F79 VanDerWaalsContact C-CD2 3.5Å; G72-F79 VanDerWaalsContact CA-CG 3.41Å; G72-F79 PolarHBondContact O-N 2.8Å; E73-F79 HydrophobicContact CG-CD2 4.4Å; L77-F79 VanDerWaalsContact C-N 3.28Å; L77-F79 PolarHBondContact O-N 2.77Å; F79-P81 VanDerWaalsContact O-CD 3.29Å; F79-P81 WeakPolarHBondContact O-CD 3.35Å; F79-W177 VanDerWaalsContact O-CD1 3.23Å; F79-W177 PolarHBondContact O-NE1 3.03Å |
| 80 | Q | 86 | Confident | 86.4 | Confident | 49 Ų | 49 | 63 Ų | 63 | 23% | 0.229 | 31% | 0.314 | C | S | . | . | trans | -102.2 | 103.5 | 178.4 | -65.1 | 177.1 | -6.8 | 0 | 0 | 110 | L77 R78 N267 I269 | L77-Q80 WeakPolarHBondContact O-CB 3.44Å; L77-Q80 PolarHBondContact O-N 2.79Å; R78-Q80 WeakPolarHBondContact O-CG 3.4Å; R78-Q80 PolarHBondContact O-N 2.94Å; Q80-N267 WeakPolarHBondContact CG-O 3.48Å; Q80-I269 VanDerWaalsContact OE1-CD1 3.31Å | ||
| 81 | P | 89.6 | Confident | 86.2 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 145 | 175.3 | 33.9 | -36.6 | 0 | 0 | 0 | 110.4 | F79 I171 V174 W177 L262 | F79-P81 VanDerWaalsContact O-CD 3.29Å; F79-P81 WeakPolarHBondContact O-CD 3.35Å; P81-I171 HydrophobicContact CB-CG2 3.56Å; P81-I171 HydrophobicContact CG-CG2 3.91Å; P81-V174 HydrophobicContact CB-CG2 3.95Å; P81-W177 HydrophobicContact CG-CD2 4.14Å; P81-W177 HydrophobicContact CG-CH2 3.94Å; P81-W177 HydrophobicContact CG-CZ2 3.51Å; P81-W177 HydrophobicContact CG-CZ3 4.43Å; P81-L262 HydrophobicContact CG-CD1 4.08Å; P81-L262 WeakPolarHBondContact O-CD1 3.34Å |
| 82 | G | 89.4 | Confident | 86.2 | Confident | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -84 | 168.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N172 | G82-N172 PolarHBondContact O-N 3.25Š|
| 83 | I | 92.4 | Very high | 86.5 | Confident | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 144.3 | 163.3 | -62.1 | 162.1 | 0 | 0 | 0 | 107.6 | L169 I192 R261 L262 T272 | I83-L169 HydrophobicContact CG2-CB 4.03Å; I83-L169 HydrophobicContact CG2-CD1 4.49Å; I83-L169 HydrophobicContact CG2-CD2 4.12Å; I83-L169 HydrophobicContact CG2-CG 4.45Å; I83-I192 HydrophobicContact CD1-CD1 4.4Å; I83-I192 HydrophobicContact CD1-CG1 4.15Å; I83-I192 HydrophobicContact CD1-CG2 4.25Å; I83-I192 HydrophobicContact CG2-CD1 4.45Å; I83-R261 VanDerWaalsContact CD1-C 3.44Å; I83-L262 HydrophobicContact CD1-CB 4.3Å; I83-L262 HydrophobicContact CD1-CD2 3.63Å; I83-L262 HydrophobicContact CD1-CG 3.48Å; I83-L262 VanDerWaalsContact CD1-CG 3.48Å; I83-L262 HydrophobicContact CG1-CD1 4.06Å; I83-L262 HydrophobicContact CG1-CD2 3.59Å; I83-L262 HydrophobicContact CG1-CG 3.49Å; I83-L262 VanDerWaalsContact CG1-CG 3.49Å; I83-T272 HydrophobicContact CB-CG2 3.99Å; I83-T272 HydrophobicContact CG2-CG2 3.73Å; I83-T272 WeakPolarHBondContact O-CB 3.48Å |
| 84 | E | 91 | Very high | 86.7 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.1 | 166.5 | 67.5 | 177.1 | 172.5 | 0 | 0 | 112.6 | A86 R88 K170 N172 | E84-A86 PolarHBondContact O-N 2.79Å; E84-R88 IonicContact OE2-NH2 2.74Å; E84-K170 HydrophobicContact CG-CD 4.32Å; E84-K170 HydrophobicContact CG-CG 3.77Å; E84-K170 PolarHBondContact N-O 3.25Å; E84-K170 PolarHBondContact O-N 3.41Å; E84-K170 WeakPolarHBondContact OE1-CE 2.98Å; E84-K170 IonicContact OE1-NZ 3.83Å; E84-K170 PolarHBondContact OE1-NZ 3.19Å; E84-N172 VanDerWaalsContact CD-OD1 3.25Å; E84-N172 VanDerWaalsContact CG-OD1 3.27Å; E84-N172 WeakPolarHBondContact CG-OD1 3.21Å |
| 85 | L | 93.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 117.6 | 164.9 | -176 | 70.9 | 0 | 0 | 0 | 109.1 | R88 I96 L167 L169 | L85-R88 HydrophobicContact CB-CG 4.3Å; L85-R88 HydrophobicContact CD2-CG 4.03Å; L85-R88 HydrophobicContact CG-CG 4.23Å; L85-R88 WeakPolarHBondContact O-CG 3.46Å; L85-R88 PolarHBondContact O-NE 2.76Å; L85-R88 VanDerWaalsContact O-NE 3.14Å; L85-I96 HydrophobicContact CD1-CD1 4.32Å; L85-I96 HydrophobicContact CD2-CD1 3.61Å; L85-I96 HydrophobicContact CD2-CG1 4.16Å; L85-L167 HydrophobicContact CD1-CB 4.33Å; L85-L169 HydrophobicContact CB-CD2 4.45Å; L85-L169 HydrophobicContact CD1-CD2 4.1Å |
| 86 | A | 92.6 | Very high | 87.7 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -76.6 | -35.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | E84 L116 Y168 K170 L242 | E84-A86 PolarHBondContact O-N 2.79Å; A86-L116 HydrophobicContact CB-CD1 4Å; A86-L116 HydrophobicContact CB-CD2 3.51Å; A86-L116 HydrophobicContact CB-CG 4.43Å; A86-Y168 WeakPolarHBondContact CB-O 3.18Å; A86-Y168 PolarHBondContact N-O 3.32Å; A86-K170 HydrophobicContact CB-CD 3.84Å; A86-K170 HydrophobicContact CB-CG 4.04Å; A86-L242 HydrophobicContact CB-CD2 4.18Å |
| 87 | A | 92 | Very high | 88.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | trans | -108.9 | 102.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y109 K112 V113 L116 Y168 | A87-Y109 HydrophobicContact CB-CE2 4.26Å; A87-K112 HydrophobicContact CB-CB 4.5Å; A87-V113 HydrophobicContact CB-CB 4.44Å; A87-V113 HydrophobicContact CB-CG2 3.57Å; A87-L116 HydrophobicContact CB-CD2 4.28Å; A87-Y168 HydrophobicContact CB-CD2 4.34Å | ||
| 88 | R | 90.5 | Very high | 88.7 | Confident | 81 Ų | 81 | 54 Ų | 54 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | trans | -109.8 | 123 | 177 | -58.3 | -174.2 | -171.1 | -173.2 | 2 | 109.6 | E84 L85 N90 K112 | E84-R88 IonicContact OE2-NH2 2.74Å; L85-R88 HydrophobicContact CB-CG 4.3Å; L85-R88 HydrophobicContact CD2-CG 4.03Å; L85-R88 HydrophobicContact CG-CG 4.23Å; L85-R88 WeakPolarHBondContact O-CG 3.46Å; L85-R88 PolarHBondContact O-NE 2.76Å; L85-R88 VanDerWaalsContact O-NE 3.14Å; R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 WeakPolarHBondContact CB-O 3.24Å; R88-N90 PolarHBondContact O-N 3.4Å; R88-K112 WeakPolarHBondContact O-CD 3.43Å; R88-K112 WeakPolarHBondContact O-CG 3.31Å | ||
| 89 | P | 86.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 14% | 0.143 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -61.4 | -38.2 | 177.6 | 23.7 | -30.8 | 0 | 0 | 0 | 111.4 | F95 P108 | P89-F95 VanDerWaalsContact CG-O 3.31Å; P89-F95 WeakPolarHBondContact CG-O 3.48Å; P89-P108 HydrophobicContact CB-CB 4.29Å |
| 90 | N | 86 | Confident | 89.7 | Confident | 87 Ų | 87 | 43.6 Ų | 43.6 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -122.4 | 150.3 | 178.4 | -73.2 | -38.3 | 0 | 0 | 0 | 111.4 | R88 N93 | R88-N90 VanDerWaalsContact C-N 3.26Å; R88-N90 WeakPolarHBondContact CB-O 3.24Å; R88-N90 PolarHBondContact O-N 3.4Å; N90-N93 WeakPolarHBondContact CB-OD1 3.42Å; N90-N93 PolarHBondContact ND2-OD1 2.84Å |
| 91 | S | 81.8 | Confident | 89.9 | Confident | 111 Ų | 111 | 44.8 Ų | 44.8 | 78% | 0.776 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -78.8 | -19.7 | 178.8 | -55 | 0 | 0 | 0 | 0 | 113.8 | ||
| 92 | F | 81.6 | Confident | 89.8 | Confident | 206 Ų | 206 | 50.4 Ų | 50.4 | 90% | 0.904 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -99.2 | -27.2 | -170.6 | -58.6 | -70.8 | 0 | 0 | 0 | 114.2 | ||
| 93 | N | 85.6 | Confident | 89.7 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | trans | -129.1 | 160.3 | 179.8 | 66.5 | 3.1 | 0 | 0 | 0 | 111.4 | N90 F95 | N90-N93 WeakPolarHBondContact CB-OD1 3.42Å; N90-N93 PolarHBondContact ND2-OD1 2.84Å; N93-F95 VanDerWaalsContact C-N 3.34Å | ||
| 94 | T | 87.4 | Confident | 89.6 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | trans | -97.6 | 14 | 177.9 | 50 | 0 | 0 | 0 | 0 | 112.1 | F274 E275 | T94-F274 WeakPolarHBondContact O-CB 3.31Å; T94-E275 PolarHBondContact O-N 2.97Å | ||
| 95 | F | 92.7 | Very high | 89.6 | Confident | 54 Ų | 54 | 56 Ų | 56 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 127.3 | -177.7 | -179.9 | -119.7 | 0 | 0 | 0 | 110.9 | P89 N93 H97 V255 E275 C277 | P89-F95 VanDerWaalsContact CG-O 3.31Å; P89-F95 WeakPolarHBondContact CG-O 3.48Å; N93-F95 VanDerWaalsContact C-N 3.34Å; F95-H97 HydrophobicContact CD1-CB 4.33Å; F95-H97 HydrophobicContact CE1-CB 3.6Å; F95-H97 HydrophobicContact CZ-CB 3.83Å; F95-V255 HydrophobicContact CE2-CG1 4.42Å; F95-V255 HydrophobicContact CE2-CG2 4.36Å; F95-E275 CarbonylContact C-O 3.5Å; F95-E275 WeakPolarHBondContact CA-O 3.37Å; F95-E275 HydrophobicContact CB-CB 4.5Å; F95-E275 HydrophobicContact CD2-CB 3.8Å; F95-C277 HydrophobicContact CE2-CB 3.81Å; F95-C277 HydrophobicContact CZ-CB 3.87Å |
| 96 | I | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.8 | 175.5 | -55.5 | 170.9 | 0 | 0 | 0 | 108.1 | L85 V98 Y109 L165 L167 E275 V276 C277 | L85-I96 HydrophobicContact CD1-CD1 4.32Å; L85-I96 HydrophobicContact CD2-CD1 3.61Å; L85-I96 HydrophobicContact CD2-CG1 4.16Å; I96-V98 HydrophobicContact CG2-CG1 4.28Å; I96-Y109 HydrophobicContact CD1-CE2 4.19Å; I96-Y109 HydrophobicContact CG2-CD2 3.93Å; I96-Y109 HydrophobicContact CG2-CE2 4.06Å; I96-Y109 HydrophobicContact CG2-CG 4.21Å; I96-L165 HydrophobicContact CG2-CD1 4.31Å; I96-L165 HydrophobicContact CG2-CD2 4.33Å; I96-L167 HydrophobicContact CD1-CD2 3.22Å; I96-E275 PolarHBondContact N-O 2.83Å; I96-V276 HydrophobicContact CB-CG1 4.27Å; I96-V276 HydrophobicContact CD1-CG1 4.3Å; I96-V276 CarbonylContact O-C 3.57Å; I96-V276 WeakPolarHBondContact O-CA 3.25Å; I96-C277 PolarHBondContact O-N 3.44Å |
| 97 | H | 92.6 | Very high | 89.6 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.5 | 178.3 | -174.4 | -146.7 | 0 | 0 | 0 | 109.2 | F95 I105 D279 | F95-H97 HydrophobicContact CD1-CB 4.33Å; F95-H97 HydrophobicContact CE1-CB 3.6Å; F95-H97 HydrophobicContact CZ-CB 3.83Å; H97-I105 HydrophobicContact CB-CG2 4.45Å; H97-I105 VanDerWaalsContact ND1-CG2 3.34Å; H97-I105 WeakPolarHBondContact ND1-CG2 3.31Å; H97-D279 IonicContact CD2-OD1 3.91Å; H97-D279 IonicContact CD2-OD2 3.94Å; H97-D279 IonicContact CE1-OD2 3.33Å; H97-D279 PolarHBondContact CE1-OD2 3.49Å; H97-D279 IonicContact NE2-OD1 2.7Å; H97-D279 PolarHBondContact NE2-OD1 3.4Å; H97-D279 IonicContact NE2-OD2 3.05Å; H97-D279 PolarHBondContact NE2-OD2 3.36Å |
| 98 | V | 93.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 154.9 | 176.2 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | I96 N106 Y109 I160 L165 C277 V278 D279 | I96-V98 HydrophobicContact CG2-CG1 4.28Å; V98-N106 VanDerWaalsContact CA-OD1 3.29Å; V98-N106 WeakPolarHBondContact CA-OD1 3.37Å; V98-Y109 HydrophobicContact CG1-CD1 4.02Å; V98-Y109 HydrophobicContact CG1-CG 4.37Å; V98-I160 HydrophobicContact CB-CG2 4.28Å; V98-I160 HydrophobicContact CG1-CD1 4.1Å; V98-L165 HydrophobicContact CG1-CD1 4.2Å; V98-L165 HydrophobicContact CG2-CD1 3.96Å; V98-L165 HydrophobicContact CG2-CD2 4.27Å; V98-L165 HydrophobicContact CG2-CG 4.48Å; V98-C277 PolarHBondContact N-O 2.93Å; V98-V278 HydrophobicContact CG2-CB 4.32Å; V98-V278 HydrophobicContact CG2-CG1 4.13Å; V98-V278 HydrophobicContact CG2-CG2 3.8Å; V98-V278 CarbonylContact O-C 3.56Å; V98-V278 WeakPolarHBondContact O-CA 3.38Å; V98-D279 PolarHBondContact O-N 3.32Å |
| 99 | A | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F101 N106 I160 D279 | A99-F101 HydrophobicContact CB-CD1 3.98Å; A99-F101 HydrophobicContact CB-CD2 4.36Å; A99-F101 HydrophobicContact CB-CE1 3.69Å; A99-F101 HydrophobicContact CB-CE2 4.1Å; A99-F101 HydrophobicContact CB-CG 4.31Å; A99-F101 HydrophobicContact CB-CZ 3.75Å; A99-F101 PolarHBondContact O-N 3.4Å; A99-N106 PolarHBondContact N-OD1 2.88Å; A99-N106 PolarHBondContact O-ND2 3.43Å; A99-N106 PolarHBondContact O-OD1 2.92Å; A99-I160 VanDerWaalsContact O-CG2 3.22Å; A99-I160 WeakPolarHBondContact O-CG2 3.01Å; A99-D279 CarbonylContact C-O 3.11Å; A99-D279 VanDerWaalsContact CA-O 3.32Å; A99-D279 WeakPolarHBondContact CA-O 3.27Å; A99-D279 HydrophobicContact CB-CB 4.3Å |
| 100 | T | 91.3 | Very high | 90.1 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -67.1 | -13.6 | 177 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | V278 D279 D280 | T100-V278 HydrophobicContact CG2-CG1 3.78Å; T100-D279 WeakPolarHBondContact CG2-O 3.15Å; T100-D279 PolarHBondContact N-O 2.9Å; T100-D279 PolarHBondContact OG1-O 3.15Å; T100-D280 WeakPolarHBondContact OG1-CA 3.42Å; T100-D280 PolarHBondContact OG1-OD1 3.41Å |
| 101 | F | 90.2 | Very high | 90.5 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -105.8 | 162.5 | 178.3 | 55.9 | -89.1 | 0 | 0 | 0 | 111.5 | A99 S103 N106 K281 | A99-F101 HydrophobicContact CB-CD1 3.98Å; A99-F101 HydrophobicContact CB-CD2 4.36Å; A99-F101 HydrophobicContact CB-CE1 3.69Å; A99-F101 HydrophobicContact CB-CE2 4.1Å; A99-F101 HydrophobicContact CB-CG 4.31Å; A99-F101 HydrophobicContact CB-CZ 3.75Å; A99-F101 PolarHBondContact O-N 3.4Å; F101-S103 PolarHBondContact O-N 2.86Å; F101-N106 PolarHBondContact O-ND2 3.16Å; F101-K281 HydrophobicContact CD1-CB 4Å; F101-K281 HydrophobicContact CE1-CB 4.45Å |
| 102 | Q | 88.3 | Confident | 91.1 | Very high | 123 Ų | 123 | 55.9 Ų | 55.9 | 58% | 0.575 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -61.4 | 107.6 | 175.7 | -163.1 | 68.8 | 12 | 0 | 0 | 109.7 | E157 | Q102-E157 PolarHBondContact NE2-OE1 3.27Š|
| 103 | S | 87.8 | Confident | 91.7 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | trans | -141.2 | 148.8 | -176.7 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | F101 I105 N106 | F101-S103 PolarHBondContact O-N 2.86Å; S103-I105 PolarHBondContact O-N 2.75Å; S103-I105 WeakPolarHBondContact OG-CB 3.48Å; S103-I105 WeakPolarHBondContact OG-CG1 3.22Å; S103-I105 PolarHBondContact OG-N 3.49Å; S103-N106 PolarHBondContact O-N 2.99Å | ||
| 104 | T | 90.6 | Very high | 92.1 | Very high | 122 Ų | 122 | 46.9 Ų | 46.9 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -64.7 | -17.6 | 171.2 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | N106 Q107 | T104-N106 PolarHBondContact O-N 3.17Å; T104-Q107 WeakPolarHBondContact O-CB 3.5Å; T104-Q107 PolarHBondContact O-N 3.35Å |
| 105 | I | 91.2 | Very high | 92.4 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 31% | 0.308 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -60.5 | -32.5 | 176.2 | -65 | 169.9 | 0 | 0 | 0 | 111.6 | H97 S103 Q107 P108 | H97-I105 HydrophobicContact CB-CG2 4.45Å; H97-I105 VanDerWaalsContact ND1-CG2 3.34Å; H97-I105 WeakPolarHBondContact ND1-CG2 3.31Å; S103-I105 PolarHBondContact O-N 2.75Å; S103-I105 WeakPolarHBondContact OG-CB 3.48Å; S103-I105 WeakPolarHBondContact OG-CG1 3.22Å; S103-I105 PolarHBondContact OG-N 3.49Å; I105-Q107 VanDerWaalsContact C-N 3.34Å; I105-Q107 PolarHBondContact O-N 2.87Å; I105-P108 VanDerWaalsContact O-CD 3.26Å; I105-P108 WeakPolarHBondContact O-CD 3.36Å |
| 106 | N | 91.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -75.3 | -24.4 | -176.6 | -65.2 | -17.1 | 0 | 0 | 0 | 113.2 | V98 A99 F101 S103 T104 Y109 I110 | V98-N106 VanDerWaalsContact CA-OD1 3.29Å; V98-N106 WeakPolarHBondContact CA-OD1 3.37Å; A99-N106 PolarHBondContact N-OD1 2.88Å; A99-N106 PolarHBondContact O-ND2 3.43Å; A99-N106 PolarHBondContact O-OD1 2.92Å; F101-N106 PolarHBondContact O-ND2 3.16Å; S103-N106 PolarHBondContact O-N 2.99Å; T104-N106 PolarHBondContact O-N 3.17Å; N106-Y109 PolarHBondContact O-N 3.39Å; N106-I110 HydrophobicContact CB-CD1 3.8Å; N106-I110 WeakPolarHBondContact O-CG1 3.03Å; N106-I110 PolarHBondContact O-N 2.83Å |
| 107 | Q | 92.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 47.7 Ų | 47.7 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.1 | -44.5 | -169.8 | -65.5 | -65.3 | -40.7 | 0 | 0 | 114 | T104 I105 Y109 I110 N111 | T104-Q107 WeakPolarHBondContact O-CB 3.5Å; T104-Q107 PolarHBondContact O-N 3.35Å; I105-Q107 VanDerWaalsContact C-N 3.34Å; I105-Q107 PolarHBondContact O-N 2.87Å; Q107-Y109 VanDerWaalsContact C-N 3.27Å; Q107-Y109 PolarHBondContact O-N 2.84Å; Q107-I110 PolarHBondContact O-N 2.8Å; Q107-N111 VanDerWaalsContact O-CB 3.27Å; Q107-N111 WeakPolarHBondContact O-CB 3.04Å; Q107-N111 PolarHBondContact O-N 3.14Å; Q107-N111 PolarHBondContact O-ND2 3.48Å |
| 108 | P | 92.9 | Very high | 92.4 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -37.4 | 178 | -23.6 | 35.2 | 0 | 0 | 0 | 113.2 | P89 I105 K112 | P89-P108 HydrophobicContact CB-CB 4.29Å; I105-P108 VanDerWaalsContact O-CD 3.26Å; I105-P108 WeakPolarHBondContact O-CD 3.36Å; P108-K112 VanDerWaalsContact O-CG 3.25Å; P108-K112 WeakPolarHBondContact O-CG 3.5Å; P108-K112 PolarHBondContact O-N 2.89Å |
| 109 | Y | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.3 | -49.9 | 178.3 | -175.5 | -115.3 | 0 | 0 | 0 | 111.5 | A87 I96 V98 N106 Q107 N111 K112 V113 T156 I160 L165 C166 | A87-Y109 HydrophobicContact CB-CE2 4.26Å; I96-Y109 HydrophobicContact CD1-CE2 4.19Å; I96-Y109 HydrophobicContact CG2-CD2 3.93Å; I96-Y109 HydrophobicContact CG2-CE2 4.06Å; I96-Y109 HydrophobicContact CG2-CG 4.21Å; V98-Y109 HydrophobicContact CG1-CD1 4.02Å; V98-Y109 HydrophobicContact CG1-CG 4.37Å; N106-Y109 PolarHBondContact O-N 3.39Å; Q107-Y109 VanDerWaalsContact C-N 3.27Å; Q107-Y109 PolarHBondContact O-N 2.84Å; Y109-N111 PolarHBondContact O-N 2.03Å; Y109-K112 PolarHBondContact O-N 2.86Å; Y109-K112 VanDerWaalsContact O-N 3.07Å; Y109-V113 HydrophobicContact CD1-CG2 4.37Å; Y109-V113 HydrophobicContact CE1-CG2 3.98Å; Y109-V113 HydrophobicContact CE2-CG2 4.13Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 3.08Å; Y109-T156 HydrophobicContact CD1-CG2 4.34Å; Y109-T156 HydrophobicContact CE1-CG2 4Å; Y109-I160 HydrophobicContact CD1-CD1 4.1Å; Y109-L165 HydrophobicContact CE1-CD1 3.93Å; Y109-C166 PolarHBondContact OH-O 3.48Å |
| 110 | I | 93.8 | Very high | 92.1 | Very high | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -48.6 | 179.2 | -66.4 | 169.1 | 0 | 0 | 0 | 110.5 | N106 Q107 K112 V113 D114 E157 I160 | N106-I110 HydrophobicContact CB-CD1 3.8Å; N106-I110 WeakPolarHBondContact O-CG1 3.03Å; N106-I110 PolarHBondContact O-N 2.83Å; Q107-I110 PolarHBondContact O-N 2.8Å; I110-K112 PolarHBondContact O-N 2.84Å; I110-V113 PolarHBondContact O-N 3.22Å; I110-D114 PolarHBondContact O-N 2.81Å; I110-E157 HydrophobicContact CD1-CB 4.07Å; I110-E157 HydrophobicContact CD1-CG 4.11Å; I110-I160 HydrophobicContact CD1-CD1 4.36Å; I110-I160 HydrophobicContact CG1-CD1 4.08Å |
| 111 | N | 94.2 | Very high | 91.6 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 48% | 0.481 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.2 | -36 | 178 | -71.2 | -21.1 | 0 | 0 | 0 | 112.7 | Q107 Y109 E115 | Q107-N111 VanDerWaalsContact O-CB 3.27Å; Q107-N111 WeakPolarHBondContact O-CB 3.04Å; Q107-N111 PolarHBondContact O-N 3.14Å; Q107-N111 PolarHBondContact O-ND2 3.48Å; Y109-N111 PolarHBondContact O-N 2.03Å; N111-E115 VanDerWaalsContact O-CB 3.32Å; N111-E115 WeakPolarHBondContact O-CB 3.47Å; N111-E115 PolarHBondContact O-N 2.89Å |
| 112 | K | 94.1 | Very high | 90.7 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 34% | 0.335 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.5 | -32.2 | 178.2 | -74.6 | -74.5 | 168.1 | -161 | 0 | 112.8 | A87 R88 P108 Y109 I110 E115 L116 | A87-K112 HydrophobicContact CB-CB 4.5Å; R88-K112 WeakPolarHBondContact O-CD 3.43Å; R88-K112 WeakPolarHBondContact O-CG 3.31Å; P108-K112 VanDerWaalsContact O-CG 3.25Å; P108-K112 WeakPolarHBondContact O-CG 3.5Å; P108-K112 PolarHBondContact O-N 2.89Å; Y109-K112 PolarHBondContact O-N 2.86Å; Y109-K112 VanDerWaalsContact O-N 3.07Å; I110-K112 PolarHBondContact O-N 2.84Å; K112-E115 IonicContact NZ-OE2 3.42Å; K112-E115 PolarHBondContact NZ-OE2 3.2Å; K112-L116 WeakPolarHBondContact O-CB 3.49Å; K112-L116 PolarHBondContact O-N 3Å |
| 113 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.2 | -42.8 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | A87 Y109 I110 E115 L116 F117 T156 Y168 | A87-V113 HydrophobicContact CB-CB 4.44Å; A87-V113 HydrophobicContact CB-CG2 3.57Å; Y109-V113 HydrophobicContact CD1-CG2 4.37Å; Y109-V113 HydrophobicContact CE1-CG2 3.98Å; Y109-V113 HydrophobicContact CE2-CG2 4.13Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 3.08Å; I110-V113 PolarHBondContact O-N 3.22Å; V113-E115 PolarHBondContact O-N 2.97Å; V113-L116 CarbonylContact O-C 3.55Å; V113-L116 WeakPolarHBondContact O-CA 3.34Å; V113-L116 VanDerWaalsContact O-CB 3.31Å; V113-L116 WeakPolarHBondContact O-CB 3.48Å; V113-L116 PolarHBondContact O-N 2.93Å; V113-L116 VanDerWaalsContact O-N 3.09Å; V113-F117 HydrophobicContact CG1-CD1 4.45Å; V113-F117 HydrophobicContact CG1-CD2 3.94Å; V113-F117 HydrophobicContact CG1-CE1 4.05Å; V113-F117 HydrophobicContact CG1-CE2 3.49Å; V113-F117 VanDerWaalsContact CG1-CE2 3.49Å; V113-F117 HydrophobicContact CG1-CG 4.41Å; V113-F117 HydrophobicContact CG1-CZ 3.57Å; V113-F117 WeakPolarHBondContact O-CG 3.36Å; V113-F117 PolarHBondContact O-N 3.2Å; V113-T156 HydrophobicContact CG1-CG2 4.47Å; V113-T156 VanDerWaalsContact CG1-OG1 3.3Å; V113-T156 WeakPolarHBondContact CG1-OG1 3.39Å; V113-T156 HydrophobicContact CG2-CG2 4.27Å; V113-Y168 HydrophobicContact CB-CE2 4.21Å; V113-Y168 HydrophobicContact CG1-CD2 4.11Å; V113-Y168 HydrophobicContact CG1-CE2 3.5Å; V113-Y168 HydrophobicContact CG2-CD2 3.86Å; V113-Y168 HydrophobicContact CG2-CE2 3.56Å |
| 114 | D | 93.9 | Very high | 88.6 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 175.5 | -68.1 | -25.3 | 0 | 0 | 0 | 111.6 | I110 L116 F117 S118 | I110-D114 PolarHBondContact O-N 2.81Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.16Å; D114-F117 PolarHBondContact O-N 3.42Å; D114-S118 WeakPolarHBondContact O-CB 3.4Å; D114-S118 PolarHBondContact O-N 3.32Å |
| 115 | E | 93.8 | Very high | 87.8 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 171.9 | -166.1 | -153.3 | 131.2 | 0 | 0 | 111 | N111 K112 V113 S118 K119 | N111-E115 VanDerWaalsContact O-CB 3.32Å; N111-E115 WeakPolarHBondContact O-CB 3.47Å; N111-E115 PolarHBondContact O-N 2.89Å; K112-E115 IonicContact NZ-OE2 3.42Å; K112-E115 PolarHBondContact NZ-OE2 3.2Å; V113-E115 PolarHBondContact O-N 2.97Å; E115-S118 PolarHBondContact O-OG 3.19Å; E115-K119 IonicContact OE1-NZ 3.25Å; E115-K119 PolarHBondContact OE1-NZ 3.47Å |
| 116 | L | 93.6 | Very high | 87.2 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -51.3 | 175.5 | 177.7 | 67.5 | 0 | 0 | 0 | 110.9 | A86 A87 K112 V113 D114 S118 K119 Y120 Y168 L242 | A86-L116 HydrophobicContact CB-CD1 4Å; A86-L116 HydrophobicContact CB-CD2 3.51Å; A86-L116 HydrophobicContact CB-CG 4.43Å; A87-L116 HydrophobicContact CB-CD2 4.28Å; K112-L116 WeakPolarHBondContact O-CB 3.49Å; K112-L116 PolarHBondContact O-N 3Å; V113-L116 CarbonylContact O-C 3.55Å; V113-L116 WeakPolarHBondContact O-CA 3.34Å; V113-L116 VanDerWaalsContact O-CB 3.31Å; V113-L116 WeakPolarHBondContact O-CB 3.48Å; V113-L116 PolarHBondContact O-N 2.93Å; V113-L116 VanDerWaalsContact O-N 3.09Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.16Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.82Å; L116-K119 WeakPolarHBondContact O-CB 3.32Å; L116-K119 PolarHBondContact O-N 3.14Å; L116-Y120 HydrophobicContact CD1-CE2 3.9Å; L116-Y120 HydrophobicContact CG-CE2 4.21Å; L116-Y120 WeakPolarHBondContact O-CD2 3Å; L116-Y168 HydrophobicContact CD2-CG 4.45Å; L116-L242 HydrophobicContact CD2-CD1 4.12Å; L116-L242 HydrophobicContact CD2-CD2 4.49Å; L116-L242 HydrophobicContact CG-CD1 4.39Å |
| 117 | F | 93.7 | Very high | 86.6 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 10% | 0.101 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.3 | -32.9 | -178 | -68.2 | -13.5 | 0 | 0 | 0 | 113.1 | V113 D114 K119 Y120 G121 L147 L150 Y168 L242 | V113-F117 HydrophobicContact CG1-CD1 4.45Å; V113-F117 HydrophobicContact CG1-CD2 3.94Å; V113-F117 HydrophobicContact CG1-CE1 4.05Å; V113-F117 HydrophobicContact CG1-CE2 3.49Å; V113-F117 VanDerWaalsContact CG1-CE2 3.49Å; V113-F117 HydrophobicContact CG1-CG 4.41Å; V113-F117 HydrophobicContact CG1-CZ 3.57Å; V113-F117 WeakPolarHBondContact O-CG 3.36Å; V113-F117 PolarHBondContact O-N 3.2Å; D114-F117 PolarHBondContact O-N 3.42Å; F117-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact O-N 3.14Å; F117-Y120 PolarHBondContact O-N 3.44Å; F117-G121 PolarHBondContact O-N 3.23Å; F117-L147 HydrophobicContact CB-CD1 3.98Å; F117-L147 HydrophobicContact CD1-CD1 4.36Å; F117-L147 HydrophobicContact CD1-CD2 3.87Å; F117-L147 HydrophobicContact CE1-CD2 4.21Å; F117-L147 HydrophobicContact CG-CD1 4.15Å; F117-L147 HydrophobicContact CG-CD2 4.47Å; F117-L150 HydrophobicContact CE1-CD1 3.73Å; F117-L150 HydrophobicContact CZ-CD1 3.96Å; F117-Y168 HydrophobicContact CE1-CD1 4.1Å; F117-Y168 AromaticContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CZ-CD1 4.12Å; F117-Y168 AromaticContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE1 3.49Å; F117-Y168 VanDerWaalsContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE2 4.46Å; F117-Y168 AromaticContact CZ-CZ 3.69Å; F117-L242 HydrophobicContact CE1-CD1 4.39Å |
| 118 | S | 91.8 | Very high | 86 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.1 | -31.4 | 174.7 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | D114 E115 L116 Y120 G121 | D114-S118 WeakPolarHBondContact O-CB 3.4Å; D114-S118 PolarHBondContact O-N 3.32Å; E115-S118 PolarHBondContact O-OG 3.19Å; L116-S118 VanDerWaalsContact C-N 3.32Å; L116-S118 PolarHBondContact O-N 2.82Å; S118-Y120 VanDerWaalsContact C-N 3.26Å; S118-Y120 PolarHBondContact O-N 3.49Å; S118-G121 PolarHBondContact O-N 3.19Å |
| 119 | K | 90.1 | Very high | 85.1 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.5 | 177.5 | -61.7 | 169.1 | -171.7 | 167.3 | 0 | 112.7 | E115 L116 F117 | E115-K119 IonicContact OE1-NZ 3.25Å; E115-K119 PolarHBondContact OE1-NZ 3.47Å; L116-K119 WeakPolarHBondContact O-CB 3.32Å; L116-K119 PolarHBondContact O-N 3.14Å; F117-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact O-N 3.14Å |
| 120 | Y | 90.1 | Very high | 83.9 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -15.7 | 178.7 | -66.6 | -89.6 | 0 | 0 | 0 | 113.3 | L116 F117 S118 S122 F145 L147 Q239 A240 L242 | L116-Y120 HydrophobicContact CD1-CE2 3.9Å; L116-Y120 HydrophobicContact CG-CE2 4.21Å; L116-Y120 WeakPolarHBondContact O-CD2 3Å; F117-Y120 PolarHBondContact O-N 3.44Å; S118-Y120 VanDerWaalsContact C-N 3.26Å; S118-Y120 PolarHBondContact O-N 3.49Å; Y120-S122 VanDerWaalsContact C-N 3.29Å; Y120-S122 PolarHBondContact O-N 3.42Å; Y120-F145 HydrophobicContact CD1-CB 3.94Å; Y120-F145 AromaticContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CG 4.29Å; Y120-F145 HydrophobicContact CE1-CB 4.17Å; Y120-F145 HydrophobicContact CE1-CD1 4.16Å; Y120-F145 HydrophobicContact CE1-CG 4.35Å; Y120-L147 HydrophobicContact CD2-CD2 4.45Å; Y120-L147 HydrophobicContact CG-CD2 4.15Å; Y120-Q239 HydrophobicContact CD1-CB 3.71Å; Y120-Q239 HydrophobicContact CD1-CG 3.72Å; Y120-Q239 HydrophobicContact CE1-CB 3.63Å; Y120-Q239 HydrophobicContact CE1-CG 4.03Å; Y120-Q239 PolarHBondContact O-NE2 3.23Å; Y120-Q239 VanDerWaalsContact O-NE2 3.11Å; Y120-A240 WeakPolarHBondContact CE1-O 3.37Å; Y120-A240 PolarHBondContact OH-O 3.29Å; Y120-L242 HydrophobicContact CD2-CD1 4.19Å; Y120-L242 HydrophobicContact CE1-CD1 4.49Å; Y120-L242 HydrophobicContact CE1-CG 4.36Å; Y120-L242 HydrophobicContact CE2-CD1 3.72Å; Y120-L242 HydrophobicContact CE2-CD2 4.38Å; Y120-L242 HydrophobicContact CE2-CG 4.19Å; Y120-L242 WeakPolarHBondContact OH-CD2 3.19Å |
| 121 | G | 81.3 | Confident | 82.5 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | trans | -68.5 | -21 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F117 S118 K123 | F117-G121 PolarHBondContact O-N 3.23Å; S118-G121 PolarHBondContact O-N 3.19Å; G121-K123 PolarHBondContact O-N 2.85Å | ||
| 122 | S | 71.8 | Confident | 80.8 | Confident | 87 Ų | 87 | 68.3 Ų | 68.3 | 61% | 0.608 | 41% | 0.413 | S | S | * | . | trans | -78.5 | 79.8 | -178.5 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | Y120 G124 | Y120-S122 VanDerWaalsContact C-N 3.29Å; Y120-S122 PolarHBondContact O-N 3.42Å; S122-G124 VanDerWaalsContact C-N 3.33Å; S122-G124 PolarHBondContact O-N 3Å | ||
| 123 | K | 66.4 | Low | 79.1 | Confident | 109 Ų | 109 | 65.7 Ų | 65.7 | 47% | 0.474 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -72.3 | -20.3 | 178.9 | -67.1 | -167.8 | 175.8 | -166.5 | 0 | 114.4 | G121 V125 N126 D146 | G121-K123 PolarHBondContact O-N 2.85Å; K123-V125 PolarHBondContact O-N 2.84Å; K123-N126 PolarHBondContact O-N 2.94Å; K123-D146 IonicContact NZ-OD1 2.89Å |
| 124 | G | 64.6 | Low | 77.4 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 90% | 0.897 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -63.8 | -13.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S122 | S122-G124 VanDerWaalsContact C-N 3.33Å; S122-G124 PolarHBondContact O-N 3Å |
| 125 | V | 75 | Confident | 76 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -110.9 | -16.6 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | K123 | K123-V125 PolarHBondContact O-N 2.84Š|
| 126 | N | 77.7 | Confident | 74.4 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 8% | 0.075 | 43% | 0.432 | C | S | . | . | trans | -107.9 | 140.5 | -168.1 | -62 | -0.7 | 0 | 0 | 0 | 109.9 | K123 P142 N237 Q239 | K123-N126 PolarHBondContact O-N 2.94Å; N126-P142 WeakPolarHBondContact OD1-CG 3.48Å; N126-N237 PolarHBondContact ND2-O 2.97Å; N126-N237 VanDerWaalsContact ND2-O 3.14Å; N126-Q239 PolarHBondContact ND2-NE2 2.86Å | ||
| 127 | E | 79.5 | Confident | 73 | Confident | 70 Ų | 70 | 75.9 Ų | 75.9 | 33% | 0.327 | 47% | 0.465 | S | S | . | . | B | Isolated β-bridge | trans | -99.6 | 154.4 | -178.5 | -72 | 174.7 | 176.9 | 0 | 0 | 111.3 | H135 N138 V141 P142 C143 S144 | E127-H135 IonicContact OE2-CD2 2.75Å; E127-H135 IonicContact OE2-CE1 2.84Å; E127-H135 PolarHBondContact OE2-CE1 3.35Å; E127-H135 IonicContact OE2-CG 3.41Å; E127-H135 IonicContact OE2-ND1 2.76Å; E127-H135 PolarHBondContact OE2-ND1 2.9Å; E127-H135 IonicContact OE2-NE2 3.73Å; E127-H135 PolarHBondContact OE2-NE2 2.79Å; E127-N138 PolarHBondContact OE1-ND2 2.82Å; E127-V141 HydrophobicContact CB-CG1 4.09Å; E127-V141 HydrophobicContact CG-CG1 3.86Å; E127-P142 PolarHBondContact N-O 3.46Å; E127-C143 CarbonylContact O-C 3.59Å; E127-C143 WeakPolarHBondContact O-CA 3.38Å; E127-S144 PolarHBondContact O-N 2.9Å |
| 128 | E | 78.9 | Confident | 72.1 | Confident | 149 Ų | 149 | 78 Ų | 78 | 70% | 0.696 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 119.2 | 174.2 | -71.9 | -178 | -172.3 | 0 | 0 | 110.5 | ||
| 129 | C | 75.6 | Confident | 71.3 | Confident | 25 Ų | 25 | 77.4 Ų | 77.4 | 17% | 0.169 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -88.8 | 117.7 | -176.2 | -68.5 | 0 | 0 | 0 | 0 | 111.9 | G131 C143 N228 | C129-G131 PolarHBondContact O-N 2.95Å; C129-C143 HydrophobicContact CB-CB 3.78Å; C129-C143 WeakPolarHBondContact CB-SG 3.49Å; C129-C143 WeakPolarHBondContact SG-CA 3.45Å; C129-C143 WeakPolarHBondContact SG-CB 3.48Å; C129-C143 CovalentContact SG-SG 2.02Å; C129-C143 PolarHBondContact SG-SG 3.42Å; C129-N228 HydrophobicContact CB-CB 4.19Å; C129-N228 PolarHBondContact O-ND2 2.97Å |
| 130 | S | 67.9 | Low | 70.7 | Confident | 131 Ų | 131 | 77.8 Ų | 77.8 | 92% | 0.916 | 48% | 0.48 | S | S | * | . | trans | -79.5 | -8.7 | -177.6 | -64.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 131 | G | 63.7 | Low | 70.3 | Confident | 32 Ų | 32 | 79 Ų | 79 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -163.9 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C129 N228 | C129-G131 PolarHBondContact O-N 2.95Å; G131-N228 WeakPolarHBondContact O-CB 3.23Å; G131-N228 PolarHBondContact O-OD1 2.67Å |
| 132 | P | 59.7 | Low | 70.5 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 64% | 0.643 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -71.7 | 138.3 | -176.1 | 28.5 | -35.2 | 0 | 0 | 0 | 111.9 | N227 N228 | P132-N227 HydrophobicContact CB-CB 3.64Å; P132-N228 WeakPolarHBondContact CA-OD1 3.3Å |
| 133 | G | 58.1 | Low | 71.2 | Confident | 22 Ų | 22 | 72.9 Ų | 72.9 | 23% | 0.227 | 44% | 0.437 | C | S | . | . | S | Bend | trans | 104.3 | -173.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F230 | G133-F230 WeakPolarHBondContact CA-O 3.23Š|
| 134 | L | 58.4 | Low | 72.2 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -56.8 | 138.7 | 178.7 | -79.5 | 147.8 | 0 | 0 | 0 | 110.7 | P136 P139 P231 L233 | L134-P136 VanDerWaalsContact O-N 3.09Å; L134-P139 HydrophobicContact CD2-CB 3.78Å; L134-P139 VanDerWaalsContact CD2-O 3.31Å; L134-P139 WeakPolarHBondContact CD2-O 3.31Å; L134-P231 HydrophobicContact CD1-CG 4.31Å; L134-P231 HydrophobicContact CG-CG 4.25Å; L134-L233 HydrophobicContact CD1-CD1 4.15Å; L134-L233 HydrophobicContact CD2-CD1 3.5Å; L134-L233 VanDerWaalsContact CD2-CD1 3.5Å; L134-L233 HydrophobicContact CD2-CG 4.4Å; L134-L233 HydrophobicContact CG-CD1 4.35Å |
| 135 | H | 63.8 | Low | 73.4 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | trans | -52.3 | 121.5 | 175.9 | -172.3 | -98.4 | 0 | 0 | 0 | 108.7 | E127 Q137 N138 | E127-H135 IonicContact OE2-CD2 2.75Å; E127-H135 IonicContact OE2-CE1 2.84Å; E127-H135 PolarHBondContact OE2-CE1 3.35Å; E127-H135 IonicContact OE2-CG 3.41Å; E127-H135 IonicContact OE2-ND1 2.76Å; E127-H135 PolarHBondContact OE2-ND1 2.9Å; E127-H135 IonicContact OE2-NE2 3.73Å; E127-H135 PolarHBondContact OE2-NE2 2.79Å; H135-Q137 PolarHBondContact O-N 2.95Å; H135-N138 WeakPolarHBondContact CB-O 3.21Å; H135-N138 PolarHBondContact ND1-N 3.01Å; H135-N138 CarbonylContact O-C 3.47Å; H135-N138 PolarHBondContact O-N 2.75Å | ||
| 136 | P | 61.3 | Low | 74.1 | Confident | 121 Ų | 121 | 63.3 Ų | 63.3 | 79% | 0.786 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -62.8 | -22.5 | -164.5 | 19.6 | -31 | 0 | 0 | 0 | 113 | L134 | L134-P136 VanDerWaalsContact O-N 3.09Š|
| 137 | Q | 64.6 | Low | 74.7 | Confident | 160 Ų | 160 | 63.9 Ų | 63.9 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -101.5 | -31.1 | -178.9 | -58.3 | -175.8 | 39.4 | 0 | 0 | 112.9 | H135 | H135-Q137 PolarHBondContact O-N 2.95Š|
| 138 | N | 74.2 | Confident | 75.2 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | trans | -140.5 | 84.7 | -170.6 | -75.4 | -27.3 | 0 | 0 | 0 | 111.1 | E127 H135 D140 V141 | E127-N138 PolarHBondContact OE1-ND2 2.82Å; H135-N138 WeakPolarHBondContact CB-O 3.21Å; H135-N138 PolarHBondContact ND1-N 3.01Å; H135-N138 CarbonylContact O-C 3.47Å; H135-N138 PolarHBondContact O-N 2.75Å; N138-D140 PolarHBondContact O-N 2.69Å; N138-V141 HydrophobicContact CB-CB 3.94Å; N138-V141 HydrophobicContact CB-CG2 3.71Å; N138-V141 PolarHBondContact O-N 3.48Å; N138-V141 VanDerWaalsContact O-N 3.09Å | ||
| 139 | P | 74.3 | Confident | 75.9 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 42% | 0.422 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.1 | -176 | 25.4 | -34.9 | 0 | 0 | 0 | 114.2 | L134 | L134-P139 HydrophobicContact CD2-CB 3.78Å; L134-P139 VanDerWaalsContact CD2-O 3.31Å; L134-P139 WeakPolarHBondContact CD2-O 3.31Å |
| 140 | D | 78 | Confident | 76.7 | Confident | 131 Ų | 131 | 58 Ų | 58 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -10.3 | -179.9 | -65.2 | -35 | 0 | 0 | 0 | 113.7 | N138 M235 | N138-D140 PolarHBondContact O-N 2.69Å; D140-M235 WeakPolarHBondContact O-CG 2.74Å |
| 141 | V | 82.4 | Confident | 77.8 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 22% | 0.218 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -94.2 | 124.1 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | E127 N138 | E127-V141 HydrophobicContact CB-CG1 4.09Å; E127-V141 HydrophobicContact CG-CG1 3.86Å; N138-V141 HydrophobicContact CB-CB 3.94Å; N138-V141 HydrophobicContact CB-CG2 3.71Å; N138-V141 PolarHBondContact O-N 3.48Å; N138-V141 VanDerWaalsContact O-N 3.09Å |
| 142 | P | 84.7 | Confident | 79.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -77 | 151.2 | 179.5 | 34.2 | -36.9 | 0 | 0 | 0 | 111.9 | N126 E127 M235 N236 Y238 | N126-P142 WeakPolarHBondContact OD1-CG 3.48Å; E127-P142 PolarHBondContact N-O 3.46Å; P142-M235 HydrophobicContact CB-CB 4.03Å; P142-M235 HydrophobicContact CB-SD 4.04Å; P142-M235 HydrophobicContact CG-CB 4.33Å; P142-N236 WeakPolarHBondContact CG-O 3.4Å; P142-Y238 HydrophobicContact CB-CD2 3.97Å |
| 143 | C | 86.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 136.1 | 172 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | E127 C129 N228 Y229 | E127-C143 CarbonylContact O-C 3.59Å; E127-C143 WeakPolarHBondContact O-CA 3.38Å; C129-C143 HydrophobicContact CB-CB 3.78Å; C129-C143 WeakPolarHBondContact CB-SG 3.49Å; C129-C143 WeakPolarHBondContact SG-CA 3.45Å; C129-C143 WeakPolarHBondContact SG-CB 3.48Å; C129-C143 CovalentContact SG-SG 2.02Å; C129-C143 PolarHBondContact SG-SG 3.42Å; C143-N228 PolarHBondContact SG-O 2.79Å; C143-Y229 HydrophobicContact CB-CD1 3.84Å; C143-Y229 HydrophobicContact CB-CE1 3.88Å |
| 144 | S | 88 | Confident | 82.4 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 134.8 | 169.7 | 94.9 | 0 | 0 | 0 | 0 | 110.1 | E127 Y229 | E127-S144 PolarHBondContact O-N 2.9Å; S144-Y229 PolarHBondContact O-OH 2.87Å |
| 145 | F | 89.6 | Confident | 84 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 119.9 | 175.1 | 179.8 | -92.7 | 0 | 0 | 0 | 109.4 | Y120 L147 L150 Y229 Q239 P241 L242 | Y120-F145 HydrophobicContact CD1-CB 3.94Å; Y120-F145 AromaticContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CD1 3.92Å; Y120-F145 HydrophobicContact CD1-CG 4.29Å; Y120-F145 HydrophobicContact CE1-CB 4.17Å; Y120-F145 HydrophobicContact CE1-CD1 4.16Å; Y120-F145 HydrophobicContact CE1-CG 4.35Å; F145-L147 HydrophobicContact CD1-CD2 4.18Å; F145-L147 HydrophobicContact CE1-CD2 4.14Å; F145-L150 HydrophobicContact CE1-CD2 4.48Å; F145-L150 HydrophobicContact CE1-CG 4.46Å; F145-L150 HydrophobicContact CZ-CD2 4.24Å; F145-Y229 WeakPolarHBondContact CA-OH 3.16Å; F145-Y229 HydrophobicContact CB-CE1 3.88Å; F145-Y229 AromaticContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE2 4.15Å; F145-Y229 AromaticContact CD2-CZ 3.6Å; F145-Y229 WeakPolarHBondContact CD2-OH 3.39Å; F145-Y229 HydrophobicContact CG-CE1 4.46Å; F145-Q239 HydrophobicContact CB-CB 4.08Å; F145-P241 HydrophobicContact CD2-CB 4.09Å; F145-P241 HydrophobicContact CE2-CB 4.08Å; F145-L242 HydrophobicContact CE1-CB 3.81Å; F145-L242 HydrophobicContact CE1-CD1 4.3Å; F145-L242 HydrophobicContact CE1-CG 4.12Å; F145-L242 HydrophobicContact CZ-CB 3.75Å; F145-L242 HydrophobicContact CZ-CG 4.48Å; F145-L242 VanDerWaalsContact CZ-O 3.31Å; F145-L242 WeakPolarHBondContact CZ-O 3.21Å |
| 146 | D | 88.9 | Confident | 85.2 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 122.3 | 178 | -166.5 | 11 | 0 | 0 | 0 | 111.3 | K123 S148 V149 | K123-D146 IonicContact NZ-OD1 2.89Å; D146-S148 PolarHBondContact O-N 3.43Å; D146-S148 PolarHBondContact OD1-N 2.89Å; D146-S148 WeakPolarHBondContact OD2-CB 3.49Å; D146-S148 PolarHBondContact OD2-OG 2.87Å; D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 WeakPolarHBondContact O-CG2 3.16Å; D146-V149 PolarHBondContact O-N 3.07Å |
| 147 | L | 91.2 | Very high | 86.6 | Confident | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -68.9 | -18.1 | 179.1 | -65.8 | 176.6 | 0 | 0 | 0 | 112.5 | F117 Y120 F145 V149 L150 L242 | F117-L147 HydrophobicContact CB-CD1 3.98Å; F117-L147 HydrophobicContact CD1-CD1 4.36Å; F117-L147 HydrophobicContact CD1-CD2 3.87Å; F117-L147 HydrophobicContact CE1-CD2 4.21Å; F117-L147 HydrophobicContact CG-CD1 4.15Å; F117-L147 HydrophobicContact CG-CD2 4.47Å; Y120-L147 HydrophobicContact CD2-CD2 4.45Å; Y120-L147 HydrophobicContact CG-CD2 4.15Å; F145-L147 HydrophobicContact CD1-CD2 4.18Å; F145-L147 HydrophobicContact CE1-CD2 4.14Å; L147-V149 PolarHBondContact O-N 3.09Å; L147-L150 HydrophobicContact CD2-CD1 4.02Å; L147-L150 WeakPolarHBondContact O-CB 3.27Å; L147-L150 PolarHBondContact O-N 3.25Å; L147-L150 VanDerWaalsContact O-N 3.09Å; L147-L242 HydrophobicContact CD2-CD1 4.39Å |
| 148 | S | 90.3 | Very high | 87.9 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -59.3 | -27.4 | 176.6 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | D146 L150 G151 | D146-S148 PolarHBondContact O-N 3.43Å; D146-S148 PolarHBondContact OD1-N 2.89Å; D146-S148 WeakPolarHBondContact OD2-CB 3.49Å; D146-S148 PolarHBondContact OD2-OG 2.87Å; S148-L150 PolarHBondContact O-N 3.3Å; S148-G151 PolarHBondContact O-N 3.42Å; S148-G151 VanDerWaalsContact O-N 3.09Å |
| 149 | V | 91.9 | Very high | 88.7 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -64.2 | -21 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | D146 L147 G151 P212 | D146-V149 HydrophobicContact CB-CG2 4.37Å; D146-V149 WeakPolarHBondContact O-CG2 3.16Å; D146-V149 PolarHBondContact O-N 3.07Å; L147-V149 PolarHBondContact O-N 3.09Å; V149-G151 PolarHBondContact O-N 2.02Å; V149-P212 HydrophobicContact CG1-CB 3.67Å; V149-P212 HydrophobicContact CG1-CG 3.67Å |
| 150 | L | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -76 | -4.1 | 177.2 | -55.9 | 178.5 | 0 | 0 | 0 | 113.3 | F117 F145 L147 S148 E152 C153 Y168 F211 L242 A244 | F117-L150 HydrophobicContact CE1-CD1 3.73Å; F117-L150 HydrophobicContact CZ-CD1 3.96Å; F145-L150 HydrophobicContact CE1-CD2 4.48Å; F145-L150 HydrophobicContact CE1-CG 4.46Å; F145-L150 HydrophobicContact CZ-CD2 4.24Å; L147-L150 HydrophobicContact CD2-CD1 4.02Å; L147-L150 WeakPolarHBondContact O-CB 3.27Å; L147-L150 PolarHBondContact O-N 3.25Å; L147-L150 VanDerWaalsContact O-N 3.09Å; S148-L150 PolarHBondContact O-N 3.3Å; L150-E152 PolarHBondContact O-N 3.2Å; L150-C153 WeakPolarHBondContact O-CB 3.3Å; L150-C153 PolarHBondContact O-N 3.17Å; L150-C153 VanDerWaalsContact O-N 3.08Å; L150-Y168 HydrophobicContact CD1-CD1 4.2Å; L150-Y168 HydrophobicContact CD1-CE1 4.14Å; L150-F211 WeakPolarHBondContact O-CB 3.49Å; L150-F211 WeakPolarHBondContact O-CG 3.43Å; L150-L242 HydrophobicContact CD1-CD1 4.37Å; L150-L242 HydrophobicContact CD2-CB 4.11Å; L150-A244 HydrophobicContact CB-CB 4.44Å; L150-A244 HydrophobicContact CD2-CB 4.01Å |
| 151 | G | 91.5 | Very high | 90.2 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | 56.8 | -130 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S148 V149 C153 Q154 | S148-G151 PolarHBondContact O-N 3.42Å; S148-G151 VanDerWaalsContact O-N 3.09Å; V149-G151 PolarHBondContact O-N 2.02Å; G151-C153 PolarHBondContact O-N 3.18Å; G151-C153 VanDerWaalsContact O-N 3.15Å; G151-Q154 WeakPolarHBondContact O-CB 3.45Å; G151-Q154 PolarHBondContact O-N 3.16Å; G151-Q154 VanDerWaalsContact O-N 3.08Å |
| 152 | E | 92 | Very high | 90.6 | Very high | 85 Ų | 85 | 44.7 Ų | 44.7 | 40% | 0.397 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -57.4 | -29.3 | 179.1 | -67.2 | -179.2 | -161.2 | 0 | 0 | 112.7 | L150 Q154 S155 T159 K164 F211 Q246 | L150-E152 PolarHBondContact O-N 3.2Å; E152-Q154 PolarHBondContact O-N 3.5Å; E152-S155 PolarHBondContact O-N 3.32Å; E152-T159 PolarHBondContact O-OG1 3.2Å; E152-T159 VanDerWaalsContact O-OG1 3.09Å; E152-K164 IonicContact OE2-NZ 2.85Å; E152-K164 PolarHBondContact OE2-NZ 3.23Å; E152-F211 HydrophobicContact CB-CZ 4.31Å; E152-F211 HydrophobicContact CG-CZ 4.47Å; E152-Q246 PolarHBondContact OE2-NE2 2.99Å |
| 153 | C | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -76.3 | 3.1 | -179.7 | -67 | 0 | 0 | 0 | 0 | 113.6 | L150 G151 S155 C166 Y168 A244 | L150-C153 WeakPolarHBondContact O-CB 3.3Å; L150-C153 PolarHBondContact O-N 3.17Å; L150-C153 VanDerWaalsContact O-N 3.08Å; G151-C153 PolarHBondContact O-N 3.18Å; G151-C153 VanDerWaalsContact O-N 3.15Å; C153-S155 VanDerWaalsContact C-N 3.28Å; C153-C166 WeakPolarHBondContact CA-SG 3.29Å; C153-C166 HydrophobicContact CB-CB 3.61Å; C153-C166 WeakPolarHBondContact CB-SG 3.32Å; C153-C166 WeakPolarHBondContact SG-CB 2.99Å; C153-C166 CovalentContact SG-SG 2.04Å; C153-C166 PolarHBondContact SG-SG 3.05Å; C153-Y168 HydrophobicContact CB-CE1 4.08Å; C153-Y168 WeakPolarHBondContact O-CE1 3.45Å; C153-Y168 PolarHBondContact O-OH 3.26Å; C153-A244 HydrophobicContact CB-CB 3.52Å |
| 154 | Q | 92 | Very high | 91.1 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -68.7 | -31.2 | 170.1 | -170.8 | -179.9 | -3.6 | 0 | 0 | 111.7 | G151 E152 | G151-Q154 WeakPolarHBondContact O-CB 3.45Å; G151-Q154 PolarHBondContact O-N 3.16Å; G151-Q154 VanDerWaalsContact O-N 3.08Å; E152-Q154 PolarHBondContact O-N 3.5Å |
| 155 | S | 91.2 | Very high | 91.3 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 48% | 0.483 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -106.3 | 73.1 | -177.9 | -63 | 0 | 0 | 0 | 0 | 111.6 | E152 C153 E157 K158 T159 | E152-S155 PolarHBondContact O-N 3.32Å; C153-S155 VanDerWaalsContact C-N 3.28Å; S155-E157 VanDerWaalsContact C-N 3.34Å; S155-E157 PolarHBondContact O-N 2.92Å; S155-K158 PolarHBondContact O-N 3.28Å; S155-K158 VanDerWaalsContact O-N 3.11Å; S155-T159 PolarHBondContact O-N 3.3Å; S155-T159 PolarHBondContact O-OG1 3.13Å |
| 156 | T | 90.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.5 | -44.5 | -171.1 | -45.8 | 0 | 0 | 0 | 0 | 113.9 | Y109 V113 K158 T159 I160 Y168 | Y109-T156 HydrophobicContact CD1-CG2 4.34Å; Y109-T156 HydrophobicContact CE1-CG2 4Å; V113-T156 HydrophobicContact CG1-CG2 4.47Å; V113-T156 VanDerWaalsContact CG1-OG1 3.3Å; V113-T156 WeakPolarHBondContact CG1-OG1 3.39Å; V113-T156 HydrophobicContact CG2-CG2 4.27Å; T156-K158 PolarHBondContact O-N 3.1Å; T156-T159 PolarHBondContact O-N 3.1Å; T156-I160 HydrophobicContact CG2-CD1 3.88Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 VanDerWaalsContact O-CG1 3.28Å; T156-I160 WeakPolarHBondContact O-CG1 3.45Å; T156-I160 PolarHBondContact O-N 3.04Å; T156-Y168 PolarHBondContact OG1-OH 3.05Å |
| 157 | E | 90.4 | Very high | 91.9 | Very high | 87 Ų | 87 | 42.4 Ų | 42.4 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.8 | -46 | 179.7 | -175 | 174.4 | -157.5 | 0 | 0 | 111.6 | Q102 I110 S155 T159 I160 L161 | Q102-E157 PolarHBondContact NE2-OE1 3.27Å; I110-E157 HydrophobicContact CD1-CB 4.07Å; I110-E157 HydrophobicContact CD1-CG 4.11Å; S155-E157 VanDerWaalsContact C-N 3.34Å; S155-E157 PolarHBondContact O-N 2.92Å; E157-T159 PolarHBondContact O-N 3.16Å; E157-I160 PolarHBondContact O-N 2.86Å; E157-L161 HydrophobicContact CG-CD1 4.29Å; E157-L161 WeakPolarHBondContact O-CG 3.41Å; E157-L161 PolarHBondContact O-N 2.88Å; E157-L161 VanDerWaalsContact O-N 3.07Å |
| 158 | K | 92 | Very high | 92.1 | Very high | 131 Ų | 131 | 41.1 Ų | 41.1 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.5 | -44 | 177.5 | -173.1 | -174.4 | 177.8 | -164.8 | 0 | 111.2 | S155 T156 I160 L161 E162 | S155-K158 PolarHBondContact O-N 3.28Å; S155-K158 VanDerWaalsContact O-N 3.11Å; T156-K158 PolarHBondContact O-N 3.1Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.95Å; K158-L161 PolarHBondContact O-N 3.27Å; K158-E162 VanDerWaalsContact CE-OE1 3.22Å; K158-E162 WeakPolarHBondContact CE-OE1 3.34Å; K158-E162 IonicContact NZ-OE1 3.48Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.66Å |
| 159 | T | 91.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | -179.2 | -40.6 | 0 | 0 | 0 | 0 | 111.4 | E152 S155 T156 E157 E162 G163 K164 C166 | E152-T159 PolarHBondContact O-OG1 3.2Å; E152-T159 VanDerWaalsContact O-OG1 3.09Å; S155-T159 PolarHBondContact O-N 3.3Å; S155-T159 PolarHBondContact O-OG1 3.13Å; T156-T159 PolarHBondContact O-N 3.1Å; E157-T159 PolarHBondContact O-N 3.16Å; T159-E162 WeakPolarHBondContact O-CB 3.13Å; T159-E162 PolarHBondContact O-N 3.27Å; T159-G163 PolarHBondContact O-N 3Å; T159-K164 CarbonylContact C-O 3.59Å; T159-K164 HydrophobicContact CG2-CB 3.57Å; T159-K164 HydrophobicContact CG2-CD 4.31Å; T159-K164 CarbonylContact O-C 3.58Å; T159-K164 WeakPolarHBondContact O-CA 3.28Å; T159-K164 PolarHBondContact O-N 3.21Å; T159-C166 WeakPolarHBondContact CG2-SG 3.02Å |
| 160 | I | 91.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.1 | -69.3 | 167.5 | 0 | 0 | 0 | 110.9 | V98 A99 Y109 I110 T156 E157 K158 E162 G163 K164 | V98-I160 HydrophobicContact CB-CG2 4.28Å; V98-I160 HydrophobicContact CG1-CD1 4.1Å; A99-I160 VanDerWaalsContact O-CG2 3.22Å; A99-I160 WeakPolarHBondContact O-CG2 3.01Å; Y109-I160 HydrophobicContact CD1-CD1 4.1Å; I110-I160 HydrophobicContact CD1-CD1 4.36Å; I110-I160 HydrophobicContact CG1-CD1 4.08Å; T156-I160 HydrophobicContact CG2-CD1 3.88Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 VanDerWaalsContact O-CG1 3.28Å; T156-I160 WeakPolarHBondContact O-CG1 3.45Å; T156-I160 PolarHBondContact O-N 3.04Å; E157-I160 PolarHBondContact O-N 2.86Å; K158-I160 VanDerWaalsContact C-N 3.33Å; K158-I160 PolarHBondContact O-N 2.95Å; I160-E162 VanDerWaalsContact C-N 3.31Å; I160-E162 PolarHBondContact O-N 3.33Å; I160-G163 WeakPolarHBondContact O-CA 3.32Å; I160-G163 PolarHBondContact O-N 2.88Å; I160-K164 WeakPolarHBondContact CA-O 3.46Å; I160-K164 PolarHBondContact N-O 3.42Å |
| 161 | L | 90.5 | Very high | 92.4 | Very high | 79 Ų | 79 | 37.6 Ų | 37.6 | 41% | 0.414 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.9 | -28.3 | 178 | -68.1 | 173.3 | 0 | 0 | 0 | 113.4 | E157 K158 G163 | E157-L161 HydrophobicContact CG-CD1 4.29Å; E157-L161 WeakPolarHBondContact O-CG 3.41Å; E157-L161 PolarHBondContact O-N 2.88Å; E157-L161 VanDerWaalsContact O-N 3.07Å; K158-L161 PolarHBondContact O-N 3.27Å; L161-G163 PolarHBondContact O-N 3.4Å |
| 162 | E | 90.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 45% | 0.449 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.5 | 168.7 | -71.4 | 177 | -167.2 | 0 | 0 | 112.9 | K158 T159 I160 K164 | K158-E162 VanDerWaalsContact CE-OE1 3.22Å; K158-E162 WeakPolarHBondContact CE-OE1 3.34Å; K158-E162 IonicContact NZ-OE1 3.48Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.66Å; T159-E162 WeakPolarHBondContact O-CB 3.13Å; T159-E162 PolarHBondContact O-N 3.27Å; I160-E162 VanDerWaalsContact C-N 3.31Å; I160-E162 PolarHBondContact O-N 3.33Å; E162-K164 IonicContact OE2-NZ 3.87Å; E162-K164 PolarHBondContact OE2-NZ 3.01Å |
| 163 | G | 89.1 | Confident | 92.4 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 16.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T159 I160 L161 R252 | T159-G163 PolarHBondContact O-N 3Å; I160-G163 WeakPolarHBondContact O-CA 3.32Å; I160-G163 PolarHBondContact O-N 2.88Å; L161-G163 PolarHBondContact O-N 3.4Å; G163-R252 PolarHBondContact O-NH1 2.86Å; G163-R252 PolarHBondContact O-NH2 2.86Å |
| 164 | K | 92.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | trans | -110.5 | 133.2 | 179.9 | -54.9 | 176.2 | -166 | 150.5 | 0 | 109.8 | E152 T159 I160 E162 Q246 L247 | E152-K164 IonicContact OE2-NZ 2.85Å; E152-K164 PolarHBondContact OE2-NZ 3.23Å; T159-K164 CarbonylContact C-O 3.59Å; T159-K164 HydrophobicContact CG2-CB 3.57Å; T159-K164 HydrophobicContact CG2-CD 4.31Å; T159-K164 CarbonylContact O-C 3.58Å; T159-K164 WeakPolarHBondContact O-CA 3.28Å; T159-K164 PolarHBondContact O-N 3.21Å; I160-K164 WeakPolarHBondContact CA-O 3.46Å; I160-K164 PolarHBondContact N-O 3.42Å; E162-K164 IonicContact OE2-NZ 3.87Å; E162-K164 PolarHBondContact OE2-NZ 3.01Å; K164-Q246 HydrophobicContact CB-CG 4.14Å; K164-Q246 HydrophobicContact CD-CG 4.38Å; K164-L247 WeakPolarHBondContact CA-O 3.43Å | ||
| 165 | L | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.1 | 175.9 | 174.7 | 58 | 0 | 0 | 0 | 109.9 | I96 V98 Y109 L167 Q246 L247 V276 V278 | I96-L165 HydrophobicContact CG2-CD1 4.31Å; I96-L165 HydrophobicContact CG2-CD2 4.33Å; V98-L165 HydrophobicContact CG1-CD1 4.2Å; V98-L165 HydrophobicContact CG2-CD1 3.96Å; V98-L165 HydrophobicContact CG2-CD2 4.27Å; V98-L165 HydrophobicContact CG2-CG 4.48Å; Y109-L165 HydrophobicContact CE1-CD1 3.93Å; L165-L167 HydrophobicContact CD1-CD2 4.3Å; L165-L167 HydrophobicContact CD2-CD2 4.02Å; L165-L167 HydrophobicContact CG-CD2 3.98Å; L165-L167 HydrophobicContact CG-CG 4.3Å; L165-Q246 CarbonylContact O-C 3.45Å; L165-Q246 WeakPolarHBondContact O-CA 3.46Å; L165-L247 HydrophobicContact CB-CB 4.4Å; L165-L247 HydrophobicContact CD2-CD1 4.4Å; L165-L247 PolarHBondContact N-O 3.1Å; L165-L247 VanDerWaalsContact N-O 3.07Å; L165-L247 PolarHBondContact O-N 3.01Å; L165-V276 HydrophobicContact CD2-CB 4Å; L165-V276 HydrophobicContact CD2-CG1 3.94Å; L165-V278 HydrophobicContact CB-CG2 4.07Å; L165-V278 HydrophobicContact CD2-CG2 3.95Å |
| 166 | C | 95.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.3 | 171 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | Y109 C153 T159 Y168 V245 | Y109-C166 PolarHBondContact OH-O 3.48Å; C153-C166 WeakPolarHBondContact CA-SG 3.29Å; C153-C166 HydrophobicContact CB-CB 3.61Å; C153-C166 WeakPolarHBondContact CB-SG 3.32Å; C153-C166 WeakPolarHBondContact SG-CB 2.99Å; C153-C166 CovalentContact SG-SG 2.04Å; C153-C166 PolarHBondContact SG-SG 3.05Å; T159-C166 WeakPolarHBondContact CG2-SG 3.02Å; C166-Y168 HydrophobicContact CB-CE2 4.41Å; C166-V245 CarbonylContact C-O 3.55Å; C166-V245 WeakPolarHBondContact CA-O 3.26Å |
| 167 | L | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.7 | 177.8 | -55.9 | 169.5 | 0 | 0 | 0 | 109.2 | L85 I96 L165 A244 V245 L247 F274 V276 | L85-L167 HydrophobicContact CD1-CB 4.33Å; I96-L167 HydrophobicContact CD1-CD2 3.22Å; L165-L167 HydrophobicContact CD1-CD2 4.3Å; L165-L167 HydrophobicContact CD2-CD2 4.02Å; L165-L167 HydrophobicContact CG-CD2 3.98Å; L165-L167 HydrophobicContact CG-CG 4.3Å; L167-A244 CarbonylContact O-C 3.47Å; L167-A244 VanDerWaalsContact O-CA 3.29Å; L167-A244 WeakPolarHBondContact O-CA 3.36Å; L167-V245 HydrophobicContact CB-CB 4.27Å; L167-V245 PolarHBondContact N-O 3.43Å; L167-V245 PolarHBondContact O-N 3.44Å; L167-L247 HydrophobicContact CD1-CD1 3.76Å; L167-L247 HydrophobicContact CD1-CG 4.16Å; L167-F274 HydrophobicContact CD1-CD2 4.27Å; L167-F274 HydrophobicContact CD1-CE2 3.25Å; L167-F274 HydrophobicContact CD1-CZ 3.6Å; L167-F274 HydrophobicContact CG-CE2 4.44Å; L167-V276 HydrophobicContact CD1-CG1 4.4Å; L167-V276 HydrophobicContact CD2-CG1 4.23Å |
| 168 | Y | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.2 | -176.8 | -53.6 | -85.5 | 0 | 0 | 0 | 110.1 | A86 A87 V113 L116 F117 L150 C153 T156 C166 A244 | A86-Y168 WeakPolarHBondContact CB-O 3.18Å; A86-Y168 PolarHBondContact N-O 3.32Å; A87-Y168 HydrophobicContact CB-CD2 4.34Å; V113-Y168 HydrophobicContact CB-CE2 4.21Å; V113-Y168 HydrophobicContact CG1-CD2 4.11Å; V113-Y168 HydrophobicContact CG1-CE2 3.5Å; V113-Y168 HydrophobicContact CG2-CD2 3.86Å; V113-Y168 HydrophobicContact CG2-CE2 3.56Å; L116-Y168 HydrophobicContact CD2-CG 4.45Å; F117-Y168 HydrophobicContact CE1-CD1 4.1Å; F117-Y168 AromaticContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CE1-CE1 3.94Å; F117-Y168 HydrophobicContact CZ-CD1 4.12Å; F117-Y168 AromaticContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE1 3.49Å; F117-Y168 VanDerWaalsContact CZ-CE1 3.49Å; F117-Y168 HydrophobicContact CZ-CE2 4.46Å; F117-Y168 AromaticContact CZ-CZ 3.69Å; L150-Y168 HydrophobicContact CD1-CD1 4.2Å; L150-Y168 HydrophobicContact CD1-CE1 4.14Å; C153-Y168 HydrophobicContact CB-CE1 4.08Å; C153-Y168 WeakPolarHBondContact O-CE1 3.45Å; C153-Y168 PolarHBondContact O-OH 3.26Å; T156-Y168 PolarHBondContact OG1-OH 3.05Å; C166-Y168 HydrophobicContact CB-CE2 4.41Å; Y168-A244 HydrophobicContact CD1-CB 3.97Å; Y168-A244 HydrophobicContact CE1-CB 3.97Å |
| 169 | L | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.6 | 179.6 | -59.5 | 174.8 | 0 | 0 | 0 | 110 | I83 L85 I192 V243 V245 C260 T272 F274 | I83-L169 HydrophobicContact CG2-CB 4.03Å; I83-L169 HydrophobicContact CG2-CD1 4.49Å; I83-L169 HydrophobicContact CG2-CD2 4.12Å; I83-L169 HydrophobicContact CG2-CG 4.45Å; L85-L169 HydrophobicContact CB-CD2 4.45Å; L85-L169 HydrophobicContact CD1-CD2 4.1Å; L169-I192 HydrophobicContact CB-CD1 3.94Å; L169-I192 HydrophobicContact CD1-CD1 4.41Å; L169-I192 HydrophobicContact CD1-CG2 3.76Å; L169-V243 PolarHBondContact N-O 2.75Å; L169-V243 PolarHBondContact O-N 3.46Å; L169-V245 HydrophobicContact CD1-CG2 3.55Å; L169-V245 HydrophobicContact CG-CG2 4.2Å; L169-C260 HydrophobicContact CD1-CB 3.8Å; L169-C260 VanDerWaalsContact CD1-SG 3.54Å; L169-T272 HydrophobicContact CD2-CG2 4.34Å; L169-F274 HydrophobicContact CD2-CE1 4.1Å |
| 170 | K | 93.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 17% | 0.17 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 154.1 | 171.6 | 68.1 | -177.3 | 175.9 | 156.3 | 0 | 110.4 | E84 A86 L242 | E84-K170 HydrophobicContact CG-CD 4.32Å; E84-K170 HydrophobicContact CG-CG 3.77Å; E84-K170 PolarHBondContact N-O 3.25Å; E84-K170 PolarHBondContact O-N 3.41Å; E84-K170 WeakPolarHBondContact OE1-CE 2.98Å; E84-K170 IonicContact OE1-NZ 3.83Å; E84-K170 PolarHBondContact OE1-NZ 3.19Å; A86-K170 HydrophobicContact CB-CD 3.84Å; A86-K170 HydrophobicContact CB-CG 4.04Å; K170-L242 HydrophobicContact CB-CD2 3.83Å; K170-L242 HydrophobicContact CD-CD2 4.38Å |
| 171 | I | 92.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 139.7 | 174.3 | -65.5 | -179.4 | 0 | 0 | 0 | 109.5 | P81 P190 I225 F230 L262 | P81-I171 HydrophobicContact CB-CG2 3.56Å; P81-I171 HydrophobicContact CG-CG2 3.91Å; I171-P190 HydrophobicContact CD1-CB 4.18Å; I171-I225 HydrophobicContact CD1-CD1 3.34Å; I171-I225 HydrophobicContact CG1-CD1 3.56Å; I171-F230 HydrophobicContact CD1-CZ 4.38Å; I171-L262 HydrophobicContact CD1-CD1 4.45Å; I171-L262 HydrophobicContact CD1-CD2 3.61Å; I171-L262 HydrophobicContact CG1-CD2 3.85Å |
| 172 | N | 91.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 40.6 Ų | 40.6 | 32% | 0.321 | 20% | 0.201 | S | C | . | . | trans | -63.4 | 135.1 | 174.3 | -74.5 | -10.7 | 0 | 0 | 0 | 110.8 | G82 E84 V174 | G82-N172 PolarHBondContact O-N 3.25Å; E84-N172 VanDerWaalsContact CD-OD1 3.25Å; E84-N172 VanDerWaalsContact CG-OD1 3.27Å; E84-N172 WeakPolarHBondContact CG-OD1 3.21Å; N172-V174 PolarHBondContact O-N 2.96Å | ||
| 173 | R | 90.7 | Very high | 91 | Very high | 119 Ų | 119 | 40.7 Ų | 40.7 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | trans | -72 | 114.4 | -177.8 | -58.6 | 172 | -174.2 | -170.3 | -8.9 | 109.8 | Y232 Y238 | R173-Y232 HydrophobicContact CB-CD1 3.93Å; R173-Y232 HydrophobicContact CB-CE1 4.09Å; R173-Y232 HydrophobicContact CB-CG 4.22Å; R173-Y238 HydrophobicContact CG-CD1 4.43Å; R173-Y238 HydrophobicContact CG-CE1 4.12Å; R173-Y238 PolarHBondContact NH2-O 3.35Å | ||
| 174 | V | 89.1 | Confident | 90.8 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | trans | -113.5 | 126.9 | 174 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | P81 N172 G176 W177 | P81-V174 HydrophobicContact CB-CG2 3.95Å; N172-V174 PolarHBondContact O-N 2.96Å; V174-G176 PolarHBondContact O-N 2.63Å; V174-W177 HydrophobicContact CB-CB 3.7Å; V174-W177 HydrophobicContact CB-CG 4.3Å; V174-W177 HydrophobicContact CG1-CB 3.87Å; V174-W177 WeakPolarHBondContact O-CB 3.27Å; V174-W177 PolarHBondContact O-N 3.41Å | ||
| 175 | Y | 88.8 | Confident | 90.5 | Very high | 62 Ų | 62 | 52 Ų | 52 | 24% | 0.243 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -61.4 | 127.4 | -177.5 | -174.2 | -83.8 | 0 | 0 | 0 | 110.9 | V67 P68 T71 W177 Y232 L233 R234 | V67-Y175 HydrophobicContact CB-CE1 4.13Å; V67-Y175 HydrophobicContact CG1-CE1 4Å; V67-Y175 HydrophobicContact CG1-CE2 4.32Å; V67-Y175 WeakPolarHBondContact CG1-OH 3.42Å; P68-Y175 HydrophobicContact CG-CD1 4.09Å; P68-Y175 HydrophobicContact CG-CG 3.92Å; T71-Y175 HydrophobicContact CG2-CD1 3.98Å; Y175-W177 PolarHBondContact O-N 3.34Å; Y175-Y232 CarbonylContact C-O 3.5Å; Y175-Y232 WeakPolarHBondContact CA-O 3.27Å; Y175-L233 HydrophobicContact CE1-CD2 4.37Å; Y175-R234 HydrophobicContact CD2-CB 4.32Å; Y175-R234 HydrophobicContact CE2-CB 4.11Å |
| 176 | G | 87 | Confident | 90.2 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 8.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V174 Y232 | V174-G176 PolarHBondContact O-N 2.63Å; G176-Y232 PolarHBondContact N-O 2.96Å |
| 177 | W | 88.3 | Confident | 89.9 | Confident | 14 Ų | 14 | 54 Ų | 54 | 5% | 0.053 | 27% | 0.274 | C | S | . | . | trans | -73 | 130.9 | -179.3 | -179.9 | 80.6 | 0 | 0 | 0 | 111.4 | F79 P81 V174 Y175 P179 P190 F230 P231 L265 | F79-W177 VanDerWaalsContact O-CD1 3.23Å; F79-W177 PolarHBondContact O-NE1 3.03Å; P81-W177 HydrophobicContact CG-CD2 4.14Å; P81-W177 HydrophobicContact CG-CH2 3.94Å; P81-W177 HydrophobicContact CG-CZ2 3.51Å; P81-W177 HydrophobicContact CG-CZ3 4.43Å; V174-W177 HydrophobicContact CB-CB 3.7Å; V174-W177 HydrophobicContact CB-CG 4.3Å; V174-W177 HydrophobicContact CG1-CB 3.87Å; V174-W177 WeakPolarHBondContact O-CB 3.27Å; V174-W177 PolarHBondContact O-N 3.41Å; Y175-W177 PolarHBondContact O-N 3.34Å; W177-P179 HydrophobicContact CH2-CB 3.73Å; W177-P179 HydrophobicContact CZ2-CB 4.05Å; W177-P179 HydrophobicContact CZ3-CB 4.26Å; W177-P190 HydrophobicContact CH2-CG 4.03Å; W177-F230 AromaticContact CE3-CD1 3.69Å; W177-F230 HydrophobicContact CE3-CD1 3.69Å; W177-F230 AromaticContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CG 4.16Å; W177-F230 HydrophobicContact CE3-CZ 4.35Å; W177-F230 AromaticContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD2 4.08Å; W177-F230 AromaticContact CZ3-CE1 3.57Å; W177-F230 HydrophobicContact CZ3-CE1 3.57Å; W177-F230 AromaticContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CG 4.02Å; W177-F230 AromaticContact CZ3-CZ 3.65Å; W177-F230 HydrophobicContact CZ3-CZ 3.65Å; W177-P231 WeakPolarHBondContact O-CA 3.29Å; W177-L265 HydrophobicContact CH2-CD1 4.27Å; W177-L265 HydrophobicContact CZ2-CD1 3.98Å; W177-L265 HydrophobicContact CZ2-CD2 4.32Å | ||
| 178 | L | 88.2 | Confident | 89.6 | Confident | 105 Ų | 105 | 56.5 Ų | 56.5 | 55% | 0.55 | 29% | 0.29 | S | S | . | . | trans | -121.8 | 137.5 | 170.9 | -83.1 | 155.6 | 0 | 0 | 0 | 108 | D180 F230 P231 | L178-D180 PolarHBondContact O-N 2.92Å; L178-F230 HydrophobicContact CD2-CB 4.43Å; L178-P231 HydrophobicContact CG-CB 4.21Å | ||
| 179 | P | 88 | Confident | 89.4 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 14% | 0.143 | 30% | 0.295 | C | S | . | . | trans | -69 | 118.5 | -178.3 | 27.1 | -33.3 | 0 | 0 | 0 | 112 | W177 L181 P190 N227 F230 L265 | W177-P179 HydrophobicContact CH2-CB 3.73Å; W177-P179 HydrophobicContact CZ2-CB 4.05Å; W177-P179 HydrophobicContact CZ3-CB 4.26Å; P179-L181 HydrophobicContact CB-CD2 4.4Å; P179-L181 PolarHBondContact O-N 3.18Å; P179-P190 HydrophobicContact CB-CG 3.27Å; P179-P190 HydrophobicContact CG-CG 3.75Å; P179-N227 WeakPolarHBondContact CG-OD1 3.49Å; P179-F230 HydrophobicContact CG-CD2 4.43Å; P179-L265 HydrophobicContact CB-CD2 3.62Å | ||
| 180 | D | 88.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | trans | -86.2 | 100.3 | 169.9 | -174.3 | 15.6 | 0 | 0 | 0 | 109.7 | L178 L265 K266 | L178-D180 PolarHBondContact O-N 2.92Å; D180-L265 WeakPolarHBondContact O-CA 3.33Å; D180-K266 PolarHBondContact O-N 2.78Å; D180-K266 IonicContact OD1-NZ 2.75Å; D180-K266 PolarHBondContact OD1-NZ 2.82Å; D180-K266 WeakPolarHBondContact OD2-CD 3.25Å; D180-K266 IonicContact OD2-NZ 2.69Å; D180-K266 PolarHBondContact OD2-NZ 3.37Å | ||
| 181 | L | 90.1 | Very high | 89.2 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 135.2 | -175.4 | -58 | 175.4 | 0 | 0 | 0 | 111 | P179 P184 P188 G264 L265 K266 | P179-L181 HydrophobicContact CB-CD2 4.4Å; P179-L181 PolarHBondContact O-N 3.18Å; L181-P184 HydrophobicContact CB-CG 4.01Å; L181-P184 HydrophobicContact CD1-CB 4.29Å; L181-P184 HydrophobicContact CD1-CG 4.42Å; L181-P188 VanDerWaalsContact CD1-O 3.28Å; L181-P188 WeakPolarHBondContact CD1-O 3.38Å; L181-G264 WeakPolarHBondContact CA-O 3.48Å; L181-L265 HydrophobicContact CD2-CD2 4.26Å; L181-K266 WeakPolarHBondContact O-CE 3.49Å |
| 182 | E | 87.9 | Confident | 89.3 | Confident | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -72.8 | -57.6 | 174.4 | -173.6 | 176.5 | -169.6 | 0 | 0 | 110.5 | G264 K266 | E182-G264 PolarHBondContact N-O 3.38Å; E182-G264 VanDerWaalsContact N-O 3.1Å; E182-K266 HydrophobicContact CB-CG 4.01Å; E182-K266 HydrophobicContact CG-CG 4.42Å |
| 183 | D | 88.1 | Confident | 89.4 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | trans | -127.8 | 86.5 | -179.6 | -76.9 | -39.3 | 0 | 0 | 0 | 111.3 | K185 S186 I187 | D183-K185 PolarHBondContact O-N 3.46Å; D183-S186 VanDerWaalsContact CB-OG 3.27Å; D183-S186 WeakPolarHBondContact CB-OG 3.33Å; D183-S186 PolarHBondContact O-N 3.11Å; D183-S186 PolarHBondContact O-OG 2.98Å; D183-S186 VanDerWaalsContact O-OG 3.1Å; D183-I187 PolarHBondContact O-N 2.94Å; D183-I187 VanDerWaalsContact O-N 3.13Å | ||
| 184 | P | 85.6 | Confident | 89.6 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.2 | -179 | -23.7 | 31.2 | 0 | 0 | 0 | 114.5 | L181 | L181-P184 HydrophobicContact CB-CG 4.01Å; L181-P184 HydrophobicContact CD1-CB 4.29Å; L181-P184 HydrophobicContact CD1-CG 4.42Å |
| 185 | K | 86.8 | Confident | 89.9 | Confident | 209 Ų | 209 | 47.8 Ų | 47.8 | 91% | 0.909 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -34.1 | 178.5 | -67.1 | -176.2 | -179.3 | 178.4 | 0 | 113 | D183 | D183-K185 PolarHBondContact O-N 3.46Š|
| 186 | S | 87.7 | Confident | 90.1 | Very high | 33 Ų | 33 | 45 Ų | 45 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -45.1 | -177.9 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | D183 H214 | D183-S186 VanDerWaalsContact CB-OG 3.27Å; D183-S186 WeakPolarHBondContact CB-OG 3.33Å; D183-S186 PolarHBondContact O-N 3.11Å; D183-S186 PolarHBondContact O-OG 2.98Å; D183-S186 VanDerWaalsContact O-OG 3.1Å; S186-H214 PolarHBondContact O-NE2 2.85Å |
| 187 | I | 89.3 | Confident | 90.4 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | trans | -131.1 | 100.2 | -176.2 | -62.4 | 175.3 | 0 | 0 | 0 | 107.2 | D183 S189 A191 Y222 V263 | D183-I187 PolarHBondContact O-N 2.94Å; D183-I187 VanDerWaalsContact O-N 3.13Å; I187-S189 WeakPolarHBondContact CG2-O 3.31Å; I187-S189 PolarHBondContact O-N 3.28Å; I187-A191 HydrophobicContact CG2-CB 3.81Å; I187-Y222 HydrophobicContact CD1-CD2 4.38Å; I187-Y222 HydrophobicContact CD1-CE2 4.08Å; I187-V263 HydrophobicContact CD1-CG2 4.35Å | ||
| 188 | P | 88.4 | Confident | 90.6 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -78 | -6 | -171.7 | 30.5 | -35 | 0 | 0 | 0 | 113.8 | L181 I224 N227 | L181-P188 VanDerWaalsContact CD1-O 3.28Å; L181-P188 WeakPolarHBondContact CD1-O 3.38Å; P188-I224 HydrophobicContact CG-CD1 3.96Å; P188-N227 PolarHBondContact O-ND2 2.96Å |
| 189 | S | 90.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -155.9 | 161.2 | -179.3 | -49 | 0 | 0 | 0 | 0 | 109.6 | I187 A191 I225 N227 | I187-S189 WeakPolarHBondContact CG2-O 3.31Å; I187-S189 PolarHBondContact O-N 3.28Å; S189-A191 PolarHBondContact O-N 2.96Å; S189-I225 WeakPolarHBondContact CB-O 3.39Å; S189-N227 WeakPolarHBondContact CB-OD1 3.21Å; S189-N227 PolarHBondContact OG-ND2 2.92Å |
| 190 | P | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -48.7 | 132.4 | 177.4 | -27 | 34.4 | 0 | 0 | 0 | 111.1 | I171 W177 P179 I225 N227 L265 | I171-P190 HydrophobicContact CD1-CB 4.18Å; W177-P190 HydrophobicContact CH2-CG 4.03Å; P179-P190 HydrophobicContact CB-CG 3.27Å; P179-P190 HydrophobicContact CG-CG 3.75Å; P190-I225 WeakPolarHBondContact O-CB 3.31Å; P190-I225 PolarHBondContact O-N 3.21Å; P190-N227 WeakPolarHBondContact CD-OD1 3.44Å; P190-L265 HydrophobicContact CB-CD1 4.44Å; P190-L265 HydrophobicContact CG-CD2 4.17Å | ||
| 191 | A | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I187 S189 Y222 G223 L262 V263 | I187-A191 HydrophobicContact CG2-CB 3.81Å; S189-A191 PolarHBondContact O-N 2.96Å; A191-Y222 HydrophobicContact CB-CG 4.44Å; A191-G223 CarbonylContact C-O 3.57Å; A191-G223 VanDerWaalsContact CA-O 3.23Å; A191-G223 WeakPolarHBondContact CA-O 3.33Å; A191-L262 WeakPolarHBondContact O-CA 3.46Å; A191-V263 HydrophobicContact CB-CG2 3.92Å; A191-V263 PolarHBondContact N-O 3.09Å; A191-V263 VanDerWaalsContact N-O 3.16Å; A191-V263 WeakPolarHBondContact O-CG2 3.35Å; A191-V263 PolarHBondContact O-N 2.97Å |
| 192 | I | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.5 | 177.8 | -61.6 | 177.9 | 0 | 0 | 0 | 108.5 | I83 L169 G223 I225 V243 C260 R261 L262 | I83-I192 HydrophobicContact CD1-CD1 4.4Å; I83-I192 HydrophobicContact CD1-CG1 4.15Å; I83-I192 HydrophobicContact CD1-CG2 4.25Å; I83-I192 HydrophobicContact CG2-CD1 4.45Å; L169-I192 HydrophobicContact CB-CD1 3.94Å; L169-I192 HydrophobicContact CD1-CD1 4.41Å; L169-I192 HydrophobicContact CD1-CG2 3.76Å; I192-G223 PolarHBondContact N-O 3.5Å; I192-G223 PolarHBondContact O-N 3.43Å; I192-I225 HydrophobicContact CD1-CD1 3.78Å; I192-I225 HydrophobicContact CG1-CD1 4.12Å; I192-V243 HydrophobicContact CD1-CB 4.17Å; I192-V243 HydrophobicContact CD1-CG2 4.13Å; I192-C260 HydrophobicContact CG2-CB 4.21Å; I192-R261 WeakPolarHBondContact CA-O 3.41Å; I192-L262 HydrophobicContact CG1-CD2 3.95Å |
| 193 | E | 94.4 | Very high | 91.5 | Very high | 26 Ų | 26 | 60.6 Ų | 60.6 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.5 | 170.7 | -173.3 | -167.5 | 152.4 | 0 | 0 | 109.4 | K220 Y222 C260 R261 V263 | E193-K220 WeakPolarHBondContact OE1-CE 3.39Å; E193-K220 IonicContact OE1-NZ 4Å; E193-K220 PolarHBondContact OE1-NZ 3.44Å; E193-K220 WeakPolarHBondContact OE2-CE 3.42Å; E193-K220 IonicContact OE2-NZ 3.84Å; E193-K220 PolarHBondContact OE2-NZ 2.98Å; E193-Y222 HydrophobicContact CB-CD1 3.9Å; E193-Y222 HydrophobicContact CB-CE1 4.02Å; E193-Y222 HydrophobicContact CG-CD1 4.23Å; E193-Y222 HydrophobicContact CG-CE1 4.08Å; E193-C260 CarbonylContact O-C 3.58Å; E193-C260 VanDerWaalsContact O-CA 3.29Å; E193-C260 WeakPolarHBondContact O-CA 3.36Å; E193-R261 PolarHBondContact N-O 3.15Å; E193-R261 PolarHBondContact O-N 3.01Å; E193-R261 IonicContact OE1-CZ 2.84Å; E193-R261 IonicContact OE1-NH1 3.92Å; E193-R261 PolarHBondContact OE1-NH1 3.45Å; E193-R261 IonicContact OE2-NH1 3.97Å; E193-R261 PolarHBondContact OE2-NH1 3.49Å; E193-V263 HydrophobicContact CB-CG1 3.96Å; E193-V263 HydrophobicContact CB-CG2 4.25Å |
| 194 | C | 95.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 144.9 | 174.7 | -61 | 0 | 0 | 0 | 0 | 111.4 | V208 Y210 V245 V258 E259 C260 | C194-V208 HydrophobicContact CB-CG1 4.43Å; C194-Y210 HydrophobicContact CB-CE1 4.27Å; C194-Y210 PolarHBondContact N-OH 2.86Å; C194-Y210 PolarHBondContact O-OH 3.47Å; C194-V245 HydrophobicContact CB-CG1 4.12Å; C194-V258 HydrophobicContact CB-CG1 4.45Å; C194-E259 CarbonylContact C-O 3.59Å; C194-E259 VanDerWaalsContact CA-O 3.3Å; C194-E259 WeakPolarHBondContact CA-O 3.5Å; C194-C260 HydrophobicContact CB-CB 4.13Å; C194-C260 WeakPolarHBondContact CB-SG 3.4Å; C194-C260 WeakPolarHBondContact SG-CB 3.35Å; C194-C260 CovalentContact SG-SG 2.03Å; C194-C260 PolarHBondContact SG-SG 2.94Å |
| 195 | G | 94 | Very high | 92 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E259 | G195-E259 PolarHBondContact N-O 3.45Å; G195-E259 PolarHBondContact O-N 2.89Å |
| 196 | G | 93.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 145.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K202 L257 | G196-K202 WeakPolarHBondContact O-CE 3.38Å; G196-K202 WeakPolarHBondContact O-CG 3.29Å; G196-L257 WeakPolarHBondContact CA-O 3.45Å |
| 197 | T | 92.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -66.7 | -48.9 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.6 | L257 | T197-L257 PolarHBondContact N-O 3.42Å; T197-L257 VanDerWaalsContact N-O 3.08Å |
| 198 | N | 93.1 | Very high | 92.5 | Very high | 88 Ų | 88 | 48 Ų | 48 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -106.3 | 172.1 | 177.4 | -53.1 | -58.3 | 0 | 0 | 0 | 112 | F200 D201 K202 | N198-F200 VanDerWaalsContact C-N 3.32Å; N198-F200 PolarHBondContact O-N 3.15Å; N198-D201 WeakPolarHBondContact CB-OD2 3.48Å; N198-D201 PolarHBondContact N-OD2 3.01Å; N198-D201 VanDerWaalsContact N-OD2 3.16Å; N198-D201 PolarHBondContact ND2-OD2 3.19Å; N198-D201 PolarHBondContact O-N 3.36Å; N198-K202 WeakPolarHBondContact O-CG 3.11Å; N198-K202 PolarHBondContact O-N 3.39Å |
| 199 | E | 92.2 | Very high | 92.8 | Very high | 159 Ų | 159 | 50.4 Ų | 50.4 | 74% | 0.743 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.6 | -43.8 | 175.9 | -65.8 | -176.1 | 163.6 | 0 | 0 | 112.1 | D201 K202 E203 | E199-D201 VanDerWaalsContact C-N 3.34Å; E199-D201 PolarHBondContact O-N 2.92Å; E199-K202 WeakPolarHBondContact O-CB 3.33Å; E199-K202 PolarHBondContact O-N 3.36Å; E199-E203 PolarHBondContact O-N 2.93Å; E199-E203 VanDerWaalsContact O-N 3.15Å |
| 200 | F | 91.9 | Very high | 93 | Very high | 131 Ų | 131 | 50.2 Ų | 50.2 | 58% | 0.575 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.6 | -42.8 | 174.7 | -177.6 | -97 | 0 | 0 | 0 | 112.5 | N198 K202 E203 S204 | N198-F200 VanDerWaalsContact C-N 3.32Å; N198-F200 PolarHBondContact O-N 3.15Å; F200-K202 VanDerWaalsContact C-N 3.32Å; F200-K202 PolarHBondContact O-N 2.93Å; F200-E203 PolarHBondContact O-N 3.22Å; F200-S204 WeakPolarHBondContact CE1-OG 3.45Å; F200-S204 VanDerWaalsContact O-CB 3.24Å; F200-S204 WeakPolarHBondContact O-CB 3.48Å; F200-S204 PolarHBondContact O-N 2.93Å; F200-S204 PolarHBondContact O-OG 2.73Å |
| 201 | D | 93.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 178.7 | -62.9 | -59.3 | 0 | 0 | 0 | 111.6 | N198 E199 S204 L205 V256 L257 | N198-D201 WeakPolarHBondContact CB-OD2 3.48Å; N198-D201 PolarHBondContact N-OD2 3.01Å; N198-D201 VanDerWaalsContact N-OD2 3.16Å; N198-D201 PolarHBondContact ND2-OD2 3.19Å; N198-D201 PolarHBondContact O-N 3.36Å; E199-D201 VanDerWaalsContact C-N 3.34Å; E199-D201 PolarHBondContact O-N 2.92Å; D201-S204 PolarHBondContact O-N 3.46Å; D201-L205 WeakPolarHBondContact O-CB 3.44Å; D201-L205 PolarHBondContact O-N 3.45Å; D201-V256 HydrophobicContact CB-CG1 4.08Å; D201-L257 WeakPolarHBondContact CB-O 3.45Å; D201-L257 PolarHBondContact OD1-N 3.33Å |
| 202 | K | 92.3 | Very high | 93.3 | Very high | 118 Ų | 118 | 53.6 Ų | 53.6 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 177.2 | -72.1 | 170.3 | -172.7 | 171.8 | 0 | 111.6 | G196 N198 E199 F200 | G196-K202 WeakPolarHBondContact O-CE 3.38Å; G196-K202 WeakPolarHBondContact O-CG 3.29Å; N198-K202 WeakPolarHBondContact O-CG 3.11Å; N198-K202 PolarHBondContact O-N 3.39Å; E199-K202 WeakPolarHBondContact O-CB 3.33Å; E199-K202 PolarHBondContact O-N 3.36Å; F200-K202 VanDerWaalsContact C-N 3.32Å; F200-K202 PolarHBondContact O-N 2.93Å |
| 203 | E | 92.4 | Very high | 93.2 | Very high | 158 Ų | 158 | 57.1 Ų | 57.1 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.4 | -42.2 | 174.8 | -67.7 | -179.5 | 177.6 | 0 | 0 | 111.1 | E199 F200 L205 | E199-E203 PolarHBondContact O-N 2.93Å; E199-E203 VanDerWaalsContact O-N 3.15Å; F200-E203 PolarHBondContact O-N 3.22Å; E203-L205 PolarHBondContact O-N 2.86Å |
| 204 | S | 91.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.4 | -32.5 | -178.8 | -61.9 | 0 | 0 | 0 | 0 | 113.4 | F200 D201 I250 T251 | F200-S204 WeakPolarHBondContact CE1-OG 3.45Å; F200-S204 VanDerWaalsContact O-CB 3.24Å; F200-S204 WeakPolarHBondContact O-CB 3.48Å; F200-S204 PolarHBondContact O-N 2.93Å; F200-S204 PolarHBondContact O-OG 2.73Å; D201-S204 PolarHBondContact O-N 3.46Å; S204-I250 CarbonylContact O-C 3.56Å; S204-I250 VanDerWaalsContact O-CA 3.31Å; S204-I250 WeakPolarHBondContact O-CA 3.34Å; S204-T251 VanDerWaalsContact CB-OG1 3.27Å; S204-T251 WeakPolarHBondContact CB-OG1 3.2Å; S204-T251 PolarHBondContact O-N 3.38Å; S204-T251 PolarHBondContact O-OG1 3.26Å |
| 205 | L | 92 | Very high | 93.1 | Very high | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.5 | -33 | -179 | -170.1 | 61 | 0 | 0 | 0 | 112.9 | D201 E203 V208 L247 I250 V256 V258 | D201-L205 WeakPolarHBondContact O-CB 3.44Å; D201-L205 PolarHBondContact O-N 3.45Å; E203-L205 PolarHBondContact O-N 2.86Å; L205-V208 HydrophobicContact CD2-CG2 3.65Å; L205-V208 HydrophobicContact CG-CG2 3.94Å; L205-L247 HydrophobicContact CD1-CD1 3.64Å; L205-L247 HydrophobicContact CD1-CD2 3.51Å; L205-L247 HydrophobicContact CD1-CG 4.11Å; L205-L247 HydrophobicContact CD2-CD2 4.5Å; L205-L247 HydrophobicContact CG-CD2 4.08Å; L205-I250 HydrophobicContact CD1-CD1 4.38Å; L205-V256 HydrophobicContact CB-CG1 4.28Å; L205-V256 HydrophobicContact CD1-CG1 4.36Å; L205-V258 HydrophobicContact CD1-CG2 3.42Å; L205-V258 VanDerWaalsContact CD1-CG2 3.42Å; L205-V258 HydrophobicContact CD2-CG1 4.25Å; L205-V258 HydrophobicContact CD2-CG2 4.21Å; L205-V258 HydrophobicContact CG-CG2 4.43Å |
| 206 | G | 88.5 | Confident | 92.9 | Very high | 34 Ų | 34 | 61.8 Ų | 61.8 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | trans | 65.7 | -143.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 207 | I | 91.3 | Very high | 92.7 | Very high | 100 Ų | 100 | 67 Ų | 67 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | trans | -82.9 | 120.3 | -174.9 | -57.3 | 171.6 | 0 | 0 | 0 | 110.3 | S248 | I207-S248 PolarHBondContact O-N 3.41Š| ||
| 208 | V | 94 | Very high | 92.4 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.4 | 174.2 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | C194 L205 Y210 V245 L247 | C194-V208 HydrophobicContact CB-CG1 4.43Å; L205-V208 HydrophobicContact CD2-CG2 3.65Å; L205-V208 HydrophobicContact CG-CG2 3.94Å; V208-Y210 HydrophobicContact CG1-CE1 3.95Å; V208-Y210 HydrophobicContact CG1-CE2 4.03Å; V208-V245 HydrophobicContact CG1-CG1 3.38Å; V208-L247 HydrophobicContact CG1-CD2 4.28Å; V208-L247 HydrophobicContact CG2-CD2 3.95Å |
| 209 | R | 95.1 | Very high | 92.2 | Very high | 106 Ų | 106 | 67.6 Ų | 67.6 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151.2 | 171.6 | -68.4 | -176.6 | 175.1 | -169.6 | -1.3 | 110.3 | F211 V245 Q246 | R209-F211 HydrophobicContact CB-CE2 4.44Å; R209-V245 CarbonylContact O-C 3.59Å; R209-V245 WeakPolarHBondContact O-CA 3.43Å; R209-Q246 HydrophobicContact CB-CB 4.25Å; R209-Q246 PolarHBondContact N-O 3.45Å; R209-Q246 PolarHBondContact O-N 3.09Å |
| 210 | Y | 96 | Very high | 92.2 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150 | -178.6 | -57.1 | -85.3 | 0 | 0 | 0 | 111 | C194 V208 E213 K221 G223 A244 V245 | C194-Y210 HydrophobicContact CB-CE1 4.27Å; C194-Y210 PolarHBondContact N-OH 2.86Å; C194-Y210 PolarHBondContact O-OH 3.47Å; V208-Y210 HydrophobicContact CG1-CE1 3.95Å; V208-Y210 HydrophobicContact CG1-CE2 4.03Å; Y210-E213 WeakPolarHBondContact O-CB 3.43Å; Y210-E213 PolarHBondContact O-N 3.4Å; Y210-K221 HydrophobicContact CD2-CB 4.18Å; Y210-K221 HydrophobicContact CE2-CB 4.32Å; Y210-K221 VanDerWaalsContact CE2-O 3.31Å; Y210-K221 WeakPolarHBondContact CE2-O 3.3Å; Y210-G223 VanDerWaalsContact CG-N 3.34Å; Y210-A244 CarbonylContact C-O 3.55Å; Y210-A244 WeakPolarHBondContact CA-O 3.32Å; Y210-V245 HydrophobicContact CD1-CG1 4.38Å; Y210-V245 HydrophobicContact CD1-CG2 3.93Å; Y210-V245 HydrophobicContact CE1-CG1 4.1Å; Y210-V245 HydrophobicContact CE1-CG2 4.03Å |
| 211 | F | 95.6 | Very high | 92.3 | Very high | 37 Ų | 37 | 61.6 Ų | 61.6 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 114.1 | 172.3 | -58.2 | -85.1 | 0 | 0 | 0 | 109.1 | L150 E152 R209 A244 Q246 | L150-F211 WeakPolarHBondContact O-CB 3.49Å; L150-F211 WeakPolarHBondContact O-CG 3.43Å; E152-F211 HydrophobicContact CB-CZ 4.31Å; E152-F211 HydrophobicContact CG-CZ 4.47Å; R209-F211 HydrophobicContact CB-CE2 4.44Å; F211-A244 HydrophobicContact CB-CB 4.25Å; F211-A244 PolarHBondContact N-O 3.2Å; F211-A244 PolarHBondContact O-N 2.85Å; F211-Q246 HydrophobicContact CD2-CB 4.34Å; F211-Q246 HydrophobicContact CE2-CB 3.75Å; F211-Q246 HydrophobicContact CE2-CG 4.41Å |
| 212 | P | 94.8 | Very high | 92.4 | Very high | 35 Ų | 35 | 62 Ų | 62 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | S | Bend | cis | -73.4 | 142.3 | -2.9 | 30 | -30.9 | 0 | 0 | 0 | 112.5 | V149 G223 I224 | V149-P212 HydrophobicContact CG1-CB 3.67Å; V149-P212 HydrophobicContact CG1-CG 3.67Å; P212-G223 WeakPolarHBondContact O-CA 3.33Å; P212-I224 HydrophobicContact CB-CG2 4.09Å; P212-I224 HydrophobicContact CG-CG2 3.77Å; P212-I224 VanDerWaalsContact CG-O 3.25Å; P212-I224 WeakPolarHBondContact CG-O 3.47Å; P212-I224 PolarHBondContact O-N 3.34Å; P212-I224 VanDerWaalsContact O-N 3.16Å |
| 213 | E | 93.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.4 | 178.5 | -165.7 | 174.1 | 90.9 | 0 | 0 | 111.1 | Y210 K221 | Y210-E213 WeakPolarHBondContact O-CB 3.43Å; Y210-E213 PolarHBondContact O-N 3.4Å; E213-K221 HydrophobicContact CG-CB 4.25Å; E213-K221 HydrophobicContact CG-CG 4.23Å; E213-K221 IonicContact OE1-NZ 2.87Å; E213-K221 PolarHBondContact OE1-NZ 2.86Å; E213-K221 WeakPolarHBondContact OE2-CD 3.36Å; E213-K221 IonicContact OE2-NZ 3.41Å; E213-K221 PolarHBondContact OE2-NZ 2.89Å |
| 214 | H | 93.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.6 | 165.8 | -179.8 | 70.7 | 0 | 0 | 0 | 109.8 | S186 K221 Y222 I224 | S186-H214 PolarHBondContact O-NE2 2.85Å; H214-K221 CarbonylContact O-C 3.51Å; H214-K221 WeakPolarHBondContact O-CA 3.42Å; H214-Y222 PolarHBondContact N-O 2.86Å; H214-Y222 PolarHBondContact O-N 2.97Å; H214-I224 HydrophobicContact CB-CB 3.79Å; H214-I224 HydrophobicContact CB-CD1 4.12Å; H214-I224 HydrophobicContact CB-CG2 4.02Å |
| 215 | I | 93 | Very high | 92.6 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.3 | 177.2 | -53.8 | 177.1 | 0 | 0 | 0 | 107.2 | K221 | I215-K221 HydrophobicContact CG1-CG 4.19Å |
| 216 | A | 90.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -72.1 | 162.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N218 G219 K220 Y222 | A216-N218 VanDerWaalsContact CB-OD1 3.31Å; A216-N218 WeakPolarHBondContact CB-OD1 3.5Å; A216-N218 PolarHBondContact O-N 3.43Å; A216-G219 PolarHBondContact O-N 2.88Å; A216-K220 PolarHBondContact N-O 3.3Å; A216-Y222 HydrophobicContact CB-CD2 3.99Å; A216-Y222 HydrophobicContact CB-CE2 3.54Å | ||
| 217 | P | 89.1 | Confident | 92.4 | Very high | 110 Ų | 110 | 52 Ų | 52 | 71% | 0.714 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20.8 | -179.6 | -27 | 35.2 | 0 | 0 | 0 | 115.1 | G219 | P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.25Å |
| 218 | N | 87.2 | Confident | 92.1 | Very high | 112 Ų | 112 | 48.8 Ų | 48.8 | 60% | 0.599 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.4 | 175 | 66.2 | -2.6 | 0 | 0 | 0 | 114 | A216 K220 | A216-N218 VanDerWaalsContact CB-OD1 3.31Å; A216-N218 WeakPolarHBondContact CB-OD1 3.5Å; A216-N218 PolarHBondContact O-N 3.43Å; N218-K220 VanDerWaalsContact C-N 3.27Å; N218-K220 PolarHBondContact O-N 3.33Å; N218-K220 WeakPolarHBondContact OD1-CB 3.23Å; N218-K220 PolarHBondContact OD1-N 3.49Å |
| 219 | G | 89.3 | Confident | 91.8 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 56% | 0.557 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 80.4 | -1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A216 P217 | A216-G219 PolarHBondContact O-N 2.88Å; P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.25Å |
| 220 | K | 91.7 | Very high | 91.4 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 35% | 0.348 | 25% | 0.246 | S | C | . | . | trans | -79.8 | 137.8 | 178.5 | -168.8 | 164.1 | 168.7 | -166.5 | 0 | 110.7 | E193 A216 N218 Y222 | E193-K220 WeakPolarHBondContact OE1-CE 3.39Å; E193-K220 IonicContact OE1-NZ 4Å; E193-K220 PolarHBondContact OE1-NZ 3.44Å; E193-K220 WeakPolarHBondContact OE2-CE 3.42Å; E193-K220 IonicContact OE2-NZ 3.84Å; E193-K220 PolarHBondContact OE2-NZ 2.98Å; A216-K220 PolarHBondContact N-O 3.3Å; N218-K220 VanDerWaalsContact C-N 3.27Å; N218-K220 PolarHBondContact O-N 3.33Å; N218-K220 WeakPolarHBondContact OD1-CB 3.23Å; N218-K220 PolarHBondContact OD1-N 3.49Å; K220-Y222 HydrophobicContact CB-CE2 3.96Å; K220-Y222 HydrophobicContact CD-CE1 4.04Å; K220-Y222 WeakPolarHBondContact CD-OH 3.4Å; K220-Y222 HydrophobicContact CG-CE1 4.06Å; K220-Y222 HydrophobicContact CG-CE2 4.05Å | ||
| 221 | K | 93.6 | Very high | 91.1 | Very high | 83 Ų | 83 | 45 Ų | 45 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138.5 | -179.8 | -68.5 | 162.7 | 170.6 | -107.2 | 0 | 110.3 | Y210 E213 H214 I215 | Y210-K221 HydrophobicContact CD2-CB 4.18Å; Y210-K221 HydrophobicContact CE2-CB 4.32Å; Y210-K221 VanDerWaalsContact CE2-O 3.31Å; Y210-K221 WeakPolarHBondContact CE2-O 3.3Å; E213-K221 HydrophobicContact CG-CB 4.25Å; E213-K221 HydrophobicContact CG-CG 4.23Å; E213-K221 IonicContact OE1-NZ 2.87Å; E213-K221 PolarHBondContact OE1-NZ 2.86Å; E213-K221 WeakPolarHBondContact OE2-CD 3.36Å; E213-K221 IonicContact OE2-NZ 3.41Å; E213-K221 PolarHBondContact OE2-NZ 2.89Å; H214-K221 CarbonylContact O-C 3.51Å; H214-K221 WeakPolarHBondContact O-CA 3.42Å; I215-K221 HydrophobicContact CG1-CG 4.19Å |
| 222 | Y | 94.6 | Very high | 90.7 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.1 | 177.6 | -56.7 | -78.6 | 0 | 0 | 0 | 110.9 | I187 A191 E193 H214 A216 K220 V263 | I187-Y222 HydrophobicContact CD1-CD2 4.38Å; I187-Y222 HydrophobicContact CD1-CE2 4.08Å; A191-Y222 HydrophobicContact CB-CG 4.44Å; E193-Y222 HydrophobicContact CB-CD1 3.9Å; E193-Y222 HydrophobicContact CB-CE1 4.02Å; E193-Y222 HydrophobicContact CG-CD1 4.23Å; E193-Y222 HydrophobicContact CG-CE1 4.08Å; H214-Y222 PolarHBondContact N-O 2.86Å; H214-Y222 PolarHBondContact O-N 2.97Å; A216-Y222 HydrophobicContact CB-CD2 3.99Å; A216-Y222 HydrophobicContact CB-CE2 3.54Å; K220-Y222 HydrophobicContact CB-CE2 3.96Å; K220-Y222 HydrophobicContact CD-CE1 4.04Å; K220-Y222 WeakPolarHBondContact CD-OH 3.4Å; K220-Y222 HydrophobicContact CG-CE1 4.06Å; K220-Y222 HydrophobicContact CG-CE2 4.05Å; Y222-V263 HydrophobicContact CD1-CG2 3.69Å; Y222-V263 HydrophobicContact CE1-CG2 3.8Å; Y222-V263 HydrophobicContact CG-CG2 4.45Å |
| 223 | G | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 112 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A191 I192 Y210 P212 | A191-G223 CarbonylContact C-O 3.57Å; A191-G223 VanDerWaalsContact CA-O 3.23Å; A191-G223 WeakPolarHBondContact CA-O 3.33Å; I192-G223 PolarHBondContact N-O 3.5Å; I192-G223 PolarHBondContact O-N 3.43Å; Y210-G223 VanDerWaalsContact CG-N 3.34Å; P212-G223 WeakPolarHBondContact O-CA 3.33Å |
| 224 | I | 93.2 | Very high | 90.1 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.9 | -175 | -168.3 | 166 | 0 | 0 | 0 | 111.9 | P188 P212 H214 | P188-I224 HydrophobicContact CG-CD1 3.96Å; P212-I224 HydrophobicContact CB-CG2 4.09Å; P212-I224 HydrophobicContact CG-CG2 3.77Å; P212-I224 VanDerWaalsContact CG-O 3.25Å; P212-I224 WeakPolarHBondContact CG-O 3.47Å; P212-I224 PolarHBondContact O-N 3.34Å; P212-I224 VanDerWaalsContact O-N 3.16Å; H214-I224 HydrophobicContact CB-CB 3.79Å; H214-I224 HydrophobicContact CB-CD1 4.12Å; H214-I224 HydrophobicContact CB-CG2 4.02Å |
| 225 | I | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -115.1 | 118.8 | 173.6 | -66 | 170.5 | 0 | 0 | 0 | 108 | I171 S189 P190 I192 N227 F230 P241 V243 | I171-I225 HydrophobicContact CD1-CD1 3.34Å; I171-I225 HydrophobicContact CG1-CD1 3.56Å; S189-I225 WeakPolarHBondContact CB-O 3.39Å; P190-I225 WeakPolarHBondContact O-CB 3.31Å; P190-I225 PolarHBondContact O-N 3.21Å; I192-I225 HydrophobicContact CD1-CD1 3.78Å; I192-I225 HydrophobicContact CG1-CD1 4.12Å; I225-N227 PolarHBondContact O-N 3.01Å; I225-F230 HydrophobicContact CG2-CE2 3.73Å; I225-F230 HydrophobicContact CG2-CZ 4.03Å; I225-P241 HydrophobicContact CG2-CB 3.75Å; I225-P241 HydrophobicContact CG2-CG 3.39Å; I225-V243 HydrophobicContact CD1-CG2 3.83Å; I225-V243 HydrophobicContact CG1-CG2 3.34Å | ||
| 226 | S | 89.1 | Confident | 89.2 | Confident | 46 Ų | 46 | 50 Ų | 50 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | trans | -61.4 | 138 | -179.4 | 179.3 | 0 | 0 | 0 | 0 | 112 | N228 | S226-N228 PolarHBondContact O-N 3.15Å; S226-N228 VanDerWaalsContact OG-CG 3.23Å; S226-N228 PolarHBondContact OG-N 3.36Å; S226-N228 PolarHBondContact OG-OD1 3.02Å | ||
| 227 | N | 87.7 | Confident | 89 | Confident | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.16 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -65.4 | -14.5 | 175 | -69.7 | -22.6 | 0 | 0 | 0 | 113.3 | P132 P179 P188 S189 P190 I225 Y229 F230 | P132-N227 HydrophobicContact CB-CB 3.64Å; P179-N227 WeakPolarHBondContact CG-OD1 3.49Å; P188-N227 PolarHBondContact O-ND2 2.96Å; S189-N227 WeakPolarHBondContact CB-OD1 3.21Å; S189-N227 PolarHBondContact OG-ND2 2.92Å; P190-N227 WeakPolarHBondContact CD-OD1 3.44Å; I225-N227 PolarHBondContact O-N 3.01Å; N227-Y229 PolarHBondContact O-N 3.17Å; N227-F230 PolarHBondContact O-N 2.81Å |
| 228 | N | 85 | Confident | 89 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -62.7 | -23.9 | -178.2 | -57.9 | 9.5 | 0 | 0 | 0 | 113.1 | C129 G131 P132 C143 S226 F230 | C129-N228 HydrophobicContact CB-CB 4.19Å; C129-N228 PolarHBondContact O-ND2 2.97Å; G131-N228 WeakPolarHBondContact O-CB 3.23Å; G131-N228 PolarHBondContact O-OD1 2.67Å; P132-N228 WeakPolarHBondContact CA-OD1 3.3Å; C143-N228 PolarHBondContact SG-O 2.79Å; S226-N228 PolarHBondContact O-N 3.15Å; S226-N228 VanDerWaalsContact OG-CG 3.23Å; S226-N228 PolarHBondContact OG-N 3.36Å; S226-N228 PolarHBondContact OG-OD1 3.02Å; N228-F230 VanDerWaalsContact C-N 3.32Å |
| 229 | Y | 87.7 | Confident | 89.2 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 13% | 0.129 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -84.7 | -6.6 | -178.7 | -60.5 | -84.1 | 0 | 0 | 0 | 113.2 | C143 S144 F145 N227 Y238 P241 | C143-Y229 HydrophobicContact CB-CD1 3.84Å; C143-Y229 HydrophobicContact CB-CE1 3.88Å; S144-Y229 PolarHBondContact O-OH 2.87Å; F145-Y229 WeakPolarHBondContact CA-OH 3.16Å; F145-Y229 HydrophobicContact CB-CE1 3.88Å; F145-Y229 AromaticContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE1 3.99Å; F145-Y229 HydrophobicContact CD2-CE2 4.15Å; F145-Y229 AromaticContact CD2-CZ 3.6Å; F145-Y229 WeakPolarHBondContact CD2-OH 3.39Å; F145-Y229 HydrophobicContact CG-CE1 4.46Å; N227-Y229 PolarHBondContact O-N 3.17Å; Y229-Y238 VanDerWaalsContact O-CE2 3.32Å; Y229-Y238 WeakPolarHBondContact O-CE2 3.5Å; Y229-Y238 PolarHBondContact O-OH 2.82Å; Y229-P241 HydrophobicContact CD2-CB 3.72Å; Y229-P241 HydrophobicContact CD2-CG 4.1Å; Y229-P241 HydrophobicContact CE2-CB 4.11Å; Y229-P241 HydrophobicContact CG-CB 3.95Å; Y229-P241 HydrophobicContact CG-CG 4.01Å |
| 230 | F | 88 | Confident | 89.3 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | trans | -111.4 | 145.6 | -178.3 | -56.5 | -66.9 | 0 | 0 | 0 | 110.8 | G133 I171 W177 L178 P179 I225 N227 N228 P241 | G133-F230 WeakPolarHBondContact CA-O 3.23Å; I171-F230 HydrophobicContact CD1-CZ 4.38Å; W177-F230 AromaticContact CE3-CD1 3.69Å; W177-F230 HydrophobicContact CE3-CD1 3.69Å; W177-F230 AromaticContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CE1 3.8Å; W177-F230 HydrophobicContact CE3-CG 4.16Å; W177-F230 HydrophobicContact CE3-CZ 4.35Å; W177-F230 AromaticContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD1 3.76Å; W177-F230 HydrophobicContact CZ3-CD2 4.08Å; W177-F230 AromaticContact CZ3-CE1 3.57Å; W177-F230 HydrophobicContact CZ3-CE1 3.57Å; W177-F230 AromaticContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CE2 3.89Å; W177-F230 HydrophobicContact CZ3-CG 4.02Å; W177-F230 AromaticContact CZ3-CZ 3.65Å; W177-F230 HydrophobicContact CZ3-CZ 3.65Å; L178-F230 HydrophobicContact CD2-CB 4.43Å; P179-F230 HydrophobicContact CG-CD2 4.43Å; I225-F230 HydrophobicContact CG2-CE2 3.73Å; I225-F230 HydrophobicContact CG2-CZ 4.03Å; N227-F230 PolarHBondContact O-N 2.81Å; N228-F230 VanDerWaalsContact C-N 3.32Å; F230-P241 HydrophobicContact CZ-CG 4.18Å | ||
| 231 | P | 88.9 | Confident | 89.4 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | cis | -85.3 | 155.8 | 5.4 | 32.4 | -33.2 | 0 | 0 | 0 | 114.5 | L134 W177 L178 L233 | L134-P231 HydrophobicContact CD1-CG 4.31Å; L134-P231 HydrophobicContact CG-CG 4.25Å; W177-P231 WeakPolarHBondContact O-CA 3.29Å; L178-P231 HydrophobicContact CG-CB 4.21Å; P231-L233 HydrophobicContact CB-CD2 4.22Å; P231-L233 HydrophobicContact CG-CD1 4.44Å; P231-L233 HydrophobicContact CG-CD2 4.13Å; P231-L233 HydrophobicContact CG-CG 4.13Å; P231-L233 PolarHBondContact O-N 3.37Å | ||
| 232 | Y | 88.1 | Confident | 89.4 | Confident | 45 Ų | 45 | 35.3 Ų | 35.3 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -80.5 | 113.7 | 169 | 174.6 | -111.9 | 0 | 0 | 0 | 110.7 | R173 Y175 G176 Y238 | R173-Y232 HydrophobicContact CB-CD1 3.93Å; R173-Y232 HydrophobicContact CB-CE1 4.09Å; R173-Y232 HydrophobicContact CB-CG 4.22Å; Y175-Y232 CarbonylContact C-O 3.5Å; Y175-Y232 WeakPolarHBondContact CA-O 3.27Å; G176-Y232 PolarHBondContact N-O 2.96Å; Y232-Y238 AromaticContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD2 4.02Å; Y232-Y238 AromaticContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE2 4.31Å; Y232-Y238 AromaticContact CD2-CG 3.62Å; Y232-Y238 HydrophobicContact CD2-CG 3.62Å; Y232-Y238 AromaticContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CE1 4.45Å; Y232-Y238 AromaticContact CE2-CG 3.8Å; Y232-Y238 HydrophobicContact CE2-CG 3.8Å |
| 233 | L | 87.9 | Confident | 89.5 | Confident | 51 Ų | 51 | 34.5 Ų | 34.5 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | trans | -113.4 | 33.3 | -178.5 | -59.4 | -173.1 | 0 | 0 | 0 | 113.6 | L134 Y175 P231 M235 | L134-L233 HydrophobicContact CD1-CD1 4.15Å; L134-L233 HydrophobicContact CD2-CD1 3.5Å; L134-L233 VanDerWaalsContact CD2-CD1 3.5Å; L134-L233 HydrophobicContact CD2-CG 4.4Å; L134-L233 HydrophobicContact CG-CD1 4.35Å; Y175-L233 HydrophobicContact CE1-CD2 4.37Å; P231-L233 HydrophobicContact CB-CD2 4.22Å; P231-L233 HydrophobicContact CG-CD1 4.44Å; P231-L233 HydrophobicContact CG-CD2 4.13Å; P231-L233 HydrophobicContact CG-CG 4.13Å; P231-L233 PolarHBondContact O-N 3.37Å; L233-M235 PolarHBondContact O-N 3.27Å | ||
| 234 | R | 86.4 | Confident | 89.6 | Confident | 139 Ų | 139 | 34.5 Ų | 34.5 | 53% | 0.525 | 17% | 0.171 | S | C | . | . | trans | 58.4 | 36.4 | -177.8 | -161.7 | -151.9 | -179.4 | -171.8 | 9.4 | 113.1 | K65 Y175 | K65-R234 VanDerWaalsContact O-CZ 3.28Å; K65-R234 PolarHBondContact O-NH1 2.86Å; Y175-R234 HydrophobicContact CD2-CB 4.32Å; Y175-R234 HydrophobicContact CE2-CB 4.11Å | ||
| 235 | M | 84.3 | Confident | 89.7 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 11% | 0.108 | 16% | 0.164 | C | C | . | . | trans | -67.3 | 136 | 174.1 | -61.9 | 170.7 | -83 | 0 | 0 | 110.2 | D140 P142 L233 Y238 | D140-M235 WeakPolarHBondContact O-CG 2.74Å; P142-M235 HydrophobicContact CB-CB 4.03Å; P142-M235 HydrophobicContact CB-SD 4.04Å; P142-M235 HydrophobicContact CG-CB 4.33Å; L233-M235 PolarHBondContact O-N 3.27Å; M235-Y238 HydrophobicContact CE-CD2 3.74Å; M235-Y238 HydrophobicContact CE-CE2 4.11Å; M235-Y238 WeakPolarHBondContact O-CB 3.29Å; M235-Y238 PolarHBondContact O-N 3.31Å | ||
| 236 | N | 84.7 | Confident | 89.8 | Confident | 135 Ų | 135 | 33 Ų | 33 | 72% | 0.722 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 140.7 | 175 | -71.5 | -29 | 0 | 0 | 0 | 109.7 | P142 Y238 | P142-N236 WeakPolarHBondContact CG-O 3.4Å; N236-Y238 PolarHBondContact O-N 3.35Å |
| 237 | N | 86.1 | Confident | 90.1 | Very high | 108 Ų | 108 | 30.8 Ų | 30.8 | 58% | 0.578 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 24.6 | -177.9 | -58.7 | -28.6 | 0 | 0 | 0 | 115.3 | N126 Q239 | N126-N237 PolarHBondContact ND2-O 2.97Å; N126-N237 VanDerWaalsContact ND2-O 3.14Å; N237-Q239 PolarHBondContact O-N 2.93Å |
| 238 | Y | 89 | Confident | 90.2 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 5% | 0.051 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 122.1 | 172.1 | 176.8 | -98.2 | 0 | 0 | 0 | 111.9 | P142 R173 Y229 Y232 M235 N236 A240 | P142-Y238 HydrophobicContact CB-CD2 3.97Å; R173-Y238 HydrophobicContact CG-CD1 4.43Å; R173-Y238 HydrophobicContact CG-CE1 4.12Å; R173-Y238 PolarHBondContact NH2-O 3.35Å; Y229-Y238 VanDerWaalsContact O-CE2 3.32Å; Y229-Y238 WeakPolarHBondContact O-CE2 3.5Å; Y229-Y238 PolarHBondContact O-OH 2.82Å; Y232-Y238 AromaticContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD1 3.52Å; Y232-Y238 HydrophobicContact CD2-CD2 4.02Å; Y232-Y238 AromaticContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE1 3.84Å; Y232-Y238 HydrophobicContact CD2-CE2 4.31Å; Y232-Y238 AromaticContact CD2-CG 3.62Å; Y232-Y238 HydrophobicContact CD2-CG 3.62Å; Y232-Y238 AromaticContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CD1 3.73Å; Y232-Y238 HydrophobicContact CE2-CE1 4.45Å; Y232-Y238 AromaticContact CE2-CG 3.8Å; Y232-Y238 HydrophobicContact CE2-CG 3.8Å; M235-Y238 HydrophobicContact CE-CD2 3.74Å; M235-Y238 HydrophobicContact CE-CE2 4.11Å; M235-Y238 WeakPolarHBondContact O-CB 3.29Å; M235-Y238 PolarHBondContact O-N 3.31Å; N236-Y238 PolarHBondContact O-N 3.35Å; Y238-A240 HydrophobicContact CE1-CB 4.08Å |
| 239 | Q | 89.9 | Confident | 90.4 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -94.9 | 116.2 | 176.9 | -74.7 | 177.9 | -5.2 | 0 | 0 | 108.8 | Y120 N126 F145 N237 | Y120-Q239 HydrophobicContact CD1-CB 3.71Å; Y120-Q239 HydrophobicContact CD1-CG 3.72Å; Y120-Q239 HydrophobicContact CE1-CB 3.63Å; Y120-Q239 HydrophobicContact CE1-CG 4.03Å; Y120-Q239 PolarHBondContact O-NE2 3.23Å; Y120-Q239 VanDerWaalsContact O-NE2 3.11Å; N126-Q239 PolarHBondContact ND2-NE2 2.86Å; F145-Q239 HydrophobicContact CB-CB 4.08Å; N237-Q239 PolarHBondContact O-N 2.93Å |
| 240 | A | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 136.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y120 Y238 L242 | Y120-A240 WeakPolarHBondContact CE1-O 3.37Å; Y120-A240 PolarHBondContact OH-O 3.29Å; Y238-A240 HydrophobicContact CE1-CB 4.08Å; A240-L242 PolarHBondContact O-N 3.25Å |
| 241 | P | 93.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 133.8 | 179.7 | 26.8 | -34.3 | 0 | 0 | 0 | 110.5 | F145 I225 Y229 F230 | F145-P241 HydrophobicContact CD2-CB 4.09Å; F145-P241 HydrophobicContact CE2-CB 4.08Å; I225-P241 HydrophobicContact CG2-CB 3.75Å; I225-P241 HydrophobicContact CG2-CG 3.39Å; Y229-P241 HydrophobicContact CD2-CB 3.72Å; Y229-P241 HydrophobicContact CD2-CG 4.1Å; Y229-P241 HydrophobicContact CE2-CB 4.11Å; Y229-P241 HydrophobicContact CG-CB 3.95Å; Y229-P241 HydrophobicContact CG-CG 4.01Å; F230-P241 HydrophobicContact CZ-CG 4.18Å |
| 242 | L | 95.1 | Very high | 91 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 147.2 | 177.5 | -59.9 | -178.9 | 0 | 0 | 0 | 110.4 | A86 L116 F117 Y120 F145 L147 L150 K170 A240 | A86-L242 HydrophobicContact CB-CD2 4.18Å; L116-L242 HydrophobicContact CD2-CD1 4.12Å; L116-L242 HydrophobicContact CD2-CD2 4.49Å; L116-L242 HydrophobicContact CG-CD1 4.39Å; F117-L242 HydrophobicContact CE1-CD1 4.39Å; Y120-L242 HydrophobicContact CD2-CD1 4.19Å; Y120-L242 HydrophobicContact CE1-CD1 4.49Å; Y120-L242 HydrophobicContact CE1-CG 4.36Å; Y120-L242 HydrophobicContact CE2-CD1 3.72Å; Y120-L242 HydrophobicContact CE2-CD2 4.38Å; Y120-L242 HydrophobicContact CE2-CG 4.19Å; Y120-L242 WeakPolarHBondContact OH-CD2 3.19Å; F145-L242 HydrophobicContact CE1-CB 3.81Å; F145-L242 HydrophobicContact CE1-CD1 4.3Å; F145-L242 HydrophobicContact CE1-CG 4.12Å; F145-L242 HydrophobicContact CZ-CB 3.75Å; F145-L242 HydrophobicContact CZ-CG 4.48Å; F145-L242 VanDerWaalsContact CZ-O 3.31Å; F145-L242 WeakPolarHBondContact CZ-O 3.21Å; L147-L242 HydrophobicContact CD2-CD1 4.39Å; L150-L242 HydrophobicContact CD1-CD1 4.37Å; L150-L242 HydrophobicContact CD2-CB 4.11Å; K170-L242 HydrophobicContact CB-CD2 3.83Å; K170-L242 HydrophobicContact CD-CD2 4.38Å; A240-L242 PolarHBondContact O-N 3.25Å |
| 243 | V | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.3 | 166.3 | 176 | 0 | 0 | 0 | 0 | 107.4 | L169 I192 I225 | L169-V243 PolarHBondContact N-O 2.75Å; L169-V243 PolarHBondContact O-N 3.46Å; I192-V243 HydrophobicContact CD1-CB 4.17Å; I192-V243 HydrophobicContact CD1-CG2 4.13Å; I225-V243 HydrophobicContact CD1-CG2 3.83Å; I225-V243 HydrophobicContact CG1-CG2 3.34Å |
| 244 | A | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L150 C153 L167 Y168 Y210 F211 | L150-A244 HydrophobicContact CB-CB 4.44Å; L150-A244 HydrophobicContact CD2-CB 4.01Å; C153-A244 HydrophobicContact CB-CB 3.52Å; L167-A244 CarbonylContact O-C 3.47Å; L167-A244 VanDerWaalsContact O-CA 3.29Å; L167-A244 WeakPolarHBondContact O-CA 3.36Å; Y168-A244 HydrophobicContact CD1-CB 3.97Å; Y168-A244 HydrophobicContact CE1-CB 3.97Å; Y210-A244 CarbonylContact C-O 3.55Å; Y210-A244 WeakPolarHBondContact CA-O 3.32Å; F211-A244 HydrophobicContact CB-CB 4.25Å; F211-A244 PolarHBondContact N-O 3.2Å; F211-A244 PolarHBondContact O-N 2.85Å |
| 245 | V | 96 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.6 | 175.5 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | C166 L167 L169 C194 V208 R209 Y210 L247 | C166-V245 CarbonylContact C-O 3.55Å; C166-V245 WeakPolarHBondContact CA-O 3.26Å; L167-V245 HydrophobicContact CB-CB 4.27Å; L167-V245 PolarHBondContact N-O 3.43Å; L167-V245 PolarHBondContact O-N 3.44Å; L169-V245 HydrophobicContact CD1-CG2 3.55Å; L169-V245 HydrophobicContact CG-CG2 4.2Å; C194-V245 HydrophobicContact CB-CG1 4.12Å; V208-V245 HydrophobicContact CG1-CG1 3.38Å; R209-V245 CarbonylContact O-C 3.59Å; R209-V245 WeakPolarHBondContact O-CA 3.43Å; Y210-V245 HydrophobicContact CD1-CG1 4.38Å; Y210-V245 HydrophobicContact CD1-CG2 3.93Å; Y210-V245 HydrophobicContact CE1-CG1 4.1Å; Y210-V245 HydrophobicContact CE1-CG2 4.03Å; V245-L247 HydrophobicContact CG1-CD2 4.26Å |
| 246 | Q | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.4 | -178.9 | -174.3 | -171.1 | 59.4 | 0 | 0 | 109.9 | E152 K164 L165 R209 F211 | E152-Q246 PolarHBondContact OE2-NE2 2.99Å; K164-Q246 HydrophobicContact CB-CG 4.14Å; K164-Q246 HydrophobicContact CD-CG 4.38Å; L165-Q246 CarbonylContact O-C 3.45Å; L165-Q246 WeakPolarHBondContact O-CA 3.46Å; R209-Q246 HydrophobicContact CB-CB 4.25Å; R209-Q246 PolarHBondContact N-O 3.45Å; R209-Q246 PolarHBondContact O-N 3.09Å; F211-Q246 HydrophobicContact CD2-CB 4.34Å; F211-Q246 HydrophobicContact CE2-CB 3.75Å; F211-Q246 HydrophobicContact CE2-CG 4.41Å |
| 247 | L | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 102.2 | 173.9 | -53.4 | -178.1 | 0 | 0 | 0 | 107.9 | K164 L165 L167 L205 V208 V245 I250 V276 | K164-L247 WeakPolarHBondContact CA-O 3.43Å; L165-L247 HydrophobicContact CB-CB 4.4Å; L165-L247 HydrophobicContact CD2-CD1 4.4Å; L165-L247 PolarHBondContact N-O 3.1Å; L165-L247 VanDerWaalsContact N-O 3.07Å; L165-L247 PolarHBondContact O-N 3.01Å; L167-L247 HydrophobicContact CD1-CD1 3.76Å; L167-L247 HydrophobicContact CD1-CG 4.16Å; L205-L247 HydrophobicContact CD1-CD1 3.64Å; L205-L247 HydrophobicContact CD1-CD2 3.51Å; L205-L247 HydrophobicContact CD1-CG 4.11Å; L205-L247 HydrophobicContact CD2-CD2 4.5Å; L205-L247 HydrophobicContact CG-CD2 4.08Å; V208-L247 HydrophobicContact CG1-CD2 4.28Å; V208-L247 HydrophobicContact CG2-CD2 3.95Å; V245-L247 HydrophobicContact CG1-CD2 4.26Å; L247-I250 HydrophobicContact CD1-CD1 4.23Å; L247-V276 HydrophobicContact CD1-CG2 4.17Å |
| 248 | S | 90.3 | Very high | 93.2 | Very high | 15 Ų | 15 | 25.4 Ų | 25.4 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -86.6 | -40.4 | -174.3 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | I207 | I207-S248 PolarHBondContact O-N 3.41Š|
| 249 | N | 88.6 | Confident | 93.5 | Very high | 103 Ų | 103 | 28.2 Ų | 28.2 | 55% | 0.551 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -122.2 | 42.7 | -170 | -67.2 | 7.6 | 0 | 0 | 0 | 112 | ||
| 250 | I | 92.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 139.1 | 176.1 | -172.6 | 168.2 | 0 | 0 | 0 | 110.7 | S204 L205 L247 R252 V256 V276 V278 | S204-I250 CarbonylContact O-C 3.56Å; S204-I250 VanDerWaalsContact O-CA 3.31Å; S204-I250 WeakPolarHBondContact O-CA 3.34Å; L205-I250 HydrophobicContact CD1-CD1 4.38Å; L247-I250 HydrophobicContact CD1-CD1 4.23Å; I250-R252 PolarHBondContact O-N 3.46Å; I250-V256 HydrophobicContact CD1-CB 4.05Å; I250-V256 HydrophobicContact CD1-CG2 3.94Å; I250-V256 HydrophobicContact CG1-CG2 3.95Å; I250-V276 HydrophobicContact CD1-CB 4.42Å; I250-V276 HydrophobicContact CD1-CG2 3.46Å; I250-V276 VanDerWaalsContact CD1-CG2 3.46Å; I250-V278 HydrophobicContact CD1-CG2 4.38Å; I250-V278 HydrophobicContact CG2-CB 4Å; I250-V278 HydrophobicContact CG2-CG2 3.68Å |
| 251 | T | 92.5 | Very high | 93.8 | Very high | 56 Ų | 56 | 31.7 Ų | 31.7 | 34% | 0.344 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 128.7 | 173.7 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | S204 T254 | S204-T251 VanDerWaalsContact CB-OG1 3.27Å; S204-T251 WeakPolarHBondContact CB-OG1 3.2Å; S204-T251 PolarHBondContact O-N 3.38Å; S204-T251 PolarHBondContact O-OG1 3.26Å; T251-T254 PolarHBondContact O-OG1 2.92Å; T251-T254 VanDerWaalsContact O-OG1 3.08Å; T251-T254 PolarHBondContact OG1-OG1 2.93Å |
| 252 | R | 92.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 31.8 Ų | 31.8 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 155.2 | -175.7 | -54 | -60.7 | -172.4 | -159.2 | -7.6 | 111.4 | G163 I250 T254 V278 D280 | G163-R252 PolarHBondContact O-NH1 2.86Å; G163-R252 PolarHBondContact O-NH2 2.86Å; I250-R252 PolarHBondContact O-N 3.46Å; R252-T254 PolarHBondContact O-N 3.3Å; R252-T254 VanDerWaalsContact O-N 3.16Å; R252-V278 CarbonylContact C-O 3.54Å; R252-V278 VanDerWaalsContact CA-O 3.26Å; R252-V278 WeakPolarHBondContact CA-O 3.14Å; R252-D280 HydrophobicContact CB-CB 3.82Å; R252-D280 HydrophobicContact CG-CB 3.84Å |
| 253 | N | 91.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 32.9 Ų | 32.9 | 41% | 0.412 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 25.8 | 174.1 | -55.5 | -26.5 | 0 | 0 | 0 | 113.6 | V278 D279 D280 | N253-V278 PolarHBondContact N-O 2.9Å; N253-D279 VanDerWaalsContact OD1-CA 3.22Å; N253-D279 WeakPolarHBondContact OD1-CA 3.09Å; N253-D280 PolarHBondContact OD1-N 2.96Å; N253-D280 PolarHBondContact OD1-O 2.84Å |
| 254 | T | 92.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 31% | 0.307 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -137.1 | 142.8 | 179 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | T251 R252 | T251-T254 PolarHBondContact O-OG1 2.92Å; T251-T254 VanDerWaalsContact O-OG1 3.08Å; T251-T254 PolarHBondContact OG1-OG1 2.93Å; R252-T254 PolarHBondContact O-N 3.3Å; R252-T254 VanDerWaalsContact O-N 3.16Å |
| 255 | V | 94.1 | Very high | 93 | Very high | 76 Ų | 76 | 33.8 Ų | 33.8 | 46% | 0.461 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.4 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | F95 E275 V276 C277 | F95-V255 HydrophobicContact CE2-CG1 4.42Å; F95-V255 HydrophobicContact CE2-CG2 4.36Å; V255-E275 HydrophobicContact CG1-CB 4.26Å; V255-V276 WeakPolarHBondContact CA-O 3.26Å; V255-C277 HydrophobicContact CG2-CB 4.23Å |
| 256 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.4 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | D201 L205 I250 V258 V276 | D201-V256 HydrophobicContact CB-CG1 4.08Å; L205-V256 HydrophobicContact CB-CG1 4.28Å; L205-V256 HydrophobicContact CD1-CG1 4.36Å; I250-V256 HydrophobicContact CD1-CB 4.05Å; I250-V256 HydrophobicContact CD1-CG2 3.94Å; I250-V256 HydrophobicContact CG1-CG2 3.95Å; V256-V258 HydrophobicContact CG1-CG2 4.35Å; V256-V276 HydrophobicContact CB-CG2 4.1Å; V256-V276 PolarHBondContact N-O 2.82Å; V256-V276 WeakPolarHBondContact O-CG2 3.43Å; V256-V276 PolarHBondContact O-N 3.45Å |
| 257 | L | 95.2 | Very high | 91.8 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 29% | 0.293 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.3 | 176.7 | -57.7 | 176.9 | 0 | 0 | 0 | 110.3 | G196 T197 D201 E275 | G196-L257 WeakPolarHBondContact CA-O 3.45Å; T197-L257 PolarHBondContact N-O 3.42Å; T197-L257 VanDerWaalsContact N-O 3.08Å; D201-L257 WeakPolarHBondContact CB-O 3.45Å; D201-L257 PolarHBondContact OD1-N 3.33Å; L257-E275 HydrophobicContact CD2-CB 4.28Å; L257-E275 HydrophobicContact CD2-CG 3.58Å |
| 258 | V | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130 | -178 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | C194 L205 V256 G273 F274 V276 | C194-V258 HydrophobicContact CB-CG1 4.45Å; L205-V258 HydrophobicContact CD1-CG2 3.42Å; L205-V258 VanDerWaalsContact CD1-CG2 3.42Å; L205-V258 HydrophobicContact CD2-CG1 4.25Å; L205-V258 HydrophobicContact CD2-CG2 4.21Å; L205-V258 HydrophobicContact CG-CG2 4.43Å; V256-V258 HydrophobicContact CG1-CG2 4.35Å; V258-G273 CarbonylContact O-C 3.51Å; V258-G273 VanDerWaalsContact O-CA 3.31Å; V258-G273 WeakPolarHBondContact O-CA 3.32Å; V258-F274 HydrophobicContact CB-CD2 3.84Å; V258-F274 HydrophobicContact CB-CE2 3.33Å; V258-F274 HydrophobicContact CB-CZ 3.86Å; V258-F274 HydrophobicContact CG1-CD2 4.36Å; V258-F274 HydrophobicContact CG1-CE1 4.4Å; V258-F274 HydrophobicContact CG1-CE2 3.41Å; V258-F274 VanDerWaalsContact CG1-CE2 3.41Å; V258-F274 HydrophobicContact CG1-CZ 3.44Å; V258-F274 VanDerWaalsContact CG1-CZ 3.44Å; V258-F274 HydrophobicContact CG2-CE2 4.11Å; V258-F274 PolarHBondContact N-O 2.92Å; V258-F274 PolarHBondContact O-N 3.38Å; V258-V276 HydrophobicContact CG2-CG2 3.72Å |
| 259 | E | 94.8 | Very high | 90 | Very high | 72 Ų | 72 | 51.3 Ų | 51.3 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.1 | 176 | -174.6 | -172.7 | -148.8 | 0 | 0 | 109.8 | C194 G195 R261 | C194-E259 CarbonylContact C-O 3.59Å; C194-E259 VanDerWaalsContact CA-O 3.3Å; C194-E259 WeakPolarHBondContact CA-O 3.5Å; G195-E259 PolarHBondContact N-O 3.45Å; G195-E259 PolarHBondContact O-N 2.89Å; E259-R261 IonicContact OE2-NE 2.67Å |
| 260 | C | 95.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.6 | 175.1 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | L169 I192 E193 C194 G271 T272 F274 | L169-C260 HydrophobicContact CD1-CB 3.8Å; L169-C260 VanDerWaalsContact CD1-SG 3.54Å; I192-C260 HydrophobicContact CG2-CB 4.21Å; E193-C260 CarbonylContact O-C 3.58Å; E193-C260 VanDerWaalsContact O-CA 3.29Å; E193-C260 WeakPolarHBondContact O-CA 3.36Å; C194-C260 HydrophobicContact CB-CB 4.13Å; C194-C260 WeakPolarHBondContact CB-SG 3.4Å; C194-C260 WeakPolarHBondContact SG-CB 3.35Å; C194-C260 CovalentContact SG-SG 2.03Å; C194-C260 PolarHBondContact SG-SG 2.94Å; C260-G271 CarbonylContact O-C 3.57Å; C260-G271 WeakPolarHBondContact O-CA 3.44Å; C260-T272 HydrophobicContact CB-CG2 4.27Å; C260-T272 PolarHBondContact N-O 2.92Å; C260-T272 PolarHBondContact O-N 3.38Å; C260-F274 HydrophobicContact CB-CE1 4.29Å; C260-F274 VanDerWaalsContact SG-CE1 3.53Å; C260-F274 WeakPolarHBondContact SG-CZ 3.3Å |
| 261 | R | 94 | Very high | 88.9 | Confident | 80 Ų | 80 | 48.9 Ų | 48.9 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.7 | -174.5 | -3.8 | -176.6 | -177.9 | 89.4 | 6.8 | 110.7 | I83 I192 E193 E259 | I83-R261 VanDerWaalsContact CD1-C 3.44Å; I192-R261 WeakPolarHBondContact CA-O 3.41Å; E193-R261 PolarHBondContact N-O 3.15Å; E193-R261 PolarHBondContact O-N 3.01Å; E193-R261 IonicContact OE1-CZ 2.84Å; E193-R261 IonicContact OE1-NH1 3.92Å; E193-R261 PolarHBondContact OE1-NH1 3.45Å; E193-R261 IonicContact OE2-NH1 3.97Å; E193-R261 PolarHBondContact OE2-NH1 3.49Å; E259-R261 IonicContact OE2-NE 2.67Å |
| 262 | L | 93.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 136.7 | 167 | -69.8 | 173.3 | 0 | 0 | 0 | 110 | P81 I83 I171 A191 I192 L265 S268 G270 | P81-L262 HydrophobicContact CG-CD1 4.08Å; P81-L262 WeakPolarHBondContact O-CD1 3.34Å; I83-L262 HydrophobicContact CD1-CB 4.3Å; I83-L262 HydrophobicContact CD1-CD2 3.63Å; I83-L262 HydrophobicContact CD1-CG 3.48Å; I83-L262 VanDerWaalsContact CD1-CG 3.48Å; I83-L262 HydrophobicContact CG1-CD1 4.06Å; I83-L262 HydrophobicContact CG1-CD2 3.59Å; I83-L262 HydrophobicContact CG1-CG 3.49Å; I83-L262 VanDerWaalsContact CG1-CG 3.49Å; I171-L262 HydrophobicContact CD1-CD1 4.45Å; I171-L262 HydrophobicContact CD1-CD2 3.61Å; I171-L262 HydrophobicContact CG1-CD2 3.85Å; A191-L262 WeakPolarHBondContact O-CA 3.46Å; I192-L262 HydrophobicContact CG1-CD2 3.95Å; L262-L265 HydrophobicContact CB-CD1 4.33Å; L262-L265 HydrophobicContact CD1-CD1 4.36Å; L262-S268 PolarHBondContact O-OG 3.41Å; L262-G270 PolarHBondContact N-O 3.45Å; L262-G270 VanDerWaalsContact N-O 3.1Å |
| 263 | V | 92.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 162.6 | 178.6 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | I187 A191 E193 Y222 L265 | I187-V263 HydrophobicContact CD1-CG2 4.35Å; A191-V263 HydrophobicContact CB-CG2 3.92Å; A191-V263 PolarHBondContact N-O 3.09Å; A191-V263 VanDerWaalsContact N-O 3.16Å; A191-V263 WeakPolarHBondContact O-CG2 3.35Å; A191-V263 PolarHBondContact O-N 2.97Å; E193-V263 HydrophobicContact CB-CG1 3.96Å; E193-V263 HydrophobicContact CB-CG2 4.25Å; Y222-V263 HydrophobicContact CD1-CG2 3.69Å; Y222-V263 HydrophobicContact CE1-CG2 3.8Å; Y222-V263 HydrophobicContact CG-CG2 4.45Å; V263-L265 VanDerWaalsContact C-N 3.32Å |
| 264 | G | 88.6 | Confident | 88.9 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 80.2 | 10.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L181 E182 | L181-G264 WeakPolarHBondContact CA-O 3.48Å; E182-G264 PolarHBondContact N-O 3.38Å; E182-G264 VanDerWaalsContact N-O 3.1Å |
| 265 | L | 90.2 | Very high | 89 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 139.6 | 179.9 | -67 | 173 | 0 | 0 | 0 | 110 | W177 P179 D180 L181 P190 L262 V263 N267 S268 | W177-L265 HydrophobicContact CH2-CD1 4.27Å; W177-L265 HydrophobicContact CZ2-CD1 3.98Å; W177-L265 HydrophobicContact CZ2-CD2 4.32Å; P179-L265 HydrophobicContact CB-CD2 3.62Å; D180-L265 WeakPolarHBondContact O-CA 3.33Å; L181-L265 HydrophobicContact CD2-CD2 4.26Å; P190-L265 HydrophobicContact CB-CD1 4.44Å; P190-L265 HydrophobicContact CG-CD2 4.17Å; L262-L265 HydrophobicContact CB-CD1 4.33Å; L262-L265 HydrophobicContact CD1-CD1 4.36Å; V263-L265 VanDerWaalsContact C-N 3.32Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 2.85Å; L265-S268 PolarHBondContact O-OG 3.36Å |
| 266 | K | 86.1 | Confident | 89 | Confident | 115 Ų | 115 | 40.7 Ų | 40.7 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -35.1 | 178.8 | -66.6 | -165.7 | -168.2 | 117.1 | 0 | 113.4 | D180 L181 E182 | D180-K266 PolarHBondContact O-N 2.78Å; D180-K266 IonicContact OD1-NZ 2.75Å; D180-K266 PolarHBondContact OD1-NZ 2.82Å; D180-K266 WeakPolarHBondContact OD2-CD 3.25Å; D180-K266 IonicContact OD2-NZ 2.69Å; D180-K266 PolarHBondContact OD2-NZ 3.37Å; L181-K266 WeakPolarHBondContact O-CE 3.49Å; E182-K266 HydrophobicContact CB-CG 4.01Å; E182-K266 HydrophobicContact CG-CG 4.42Å |
| 267 | N | 78.7 | Confident | 88.9 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 49% | 0.492 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 69.7 | -176.4 | -74.6 | -21.8 | 0 | 0 | 0 | 110.5 | Q80 L265 | Q80-N267 WeakPolarHBondContact CG-O 3.48Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 2.85Å |
| 268 | S | 74.6 | Confident | 88.8 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | trans | -112.1 | 109.4 | 172.9 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | L262 L265 | L262-S268 PolarHBondContact O-OG 3.41Å; L265-S268 PolarHBondContact O-OG 3.36Å | ||
| 269 | I | 72.5 | Confident | 88.7 | Confident | 134 Ų | 134 | 40.3 Ų | 40.3 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | trans | -107 | -4.1 | 169.1 | -52.3 | -176.2 | 0 | 0 | 0 | 110.5 | Q80 G271 | Q80-I269 VanDerWaalsContact OE1-CD1 3.31Å; I269-G271 PolarHBondContact O-N 3.49Å | ||
| 270 | G | 74.5 | Confident | 88.5 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | trans | -73.1 | 113.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L262 | L262-G270 PolarHBondContact N-O 3.45Å; L262-G270 VanDerWaalsContact N-O 3.1Å | ||
| 271 | G | 84.8 | Confident | 87.8 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 159 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C260 I269 | C260-G271 CarbonylContact O-C 3.57Å; C260-G271 WeakPolarHBondContact O-CA 3.44Å; I269-G271 PolarHBondContact O-N 3.49Å |
| 272 | T | 90.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 130 | 171.4 | -168.3 | 0 | 0 | 0 | 0 | 109.5 | I83 L169 C260 F274 | I83-T272 HydrophobicContact CB-CG2 3.99Å; I83-T272 HydrophobicContact CG2-CG2 3.73Å; I83-T272 WeakPolarHBondContact O-CB 3.48Å; L169-T272 HydrophobicContact CD2-CG2 4.34Å; C260-T272 HydrophobicContact CB-CG2 4.27Å; C260-T272 PolarHBondContact N-O 2.92Å; C260-T272 PolarHBondContact O-N 3.38Å; T272-F274 HydrophobicContact CG2-CD1 4.33Å; T272-F274 HydrophobicContact CG2-CE1 4.33Å |
| 273 | G | 92.2 | Very high | 84.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V258 | V258-G273 CarbonylContact O-C 3.51Å; V258-G273 VanDerWaalsContact O-CA 3.31Å; V258-G273 WeakPolarHBondContact O-CA 3.32Å |
| 274 | F | 92.4 | Very high | 82.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 159.6 | 176.2 | 48.7 | -96.8 | 0 | 0 | 0 | 111 | T94 L167 L169 V258 C260 T272 V276 | T94-F274 WeakPolarHBondContact O-CB 3.31Å; L167-F274 HydrophobicContact CD1-CD2 4.27Å; L167-F274 HydrophobicContact CD1-CE2 3.25Å; L167-F274 HydrophobicContact CD1-CZ 3.6Å; L167-F274 HydrophobicContact CG-CE2 4.44Å; L169-F274 HydrophobicContact CD2-CE1 4.1Å; V258-F274 HydrophobicContact CB-CD2 3.84Å; V258-F274 HydrophobicContact CB-CE2 3.33Å; V258-F274 HydrophobicContact CB-CZ 3.86Å; V258-F274 HydrophobicContact CG1-CD2 4.36Å; V258-F274 HydrophobicContact CG1-CE1 4.4Å; V258-F274 HydrophobicContact CG1-CE2 3.41Å; V258-F274 VanDerWaalsContact CG1-CE2 3.41Å; V258-F274 HydrophobicContact CG1-CZ 3.44Å; V258-F274 VanDerWaalsContact CG1-CZ 3.44Å; V258-F274 HydrophobicContact CG2-CE2 4.11Å; V258-F274 PolarHBondContact N-O 2.92Å; V258-F274 PolarHBondContact O-N 3.38Å; C260-F274 HydrophobicContact CB-CE1 4.29Å; C260-F274 VanDerWaalsContact SG-CE1 3.53Å; C260-F274 WeakPolarHBondContact SG-CZ 3.3Å; T272-F274 HydrophobicContact CG2-CD1 4.33Å; T272-F274 HydrophobicContact CG2-CE1 4.33Å; F274-V276 HydrophobicContact CD2-CG1 3.83Å; F274-V276 HydrophobicContact CE2-CG1 4.09Å |
| 275 | E | 93.9 | Very high | 79.7 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.8 | -174.6 | -52.4 | -174 | 164.2 | 0 | 0 | 108 | T94 F95 I96 V255 L257 | T94-E275 PolarHBondContact O-N 2.97Å; F95-E275 CarbonylContact C-O 3.5Å; F95-E275 WeakPolarHBondContact CA-O 3.37Å; F95-E275 HydrophobicContact CB-CB 4.5Å; F95-E275 HydrophobicContact CD2-CB 3.8Å; I96-E275 PolarHBondContact N-O 2.83Å; V255-E275 HydrophobicContact CG1-CB 4.26Å; L257-E275 HydrophobicContact CD2-CB 4.28Å; L257-E275 HydrophobicContact CD2-CG 3.58Å |
| 276 | V | 94.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.3 | 179.8 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | I96 L165 L167 L247 I250 V255 V256 V258 F274 | I96-V276 HydrophobicContact CB-CG1 4.27Å; I96-V276 HydrophobicContact CD1-CG1 4.3Å; I96-V276 CarbonylContact O-C 3.57Å; I96-V276 WeakPolarHBondContact O-CA 3.25Å; L165-V276 HydrophobicContact CD2-CB 4Å; L165-V276 HydrophobicContact CD2-CG1 3.94Å; L167-V276 HydrophobicContact CD1-CG1 4.4Å; L167-V276 HydrophobicContact CD2-CG1 4.23Å; L247-V276 HydrophobicContact CD1-CG2 4.17Å; I250-V276 HydrophobicContact CD1-CB 4.42Å; I250-V276 HydrophobicContact CD1-CG2 3.46Å; I250-V276 VanDerWaalsContact CD1-CG2 3.46Å; V255-V276 WeakPolarHBondContact CA-O 3.26Å; V256-V276 HydrophobicContact CB-CG2 4.1Å; V256-V276 PolarHBondContact N-O 2.82Å; V256-V276 WeakPolarHBondContact O-CG2 3.43Å; V256-V276 PolarHBondContact O-N 3.45Å; V258-V276 HydrophobicContact CG2-CG2 3.72Å; F274-V276 HydrophobicContact CD2-CG1 3.83Å; F274-V276 HydrophobicContact CE2-CG1 4.09Å |
| 277 | C | 93.5 | Very high | 78.8 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 7% | 0.074 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.2 | 170.2 | -167.7 | 0 | 0 | 0 | 0 | 108.5 | F95 I96 V98 V255 D279 | F95-C277 HydrophobicContact CE2-CB 3.81Å; F95-C277 HydrophobicContact CZ-CB 3.87Å; I96-C277 PolarHBondContact O-N 3.44Å; V98-C277 PolarHBondContact N-O 2.93Å; V255-C277 HydrophobicContact CG2-CB 4.23Å; C277-D279 PolarHBondContact SG-OD1 3.23Å |
| 278 | V | 93.8 | Very high | 78.8 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107.7 | 174.2 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | V98 T100 L165 I250 R252 N253 | V98-V278 HydrophobicContact CG2-CB 4.32Å; V98-V278 HydrophobicContact CG2-CG1 4.13Å; V98-V278 HydrophobicContact CG2-CG2 3.8Å; V98-V278 CarbonylContact O-C 3.56Å; V98-V278 WeakPolarHBondContact O-CA 3.38Å; T100-V278 HydrophobicContact CG2-CG1 3.78Å; L165-V278 HydrophobicContact CB-CG2 4.07Å; L165-V278 HydrophobicContact CD2-CG2 3.95Å; I250-V278 HydrophobicContact CD1-CG2 4.38Å; I250-V278 HydrophobicContact CG2-CB 4Å; I250-V278 HydrophobicContact CG2-CG2 3.68Å; R252-V278 CarbonylContact C-O 3.54Å; R252-V278 VanDerWaalsContact CA-O 3.26Å; R252-V278 WeakPolarHBondContact CA-O 3.14Å; N253-V278 PolarHBondContact N-O 2.9Å |
| 279 | D | 92.9 | Very high | 79.1 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 19% | 0.187 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.6 | 179.6 | -67.9 | 1.8 | 0 | 0 | 0 | 109.9 | H97 V98 A99 T100 N253 C277 | H97-D279 IonicContact CD2-OD1 3.91Å; H97-D279 IonicContact CD2-OD2 3.94Å; H97-D279 IonicContact CE1-OD2 3.33Å; H97-D279 PolarHBondContact CE1-OD2 3.49Å; H97-D279 IonicContact NE2-OD1 2.7Å; H97-D279 PolarHBondContact NE2-OD1 3.4Å; H97-D279 IonicContact NE2-OD2 3.05Å; H97-D279 PolarHBondContact NE2-OD2 3.36Å; V98-D279 PolarHBondContact O-N 3.32Å; A99-D279 CarbonylContact C-O 3.11Å; A99-D279 VanDerWaalsContact CA-O 3.32Å; A99-D279 WeakPolarHBondContact CA-O 3.27Å; A99-D279 HydrophobicContact CB-CB 4.3Å; T100-D279 WeakPolarHBondContact CG2-O 3.15Å; T100-D279 PolarHBondContact N-O 2.9Å; T100-D279 PolarHBondContact OG1-O 3.15Å; N253-D279 VanDerWaalsContact OD1-CA 3.22Å; N253-D279 WeakPolarHBondContact OD1-CA 3.09Å; C277-D279 PolarHBondContact SG-OD1 3.23Å |
| 280 | D | 89 | Confident | 79.5 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | trans | -106.5 | 155.4 | 168.8 | -156.6 | 3.1 | 0 | 0 | 0 | 109.7 | T100 R252 N253 D282 | T100-D280 WeakPolarHBondContact OG1-CA 3.42Å; T100-D280 PolarHBondContact OG1-OD1 3.41Å; R252-D280 HydrophobicContact CB-CB 3.82Å; R252-D280 HydrophobicContact CG-CB 3.84Å; N253-D280 PolarHBondContact OD1-N 2.96Å; N253-D280 PolarHBondContact OD1-O 2.84Å; D280-D282 PolarHBondContact O-N 3.28Å | ||
| 281 | K | 81.2 | Confident | 79.8 | Confident | 156 Ų | 156 | 70.5 Ų | 70.5 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | trans | -59 | 118.9 | 177.7 | -170.5 | 176 | -176.5 | 177.2 | 0 | 107.1 | F101 S283 | F101-K281 HydrophobicContact CD1-CB 4Å; F101-K281 HydrophobicContact CE1-CB 4.45Å; K281-S283 PolarHBondContact O-N 3.05Å | ||
| 282 | D | 67.5 | Low | 79.5 | Confident | 138 Ų | 138 | 72.4 Ų | 72.4 | 74% | 0.738 | 41% | 0.408 | S | S | * | . | trans | -38 | 111.2 | -177.3 | -89.7 | -29.1 | 0 | 0 | 0 | 109.3 | D280 G284 | D280-D282 PolarHBondContact O-N 3.28Å; D282-G284 PolarHBondContact O-N 2.69Å | ||
| 283 | S | 51.8 | Low | 78.6 | Confident | 106 Ų | 106 | 76.4 Ų | 76.4 | 74% | 0.741 | 43% | 0.429 | S | S | * | . | trans | -71.4 | 75 | 165.4 | -63.6 | 0 | 0 | 0 | 0 | 105.1 | K281 K285 | K281-S283 PolarHBondContact O-N 3.05Å; S283-K285 VanDerWaalsContact C-N 3.34Å; S283-K285 PolarHBondContact O-N 3.4Å | ||
| 284 | G | 45 | Very low | 77.5 | Confident | 72 Ų | 72 | 79.1 Ų | 79.1 | 74% | 0.742 | 43% | 0.427 | S | S | * | . | trans | -51.8 | 101.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | D282 | D282-G284 PolarHBondContact O-N 2.69Š| ||
| 285 | K | 34.8 | Very low | 76.1 | Confident | 276 Ų | 276 | 85.9 Ų | 85.9 | 100% | 1.2 | 47% | 0.465 | S | S | * | . | trans | -87.9 | 0 | 147 | -80.2 | -172.3 | 176.6 | -179.8 | 0 | 107.3 | S283 | S283-K285 VanDerWaalsContact C-N 3.34Å; S283-K285 PolarHBondContact O-N 3.4Å |
Retrieved 285 of 285 residues in 163.9 ms
(Link to these results)