| 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 | 33.6 | Very low | 36 | Very low | 248 Ų | 248 | 161.8 Ų | 161.8 | 100% | 1.222 | 87% | 0.869 | S | S | * | * | 0 | 106 | 0 | -80.2 | 170.8 | 163.3 | 0 | 0 | 107.8 | S3 | M1-S3 PolarHBondContact O-N 3.08Š| |||
| 2 | A | 34 | Very low | 36.6 | Very low | 109 Ų | 109 | 157.6 Ų | 157.6 | 90% | 0.901 | 86% | 0.856 | S | S | * | * | trans | -72.7 | 119 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | S | 29.4 | Very low | 37.1 | Very low | 107 Ų | 107 | 150.3 Ų | 150.3 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -92.3 | 102.6 | 169.5 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | M1 R5 | M1-S3 PolarHBondContact O-N 3.08Å; S3-R5 PolarHBondContact O-N 3.26Å | ||
| 4 | A | 41.8 | Very low | 37.9 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -63.7 | 110.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | R | 37.8 | Very low | 38.4 | Very low | 224 Ų | 224 | 142.3 Ų | 142.3 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -93.5 | 112.4 | 166.1 | -77.6 | -173.5 | 174.8 | -173.3 | -1.2 | 108.7 | S3 F7 | S3-R5 PolarHBondContact O-N 3.26Å; R5-F7 PolarHBondContact O-N 3.08Å | ||
| 6 | R | 40.1 | Very low | 38.9 | Very low | 246 Ų | 246 | 139.3 Ų | 139.3 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | trans | -55.2 | 121.5 | 175.3 | -67.2 | 173.2 | 176.8 | 170.9 | -2.3 | 109.6 | C8 | R6-C8 PolarHBondContact O-N 2.77Š| ||
| 7 | F | 34 | Very low | 39.4 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 90% | 0.899 | 77% | 0.766 | S | S | * | * | trans | -70.6 | 108.1 | 164.2 | -87.8 | -92.8 | 0 | 0 | 0 | 108.2 | R5 L9 | R5-F7 PolarHBondContact O-N 3.08Å; F7-L9 PolarHBondContact O-N 3.15Å | ||
| 8 | C | 33.5 | Very low | 39.4 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | -78.7 | 102.1 | 167.3 | -137.3 | 0 | 0 | 0 | 0 | 106.7 | R6 C10 | R6-C8 PolarHBondContact O-N 2.77Å; C8-C10 VanDerWaalsContact C-N 3.27Å; C8-C10 PolarHBondContact O-N 3.12Å | ||
| 9 | L | 37.3 | Very low | 39.3 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -65.2 | 91.9 | 165.2 | -74.1 | 163 | 0 | 0 | 0 | 107.3 | F7 L11 | F7-L9 PolarHBondContact O-N 3.15Å; L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.31Å | ||
| 10 | C | 35 | Very low | 39.2 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 95.7 | 162.1 | -72.1 | 0 | 0 | 0 | 0 | 107.2 | C8 | C8-C10 VanDerWaalsContact C-N 3.27Å; C8-C10 PolarHBondContact O-N 3.12Å | ||
| 11 | L | 39.9 | Very low | 39.1 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -42.5 | 143.1 | 163.5 | -77 | 132.5 | 0 | 0 | 0 | 110.2 | L9 S13 | L9-L11 VanDerWaalsContact C-N 3.26Å; L9-L11 PolarHBondContact O-N 3.31Å; L11-S13 PolarHBondContact O-N 3.05Å | ||
| 12 | P | 42.3 | Very low | 39.3 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | trans | -60.4 | 135.5 | 168.5 | 28.8 | -31.8 | 0 | 0 | 0 | 108.4 | ||||
| 13 | S | 43.2 | Very low | 39.1 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 44% | 0.441 | 73% | 0.728 | S | S | . | * | trans | -41.4 | 138.4 | 180 | 175 | 0 | 0 | 0 | 0 | 113.2 | L11 V15 V16 | L11-S13 PolarHBondContact O-N 3.05Å; S13-V15 PolarHBondContact O-N 3.34Å; S13-V15 VanDerWaalsContact OG-CG2 3.31Å; S13-V15 WeakPolarHBondContact OG-CG2 3.29Å; S13-V15 PolarHBondContact OG-N 3.33Å; S13-V16 PolarHBondContact O-N 3.33Å | ||
| 14 | P | 48.9 | Very low | 39.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -60.4 | -9.1 | 177.1 | 26 | -34.5 | 0 | 0 | 0 | 113.6 | L18 | P14-L18 PolarHBondContact O-N 3.44Å |
| 15 | V | 45.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 52% | 0.515 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -70.1 | -28.3 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | S13 L19 | S13-V15 PolarHBondContact O-N 3.34Å; S13-V15 VanDerWaalsContact OG-CG2 3.31Å; S13-V15 WeakPolarHBondContact OG-CG2 3.29Å; S13-V15 PolarHBondContact OG-N 3.33Å; V15-L19 HydrophobicContact CG1-CD1 4.28Å; V15-L19 PolarHBondContact O-N 2.97Å |
| 16 | V | 46.2 | Very low | 38.9 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 58% | 0.576 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -77.7 | -32.9 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | S13 | S13-V16 PolarHBondContact O-N 3.33Å |
| 17 | V | 46.6 | Very low | 38.5 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 60% | 0.6 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -74.3 | -33.8 | 175.9 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L21 | V17-L21 HydrophobicContact CG1-CD1 4.49Å |
| 18 | L | 40.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 59% | 0.592 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74.5 | -20.7 | 177.6 | -81 | 162.3 | 0 | 0 | 0 | 114.3 | P14 | P14-L18 PolarHBondContact O-N 3.44Å |
| 19 | L | 36.6 | Very low | 38.8 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -81.3 | -22.3 | 176.5 | -82.3 | 165.4 | 0 | 0 | 0 | 113.5 | V15 | V15-L19 HydrophobicContact CG1-CD1 4.28Å; V15-L19 PolarHBondContact O-N 2.97Å |
| 20 | L | 37.2 | Very low | 39.3 | Very low | 139 Ų | 139 | 119.4 Ų | 119.4 | 73% | 0.728 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.7 | -18.7 | 171.9 | -69 | 173.2 | 0 | 0 | 0 | 112.9 | ||
| 21 | L | 38.6 | Very low | 40.5 | Very low | 139 Ų | 139 | 117.1 Ų | 117.1 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 3.5 | 177.8 | -73.6 | 167 | 0 | 0 | 0 | 113.9 | V17 | V17-L21 HydrophobicContact CG1-CD1 4.49Š|
| 22 | R | 36.3 | Very low | 41.8 | Very low | 219 Ų | 219 | 112.4 Ų | 112.4 | 83% | 0.826 | 63% | 0.627 | S | S | * | * | trans | -125.9 | 40.2 | -174.3 | -145.9 | -176.1 | -176.9 | -167.8 | 0.8 | 113.2 | P24 | R22-P24 WeakPolarHBondContact O-CD 3.34Š| ||
| 23 | W | 31.2 | Very low | 43.5 | Very low | 225 Ų | 225 | 107.9 Ų | 107.9 | 85% | 0.852 | 60% | 0.597 | S | S | * | * | trans | -96 | 104.7 | 159.5 | -122.5 | -33.2 | 0 | 0 | 0 | 108.8 | G25 | W23-G25 PolarHBondContact O-N 2.78Š| ||
| 24 | P | 36.5 | Very low | 45.4 | Very low | 128 Ų | 128 | 104.9 Ų | 104.9 | 83% | 0.831 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 86.7 | 165.4 | 30.1 | -25.9 | 0 | 0 | 0 | 106.6 | R22 | R22-P24 WeakPolarHBondContact O-CD 3.34Š|
| 25 | G | 34.7 | Very low | 47 | Very low | 60 Ų | 60 | 101.8 Ų | 101.8 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.2 | -12 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | W23 | W23-G25 PolarHBondContact O-N 2.78Š|
| 26 | L | 32.7 | Very low | 49 | Very low | 154 Ų | 154 | 97.7 Ų | 97.7 | 81% | 0.806 | 53% | 0.53 | S | S | * | . | trans | -112.2 | 83.6 | 165.1 | -102.6 | 77.1 | 0 | 0 | 0 | 108.1 | V28 | L26-V28 PolarHBondContact O-N 3.31Š| ||
| 27 | L | 32.2 | Very low | 50.9 | Low | 174 Ų | 174 | 96.6 Ų | 96.6 | 91% | 0.911 | 52% | 0.518 | S | S | * | . | trans | -67.3 | 94.4 | 146.2 | -83.3 | 162.1 | 0 | 0 | 0 | 104.6 | A29 | L27-A29 PolarHBondContact O-N 3.1Å; L27-A29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | V | 35 | Very low | 52.9 | Low | 79 Ų | 79 | 92 Ų | 92 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | trans | -57.1 | 112.5 | 159.6 | 175.5 | 0 | 0 | 0 | 0 | 104.4 | L26 A30 | L26-V28 PolarHBondContact O-N 3.31Å; V28-A30 PolarHBondContact O-N 2.97Å | ||
| 29 | A | 38.4 | Very low | 55 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 65% | 0.645 | 47% | 0.474 | S | S | * | . | trans | -60.8 | 111.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | L27 E31 | L27-A29 PolarHBondContact O-N 3.1Å; L27-A29 VanDerWaalsContact O-N 3.08Å; A29-E31 PolarHBondContact O-N 2.94Å; A29-E31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | A | 47.3 | Very low | 57.4 | Low | 53 Ų | 53 | 85.5 Ų | 85.5 | 44% | 0.438 | 45% | 0.454 | S | S | . | . | trans | -68.9 | 107.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | V28 Q32 | V28-A30 PolarHBondContact O-N 2.97Å; A30-Q32 PolarHBondContact O-N 3.03Å | ||
| 31 | E | 60.2 | Low | 59.4 | Low | 72 Ų | 72 | 85 Ų | 85 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 118.2 | 176.7 | -158.5 | 171.5 | -170.9 | 0 | 0 | 107.7 | A29 I199 Q201 | A29-E31 PolarHBondContact O-N 2.94Å; A29-E31 VanDerWaalsContact O-N 3.12Å; E31-I199 PolarHBondContact O-N 2.98Å; E31-Q201 PolarHBondContact OE2-NE2 2.98Å; E31-Q201 PolarHBondContact OE2-OE1 3.5Å |
| 32 | Q | 67.9 | Low | 61 | Low | 52 Ų | 52 | 85.3 Ų | 85.3 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.6 | 179.8 | -167.8 | 172.8 | 18.1 | 0 | 0 | 109.5 | A30 V54 Y196 | A30-Q32 PolarHBondContact O-N 3.03Å; Q32-V54 HydrophobicContact CB-CB 4.42Å; Q32-V54 HydrophobicContact CG-CG2 4.33Å; Q32-V54 WeakPolarHBondContact O-CB 3.38Å; Q32-V54 PolarHBondContact O-N 3.04Å; Q32-Y196 HydrophobicContact CG-CD1 4.48Å |
| 33 | V | 78 | Confident | 62.6 | Low | 15 Ų | 15 | 80.7 Ų | 80.7 | 9% | 0.091 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.7 | 178.6 | 179 | 0 | 0 | 0 | 0 | 109.3 | Q51 G52 E197 I199 | V33-Q51 HydrophobicContact CG1-CG 3.74Å; V33-G52 WeakPolarHBondContact CG1-O 3.34Å; V33-E197 PolarHBondContact N-O 3.47Å; V33-E197 PolarHBondContact O-N 3Å; V33-I199 HydrophobicContact CB-CD1 4.07Å; V33-I199 HydrophobicContact CB-CG1 4.4Å; V33-I199 HydrophobicContact CG2-CD1 3.54Å; V33-I199 HydrophobicContact CG2-CG1 4.03Å |
| 34 | A | 82 | Confident | 64.2 | Low | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G52 V54 I169 I194 T195 Y196 | A34-G52 PolarHBondContact N-O 3.38Å; A34-G52 PolarHBondContact O-N 2.87Å; A34-V54 HydrophobicContact CB-CG2 3.53Å; A34-I169 HydrophobicContact CB-CD1 3.97Å; A34-I169 HydrophobicContact CB-CG1 3.97Å; A34-I169 HydrophobicContact CB-CG2 3.96Å; A34-I194 HydrophobicContact CB-CG2 4.21Å; A34-T195 CarbonylContact C-O 3.58Å; A34-T195 WeakPolarHBondContact CA-O 3.25Å; A34-Y196 HydrophobicContact CB-CD1 4.17Å; A34-Y196 HydrophobicContact CB-CE1 4.15Å |
| 35 | L | 83.5 | Confident | 65.6 | Low | 30 Ų | 30 | 73.2 Ų | 73.2 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.6 | 168 | -66.8 | 172.8 | 0 | 0 | 0 | 108.3 | L49 Q51 I194 T195 E197 | L35-L49 HydrophobicContact CB-CD1 4.3Å; L35-L49 HydrophobicContact CD2-CD1 4.46Å; L35-Q51 HydrophobicContact CD2-CB 4.32Å; L35-Q51 HydrophobicContact CD2-CG 4.2Å; L35-I194 WeakPolarHBondContact O-CA 3.5Å; L35-T195 WeakPolarHBondContact CB-OG1 3.46Å; L35-T195 PolarHBondContact N-O 2.87Å; L35-T195 PolarHBondContact O-N 3.14Å; L35-E197 VanDerWaalsContact CD1-CD 3.47Å; L35-E197 HydrophobicContact CD1-CG 4.15Å; L35-E197 WeakPolarHBondContact CD1-OE1 3.06Å |
| 36 | V | 86.8 | Confident | 67.4 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 104.9 | -177.3 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V38 L50 I145 I169 I171 A192 K193 I194 | V36-V38 HydrophobicContact CG1-CG2 4.05Å; V36-L50 HydrophobicContact CB-CB 4.29Å; V36-L50 PolarHBondContact N-O 2.98Å; V36-L50 PolarHBondContact O-N 3.19Å; V36-I145 HydrophobicContact CG1-CD1 4Å; V36-I169 HydrophobicContact CG2-CD1 4.25Å; V36-I169 HydrophobicContact CG2-CG2 4.18Å; V36-I171 HydrophobicContact CB-CD1 4.3Å; V36-I171 HydrophobicContact CG2-CD1 4.06Å; V36-A192 HydrophobicContact CG1-CB 4.04Å; V36-K193 WeakPolarHBondContact CA-O 3.46Å; V36-I194 HydrophobicContact CG1-CG1 4.33Å; V36-I194 HydrophobicContact CG2-CG1 4.21Å |
| 37 | E | 86.6 | Confident | 69.5 | Low | 72 Ų | 72 | 70 Ų | 70 | 34% | 0.336 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.7 | 172.2 | -70.9 | -174.4 | 168.5 | 0 | 0 | 109.9 | F39 L49 A192 K193 | E37-F39 HydrophobicContact CB-CE2 3.92Å; E37-F39 HydrophobicContact CB-CZ 4.2Å; E37-L49 HydrophobicContact CG-CD1 3.48Å; E37-L49 VanDerWaalsContact CG-CD1 3.48Å; E37-A192 CarbonylContact O-C 3.59Å; E37-A192 VanDerWaalsContact O-CA 3.3Å; E37-A192 WeakPolarHBondContact O-CA 3.3Å; E37-K193 HydrophobicContact CB-CB 4.43Å; E37-K193 PolarHBondContact N-O 2.9Å; E37-K193 PolarHBondContact O-N 3.2Å |
| 38 | V | 87.9 | Confident | 71.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.5 | -178 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | V36 S47 T48 L50 L79 L180 A190 T191 A192 | V36-V38 HydrophobicContact CG1-CG2 4.05Å; V38-S47 CarbonylContact O-C 3.53Å; V38-S47 VanDerWaalsContact O-CA 3.3Å; V38-S47 WeakPolarHBondContact O-CA 3.41Å; V38-T48 PolarHBondContact N-O 3.38Å; V38-T48 PolarHBondContact O-N 3.35Å; V38-L50 HydrophobicContact CG2-CD1 3.99Å; V38-L79 HydrophobicContact CB-CD1 4.48Å; V38-L79 HydrophobicContact CG1-CD1 3.56Å; V38-L79 HydrophobicContact CG2-CD1 4.12Å; V38-L180 HydrophobicContact CG1-CD1 3.7Å; V38-L180 HydrophobicContact CG1-CD2 4.34Å; V38-L180 HydrophobicContact CG2-CD2 4.17Å; V38-A190 HydrophobicContact CG1-CB 4.06Å; V38-T191 CarbonylContact C-O 3.52Å; V38-T191 WeakPolarHBondContact CA-O 3.43Å; V38-A192 HydrophobicContact CG2-CB 4.32Å |
| 39 | F | 86.5 | Confident | 74.1 | Confident | 54 Ų | 54 | 64 Ų | 64 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128 | 179.4 | -54.4 | -95.9 | 0 | 0 | 0 | 109.6 | E37 A190 T191 K193 | E37-F39 HydrophobicContact CB-CE2 3.92Å; E37-F39 HydrophobicContact CB-CZ 4.2Å; F39-A190 CarbonylContact O-C 3.58Å; F39-A190 WeakPolarHBondContact O-CA 3.36Å; F39-T191 PolarHBondContact N-O 3.29Å; F39-T191 PolarHBondContact O-N 2.69Å; F39-K193 HydrophobicContact CE2-CB 4.27Å |
| 40 | L | 85 | Confident | 76.1 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132 | 174.7 | -73.1 | 165 | 0 | 0 | 0 | 109.7 | Q42 Q43 A183 A190 | L40-Q42 PolarHBondContact O-N 3.02Å; L40-Q42 VanDerWaalsContact O-N 3.13Å; L40-Q43 CarbonylContact O-C 3.43Å; L40-Q43 PolarHBondContact O-N 3.36Å; L40-A183 HydrophobicContact CD2-CB 3.87Å; L40-A190 HydrophobicContact CD2-CB 4.04Å |
| 41 | E | 79.3 | Confident | 77.6 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -29.2 | -176.7 | -166.8 | 178.2 | -155.4 | 0 | 0 | 112.6 | R189 | E41-R189 HydrophobicContact CB-CB 4.31Å; E41-R189 PolarHBondContact N-O 3.11Å; E41-R189 WeakPolarHBondContact OE2-CB 3.48Å; E41-R189 VanDerWaalsContact OE2-CD 3.29Å; E41-R189 WeakPolarHBondContact OE2-CD 3.44Å |
| 42 | Q | 73.8 | Confident | 78.3 | Confident | 147 Ų | 147 | 61 Ų | 61 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -22.6 | 176.1 | -70.4 | -175.6 | -15.6 | 0 | 0 | 114 | L40 L188 | L40-Q42 PolarHBondContact O-N 3.02Å; L40-Q42 VanDerWaalsContact O-N 3.13Å; Q42-L188 HydrophobicContact CG-CD2 4.24Å |
| 43 | Q | 69.9 | Low | 78.5 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 72.1 | -178.7 | -68.9 | -169.8 | -5 | 0 | 0 | 110.7 | L40 A45 V46 | L40-Q43 CarbonylContact O-C 3.43Å; L40-Q43 PolarHBondContact O-N 3.36Å; Q43-A45 PolarHBondContact O-N 2.97Å; Q43-V46 PolarHBondContact O-N 3.22Å; Q43-V46 VanDerWaalsContact O-N 3.12Å |
| 44 | P | 64.1 | Low | 78.3 | Confident | 96 Ų | 96 | 62.1 Ų | 62.1 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -15.2 | -176.4 | 25.7 | -34.5 | 0 | 0 | 0 | 113.6 | V46 | P44-V46 VanDerWaalsContact C-N 3.34Å |
| 45 | A | 65.1 | Low | 77.7 | Confident | 100 Ų | 100 | 64 Ų | 64 | 83% | 0.826 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -11.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q43 | Q43-A45 PolarHBondContact O-N 2.97Å |
| 46 | V | 73.7 | Confident | 76.6 | Confident | 86 Ų | 86 | 69 Ų | 69 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 100.2 | -179.1 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | Q43 P44 | Q43-V46 PolarHBondContact O-N 3.22Å; Q43-V46 VanDerWaalsContact O-N 3.12Å; P44-V46 VanDerWaalsContact C-N 3.34Å |
| 47 | S | 77.1 | Confident | 74.9 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 42% | 0.42 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 143.9 | 171.9 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | V38 | V38-S47 CarbonylContact O-C 3.53Å; V38-S47 VanDerWaalsContact O-CA 3.3Å; V38-S47 WeakPolarHBondContact O-CA 3.41Å |
| 48 | T | 80.9 | Confident | 72.7 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.8 | 169.4 | 56.5 | 0 | 0 | 0 | 0 | 109 | V38 | V38-T48 PolarHBondContact N-O 3.38Å; V38-T48 PolarHBondContact O-N 3.35Å |
| 49 | L | 81.2 | Confident | 70.7 | Confident | 91 Ų | 91 | 79.2 Ų | 79.2 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.1 | 174.4 | -174.1 | 70.2 | 0 | 0 | 0 | 109.9 | L35 E37 | L35-L49 HydrophobicContact CB-CD1 4.3Å; L35-L49 HydrophobicContact CD2-CD1 4.46Å; E37-L49 HydrophobicContact CG-CD1 3.48Å; E37-L49 VanDerWaalsContact CG-CD1 3.48Å |
| 50 | L | 80.5 | Confident | 68.2 | Low | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.026 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.9 | 174.5 | -56.8 | 177.1 | 0 | 0 | 0 | 108.7 | V36 V38 I171 N176 V177 L180 | V36-L50 HydrophobicContact CB-CB 4.29Å; V36-L50 PolarHBondContact N-O 2.98Å; V36-L50 PolarHBondContact O-N 3.19Å; V38-L50 HydrophobicContact CG2-CD1 3.99Å; L50-I171 HydrophobicContact CB-CD1 4.03Å; L50-I171 HydrophobicContact CB-CG2 4.28Å; L50-I171 HydrophobicContact CD1-CD1 4.16Å; L50-N176 HydrophobicContact CD2-CB 3.56Å; L50-V177 HydrophobicContact CD1-CG2 4.31Å; L50-V177 HydrophobicContact CD2-CG2 3.81Å; L50-L180 HydrophobicContact CD1-CD2 3.85Å |
| 51 | Q | 78.8 | Confident | 65.5 | Low | 128 Ų | 128 | 82.9 Ų | 82.9 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.8 | 176.5 | -175 | 177.5 | -5.1 | 0 | 0 | 109.1 | V33 L35 | V33-Q51 HydrophobicContact CG1-CG 3.74Å; L35-Q51 HydrophobicContact CD2-CB 4.32Å; L35-Q51 HydrophobicContact CD2-CG 4.2Å |
| 52 | G | 76.3 | Confident | 63.2 | Low | 5 Ų | 5 | 86.4 Ų | 86.4 | 5% | 0.052 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 155.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V33 A34 V170 | V33-G52 WeakPolarHBondContact CG1-O 3.34Å; A34-G52 PolarHBondContact N-O 3.38Å; A34-G52 PolarHBondContact O-N 2.87Å; G52-V170 CarbonylContact C-O 3.56Å; G52-V170 WeakPolarHBondContact CA-O 3.48Å |
| 53 | E | 71.6 | Confident | 61.2 | Low | 75 Ų | 75 | 85 Ų | 85 | 35% | 0.35 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 140.2 | 172.9 | -169.2 | -172.4 | 149.5 | 0 | 0 | 109.5 | I169 V170 | E53-I169 WeakPolarHBondContact O-CA 3.44Å; E53-V170 PolarHBondContact N-O 3.02Å; E53-V170 PolarHBondContact O-N 2.82Å |
| 54 | V | 73.5 | Confident | 59.4 | Low | 17 Ų | 17 | 84.2 Ų | 84.2 | 10% | 0.103 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.1 | 176.6 | -176.2 | 0 | 0 | 0 | 0 | 109 | Q32 A34 E56 Y196 | Q32-V54 HydrophobicContact CB-CB 4.42Å; Q32-V54 HydrophobicContact CG-CG2 4.33Å; Q32-V54 WeakPolarHBondContact O-CB 3.38Å; Q32-V54 PolarHBondContact O-N 3.04Å; A34-V54 HydrophobicContact CB-CG2 3.53Å; V54-E56 PolarHBondContact O-N 3.44Å; V54-E56 VanDerWaalsContact O-N 3.17Å; V54-Y196 HydrophobicContact CG2-CD1 3.91Å; V54-Y196 HydrophobicContact CG2-CE1 3.85Å |
| 55 | V | 70.5 | Confident | 58 | Low | 38 Ų | 38 | 88.5 Ų | 88.5 | 23% | 0.23 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 100.6 | 169.9 | -179.1 | 0 | 0 | 0 | 0 | 106.6 | S57 L159 I168 V170 | V55-S57 PolarHBondContact O-N 2.79Å; V55-L159 HydrophobicContact CG1-CD1 3.85Å; V55-I168 PolarHBondContact N-O 2.86Å; V55-V170 HydrophobicContact CG2-CG2 3.58Å |
| 56 | E | 60.6 | Low | 56.4 | Low | 135 Ų | 135 | 89.6 Ų | 89.6 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | trans | -53.1 | 122.9 | -174.6 | -74 | -170.8 | 160.9 | 0 | 0 | 111.7 | V54 | V54-E56 PolarHBondContact O-N 3.44Å; V54-E56 VanDerWaalsContact O-N 3.17Å | ||
| 57 | S | 49.9 | Very low | 54.5 | Low | 14 Ų | 14 | 96 Ų | 96 | 10% | 0.098 | 53% | 0.525 | C | S | . | . | trans | -83.8 | 131.9 | 151.3 | 70.3 | 0 | 0 | 0 | 0 | 106.7 | V55 R59 | V55-S57 PolarHBondContact O-N 2.79Å; S57-R59 VanDerWaalsContact C-N 3.32Å; S57-R59 PolarHBondContact O-N 3.09Å | ||
| 58 | S | 41 | Very low | 52.4 | Low | 125 Ų | 125 | 100 Ų | 100 | 87% | 0.874 | 54% | 0.541 | S | S | * | . | trans | -51.3 | 94.7 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | G60 | S58-G60 PolarHBondContact O-N 3.5Š| ||
| 59 | R | 46 | Very low | 50.4 | Low | 150 Ų | 150 | 106.7 Ų | 106.7 | 57% | 0.566 | 57% | 0.57 | S | S | * | * | trans | -73.7 | 101.8 | 170.5 | -90.3 | -180 | 162.9 | -158.4 | -8.5 | 105.9 | S57 S61 E73 | S57-R59 VanDerWaalsContact C-N 3.32Å; S57-R59 PolarHBondContact O-N 3.09Å; R59-S61 PolarHBondContact O-N 3.42Å; R59-S61 VanDerWaalsContact O-N 3.16Å; R59-E73 IonicContact CZ-OE2 2.69Å; R59-E73 IonicContact NH1-OE2 3.51Å; R59-E73 PolarHBondContact NH1-OE2 3.43Å; R59-E73 IonicContact NH2-OE2 2.78Å; R59-E73 PolarHBondContact NH2-OE2 3.01Å | ||
| 60 | G | 33.5 | Very low | 48.4 | Very low | 63 Ų | 63 | 111.9 Ų | 111.9 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | trans | -48.3 | 123.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | S58 K62 | S58-G60 PolarHBondContact O-N 3.5Å; G60-K62 VanDerWaalsContact C-N 3.34Å; G60-K62 PolarHBondContact O-N 2.69Å | ||
| 61 | S | 28.6 | Very low | 46.7 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | trans | -54.4 | 92.6 | 178.7 | -32.9 | 0 | 0 | 0 | 0 | 109.5 | R59 S63 | R59-S61 PolarHBondContact O-N 3.42Å; R59-S61 VanDerWaalsContact O-N 3.16Å; S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 3.37Å; S61-S63 VanDerWaalsContact O-N 3.13Å | ||
| 62 | K | 30 | Very low | 45.5 | Very low | 201 Ų | 201 | 119.2 Ų | 119.2 | 87% | 0.874 | 63% | 0.626 | S | S | * | * | trans | -82.3 | 89.1 | 167.2 | -83.8 | -173.7 | 177.6 | 177.4 | 0 | 107.8 | G60 S64 | G60-K62 VanDerWaalsContact C-N 3.34Å; G60-K62 PolarHBondContact O-N 2.69Å; K62-S64 PolarHBondContact O-N 2.78Å | ||
| 63 | S | 33.3 | Very low | 44.8 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 65% | 0.649 | S | S | * | * | trans | -67.9 | 104.4 | 158.5 | 55.8 | 0 | 0 | 0 | 0 | 108.5 | S61 | S61-S63 VanDerWaalsContact C-N 3.32Å; S61-S63 PolarHBondContact O-N 3.37Å; S61-S63 VanDerWaalsContact O-N 3.13Å | ||
| 64 | S | 30.9 | Very low | 44.8 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -151.6 | 102.2 | 156 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | K62 T66 | K62-S64 PolarHBondContact O-N 2.78Å; S64-T66 PolarHBondContact O-N 2.99Å | ||
| 65 | E | 36.1 | Very low | 45.3 | Very low | 186 Ų | 186 | 126.9 Ų | 126.9 | 87% | 0.869 | 66% | 0.661 | S | S | * | * | trans | -50.3 | 121 | 162.4 | -61.5 | 169.4 | 121.3 | 0 | 0 | 109.5 | ||||
| 66 | T | 30.1 | Very low | 46.2 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | 166.4 | 119 | 118.6 | 31 | 0 | 0 | 0 | 0 | 111.5 | S64 | S64-T66 PolarHBondContact O-N 2.99Š| |||
| 67 | R | 34.4 | Very low | 47.5 | Very low | 221 Ų | 221 | 124.7 Ų | 124.7 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | trans | 60.6 | 108.2 | 143.1 | -69.7 | -177.8 | 175 | 176 | -1.8 | 119.5 | ||||
| 68 | N | 32 | Very low | 49.3 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 77% | 0.765 | 66% | 0.655 | S | S | * | * | 136.7 | 123.6 | 117.8 | -76.3 | -15.6 | 0 | 0 | 0 | 110.4 | |||||
| 69 | E | 38.8 | Very low | 51.6 | Low | 178 Ų | 178 | 120.4 Ų | 120.4 | 83% | 0.832 | 62% | 0.616 | S | S | * | * | trans | 63.9 | 127.3 | 168.3 | -62.9 | 172.6 | -173.6 | 0 | 0 | 115.4 | E71 | E69-E71 PolarHBondContact O-N 2.83Š| ||
| 70 | E | 40.9 | Very low | 53.6 | Low | 200 Ų | 200 | 114.4 Ų | 114.4 | 94% | 0.935 | 60% | 0.596 | S | S | * | * | trans | -65.4 | 74.5 | 171 | -66.9 | 165.1 | 164.9 | 0 | 0 | 108.5 | E72 | E70-E72 PolarHBondContact O-N 3.33Š| ||
| 71 | E | 43.7 | Very low | 56.1 | Low | 169 Ų | 169 | 113.1 Ų | 113.1 | 79% | 0.79 | 57% | 0.574 | S | S | * | * | trans | -70.8 | 90.7 | 158.2 | -74.6 | -175.6 | 168.5 | 0 | 0 | 105.9 | E69 E73 | E69-E71 PolarHBondContact O-N 2.83Å; E71-E73 PolarHBondContact O-N 3.47Å; E71-E73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | E | 53.3 | Low | 58.8 | Low | 119 Ų | 119 | 108 Ų | 108 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | trans | -43.4 | 120.1 | 151.8 | -72.5 | 177.4 | 166.9 | 0 | 0 | 106.4 | E70 Q74 | E70-E72 PolarHBondContact O-N 3.33Å; E72-Q74 HydrophobicContact CB-CG 4.17Å; E72-Q74 WeakPolarHBondContact O-CG 3.14Å; E72-Q74 PolarHBondContact O-N 2.84Å; E72-Q74 PolarHBondContact OE2-NE2 3.17Å | ||
| 73 | E | 62.5 | Low | 61 | Low | 114 Ų | 114 | 99.7 Ų | 99.7 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | trans | -66.6 | 83.4 | 178.5 | -76.6 | -176.5 | 162.8 | 0 | 0 | 108.8 | R59 E71 L75 | R59-E73 IonicContact CZ-OE2 2.69Å; R59-E73 IonicContact NH1-OE2 3.51Å; R59-E73 PolarHBondContact NH1-OE2 3.43Å; R59-E73 IonicContact NH2-OE2 2.78Å; R59-E73 PolarHBondContact NH2-OE2 3.01Å; E71-E73 PolarHBondContact O-N 3.47Å; E71-E73 VanDerWaalsContact O-N 3.08Å; E73-L75 PolarHBondContact O-N 3.41Å | ||
| 74 | Q | 72.2 | Confident | 62.5 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 43% | 0.425 | 50% | 0.497 | S | S | . | . | trans | -79.1 | 118.9 | 178.1 | -65.6 | -178.7 | 4.3 | 0 | 0 | 107.9 | E72 I194 T195 | E72-Q74 HydrophobicContact CB-CG 4.17Å; E72-Q74 WeakPolarHBondContact O-CG 3.14Å; E72-Q74 PolarHBondContact O-N 2.84Å; E72-Q74 PolarHBondContact OE2-NE2 3.17Å; Q74-I194 WeakPolarHBondContact CA-O 3.27Å; Q74-T195 HydrophobicContact CG-CG2 4.16Å | ||
| 75 | L | 83.8 | Confident | 63.8 | Low | 52 Ų | 52 | 100.9 Ų | 100.9 | 27% | 0.272 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.1 | 173.8 | -72.7 | 167.3 | 0 | 0 | 0 | 109 | E73 P167 I194 Y196 | E73-L75 PolarHBondContact O-N 3.41Å; L75-P167 HydrophobicContact CD1-CG 3.59Å; L75-I194 HydrophobicContact CB-CB 4.25Å; L75-I194 HydrophobicContact CB-CD1 4.32Å; L75-I194 PolarHBondContact N-O 2.98Å; L75-I194 PolarHBondContact O-N 2.54Å; L75-Y196 HydrophobicContact CD1-CE2 4.23Å; L75-Y196 WeakPolarHBondContact CD1-OH 3.36Å |
| 76 | E | 88.1 | Confident | 64.4 | Low | 122 Ų | 122 | 95.9 Ų | 95.9 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.6 | 177.5 | -172.6 | 174.8 | 175 | 0 | 0 | 110.4 | P103 A192 | E76-P103 WeakPolarHBondContact O-CG 3.44Å; E76-A192 WeakPolarHBondContact CA-O 3.45Å |
| 77 | G | 88.2 | Confident | 65.4 | Low | 5 Ų | 5 | 94.2 Ų | 94.2 | 5% | 0.052 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 165.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P103 A192 | G77-P103 CarbonylContact C-O 3.56Å; G77-P103 WeakPolarHBondContact CA-O 3.06Å; G77-A192 PolarHBondContact N-O 2.96Å; G77-A192 VanDerWaalsContact N-O 3.08Å; G77-A192 PolarHBondContact O-N 3.34Å |
| 78 | N | 88.9 | Confident | 66.3 | Low | 38 Ų | 38 | 90 Ų | 90 | 20% | 0.203 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 130.7 | 176.1 | -69.3 | -41 | 0 | 0 | 0 | 110.8 | E102 P103 W104 I105 T191 | N78-E102 PolarHBondContact ND2-OE2 3.36Å; N78-P103 PolarHBondContact N-O 2.8Å; N78-W104 HydrophobicContact CB-CB 4.41Å; N78-W104 CarbonylContact O-C 3.51Å; N78-W104 VanDerWaalsContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CB 3.47Å; N78-I105 PolarHBondContact O-N 3.42Å; N78-T191 WeakPolarHBondContact OD1-CG2 3.27Å |
| 79 | L | 88.1 | Confident | 67.3 | Low | 12 Ų | 12 | 85.2 Ų | 85.2 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.5 | 175.4 | -69.2 | 175 | 0 | 0 | 0 | 110.8 | V38 I105 V107 I145 L180 L184 A190 A192 | V38-L79 HydrophobicContact CB-CD1 4.48Å; V38-L79 HydrophobicContact CG1-CD1 3.56Å; V38-L79 HydrophobicContact CG2-CD1 4.12Å; L79-I105 HydrophobicContact CD2-CB 4.07Å; L79-I105 HydrophobicContact CD2-CG2 4Å; L79-V107 HydrophobicContact CB-CG2 4.21Å; L79-V107 HydrophobicContact CD2-CG2 3.61Å; L79-V107 HydrophobicContact CG-CG2 4.4Å; L79-I145 HydrophobicContact CD2-CD1 3.87Å; L79-L180 HydrophobicContact CD1-CD1 4.11Å; L79-L180 HydrophobicContact CD1-CD2 4.18Å; L79-L184 HydrophobicContact CB-CD2 4.27Å; L79-A190 HydrophobicContact CB-CB 4.3Å; L79-A190 HydrophobicContact CD1-CB 3.9Å; L79-A190 PolarHBondContact N-O 3.39Å; L79-A192 HydrophobicContact CD1-CB 3.97Å; L79-A192 HydrophobicContact CD2-CB 3.59Å; L79-A192 HydrophobicContact CG-CB 3.73Å |
| 80 | V | 88.4 | Confident | 67.7 | Low | 24 Ų | 24 | 81.2 Ų | 81.2 | 15% | 0.145 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 124.1 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | V82 W104 I105 V107 | V80-V82 PolarHBondContact O-N 3.31Å; V80-W104 HydrophobicContact CB-CE3 3.6Å; V80-W104 HydrophobicContact CB-CZ3 3.88Å; V80-W104 HydrophobicContact CG1-CE3 4.37Å; V80-W104 HydrophobicContact CG1-CZ3 4.3Å; V80-W104 HydrophobicContact CG2-CB 4.13Å; V80-W104 HydrophobicContact CG2-CD2 4.26Å; V80-W104 HydrophobicContact CG2-CE3 3.74Å; V80-W104 HydrophobicContact CG2-CG 4.47Å; V80-W104 HydrophobicContact CG2-CZ3 4.46Å; V80-I105 PolarHBondContact N-O 3.13Å; V80-V107 PolarHBondContact O-N 2.8Å |
| 81 | L | 86.6 | Confident | 68 | Low | 36 Ų | 36 | 79.8 Ų | 79.8 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.4 | 175.9 | -167 | 73.6 | 0 | 0 | 0 | 110.2 | G83 V107 P109 L185 | L81-G83 PolarHBondContact O-N 2.85Å; L81-V107 HydrophobicContact CD1-CB 4.29Å; L81-V107 HydrophobicContact CD1-CG1 4.16Å; L81-P109 HydrophobicContact CD1-CG 3.91Å; L81-L185 HydrophobicContact CD2-CD2 3.43Å; L81-L185 VanDerWaalsContact CD2-CD2 3.43Å; L81-L185 HydrophobicContact CD2-CG 4.05Å |
| 82 | V | 84.4 | Confident | 68 | Low | 12 Ų | 12 | 74.9 Ų | 74.9 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | trans | -90.7 | 98.6 | -178.7 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | V80 W104 V107 V108 K132 A136 | V80-V82 PolarHBondContact O-N 3.31Å; V82-W104 HydrophobicContact CG2-CZ3 4.33Å; V82-V107 PolarHBondContact N-O 2.98Å; V82-V108 HydrophobicContact CB-CG2 4.16Å; V82-V108 HydrophobicContact CG2-CG2 4.34Å; V82-K132 HydrophobicContact CG1-CB 4.05Å; V82-A136 HydrophobicContact CG1-CB 4.26Å; V82-A136 HydrophobicContact CG2-CB 3.87Å | ||
| 83 | G | 75.4 | Confident | 67.3 | Low | 25 Ų | 25 | 81.5 Ų | 81.5 | 26% | 0.258 | 44% | 0.444 | S | S | . | . | trans | -89.3 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L81 D85 | L81-G83 PolarHBondContact O-N 2.85Å; G83-D85 VanDerWaalsContact C-N 3.34Å | ||
| 84 | D | 64.8 | Low | 66.2 | Low | 110 Ų | 110 | 83.2 Ų | 83.2 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -69.6 | -32.9 | 173.3 | -68.7 | -59.8 | 0 | 0 | 0 | 112 | K132 R135 | D84-K132 WeakPolarHBondContact OD1-CE 2.78Å; D84-K132 IonicContact OD1-NZ 3.31Å; D84-K132 PolarHBondContact OD1-NZ 2.88Å; D84-K132 WeakPolarHBondContact OD2-CE 3.28Å; D84-K132 IonicContact OD2-NZ 2.88Å; D84-K132 PolarHBondContact OD2-NZ 3.32Å; D84-R135 PolarHBondContact O-NH1 2.88Å |
| 85 | D | 58.3 | Low | 64.8 | Low | 138 Ų | 138 | 82.6 Ų | 82.6 | 74% | 0.738 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -88.9 | 152.4 | 174.6 | -69 | -34.8 | 0 | 0 | 0 | 112.1 | G83 T87 R135 | G83-D85 VanDerWaalsContact C-N 3.34Å; D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.06Å; D85-T87 PolarHBondContact O-OG1 2.97Å; D85-R135 PolarHBondContact O-NH1 2.86Å |
| 86 | A | 49.5 | Very low | 62.9 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | trans | -69.7 | 78.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q88 | A86-Q88 PolarHBondContact O-N 3.18Å; A86-Q88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | T | 50.6 | Low | 60.6 | Low | 88 Ų | 88 | 84.8 Ų | 84.8 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | trans | -78.2 | 93.4 | 165.7 | -31.8 | 0 | 0 | 0 | 0 | 107.3 | D85 | D85-T87 VanDerWaalsContact C-N 3.28Å; D85-T87 PolarHBondContact O-N 3.06Å; D85-T87 PolarHBondContact O-OG1 2.97Å | ||
| 88 | Q | 53 | Low | 58.9 | Low | 134 Ų | 134 | 88.4 Ų | 88.4 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | trans | -59.5 | 145.5 | 160.4 | -73.5 | -172.7 | -22.5 | 0 | 0 | 108.1 | A86 S90 | A86-Q88 PolarHBondContact O-N 3.18Å; A86-Q88 VanDerWaalsContact O-N 3.12Å; Q88-S90 PolarHBondContact O-N 3.28Å | ||
| 89 | P | 53.5 | Low | 56.9 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 27% | 0.273 | 57% | 0.57 | S | S | . | * | trans | -53.1 | 118.2 | 164.5 | 23.7 | -30.6 | 0 | 0 | 0 | 105.7 | E91 | P89-E91 PolarHBondContact O-N 2.88Š| ||
| 90 | S | 47.4 | Very low | 55.4 | Low | 94 Ų | 94 | 103.9 Ų | 103.9 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | trans | -56.7 | 102.1 | -174.7 | 46.6 | 0 | 0 | 0 | 0 | 108.5 | Q88 G92 | Q88-S90 PolarHBondContact O-N 3.28Å; S90-G92 PolarHBondContact O-N 3.31Å | ||
| 91 | E | 47.6 | Very low | 54.3 | Low | 169 Ų | 169 | 109.4 Ų | 109.4 | 79% | 0.79 | 63% | 0.633 | S | S | * | * | trans | -56.4 | 109 | 166.8 | -77.4 | -175.8 | 146.2 | 0 | 0 | 105.8 | P89 R93 | P89-E91 PolarHBondContact O-N 2.88Å; E91-R93 PolarHBondContact O-N 3.14Å; E91-R93 VanDerWaalsContact O-N 3.15Å | ||
| 92 | G | 43 | Very low | 53.9 | Low | 66 Ų | 66 | 113.7 Ų | 113.7 | 68% | 0.68 | 65% | 0.652 | S | S | * | * | trans | -52.2 | 123.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | S90 D94 | S90-G92 PolarHBondContact O-N 3.31Å; G92-D94 PolarHBondContact O-N 3.37Å | ||
| 93 | R | 39.8 | Very low | 53.9 | Low | 258 Ų | 258 | 116.3 Ų | 116.3 | 97% | 0.974 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -64.6 | 82.1 | 176.1 | -169.6 | -178.2 | -167.2 | 178 | 3.4 | 108.4 | E91 | E91-R93 PolarHBondContact O-N 3.14Å; E91-R93 VanDerWaalsContact O-N 3.15Å |
| 94 | D | 39.4 | Very low | 54.6 | Low | 150 Ų | 150 | 115.8 Ų | 115.8 | 80% | 0.802 | 66% | 0.66 | S | S | * | * | trans | -137.5 | 125.3 | 158.8 | -145.6 | 0.8 | 0 | 0 | 0 | 110.1 | G92 | G92-D94 PolarHBondContact O-N 3.37Š| ||
| 95 | G | 42.9 | Very low | 55.8 | Low | 79 Ų | 79 | 110.7 Ų | 110.7 | 81% | 0.814 | 63% | 0.632 | S | S | * | * | trans | -80.8 | 124.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 96 | G | 42.5 | Very low | 57.3 | Low | 65 Ų | 65 | 104.1 Ų | 104.1 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | trans | 129.2 | 126.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 97 | N | 40 | Very low | 59.1 | Low | 154 Ų | 154 | 100.3 Ų | 100.3 | 82% | 0.824 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 92.3 | 84.7 | 154.8 | -151.8 | 39.7 | 0 | 0 | 0 | 116.7 | D99 | N97-D99 PolarHBondContact O-N 3.04Å; N97-D99 VanDerWaalsContact O-N 3.08Å |
| 98 | G | 52.5 | Low | 60.9 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 84% | 0.835 | 54% | 0.54 | S | S | * | . | trans | 43.4 | 54.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R100 | G98-R100 PolarHBondContact O-N 2.69Š| ||
| 99 | D | 47.8 | Very low | 62.2 | Low | 141 Ų | 141 | 90.6 Ų | 90.6 | 75% | 0.754 | 52% | 0.516 | S | S | * | . | trans | -66.8 | 121.4 | -171.9 | -94.3 | -30.1 | 0 | 0 | 0 | 111.7 | N97 Q101 | N97-D99 PolarHBondContact O-N 3.04Å; N97-D99 VanDerWaalsContact O-N 3.08Å; D99-Q101 PolarHBondContact O-N 3.05Å; D99-Q101 VanDerWaalsContact O-N 3.08Å | ||
| 100 | R | 56.3 | Low | 63.3 | Low | 235 Ų | 235 | 89.1 Ų | 89.1 | 89% | 0.887 | 51% | 0.506 | S | S | * | . | trans | -63.7 | 106.2 | 156.7 | -77.6 | 177.2 | 159 | -170.5 | -6.4 | 106.1 | G98 E102 | G98-R100 PolarHBondContact O-N 2.69Å; R100-E102 PolarHBondContact O-N 2.87Å; R100-E102 VanDerWaalsContact O-N 3.1Å | ||
| 101 | Q | 66.1 | Low | 64.3 | Low | 139 Ų | 139 | 90.5 Ų | 90.5 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 119.1 | 176 | -154.6 | 166.6 | 17 | 0 | 0 | 108.9 | D99 | D99-Q101 PolarHBondContact O-N 3.05Å; D99-Q101 VanDerWaalsContact O-N 3.08Å |
| 102 | E | 77.3 | Confident | 64.6 | Low | 126 Ų | 126 | 87.4 Ų | 87.4 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -58 | 138.3 | 179.5 | -69.1 | -177.1 | 167 | 0 | 0 | 109.6 | N78 R100 W104 | N78-E102 PolarHBondContact ND2-OE2 3.36Å; R100-E102 PolarHBondContact O-N 2.87Å; R100-E102 VanDerWaalsContact O-N 3.1Å; E102-W104 PolarHBondContact O-N 2.82Å |
| 103 | P | 84.9 | Confident | 64.9 | Low | 68 Ų | 68 | 88.2 Ų | 88.2 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 131.6 | 177.9 | 25.7 | -33.2 | 0 | 0 | 0 | 109.5 | E76 G77 N78 S142 | E76-P103 WeakPolarHBondContact O-CG 3.44Å; G77-P103 CarbonylContact C-O 3.56Å; G77-P103 WeakPolarHBondContact CA-O 3.06Å; N78-P103 PolarHBondContact N-O 2.8Å; P103-S142 WeakPolarHBondContact CB-OG 3.25Å |
| 104 | W | 89.8 | Confident | 65.2 | Low | 14 Ų | 14 | 82.8 Ų | 82.8 | 5% | 0.053 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.1 | 179.9 | 72.6 | -86 | 0 | 0 | 0 | 110.7 | N78 V80 V82 E102 A136 L139 A141 S142 | N78-W104 HydrophobicContact CB-CB 4.41Å; N78-W104 CarbonylContact O-C 3.51Å; N78-W104 VanDerWaalsContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CA 3.24Å; N78-W104 WeakPolarHBondContact O-CB 3.47Å; V80-W104 HydrophobicContact CB-CE3 3.6Å; V80-W104 HydrophobicContact CB-CZ3 3.88Å; V80-W104 HydrophobicContact CG1-CE3 4.37Å; V80-W104 HydrophobicContact CG1-CZ3 4.3Å; V80-W104 HydrophobicContact CG2-CB 4.13Å; V80-W104 HydrophobicContact CG2-CD2 4.26Å; V80-W104 HydrophobicContact CG2-CE3 3.74Å; V80-W104 HydrophobicContact CG2-CG 4.47Å; V80-W104 HydrophobicContact CG2-CZ3 4.46Å; V82-W104 HydrophobicContact CG2-CZ3 4.33Å; E102-W104 PolarHBondContact O-N 2.82Å; W104-A136 HydrophobicContact CH2-CB 3.97Å; W104-L139 HydrophobicContact CH2-CB 4.32Å; W104-L139 HydrophobicContact CZ2-CB 3.67Å; W104-L139 PolarHBondContact NE1-O 2.94Å; W104-A141 HydrophobicContact CD2-CB 4.12Å; W104-A141 HydrophobicContact CE3-CB 4.11Å; W104-A141 HydrophobicContact CH2-CB 3.67Å; W104-A141 HydrophobicContact CZ2-CB 3.6Å; W104-A141 HydrophobicContact CZ3-CB 3.92Å; W104-A141 CarbonylContact O-C 3.12Å; W104-S142 PolarHBondContact O-N 3.16Å |
| 105 | I | 90.4 | Very high | 65.5 | Low | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.1 | -176.3 | -62 | 167 | 0 | 0 | 0 | 107.5 | N78 L79 V80 A143 I145 A192 I194 | N78-I105 PolarHBondContact O-N 3.42Å; L79-I105 HydrophobicContact CD2-CB 4.07Å; L79-I105 HydrophobicContact CD2-CG2 4Å; V80-I105 PolarHBondContact N-O 3.13Å; I105-A143 WeakPolarHBondContact CA-O 3.3Å; I105-A143 HydrophobicContact CG1-CB 4.23Å; I105-A143 HydrophobicContact CG2-CB 4.18Å; I105-I145 HydrophobicContact CG2-CD1 3.69Å; I105-I145 HydrophobicContact CG2-CG1 3.8Å; I105-A192 HydrophobicContact CD1-CB 4.08Å; I105-I194 HydrophobicContact CD1-CD1 3.78Å; I105-I194 HydrophobicContact CD1-CG1 4.46Å |
| 106 | G | 88.4 | Confident | 65.6 | Low | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A143 L144 I145 | G106-A143 PolarHBondContact N-O 3.13Å; G106-L144 CarbonylContact O-C 3.49Å; G106-L144 WeakPolarHBondContact O-CA 3.41Å; G106-I145 PolarHBondContact O-N 3.16Å |
| 107 | V | 88.8 | Confident | 65.5 | Low | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.006 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.1 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | L79 V80 L81 V82 I145 L147 L184 | L79-V107 HydrophobicContact CB-CG2 4.21Å; L79-V107 HydrophobicContact CD2-CG2 3.61Å; L79-V107 HydrophobicContact CG-CG2 4.4Å; V80-V107 PolarHBondContact O-N 2.8Å; L81-V107 HydrophobicContact CD1-CB 4.29Å; L81-V107 HydrophobicContact CD1-CG1 4.16Å; V82-V107 PolarHBondContact N-O 2.98Å; V107-I145 CarbonylContact C-O 3.57Å; V107-I145 WeakPolarHBondContact CA-O 3.49Å; V107-I145 HydrophobicContact CG2-CB 4.49Å; V107-L147 HydrophobicContact CG1-CD1 3.42Å; V107-L147 VanDerWaalsContact CG1-CD1 3.42Å; V107-L147 HydrophobicContact CG1-CG 3.88Å; V107-L184 HydrophobicContact CB-CD1 4.48Å; V107-L184 HydrophobicContact CG2-CD1 4.27Å |
| 108 | V | 86.6 | Confident | 65.7 | Low | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 105.2 | 179.2 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | V82 V129 K132 M133 I145 L147 | V82-V108 HydrophobicContact CB-CG2 4.16Å; V82-V108 HydrophobicContact CG2-CG2 4.34Å; V108-V129 HydrophobicContact CG1-CG1 4.21Å; V108-K132 HydrophobicContact CG1-CB 4.14Å; V108-K132 HydrophobicContact CG1-CD 4.24Å; V108-M133 HydrophobicContact CG2-CG 4.34Å; V108-I145 PolarHBondContact N-O 2.97Å; V108-L147 PolarHBondContact O-N 2.94Å |
| 109 | P | 81.6 | Confident | 65.2 | Low | 19 Ų | 19 | 84.3 Ų | 84.3 | 12% | 0.123 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 133 | 173.2 | 31.7 | -33.6 | 0 | 0 | 0 | 110.2 | L81 | L81-P109 HydrophobicContact CD1-CG 3.91Å |
| 110 | V | 76.8 | Confident | 65 | Low | 11 Ų | 11 | 81.8 Ų | 81.8 | 7% | 0.067 | 46% | 0.456 | C | S | . | . | trans | -98.4 | 88.8 | 173.6 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | F125 I146 L147 A148 | V110-F125 HydrophobicContact CG1-CE1 3.68Å; V110-F125 HydrophobicContact CG1-CZ 3.43Å; V110-F125 VanDerWaalsContact CG1-CZ 3.43Å; V110-I146 HydrophobicContact CG2-CG2 3.57Å; V110-L147 WeakPolarHBondContact CB-O 2.97Å; V110-L147 WeakPolarHBondContact CG2-O 3.49Å; V110-L147 PolarHBondContact N-O 3.34Å; V110-A148 HydrophobicContact CG2-CB 4.37Å | ||
| 111 | E | 67.4 | Low | 64.6 | Low | 123 Ų | 123 | 75.9 Ų | 75.9 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | trans | -84 | 125 | 177 | -65.3 | -177.8 | 170.6 | 0 | 0 | 110.1 | D113 F125 | E111-D113 PolarHBondContact O-N 2.78Å; E111-F125 VanDerWaalsContact O-CE2 3.26Å; E111-F125 WeakPolarHBondContact O-CE2 3.24Å | ||
| 112 | M | 54.3 | Low | 63.9 | Low | 103 Ų | 103 | 77.5 Ų | 77.5 | 51% | 0.507 | 45% | 0.45 | S | S | . | . | trans | -82.5 | 101.1 | 166.6 | -69.7 | -169 | -178.3 | 0 | 0 | 108.2 | D114 L149 | M112-D114 PolarHBondContact O-N 3.29Å; M112-D114 VanDerWaalsContact O-N 3.07Å; M112-L149 HydrophobicContact CB-CD1 4.47Å; M112-L149 HydrophobicContact CG-CD1 4.11Å | ||
| 113 | D | 49.7 | Very low | 62.6 | Low | 84 Ų | 84 | 79.6 Ų | 79.6 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | trans | -76.8 | 88.4 | 174 | -128.7 | -2 | 0 | 0 | 0 | 108.3 | E111 S115 K116 | E111-D113 PolarHBondContact O-N 2.78Å; D113-S115 PolarHBondContact O-N 3.11Å; D113-K116 PolarHBondContact O-N 2.94Å; D113-K116 VanDerWaalsContact O-N 3.13Å; D113-K116 IonicContact OD2-NZ 3.11Å; D113-K116 PolarHBondContact OD2-NZ 3.24Å | ||
| 114 | D | 45.3 | Very low | 61.6 | Low | 143 Ų | 143 | 78.9 Ų | 78.9 | 77% | 0.765 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -56.9 | -17.6 | 176.9 | -72.8 | -28.2 | 0 | 0 | 0 | 112.5 | M112 K116 | M112-D114 PolarHBondContact O-N 3.29Å; M112-D114 VanDerWaalsContact O-N 3.07Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 3.49Å |
| 115 | S | 46.4 | Very low | 60.6 | Low | 106 Ų | 106 | 82 Ų | 82 | 74% | 0.741 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -77.3 | -12.3 | -178.9 | -44.7 | 0 | 0 | 0 | 0 | 114.5 | D113 | D113-S115 PolarHBondContact O-N 3.11Š|
| 116 | K | 44.1 | Very low | 59.6 | Low | 153 Ų | 153 | 83.9 Ų | 83.9 | 67% | 0.665 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -118.4 | 14.9 | -176.4 | -71.1 | -179.6 | -175.1 | 152.4 | 0 | 114.1 | D113 D114 S118 | D113-K116 PolarHBondContact O-N 2.94Å; D113-K116 VanDerWaalsContact O-N 3.13Å; D113-K116 IonicContact OD2-NZ 3.11Å; D113-K116 PolarHBondContact OD2-NZ 3.24Å; D114-K116 VanDerWaalsContact C-N 3.34Å; D114-K116 PolarHBondContact O-N 3.49Å; K116-S118 PolarHBondContact O-N 2.69Å; K116-S118 VanDerWaalsContact O-N 3.16Å |
| 117 | A | 41.3 | Very low | 58.8 | Low | 92 Ų | 92 | 88.4 Ų | 88.4 | 76% | 0.76 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 16.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 118 | S | 44.6 | Very low | 58.2 | Low | 104 Ų | 104 | 90.2 Ų | 90.2 | 73% | 0.727 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 1.8 | -176 | 59.4 | 0 | 0 | 0 | 0 | 116 | K116 | K116-S118 PolarHBondContact O-N 2.69Å; K116-S118 VanDerWaalsContact O-N 3.16Å |
| 119 | T | 41.9 | Very low | 57.8 | Low | 107 Ų | 107 | 90.6 Ų | 90.6 | 66% | 0.656 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -152.8 | 104.2 | 175 | 24.8 | 0 | 0 | 0 | 0 | 112.1 | N121 | T119-N121 VanDerWaalsContact C-N 3.27Å; T119-N121 VanDerWaalsContact O-CB 3.25Å; T119-N121 WeakPolarHBondContact O-CB 3.44Å; T119-N121 PolarHBondContact O-N 2.67Å |
| 120 | G | 43 | Very low | 57.6 | Low | 88 Ų | 88 | 90.6 Ų | 90.6 | 91% | 0.907 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 54.1 | 3.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||
| 121 | N | 48.4 | Very low | 57.7 | Low | 110 Ų | 110 | 94.5 Ų | 94.5 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | trans | -111.4 | 34 | -156.1 | -99 | 27.8 | 0 | 0 | 0 | 115.7 | T119 E123 S124 | T119-N121 VanDerWaalsContact C-N 3.27Å; T119-N121 VanDerWaalsContact O-CB 3.25Å; T119-N121 WeakPolarHBondContact O-CB 3.44Å; T119-N121 PolarHBondContact O-N 2.67Å; N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 2.83Å; N121-S124 VanDerWaalsContact CB-OG 3.3Å; N121-S124 WeakPolarHBondContact CB-OG 3.41Å; N121-S124 PolarHBondContact ND2-OG 2.77Å; N121-S124 WeakPolarHBondContact O-CB 3.08Å; N121-S124 PolarHBondContact O-N 3.06Å; N121-S124 PolarHBondContact O-OG 2.78Å | ||
| 122 | Q | 50.9 | Low | 58.4 | Low | 174 Ų | 174 | 90.5 Ų | 90.5 | 81% | 0.813 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.8 | -31 | 179.2 | -157.9 | 150.7 | -3.9 | 0 | 0 | 112.5 | S124 F125 | Q122-S124 VanDerWaalsContact C-N 3.29Å; Q122-S124 PolarHBondContact O-N 3.48Å; Q122-F125 PolarHBondContact O-N 3.08Å |
| 123 | E | 51.1 | Low | 59.6 | Low | 169 Ų | 169 | 85.7 Ų | 85.7 | 79% | 0.79 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -29.7 | 169.8 | -71 | -177.7 | 160 | 0 | 0 | 112.6 | N121 F125 D127 | N121-E123 VanDerWaalsContact C-N 3.27Å; N121-E123 PolarHBondContact O-N 2.83Å; E123-F125 PolarHBondContact O-N 2.81Å; E123-D127 PolarHBondContact O-N 2.92Å |
| 124 | S | 63.6 | Low | 61 | Low | 54 Ų | 54 | 85.7 Ų | 85.7 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.8 | -25.9 | -179 | 80.1 | 0 | 0 | 0 | 0 | 114.2 | N121 Q122 A128 | N121-S124 VanDerWaalsContact CB-OG 3.3Å; N121-S124 WeakPolarHBondContact CB-OG 3.41Å; N121-S124 PolarHBondContact ND2-OG 2.77Å; N121-S124 WeakPolarHBondContact O-CB 3.08Å; N121-S124 PolarHBondContact O-N 3.06Å; N121-S124 PolarHBondContact O-OG 2.78Å; Q122-S124 VanDerWaalsContact C-N 3.29Å; Q122-S124 PolarHBondContact O-N 3.48Å; S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 3.37Å |
| 125 | F | 68.1 | Low | 62.6 | Low | 78 Ų | 78 | 83.7 Ų | 83.7 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.6 | -47.4 | -177.6 | -179.5 | -100 | 0 | 0 | 0 | 111.4 | V110 E111 Q122 E123 D127 A128 V129 | V110-F125 HydrophobicContact CG1-CE1 3.68Å; V110-F125 HydrophobicContact CG1-CZ 3.43Å; V110-F125 VanDerWaalsContact CG1-CZ 3.43Å; E111-F125 VanDerWaalsContact O-CE2 3.26Å; E111-F125 WeakPolarHBondContact O-CE2 3.24Å; Q122-F125 PolarHBondContact O-N 3.08Å; E123-F125 PolarHBondContact O-N 2.81Å; F125-D127 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 3Å; F125-A128 WeakPolarHBondContact O-CB 3.18Å; F125-A128 PolarHBondContact O-N 3.46Å; F125-A128 VanDerWaalsContact O-N 3.17Å; F125-V129 HydrophobicContact CE1-CG2 4.15Å; F125-V129 HydrophobicContact CZ-CG2 4.23Å; F125-V129 WeakPolarHBondContact O-CG2 3.29Å; F125-V129 PolarHBondContact O-N 3.41Å; F125-V129 VanDerWaalsContact O-N 3.09Å |
| 126 | A | 69.2 | Low | 64.4 | Low | 42 Ų | 42 | 78.7 Ų | 78.7 | 35% | 0.347 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | A128 V129 V130 | A126-A128 VanDerWaalsContact C-N 3.35Å; A126-A128 PolarHBondContact O-N 3.44Å; A126-V129 PolarHBondContact O-N 2.7Å; A126-V130 WeakPolarHBondContact O-CB 3.29Å; A126-V130 VanDerWaalsContact O-CG2 3.24Å; A126-V130 WeakPolarHBondContact O-CG2 3.45Å; A126-V130 PolarHBondContact O-N 3.43Å |
| 127 | D | 72.1 | Confident | 66.2 | Low | 96 Ų | 96 | 73.1 Ų | 73.1 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | 175.5 | -80.5 | -21.7 | 0 | 0 | 0 | 113 | E123 F125 V130 N131 | E123-D127 PolarHBondContact O-N 2.92Å; F125-D127 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 3Å; D127-V130 PolarHBondContact O-N 3.35Å; D127-N131 VanDerWaalsContact O-CB 3.24Å; D127-N131 WeakPolarHBondContact O-CB 3.43Å; D127-N131 PolarHBondContact O-N 3.46Å; D127-N131 PolarHBondContact O-ND2 2.84Å |
| 128 | A | 76.6 | Confident | 68.1 | Low | 38 Ų | 38 | 75 Ų | 75 | 31% | 0.314 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S124 F125 A126 N131 K132 | S124-A128 WeakPolarHBondContact O-CB 3.48Å; S124-A128 PolarHBondContact O-N 3.37Å; F125-A128 WeakPolarHBondContact O-CB 3.18Å; F125-A128 PolarHBondContact O-N 3.46Å; F125-A128 VanDerWaalsContact O-N 3.17Å; A126-A128 VanDerWaalsContact C-N 3.35Å; A126-A128 PolarHBondContact O-N 3.44Å; A128-N131 PolarHBondContact O-N 3.19Å; A128-K132 WeakPolarHBondContact O-CG 3.34Å; A128-K132 PolarHBondContact O-N 2.83Å |
| 129 | V | 77 | Confident | 69.9 | Low | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.9 | 179 | 0 | 0 | 0 | 0 | 110.6 | V108 F125 A126 N131 K132 M133 M157 | V108-V129 HydrophobicContact CG1-CG1 4.21Å; F125-V129 HydrophobicContact CE1-CG2 4.15Å; F125-V129 HydrophobicContact CZ-CG2 4.23Å; F125-V129 WeakPolarHBondContact O-CG2 3.29Å; F125-V129 PolarHBondContact O-N 3.41Å; F125-V129 VanDerWaalsContact O-N 3.09Å; A126-V129 PolarHBondContact O-N 2.7Å; V129-N131 VanDerWaalsContact C-N 3.3Å; V129-N131 PolarHBondContact O-N 3.17Å; V129-K132 WeakPolarHBondContact O-CB 3.24Å; V129-K132 PolarHBondContact O-N 3.41Å; V129-M133 HydrophobicContact CG1-SD 4.08Å; V129-M133 VanDerWaalsContact O-CG 3.29Å; V129-M133 WeakPolarHBondContact O-CG 3.41Å; V129-M133 PolarHBondContact O-N 3.09Å; V129-M157 HydrophobicContact CB-CE 4.36Å; V129-M157 HydrophobicContact CG1-CE 3.69Å |
| 130 | V | 77.9 | Confident | 71.7 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -38.7 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | A126 D127 M133 K134 M157 V162 | A126-V130 WeakPolarHBondContact O-CB 3.29Å; A126-V130 VanDerWaalsContact O-CG2 3.24Å; A126-V130 WeakPolarHBondContact O-CG2 3.45Å; A126-V130 PolarHBondContact O-N 3.43Å; D127-V130 PolarHBondContact O-N 3.35Å; V130-M133 PolarHBondContact O-N 2.8Å; V130-K134 HydrophobicContact CG1-CD 4.07Å; V130-K134 HydrophobicContact CG1-CG 4.37Å; V130-K134 WeakPolarHBondContact O-CB 3.4Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.98Å; V130-M157 HydrophobicContact CG2-CB 4.37Å; V130-V162 HydrophobicContact CG1-CG2 4.46Å |
| 131 | N | 78.4 | Confident | 73.7 | Confident | 93 Ų | 93 | 66 Ų | 66 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 176.7 | -74.1 | -29.5 | 0 | 0 | 0 | 112.3 | D127 A128 V129 M133 K134 R135 | D127-N131 VanDerWaalsContact O-CB 3.24Å; D127-N131 WeakPolarHBondContact O-CB 3.43Å; D127-N131 PolarHBondContact O-N 3.46Å; D127-N131 PolarHBondContact O-ND2 2.84Å; A128-N131 PolarHBondContact O-N 3.19Å; V129-N131 VanDerWaalsContact C-N 3.3Å; V129-N131 PolarHBondContact O-N 3.17Å; N131-M133 VanDerWaalsContact C-N 3.34Å; N131-K134 PolarHBondContact O-N 2.86Å; N131-R135 WeakPolarHBondContact O-CB 3.43Å; N131-R135 PolarHBondContact O-N 3.02Å |
| 132 | K | 82.4 | Confident | 75.4 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 171.4 | -71.9 | 175.8 | -178.3 | -177.2 | 0 | 111.2 | V82 D84 V108 A128 V129 R135 A136 | V82-K132 HydrophobicContact CG1-CB 4.05Å; D84-K132 WeakPolarHBondContact OD1-CE 2.78Å; D84-K132 IonicContact OD1-NZ 3.31Å; D84-K132 PolarHBondContact OD1-NZ 2.88Å; D84-K132 WeakPolarHBondContact OD2-CE 3.28Å; D84-K132 IonicContact OD2-NZ 2.88Å; D84-K132 PolarHBondContact OD2-NZ 3.32Å; V108-K132 HydrophobicContact CG1-CB 4.14Å; V108-K132 HydrophobicContact CG1-CD 4.24Å; A128-K132 WeakPolarHBondContact O-CG 3.34Å; A128-K132 PolarHBondContact O-N 2.83Å; V129-K132 WeakPolarHBondContact O-CB 3.24Å; V129-K132 PolarHBondContact O-N 3.41Å; K132-R135 PolarHBondContact O-N 3.16Å; K132-A136 PolarHBondContact O-N 2.84Å |
| 133 | M | 80 | Confident | 77.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 177.3 | -65.4 | 170.4 | 75.1 | 0 | 0 | 112.1 | V108 V129 V130 N131 R135 A136 L137 L144 I146 M157 L159 I168 | V108-M133 HydrophobicContact CG2-CG 4.34Å; V129-M133 HydrophobicContact CG1-SD 4.08Å; V129-M133 VanDerWaalsContact O-CG 3.29Å; V129-M133 WeakPolarHBondContact O-CG 3.41Å; V129-M133 PolarHBondContact O-N 3.09Å; V130-M133 PolarHBondContact O-N 2.8Å; N131-M133 VanDerWaalsContact C-N 3.34Å; M133-R135 VanDerWaalsContact C-N 3.29Å; M133-R135 PolarHBondContact O-N 3.04Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-L137 WeakPolarHBondContact O-CG 3.09Å; M133-L137 PolarHBondContact O-N 3.27Å; M133-L144 HydrophobicContact CB-CD1 4.01Å; M133-L144 HydrophobicContact CE-CD1 4.23Å; M133-L144 HydrophobicContact CG-CD1 4.24Å; M133-I146 HydrophobicContact CE-CD1 3.61Å; M133-I146 HydrophobicContact CE-CG1 4.45Å; M133-I146 HydrophobicContact SD-CD1 3.89Å; M133-M157 HydrophobicContact CE-SD 4.35Å; M133-M157 HydrophobicContact SD-CE 4.23Å; M133-M157 HydrophobicContact SD-SD 4.07Å; M133-L159 HydrophobicContact CE-CD2 3.65Å; M133-L159 HydrophobicContact SD-CD2 4.29Å; M133-I168 HydrophobicContact CE-CD1 3.7Å; M133-I168 HydrophobicContact CE-CG1 4.41Å; M133-I168 HydrophobicContact CE-CG2 4.12Å |
| 134 | K | 79.1 | Confident | 78.8 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 37% | 0.365 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.4 | -45.3 | 176.2 | -76.9 | 173.9 | 179.3 | 171.2 | 0 | 111.2 | V130 N131 L137 V138 V162 | V130-K134 HydrophobicContact CG1-CD 4.07Å; V130-K134 HydrophobicContact CG1-CG 4.37Å; V130-K134 WeakPolarHBondContact O-CB 3.4Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.98Å; N131-K134 PolarHBondContact O-N 2.86Å; K134-L137 PolarHBondContact O-N 3.42Å; K134-V138 VanDerWaalsContact O-CG2 3.29Å; K134-V138 WeakPolarHBondContact O-CG2 3.5Å; K134-V138 PolarHBondContact O-N 2.91Å; K134-V162 HydrophobicContact CD-CG2 4.32Å; K134-V162 VanDerWaalsContact CE-CG2 3.42Å; K134-V162 HydrophobicContact CG-CG1 4.04Å; K134-V162 HydrophobicContact CG-CG2 3.93Å |
| 135 | R | 79 | Confident | 79.9 | Confident | 101 Ų | 101 | 43.9 Ų | 43.9 | 38% | 0.381 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 177.5 | 177.8 | -176.9 | -101.7 | -170.4 | 0.5 | 111.6 | D84 D85 N131 K132 M133 L137 V138 L139 | D84-R135 PolarHBondContact O-NH1 2.88Å; D85-R135 PolarHBondContact O-NH1 2.86Å; N131-R135 WeakPolarHBondContact O-CB 3.43Å; N131-R135 PolarHBondContact O-N 3.02Å; K132-R135 PolarHBondContact O-N 3.16Å; M133-R135 VanDerWaalsContact C-N 3.29Å; M133-R135 PolarHBondContact O-N 3.04Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 3.42Å; R135-V138 PolarHBondContact O-N 2.88Å; R135-L139 HydrophobicContact CG-CD1 3.94Å; R135-L139 HydrophobicContact CG-CG 4.43Å; R135-L139 WeakPolarHBondContact O-CG 3.47Å; R135-L139 PolarHBondContact O-N 3.24Å |
| 136 | A | 83.6 | Confident | 80.7 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V82 W104 K132 M133 L139 G140 A141 L144 | V82-A136 HydrophobicContact CG1-CB 4.26Å; V82-A136 HydrophobicContact CG2-CB 3.87Å; W104-A136 HydrophobicContact CH2-CB 3.97Å; K132-A136 PolarHBondContact O-N 2.84Å; M133-A136 PolarHBondContact O-N 2.85Å; A136-L139 PolarHBondContact O-N 3.08Å; A136-G140 PolarHBondContact O-N 3.13Å; A136-A141 HydrophobicContact CB-CB 4.36Å; A136-A141 VanDerWaalsContact O-CB 3.27Å; A136-A141 WeakPolarHBondContact O-CB 3.33Å; A136-A141 PolarHBondContact O-N 2.89Å; A136-A141 VanDerWaalsContact O-N 3.09Å; A136-L144 HydrophobicContact CB-CD2 3.55Å |
| 137 | L | 81.6 | Confident | 81.3 | Confident | 37 Ų | 37 | 38.4 Ų | 38.4 | 19% | 0.194 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 175.7 | -66.9 | 169 | 0 | 0 | 0 | 112.6 | M133 K134 R135 L139 G140 L144 V162 K166 | M133-L137 WeakPolarHBondContact O-CG 3.09Å; M133-L137 PolarHBondContact O-N 3.27Å; K134-L137 PolarHBondContact O-N 3.42Å; R135-L137 VanDerWaalsContact C-N 3.28Å; R135-L137 PolarHBondContact O-N 3.42Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 2.69Å; L137-G140 PolarHBondContact O-N 3.01Å; L137-L144 HydrophobicContact CD1-CD1 4.18Å; L137-L144 HydrophobicContact CD2-CD1 4Å; L137-L144 HydrophobicContact CD2-CG 4.29Å; L137-L144 HydrophobicContact CG-CD1 3.92Å; L137-V162 HydrophobicContact CD1-CG1 3.43Å; L137-V162 VanDerWaalsContact CD1-CG1 3.43Å; L137-K166 HydrophobicContact CD2-CB 4.03Å; L137-K166 HydrophobicContact CD2-CD 3.54Å; L137-K166 HydrophobicContact CD2-CG 4.42Å |
| 138 | V | 81.1 | Confident | 81.4 | Confident | 130 Ų | 130 | 33.9 Ų | 33.9 | 79% | 0.788 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.9 | -35 | 174.9 | 170 | 0 | 0 | 0 | 0 | 111.4 | K134 R135 G140 | K134-V138 VanDerWaalsContact O-CG2 3.29Å; K134-V138 WeakPolarHBondContact O-CG2 3.5Å; K134-V138 PolarHBondContact O-N 2.91Å; R135-V138 PolarHBondContact O-N 2.88Å; V138-G140 PolarHBondContact O-N 3.18Å |
| 139 | L | 82.1 | Confident | 80.5 | Confident | 73 Ų | 73 | 36.7 Ų | 36.7 | 38% | 0.382 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4 | 174.9 | -67.3 | 175.1 | 0 | 0 | 0 | 113.6 | W104 R135 A136 L137 | W104-L139 HydrophobicContact CH2-CB 4.32Å; W104-L139 HydrophobicContact CZ2-CB 3.67Å; W104-L139 PolarHBondContact NE1-O 2.94Å; R135-L139 HydrophobicContact CG-CD1 3.94Å; R135-L139 HydrophobicContact CG-CG 4.43Å; R135-L139 WeakPolarHBondContact O-CG 3.47Å; R135-L139 PolarHBondContact O-N 3.24Å; A136-L139 PolarHBondContact O-N 3.08Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 2.69Å |
| 140 | G | 81.1 | Confident | 79.7 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 38% | 0.381 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 11.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116 | A136 L137 V138 S142 K166 | A136-G140 PolarHBondContact O-N 3.13Å; L137-G140 PolarHBondContact O-N 3.01Å; V138-G140 PolarHBondContact O-N 3.18Å; G140-S142 PolarHBondContact O-N 3.47Å; G140-K166 PolarHBondContact O-NZ 3.46Å |
| 141 | A | 84.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -49.5 | 132.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W104 A136 L144 K166 | W104-A141 HydrophobicContact CD2-CB 4.12Å; W104-A141 HydrophobicContact CE3-CB 4.11Å; W104-A141 HydrophobicContact CH2-CB 3.67Å; W104-A141 HydrophobicContact CZ2-CB 3.6Å; W104-A141 HydrophobicContact CZ3-CB 3.92Å; W104-A141 CarbonylContact O-C 3.12Å; A136-A141 HydrophobicContact CB-CB 4.36Å; A136-A141 VanDerWaalsContact O-CB 3.27Å; A136-A141 WeakPolarHBondContact O-CB 3.33Å; A136-A141 PolarHBondContact O-N 2.89Å; A136-A141 VanDerWaalsContact O-N 3.09Å; A141-L144 HydrophobicContact CB-CD2 4.21Å; A141-K166 WeakPolarHBondContact O-CD 3.34Å; A141-K166 WeakPolarHBondContact O-CE 3.39Å; A141-K166 PolarHBondContact O-NZ 2.91Å | ||
| 142 | S | 84.5 | Confident | 77.4 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -73 | -32.3 | -179.3 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | P103 W104 G140 | P103-S142 WeakPolarHBondContact CB-OG 3.25Å; W104-S142 PolarHBondContact O-N 3.16Å; G140-S142 PolarHBondContact O-N 3.47Å |
| 143 | A | 86.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 163.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | I105 G106 P167 I194 | I105-A143 WeakPolarHBondContact CA-O 3.3Å; I105-A143 HydrophobicContact CG1-CB 4.23Å; I105-A143 HydrophobicContact CG2-CB 4.18Å; G106-A143 PolarHBondContact N-O 3.13Å; A143-P167 HydrophobicContact CB-CG 3.84Å; A143-I194 HydrophobicContact CB-CD1 4.03Å |
| 144 | L | 86.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.8 | 173.7 | -64.6 | 177.9 | 0 | 0 | 0 | 111 | G106 M133 A136 L137 A141 P167 I168 I169 | G106-L144 CarbonylContact O-C 3.49Å; G106-L144 WeakPolarHBondContact O-CA 3.41Å; M133-L144 HydrophobicContact CB-CD1 4.01Å; M133-L144 HydrophobicContact CE-CD1 4.23Å; M133-L144 HydrophobicContact CG-CD1 4.24Å; A136-L144 HydrophobicContact CB-CD2 3.55Å; L137-L144 HydrophobicContact CD1-CD1 4.18Å; L137-L144 HydrophobicContact CD2-CD1 4Å; L137-L144 HydrophobicContact CD2-CG 4.29Å; L137-L144 HydrophobicContact CG-CD1 3.92Å; A141-L144 HydrophobicContact CB-CD2 4.21Å; L144-P167 PolarHBondContact N-O 2.88Å; L144-I168 HydrophobicContact CB-CG1 4.43Å; L144-I168 HydrophobicContact CD1-CG1 4.48Å; L144-I168 WeakPolarHBondContact O-CA 3.39Å; L144-I169 PolarHBondContact O-N 2.78Å |
| 145 | I | 87.6 | Confident | 73.7 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.3 | 172.6 | -63.9 | 173.9 | 0 | 0 | 0 | 108 | V36 L79 I105 G106 V107 V108 L147 I169 I171 | V36-I145 HydrophobicContact CG1-CD1 4Å; L79-I145 HydrophobicContact CD2-CD1 3.87Å; I105-I145 HydrophobicContact CG2-CD1 3.69Å; I105-I145 HydrophobicContact CG2-CG1 3.8Å; G106-I145 PolarHBondContact O-N 3.16Å; V107-I145 CarbonylContact C-O 3.57Å; V107-I145 WeakPolarHBondContact CA-O 3.49Å; V107-I145 HydrophobicContact CG2-CB 4.49Å; V108-I145 PolarHBondContact N-O 2.97Å; I145-L147 HydrophobicContact CG2-CD2 3.7Å; I145-L147 HydrophobicContact CG2-CG 4.34Å; I145-I169 CarbonylContact C-O 3.53Å; I145-I169 WeakPolarHBondContact CA-O 3.29Å; I145-I169 HydrophobicContact CG1-CB 4.48Å; I145-I171 HydrophobicContact CG2-CD1 3.52Å; I145-I171 HydrophobicContact CG2-CG1 3.97Å |
| 146 | I | 84.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.7 | 174.5 | -54.1 | 178.2 | 0 | 0 | 0 | 107.8 | V110 M133 A148 M157 I168 I169 V170 I171 | V110-I146 HydrophobicContact CG2-CG2 3.57Å; M133-I146 HydrophobicContact CE-CD1 3.61Å; M133-I146 HydrophobicContact CE-CG1 4.45Å; M133-I146 HydrophobicContact SD-CD1 3.89Å; I146-A148 HydrophobicContact CG2-CB 4.34Å; I146-A148 PolarHBondContact O-N 3.07Å; I146-M157 HydrophobicContact CD1-SD 4.12Å; I146-I168 HydrophobicContact CD1-CG2 3.61Å; I146-I168 HydrophobicContact CG1-CG2 4.02Å; I146-I169 PolarHBondContact N-O 2.9Å; I146-V170 HydrophobicContact CB-CG2 4.37Å; I146-V170 HydrophobicContact CD1-CG2 4.37Å; I146-I171 PolarHBondContact O-N 2.92Å |
| 147 | L | 81.9 | Confident | 71.2 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 92.5 | 175.4 | -56 | 178.3 | 0 | 0 | 0 | 107.7 | V107 V108 V110 I145 I171 V177 I181 | V107-L147 HydrophobicContact CG1-CD1 3.42Å; V107-L147 VanDerWaalsContact CG1-CD1 3.42Å; V107-L147 HydrophobicContact CG1-CG 3.88Å; V108-L147 PolarHBondContact O-N 2.94Å; V110-L147 WeakPolarHBondContact CB-O 2.97Å; V110-L147 WeakPolarHBondContact CG2-O 3.49Å; V110-L147 PolarHBondContact N-O 3.34Å; I145-L147 HydrophobicContact CG2-CD2 3.7Å; I145-L147 HydrophobicContact CG2-CG 4.34Å; L147-I171 HydrophobicContact CD2-CB 3.92Å; L147-I171 HydrophobicContact CD2-CD1 4.37Å; L147-I171 HydrophobicContact CD2-CG2 4.39Å; L147-V177 HydrophobicContact CB-CG1 4.15Å; L147-V177 HydrophobicContact CD1-CG1 3.81Å; L147-V177 HydrophobicContact CD2-CG1 3.69Å; L147-V177 HydrophobicContact CG-CG1 4.09Å; L147-I181 HydrophobicContact CB-CD1 4.47Å; L147-I181 HydrophobicContact CD1-CD1 3.62Å; L147-I181 HydrophobicContact CD1-CG1 3.41Å; L147-I181 VanDerWaalsContact CD1-CG1 3.41Å |
| 148 | A | 72.7 | Confident | 69.8 | Low | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V110 I146 V170 I171 T173 | V110-A148 HydrophobicContact CG2-CB 4.37Å; I146-A148 HydrophobicContact CG2-CB 4.34Å; I146-A148 PolarHBondContact O-N 3.07Å; A148-V170 HydrophobicContact CB-CG1 4.12Å; A148-I171 PolarHBondContact N-O 3.34Å; A148-I171 VanDerWaalsContact N-O 3.16Å; A148-T173 PolarHBondContact O-N 3.27Å |
| 149 | L | 59.4 | Low | 68.8 | Low | 97 Ų | 97 | 45.8 Ų | 45.8 | 51% | 0.508 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -69.4 | -25.1 | 170.5 | -74.7 | 157.8 | 0 | 0 | 0 | 111.9 | M112 T173 | M112-L149 HydrophobicContact CB-CD1 4.47Å; M112-L149 HydrophobicContact CG-CD1 4.11Å; L149-T173 HydrophobicContact CB-CG2 4.4Å; L149-T173 HydrophobicContact CD2-CG2 3.61Å; L149-T173 HydrophobicContact CG-CG2 3.79Å |
| 150 | N | 58.9 | Low | 67.5 | Low | 72 Ų | 72 | 46.7 Ų | 46.7 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -139.3 | 125.3 | -176.6 | -174.8 | 0.2 | 0 | 0 | 0 | 111.1 | N152 T153 | N150-N152 PolarHBondContact O-N 3.34Å; N150-N152 PolarHBondContact OD1-N 2.68Å; N150-N152 PolarHBondContact OD1-OD1 3.36Å; N150-T153 HydrophobicContact CB-CG2 4.08Å; N150-T153 PolarHBondContact O-N 3.16Å; N150-T153 VanDerWaalsContact O-N 3.12Å; N150-T153 PolarHBondContact O-OG1 3.04Å | ||
| 151 | Q | 55.1 | Low | 66.2 | Low | 96 Ų | 96 | 52.4 Ų | 52.4 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -34 | -178.5 | -64.8 | 173 | 60.4 | 0 | 0 | 112.2 | T153 A154 Q172 | Q151-T153 VanDerWaalsContact C-N 3.26Å; Q151-T153 PolarHBondContact O-N 3.44Å; Q151-A154 PolarHBondContact O-N 2.88Å; Q151-Q172 HydrophobicContact CG-CG 3.78Å; Q151-Q172 VanDerWaalsContact NE2-CD 3.29Å |
| 152 | N | 53.5 | Low | 64.8 | Low | 89 Ų | 89 | 53.8 Ų | 53.8 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -25.9 | -179.1 | -63.9 | 66.6 | 0 | 0 | 0 | 113.5 | N150 A154 S155 E156 | N150-N152 PolarHBondContact O-N 3.34Å; N150-N152 PolarHBondContact OD1-N 2.68Å; N150-N152 PolarHBondContact OD1-OD1 3.36Å; N152-A154 VanDerWaalsContact C-N 3.27Å; N152-A154 PolarHBondContact O-N 3.29Å; N152-S155 PolarHBondContact O-N 2.91Å; N152-E156 PolarHBondContact O-N 2.89Å |
| 153 | T | 55.2 | Low | 63.5 | Low | 40 Ų | 40 | 54.2 Ų | 54.2 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.3 | -25.6 | -178.8 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | N150 Q151 | N150-T153 HydrophobicContact CB-CG2 4.08Å; N150-T153 PolarHBondContact O-N 3.16Å; N150-T153 VanDerWaalsContact O-N 3.12Å; N150-T153 PolarHBondContact O-OG1 3.04Å; Q151-T153 VanDerWaalsContact C-N 3.26Å; Q151-T153 PolarHBondContact O-N 3.44Å |
| 154 | A | 55 | Low | 61.8 | Low | 9 Ų | 9 | 61.5 Ų | 61.5 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -87.5 | -22 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q151 N152 M157 V170 | Q151-A154 PolarHBondContact O-N 2.88Å; N152-A154 VanDerWaalsContact C-N 3.27Å; N152-A154 PolarHBondContact O-N 3.29Å; A154-M157 WeakPolarHBondContact O-CG 3.46Å; A154-V170 HydrophobicContact CB-CG1 4Å; A154-V170 HydrophobicContact CB-CG2 3.74Å |
| 155 | S | 53.6 | Low | 60.5 | Low | 104 Ų | 104 | 66.5 Ų | 66.5 | 73% | 0.727 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -77.4 | -28.3 | 177.4 | -174.6 | 0 | 0 | 0 | 0 | 112.6 | N152 | N152-S155 PolarHBondContact O-N 2.91Å |
| 156 | E | 52.4 | Low | 60 | Low | 160 Ų | 160 | 68.9 Ų | 68.9 | 75% | 0.748 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -83.1 | -10.1 | -178.8 | -72.7 | -178.4 | 174.8 | 0 | 0 | 114.3 | N152 D158 | N152-E156 PolarHBondContact O-N 2.89Å; E156-D158 PolarHBondContact O-N 2.94Å |
| 157 | M | 58.1 | Low | 59.5 | Low | 20 Ų | 20 | 69.8 Ų | 69.8 | 10% | 0.099 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -78.9 | 117.6 | 175.6 | 44.3 | 176.6 | 57 | 0 | 0 | 110.4 | V129 V130 M133 I146 A154 L159 | V129-M157 HydrophobicContact CB-CE 4.36Å; V129-M157 HydrophobicContact CG1-CE 3.69Å; V130-M157 HydrophobicContact CG2-CB 4.37Å; M133-M157 HydrophobicContact CE-SD 4.35Å; M133-M157 HydrophobicContact SD-CE 4.23Å; M133-M157 HydrophobicContact SD-SD 4.07Å; I146-M157 HydrophobicContact CD1-SD 4.12Å; A154-M157 WeakPolarHBondContact O-CG 3.46Å; M157-L159 HydrophobicContact CB-CD2 4.37Å; M157-L159 HydrophobicContact CB-CG 4.24Å; M157-L159 HydrophobicContact CG-CD1 3.99Å; M157-L159 HydrophobicContact CG-CD2 4.12Å; M157-L159 HydrophobicContact CG-CG 3.83Å; M157-L159 WeakPolarHBondContact O-CG 3.26Å; M157-L159 PolarHBondContact O-N 3.45Å; M157-L159 HydrophobicContact SD-CD1 3.91Å; M157-L159 HydrophobicContact SD-CD2 3.75Å; M157-L159 HydrophobicContact SD-CG 3.99Å |
| 158 | D | 52.1 | Low | 59.4 | Low | 104 Ų | 104 | 69.9 Ų | 69.9 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | trans | -68.8 | 81.6 | 172.7 | -173.4 | 15.4 | 0 | 0 | 0 | 110.1 | E156 S160 | E156-D158 PolarHBondContact O-N 2.94Å; D158-S160 PolarHBondContact O-N 3.36Å; D158-S160 WeakPolarHBondContact OD1-CB 3.48Å; D158-S160 PolarHBondContact OD1-OG 2.86Å | ||
| 159 | L | 60.5 | Low | 59.9 | Low | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -75.4 | -8.4 | -177.9 | -68.2 | 171.3 | 0 | 0 | 0 | 112.4 | V55 M133 M157 Q161 V162 L163 I168 | V55-L159 HydrophobicContact CG1-CD1 3.85Å; M133-L159 HydrophobicContact CE-CD2 3.65Å; M133-L159 HydrophobicContact SD-CD2 4.29Å; M157-L159 HydrophobicContact CB-CD2 4.37Å; M157-L159 HydrophobicContact CB-CG 4.24Å; M157-L159 HydrophobicContact CG-CD1 3.99Å; M157-L159 HydrophobicContact CG-CD2 4.12Å; M157-L159 HydrophobicContact CG-CG 3.83Å; M157-L159 WeakPolarHBondContact O-CG 3.26Å; M157-L159 PolarHBondContact O-N 3.45Å; M157-L159 HydrophobicContact SD-CD1 3.91Å; M157-L159 HydrophobicContact SD-CD2 3.75Å; M157-L159 HydrophobicContact SD-CG 3.99Å; L159-Q161 PolarHBondContact O-N 2.88Å; L159-V162 PolarHBondContact O-N 2.89Å; L159-L163 VanDerWaalsContact C-CD1 3.47Å; L159-L163 HydrophobicContact CB-CD1 3.56Å; L159-L163 HydrophobicContact CB-CD2 4.38Å; L159-L163 HydrophobicContact CB-CG 3.85Å; L159-L163 VanDerWaalsContact O-CD1 3.28Å; L159-L163 WeakPolarHBondContact O-CD1 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.34Å; L159-L163 PolarHBondContact O-N 3.17Å; L159-L163 VanDerWaalsContact O-N 3.14Å; L159-I168 HydrophobicContact CD1-CD1 4.16Å; L159-I168 HydrophobicContact CD2-CD1 4.39Å |
| 160 | S | 54.7 | Low | 60.9 | Low | 92 Ų | 92 | 65.7 Ų | 65.7 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -49 | -31.9 | -177.1 | -45.5 | 0 | 0 | 0 | 0 | 114.2 | D158 | D158-S160 PolarHBondContact O-N 3.36Å; D158-S160 WeakPolarHBondContact OD1-CB 3.48Å; D158-S160 PolarHBondContact OD1-OG 2.86Å |
| 161 | Q | 52.7 | Low | 62.1 | Low | 158 Ų | 158 | 62.3 Ų | 62.3 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -89.2 | -14.6 | -176.2 | -61.8 | 179 | 14.5 | 0 | 0 | 114.2 | L159 | L159-Q161 PolarHBondContact O-N 2.88Š|
| 162 | V | 54.5 | Low | 63.2 | Low | 29 Ų | 29 | 62.6 Ų | 62.6 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -18.9 | -173.8 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | V130 K134 L137 L159 L164 | V130-V162 HydrophobicContact CG1-CG2 4.46Å; K134-V162 HydrophobicContact CD-CG2 4.32Å; K134-V162 VanDerWaalsContact CE-CG2 3.42Å; K134-V162 HydrophobicContact CG-CG1 4.04Å; K134-V162 HydrophobicContact CG-CG2 3.93Å; L137-V162 HydrophobicContact CD1-CG1 3.43Å; L137-V162 VanDerWaalsContact CD1-CG1 3.43Å; L159-V162 PolarHBondContact O-N 2.89Å; V162-L164 PolarHBondContact O-N 3.01Å |
| 163 | L | 56.8 | Low | 64 | Low | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | trans | -76.8 | 79 | -175 | -70.5 | 163.5 | 0 | 0 | 0 | 112.7 | L159 I168 | L159-L163 VanDerWaalsContact C-CD1 3.47Å; L159-L163 HydrophobicContact CB-CD1 3.56Å; L159-L163 HydrophobicContact CB-CD2 4.38Å; L159-L163 HydrophobicContact CB-CG 3.85Å; L159-L163 VanDerWaalsContact O-CD1 3.28Å; L159-L163 WeakPolarHBondContact O-CD1 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.34Å; L159-L163 PolarHBondContact O-N 3.17Å; L159-L163 VanDerWaalsContact O-N 3.14Å; L163-I168 HydrophobicContact CD2-CD1 3.75Å | ||
| 164 | L | 52.4 | Low | 64.9 | Low | 154 Ų | 154 | 61.6 Ų | 61.6 | 81% | 0.806 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -119.9 | 98 | 160.5 | -69.3 | 166.3 | 0 | 0 | 0 | 107.7 | V162 | V162-L164 PolarHBondContact O-N 3.01Š|
| 165 | S | 59.6 | Low | 65.6 | Low | 105 Ų | 105 | 67.4 Ų | 67.4 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 85.1 | 1 | 155.6 | 74.5 | 0 | 0 | 0 | 0 | 122.1 | ||
| 166 | K | 75.6 | Confident | 66.7 | Low | 56 Ų | 56 | 65.4 Ų | 65.4 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | trans | -122.9 | 139 | -177.8 | -70.6 | 166.6 | 168.4 | -170 | 0 | 112.7 | L137 G140 A141 | L137-K166 HydrophobicContact CD2-CB 4.03Å; L137-K166 HydrophobicContact CD2-CD 3.54Å; L137-K166 HydrophobicContact CD2-CG 4.42Å; G140-K166 PolarHBondContact O-NZ 3.46Å; A141-K166 WeakPolarHBondContact O-CD 3.34Å; A141-K166 WeakPolarHBondContact O-CE 3.39Å; A141-K166 PolarHBondContact O-NZ 2.91Å | ||
| 167 | P | 75.6 | Confident | 68.1 | Low | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | trans | -72 | 139 | -176.8 | 28.4 | -32.5 | 0 | 0 | 0 | 111.9 | L75 A143 L144 Y196 | L75-P167 HydrophobicContact CD1-CG 3.59Å; A143-P167 HydrophobicContact CB-CG 3.84Å; L144-P167 PolarHBondContact N-O 2.88Å; P167-Y196 VanDerWaalsContact CB-OH 3.27Å; P167-Y196 WeakPolarHBondContact CB-OH 3.34Å; P167-Y196 VanDerWaalsContact CG-OH 3.32Å; P167-Y196 WeakPolarHBondContact CG-OH 3.27Å | ||
| 168 | I | 78.6 | Confident | 69 | Low | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.4 | 173.9 | -57 | 172.5 | 0 | 0 | 0 | 107.4 | V55 M133 L144 I146 L159 L163 | V55-I168 PolarHBondContact N-O 2.86Å; M133-I168 HydrophobicContact CE-CD1 3.7Å; M133-I168 HydrophobicContact CE-CG1 4.41Å; M133-I168 HydrophobicContact CE-CG2 4.12Å; L144-I168 HydrophobicContact CB-CG1 4.43Å; L144-I168 HydrophobicContact CD1-CG1 4.48Å; L144-I168 WeakPolarHBondContact O-CA 3.39Å; I146-I168 HydrophobicContact CD1-CG2 3.61Å; I146-I168 HydrophobicContact CG1-CG2 4.02Å; L159-I168 HydrophobicContact CD1-CD1 4.16Å; L159-I168 HydrophobicContact CD2-CD1 4.39Å; L163-I168 HydrophobicContact CD2-CD1 3.75Å |
| 169 | I | 83.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.3 | -178 | -59 | 162.2 | 0 | 0 | 0 | 107.6 | A34 V36 E53 L144 I145 I146 I171 I194 | A34-I169 HydrophobicContact CB-CD1 3.97Å; A34-I169 HydrophobicContact CB-CG1 3.97Å; A34-I169 HydrophobicContact CB-CG2 3.96Å; V36-I169 HydrophobicContact CG2-CD1 4.25Å; V36-I169 HydrophobicContact CG2-CG2 4.18Å; E53-I169 WeakPolarHBondContact O-CA 3.44Å; L144-I169 PolarHBondContact O-N 2.78Å; I145-I169 CarbonylContact C-O 3.53Å; I145-I169 WeakPolarHBondContact CA-O 3.29Å; I145-I169 HydrophobicContact CG1-CB 4.48Å; I146-I169 PolarHBondContact N-O 2.9Å; I169-I171 HydrophobicContact CG2-CD1 4.47Å; I169-I171 HydrophobicContact CG2-CG1 3.94Å; I169-I194 HydrophobicContact CD1-CB 4.4Å; I169-I194 HydrophobicContact CD1-CD1 3.56Å; I169-I194 HydrophobicContact CD1-CG1 3.91Å; I169-I194 HydrophobicContact CD1-CG2 3.58Å |
| 170 | V | 81.3 | Confident | 71.4 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.3 | 176.5 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | G52 E53 V55 I146 A148 A154 | G52-V170 CarbonylContact C-O 3.56Å; G52-V170 WeakPolarHBondContact CA-O 3.48Å; E53-V170 PolarHBondContact N-O 3.02Å; E53-V170 PolarHBondContact O-N 2.82Å; V55-V170 HydrophobicContact CG2-CG2 3.58Å; I146-V170 HydrophobicContact CB-CG2 4.37Å; I146-V170 HydrophobicContact CD1-CG2 4.37Å; A148-V170 HydrophobicContact CB-CG1 4.12Å; A154-V170 HydrophobicContact CB-CG1 4Å; A154-V170 HydrophobicContact CB-CG2 3.74Å |
| 171 | I | 82.8 | Confident | 72.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.5 | 177.8 | -55.7 | 180 | 0 | 0 | 0 | 108 | V36 L50 I145 I146 L147 A148 I169 V177 | V36-I171 HydrophobicContact CB-CD1 4.3Å; V36-I171 HydrophobicContact CG2-CD1 4.06Å; L50-I171 HydrophobicContact CB-CD1 4.03Å; L50-I171 HydrophobicContact CB-CG2 4.28Å; L50-I171 HydrophobicContact CD1-CD1 4.16Å; I145-I171 HydrophobicContact CG2-CD1 3.52Å; I145-I171 HydrophobicContact CG2-CG1 3.97Å; I146-I171 PolarHBondContact O-N 2.92Å; L147-I171 HydrophobicContact CD2-CB 3.92Å; L147-I171 HydrophobicContact CD2-CD1 4.37Å; L147-I171 HydrophobicContact CD2-CG2 4.39Å; A148-I171 PolarHBondContact N-O 3.34Å; A148-I171 VanDerWaalsContact N-O 3.16Å; I169-I171 HydrophobicContact CG2-CD1 4.47Å; I169-I171 HydrophobicContact CG2-CG1 3.94Å; I171-V177 HydrophobicContact CG2-CG2 3.7Å |
| 172 | Q | 78.7 | Confident | 74 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 140.6 | 173.5 | -66.2 | 176 | 36.4 | 0 | 0 | 110.3 | Q151 S174 | Q151-Q172 HydrophobicContact CG-CG 3.78Å; Q151-Q172 VanDerWaalsContact NE2-CD 3.29Å; Q172-S174 PolarHBondContact O-N 3.12Å |
| 173 | T | 69.8 | Low | 75.2 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | trans | -59.6 | 123.2 | 178.4 | 51.9 | 0 | 0 | 0 | 0 | 112 | A148 L149 | A148-T173 PolarHBondContact O-N 3.27Å; L149-T173 HydrophobicContact CB-CG2 4.4Å; L149-T173 HydrophobicContact CD2-CG2 3.61Å; L149-T173 HydrophobicContact CG-CG2 3.79Å | ||
| 174 | S | 74 | Confident | 76.5 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | trans | -131.1 | 173 | 172.3 | 69.1 | 0 | 0 | 0 | 0 | 110.5 | Q172 N176 V177 T178 | Q172-S174 PolarHBondContact O-N 3.12Å; S174-N176 PolarHBondContact O-N 3.06Å; S174-V177 WeakPolarHBondContact O-CB 3.25Å; S174-V177 PolarHBondContact O-N 3.22Å; S174-V177 WeakPolarHBondContact OG-CG2 3.15Å; S174-V177 PolarHBondContact OG-N 3.27Å; S174-T178 PolarHBondContact O-N 3.08Å | ||
| 175 | E | 69.5 | Low | 77.9 | Confident | 132 Ų | 132 | 47 Ų | 47 | 62% | 0.617 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.9 | -31.5 | 175.7 | -163 | -168.8 | 148.7 | 0 | 0 | 112.5 | T178 K179 | E175-T178 PolarHBondContact O-OG1 3.2Å; E175-T178 VanDerWaalsContact O-OG1 3.04Å; E175-K179 WeakPolarHBondContact O-CD 3.42Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.41Å; E175-K179 PolarHBondContact O-N 3.12Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.5Å; E175-K179 IonicContact OE1-NZ 3.08Å; E175-K179 PolarHBondContact OE1-NZ 3.28Å |
| 176 | N | 78.3 | Confident | 79 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 33% | 0.326 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -73.3 | -36.1 | 177 | -64.7 | -20.8 | 0 | 0 | 0 | 111.5 | L50 S174 K179 L180 | L50-N176 HydrophobicContact CD2-CB 3.56Å; S174-N176 PolarHBondContact O-N 3.06Å; N176-K179 PolarHBondContact O-N 3.22Å; N176-L180 PolarHBondContact O-N 3.06Å |
| 177 | V | 80.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | L50 L147 I171 S174 K179 L180 I181 | L50-V177 HydrophobicContact CD1-CG2 4.31Å; L50-V177 HydrophobicContact CD2-CG2 3.81Å; L147-V177 HydrophobicContact CB-CG1 4.15Å; L147-V177 HydrophobicContact CD1-CG1 3.81Å; L147-V177 HydrophobicContact CD2-CG1 3.69Å; L147-V177 HydrophobicContact CG-CG1 4.09Å; I171-V177 HydrophobicContact CG2-CG2 3.7Å; S174-V177 WeakPolarHBondContact O-CB 3.25Å; S174-V177 PolarHBondContact O-N 3.22Å; S174-V177 WeakPolarHBondContact OG-CG2 3.15Å; S174-V177 PolarHBondContact OG-N 3.27Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.21Å; V177-L180 WeakPolarHBondContact O-CB 3.38Å; V177-L180 PolarHBondContact O-N 3.06Å; V177-I181 HydrophobicContact CG1-CD1 3.93Å; V177-I181 HydrophobicContact CG1-CG1 4.38Å; V177-I181 WeakPolarHBondContact O-CG1 3.44Å; V177-I181 PolarHBondContact O-N 3.04Å |
| 178 | T | 78.5 | Confident | 79.6 | Confident | 83 Ų | 83 | 53 Ų | 53 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | 179.2 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | S174 E175 G182 | S174-T178 PolarHBondContact O-N 3.08Å; E175-T178 PolarHBondContact O-OG1 3.2Å; E175-T178 VanDerWaalsContact O-OG1 3.04Å; T178-G182 PolarHBondContact O-N 3.12Å |
| 179 | K | 79.9 | Confident | 79.9 | Confident | 112 Ų | 112 | 58.7 Ų | 58.7 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 170.2 | -74.6 | 170.2 | -173.2 | 164.4 | 0 | 111.8 | E175 N176 V177 G182 A183 | E175-K179 WeakPolarHBondContact O-CD 3.42Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.41Å; E175-K179 PolarHBondContact O-N 3.12Å; E175-K179 VanDerWaalsContact OE1-CE 3.25Å; E175-K179 WeakPolarHBondContact OE1-CE 3.5Å; E175-K179 IonicContact OE1-NZ 3.08Å; E175-K179 PolarHBondContact OE1-NZ 3.28Å; N176-K179 PolarHBondContact O-N 3.22Å; V177-K179 VanDerWaalsContact C-N 3.33Å; V177-K179 PolarHBondContact O-N 3.21Å; K179-G182 PolarHBondContact O-N 3.4Å; K179-A183 WeakPolarHBondContact O-CB 3.36Å; K179-A183 PolarHBondContact O-N 3.4Å |
| 180 | L | 81.7 | Confident | 80 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.2 | -50.2 | 177.1 | 177.6 | 60.8 | 0 | 0 | 0 | 112 | V38 L50 L79 N176 V177 G182 A183 L184 A190 | V38-L180 HydrophobicContact CG1-CD1 3.7Å; V38-L180 HydrophobicContact CG1-CD2 4.34Å; V38-L180 HydrophobicContact CG2-CD2 4.17Å; L50-L180 HydrophobicContact CD1-CD2 3.85Å; L79-L180 HydrophobicContact CD1-CD1 4.11Å; L79-L180 HydrophobicContact CD1-CD2 4.18Å; N176-L180 PolarHBondContact O-N 3.06Å; V177-L180 WeakPolarHBondContact O-CB 3.38Å; V177-L180 PolarHBondContact O-N 3.06Å; L180-G182 VanDerWaalsContact C-N 3.27Å; L180-G182 PolarHBondContact O-N 2.94Å; L180-A183 WeakPolarHBondContact O-CB 3.3Å; L180-A183 PolarHBondContact O-N 3.22Å; L180-L184 HydrophobicContact CD1-CD1 4.21Å; L180-L184 HydrophobicContact CD1-CG 4.15Å; L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 HydrophobicContact CG-CG 4.49Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.48Å; L180-A190 HydrophobicContact CD1-CB 4.34Å |
| 181 | I | 82.2 | Confident | 80.3 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 176.3 | -65.1 | 167 | 0 | 0 | 0 | 109.7 | L147 V177 A183 L184 L185 | L147-I181 HydrophobicContact CB-CD1 4.47Å; L147-I181 HydrophobicContact CD1-CD1 3.62Å; L147-I181 HydrophobicContact CD1-CG1 3.41Å; L147-I181 VanDerWaalsContact CD1-CG1 3.41Å; V177-I181 HydrophobicContact CG1-CD1 3.93Å; V177-I181 HydrophobicContact CG1-CG1 4.38Å; V177-I181 WeakPolarHBondContact O-CG1 3.44Å; V177-I181 PolarHBondContact O-N 3.04Å; I181-A183 VanDerWaalsContact C-N 3.27Å; I181-A183 PolarHBondContact O-N 3.04Å; I181-L184 PolarHBondContact O-N 3.01Å; I181-L185 HydrophobicContact CG2-CD1 3.71Å; I181-L185 HydrophobicContact CG2-CG 4.18Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 WeakPolarHBondContact O-CG 3.17Å; I181-L185 PolarHBondContact O-N 3.24Å |
| 182 | G | 79.6 | Confident | 80.6 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 19% | 0.186 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -30.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T178 K179 L180 R186 | T178-G182 PolarHBondContact O-N 3.12Å; K179-G182 PolarHBondContact O-N 3.4Å; L180-G182 VanDerWaalsContact C-N 3.27Å; L180-G182 PolarHBondContact O-N 2.94Å; G182-R186 VanDerWaalsContact O-CD 3.25Å; G182-R186 WeakPolarHBondContact O-CD 3.5Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 3.06Å |
| 183 | A | 81.4 | Confident | 81.1 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.5 | -47 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L40 K179 L180 I181 R186 G187 L188 | L40-A183 HydrophobicContact CD2-CB 3.87Å; K179-A183 WeakPolarHBondContact O-CB 3.36Å; K179-A183 PolarHBondContact O-N 3.4Å; L180-A183 WeakPolarHBondContact O-CB 3.3Å; L180-A183 PolarHBondContact O-N 3.22Å; I181-A183 VanDerWaalsContact C-N 3.27Å; I181-A183 PolarHBondContact O-N 3.04Å; A183-R186 WeakPolarHBondContact O-CB 3.39Å; A183-R186 PolarHBondContact O-N 3.46Å; A183-R186 VanDerWaalsContact O-N 3.16Å; A183-G187 PolarHBondContact O-N 3.26Å; A183-L188 HydrophobicContact CB-CB 4.34Å; A183-L188 HydrophobicContact CB-CD1 3.92Å; A183-L188 VanDerWaalsContact O-CB 3.29Å; A183-L188 WeakPolarHBondContact O-CB 3.2Å; A183-L188 PolarHBondContact O-N 2.91Å; A183-L188 VanDerWaalsContact O-N 3.11Å |
| 184 | L | 82.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 179.2 | -66.8 | 176.7 | 0 | 0 | 0 | 112 | L79 V107 L180 I181 R186 G187 A190 | L79-L184 HydrophobicContact CB-CD2 4.27Å; V107-L184 HydrophobicContact CB-CD1 4.48Å; V107-L184 HydrophobicContact CG2-CD1 4.27Å; L180-L184 HydrophobicContact CD1-CD1 4.21Å; L180-L184 HydrophobicContact CD1-CG 4.15Å; L180-L184 HydrophobicContact CG-CD1 4.17Å; L180-L184 HydrophobicContact CG-CG 4.49Å; L180-L184 WeakPolarHBondContact O-CG 3.47Å; L180-L184 PolarHBondContact O-N 3.48Å; I181-L184 PolarHBondContact O-N 3.01Å; L184-R186 PolarHBondContact O-N 3.22Å; L184-G187 WeakPolarHBondContact O-CA 3.46Å; L184-G187 PolarHBondContact O-N 3.46Å; L184-A190 HydrophobicContact CD2-CB 4.11Å |
| 185 | L | 83.1 | Confident | 82.5 | Confident | 110 Ų | 110 | 54.4 Ų | 54.4 | 58% | 0.576 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -26.4 | 175.1 | -73.9 | 174.2 | 0 | 0 | 0 | 112.9 | L81 I181 G187 | L81-L185 HydrophobicContact CD2-CD2 3.43Å; L81-L185 VanDerWaalsContact CD2-CD2 3.43Å; L81-L185 HydrophobicContact CD2-CG 4.05Å; I181-L185 HydrophobicContact CG2-CD1 3.71Å; I181-L185 HydrophobicContact CG2-CG 4.18Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 WeakPolarHBondContact O-CG 3.17Å; I181-L185 PolarHBondContact O-N 3.24Å; L185-G187 PolarHBondContact O-N 2.99Å |
| 186 | R | 82.8 | Confident | 83.1 | Confident | 199 Ų | 199 | 49.9 Ų | 49.9 | 75% | 0.751 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.8 | 173.2 | -71.5 | 170.8 | -172.7 | 136.5 | 0.5 | 113 | G182 A183 L184 L188 | G182-R186 VanDerWaalsContact O-CD 3.25Å; G182-R186 WeakPolarHBondContact O-CD 3.5Å; G182-R186 WeakPolarHBondContact O-CG 3.36Å; G182-R186 PolarHBondContact O-N 3.06Å; A183-R186 WeakPolarHBondContact O-CB 3.39Å; A183-R186 PolarHBondContact O-N 3.46Å; A183-R186 VanDerWaalsContact O-N 3.16Å; L184-R186 PolarHBondContact O-N 3.22Å; R186-L188 HydrophobicContact CB-CG 4.46Å |
| 187 | G | 79.9 | Confident | 82.9 | Confident | 60 Ų | 60 | 51.8 Ų | 51.8 | 62% | 0.619 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 17.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | A183 L184 L185 | A183-G187 PolarHBondContact O-N 3.26Å; L184-G187 WeakPolarHBondContact O-CA 3.46Å; L184-G187 PolarHBondContact O-N 3.46Å; L185-G187 PolarHBondContact O-N 2.99Å |
| 188 | L | 82.8 | Confident | 82 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | trans | -74.9 | 136.9 | 173.4 | -59.9 | 179.5 | 0 | 0 | 0 | 109.9 | Q42 A183 R186 | Q42-L188 HydrophobicContact CG-CD2 4.24Å; A183-L188 HydrophobicContact CB-CB 4.34Å; A183-L188 HydrophobicContact CB-CD1 3.92Å; A183-L188 VanDerWaalsContact O-CB 3.29Å; A183-L188 WeakPolarHBondContact O-CB 3.2Å; A183-L188 PolarHBondContact O-N 2.91Å; A183-L188 VanDerWaalsContact O-N 3.11Å; R186-L188 HydrophobicContact CB-CG 4.46Å | ||
| 189 | R | 84.5 | Confident | 80.8 | Confident | 126 Ų | 126 | 56.1 Ų | 56.1 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | trans | -84.9 | 138 | 175.4 | -54.9 | 179.4 | 81.6 | -179.6 | 4.8 | 109.4 | E41 | E41-R189 HydrophobicContact CB-CB 4.31Å; E41-R189 PolarHBondContact N-O 3.11Å; E41-R189 WeakPolarHBondContact OE2-CB 3.48Å; E41-R189 VanDerWaalsContact OE2-CD 3.29Å; E41-R189 WeakPolarHBondContact OE2-CD 3.44Å | ||
| 190 | A | 86.9 | Confident | 79.1 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 146.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V38 F39 L40 L79 L180 L184 | V38-A190 HydrophobicContact CG1-CB 4.06Å; F39-A190 CarbonylContact O-C 3.58Å; F39-A190 WeakPolarHBondContact O-CA 3.36Å; L40-A190 HydrophobicContact CD2-CB 4.04Å; L79-A190 HydrophobicContact CB-CB 4.3Å; L79-A190 HydrophobicContact CD1-CB 3.9Å; L79-A190 PolarHBondContact N-O 3.39Å; L180-A190 HydrophobicContact CD1-CB 4.34Å; L184-A190 HydrophobicContact CD2-CB 4.11Å |
| 191 | T | 87.3 | Confident | 77.3 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 27% | 0.27 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146 | 171.6 | 59.4 | 0 | 0 | 0 | 0 | 109 | V38 F39 N78 | V38-T191 CarbonylContact C-O 3.52Å; V38-T191 WeakPolarHBondContact CA-O 3.43Å; F39-T191 PolarHBondContact N-O 3.29Å; F39-T191 PolarHBondContact O-N 2.69Å; N78-T191 WeakPolarHBondContact OD1-CG2 3.27Å |
| 192 | A | 89.4 | Confident | 75 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V36 E37 V38 E76 G77 L79 I105 | V36-A192 HydrophobicContact CG1-CB 4.04Å; E37-A192 CarbonylContact O-C 3.59Å; E37-A192 VanDerWaalsContact O-CA 3.3Å; E37-A192 WeakPolarHBondContact O-CA 3.3Å; V38-A192 HydrophobicContact CG2-CB 4.32Å; E76-A192 WeakPolarHBondContact CA-O 3.45Å; G77-A192 PolarHBondContact N-O 2.96Å; G77-A192 VanDerWaalsContact N-O 3.08Å; G77-A192 PolarHBondContact O-N 3.34Å; L79-A192 HydrophobicContact CD1-CB 3.97Å; L79-A192 HydrophobicContact CD2-CB 3.59Å; L79-A192 HydrophobicContact CG-CB 3.73Å; I105-A192 HydrophobicContact CD1-CB 4.08Å |
| 193 | K | 88.9 | Confident | 73 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123 | 172 | -176.1 | 177.4 | -178.6 | 174.6 | 0 | 108.7 | V36 E37 F39 | V36-K193 WeakPolarHBondContact CA-O 3.46Å; E37-K193 HydrophobicContact CB-CB 4.43Å; E37-K193 PolarHBondContact N-O 2.9Å; E37-K193 PolarHBondContact O-N 3.2Å; F39-K193 HydrophobicContact CE2-CB 4.27Å |
| 194 | I | 87.4 | Confident | 71.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.1 | -178 | -59.4 | 161.5 | 0 | 0 | 0 | 108.6 | A34 L35 V36 Q74 L75 I105 A143 I169 Y196 | A34-I194 HydrophobicContact CB-CG2 4.21Å; L35-I194 WeakPolarHBondContact O-CA 3.5Å; V36-I194 HydrophobicContact CG1-CG1 4.33Å; V36-I194 HydrophobicContact CG2-CG1 4.21Å; Q74-I194 WeakPolarHBondContact CA-O 3.27Å; L75-I194 HydrophobicContact CB-CB 4.25Å; L75-I194 HydrophobicContact CB-CD1 4.32Å; L75-I194 PolarHBondContact N-O 2.98Å; L75-I194 PolarHBondContact O-N 2.54Å; I105-I194 HydrophobicContact CD1-CD1 3.78Å; I105-I194 HydrophobicContact CD1-CG1 4.46Å; A143-I194 HydrophobicContact CB-CD1 4.03Å; I169-I194 HydrophobicContact CD1-CB 4.4Å; I169-I194 HydrophobicContact CD1-CD1 3.56Å; I169-I194 HydrophobicContact CD1-CG1 3.91Å; I169-I194 HydrophobicContact CD1-CG2 3.58Å; I194-Y196 HydrophobicContact CG2-CE1 4.1Å; I194-Y196 HydrophobicContact CG2-CE2 4.11Å |
| 195 | T | 85.1 | Confident | 69 | Low | 27 Ų | 27 | 79.3 Ų | 79.3 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 148.5 | 169.8 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | A34 L35 Q74 | A34-T195 CarbonylContact C-O 3.58Å; A34-T195 WeakPolarHBondContact CA-O 3.25Å; L35-T195 WeakPolarHBondContact CB-OG1 3.46Å; L35-T195 PolarHBondContact N-O 2.87Å; L35-T195 PolarHBondContact O-N 3.14Å; Q74-T195 HydrophobicContact CG-CG2 4.16Å |
| 196 | Y | 81.8 | Confident | 66.8 | Low | 37 Ų | 37 | 78.9 Ų | 78.9 | 15% | 0.145 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.9 | -176.5 | -63.5 | -77.1 | 0 | 0 | 0 | 110.4 | Q32 A34 V54 L75 P167 I194 | Q32-Y196 HydrophobicContact CG-CD1 4.48Å; A34-Y196 HydrophobicContact CB-CD1 4.17Å; A34-Y196 HydrophobicContact CB-CE1 4.15Å; V54-Y196 HydrophobicContact CG2-CD1 3.91Å; V54-Y196 HydrophobicContact CG2-CE1 3.85Å; L75-Y196 HydrophobicContact CD1-CE2 4.23Å; L75-Y196 WeakPolarHBondContact CD1-OH 3.36Å; P167-Y196 VanDerWaalsContact CB-OH 3.27Å; P167-Y196 WeakPolarHBondContact CB-OH 3.34Å; P167-Y196 VanDerWaalsContact CG-OH 3.32Å; P167-Y196 WeakPolarHBondContact CG-OH 3.27Å; I194-Y196 HydrophobicContact CG2-CE1 4.1Å; I194-Y196 HydrophobicContact CG2-CE2 4.11Å |
| 197 | E | 75.4 | Confident | 64.7 | Low | 101 Ų | 101 | 73.5 Ų | 73.5 | 47% | 0.472 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.8 | 174.9 | -66.8 | -172.1 | 169.6 | 0 | 0 | 109.9 | V33 L35 | V33-E197 PolarHBondContact N-O 3.47Å; V33-E197 PolarHBondContact O-N 3Å; L35-E197 VanDerWaalsContact CD1-CD 3.47Å; L35-E197 HydrophobicContact CD1-CG 4.15Å; L35-E197 WeakPolarHBondContact CD1-OE1 3.06Å |
| 198 | T | 61.3 | Low | 62.8 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 64% | 0.638 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.5 | 170.6 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | L200 | T198-L200 PolarHBondContact O-N 3.31Å |
| 199 | I | 53.3 | Low | 60.8 | Low | 71 Ų | 71 | 82.9 Ų | 82.9 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.6 | 174.5 | -56.4 | -176.2 | 0 | 0 | 0 | 107.5 | E31 V33 Q201 | E31-I199 PolarHBondContact O-N 2.98Å; V33-I199 HydrophobicContact CB-CD1 4.07Å; V33-I199 HydrophobicContact CB-CG1 4.4Å; V33-I199 HydrophobicContact CG2-CD1 3.54Å; V33-I199 HydrophobicContact CG2-CG1 4.03Å; I199-Q201 PolarHBondContact O-N 3.32Å |
| 200 | L | 43.1 | Very low | 58.6 | Low | 139 Ų | 139 | 83.8 Ų | 83.8 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | trans | -67.2 | 101.2 | 162.9 | -77.6 | 167.4 | 0 | 0 | 0 | 107.1 | T198 D202 | T198-L200 PolarHBondContact O-N 3.31Å; L200-D202 PolarHBondContact O-N 2.03Å | ||
| 201 | Q | 44.1 | Very low | 56.6 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 27% | 0.271 | 52% | 0.521 | S | S | . | . | trans | -74.7 | 71 | -179.6 | -150.3 | 166.7 | 20.4 | 0 | 0 | 109.7 | E31 I199 N203 L204 | E31-Q201 PolarHBondContact OE2-NE2 2.98Å; E31-Q201 PolarHBondContact OE2-OE1 3.5Å; I199-Q201 PolarHBondContact O-N 3.32Å; Q201-N203 PolarHBondContact O-N 2.82Å; Q201-N203 VanDerWaalsContact O-N 3.11Å; Q201-L204 VanDerWaalsContact CD-CD1 3.44Å; Q201-L204 HydrophobicContact CG-CD1 4.15Å; Q201-L204 HydrophobicContact CG-CG 4.14Å | ||
| 202 | D | 34.6 | Very low | 54.3 | Low | 143 Ų | 143 | 98.6 Ų | 98.6 | 77% | 0.765 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 112.2 | 157.8 | -80.4 | -26.9 | 0 | 0 | 0 | 106.1 | L200 | L200-D202 PolarHBondContact O-N 2.03Š|
| 203 | N | 36.9 | Very low | 52 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 83% | 0.834 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.7 | 54.5 | 176.8 | -49.7 | -75 | 0 | 0 | 0 | 118 | Q201 G205 | Q201-N203 PolarHBondContact O-N 2.82Å; Q201-N203 VanDerWaalsContact O-N 3.11Å; N203-G205 PolarHBondContact O-N 2.92Å |
| 204 | L | 42.4 | Very low | 50 | Low | 129 Ų | 129 | 104.4 Ų | 104.4 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | trans | -85.2 | 73.9 | 143.7 | -86.2 | 161 | 0 | 0 | 0 | 109.7 | Q201 A206 | Q201-L204 VanDerWaalsContact CD-CD1 3.44Å; Q201-L204 HydrophobicContact CG-CD1 4.15Å; Q201-L204 HydrophobicContact CG-CG 4.14Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.32Å; L204-A206 VanDerWaalsContact O-N 3.14Å | ||
| 205 | G | 38.6 | Very low | 48 | Very low | 57 Ų | 57 | 106.4 Ų | 106.4 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | trans | -75.6 | 86.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | N203 T207 | N203-G205 PolarHBondContact O-N 2.92Å; G205-T207 VanDerWaalsContact C-N 3.31Å; G205-T207 PolarHBondContact O-N 2.81Å; G205-T207 PolarHBondContact O-OG1 2.92Å | ||
| 206 | A | 37.1 | Very low | 46 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | trans | -58 | 96.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L204 | L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.32Å; L204-A206 VanDerWaalsContact O-N 3.14Å | ||
| 207 | T | 38.8 | Very low | 44.1 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 53% | 0.534 | 68% | 0.676 | S | S | . | * | trans | -97.9 | 110.6 | 179.5 | 28.7 | 0 | 0 | 0 | 0 | 108.2 | G205 T209 | G205-T207 VanDerWaalsContact C-N 3.31Å; G205-T207 PolarHBondContact O-N 2.81Å; G205-T207 PolarHBondContact O-OG1 2.92Å; T207-T209 PolarHBondContact O-N 3.15Å | ||
| 208 | L | 38.7 | Very low | 42.7 | Very low | 182 Ų | 182 | 127.7 Ų | 127.7 | 95% | 0.953 | 70% | 0.7 | S | S | * | * | trans | -58.3 | 98.7 | 166.5 | -76.5 | 162.1 | 0 | 0 | 0 | 108.3 | ||||
| 209 | T | 40.7 | Very low | 42.1 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -83.2 | 127.5 | 170.9 | 54 | 0 | 0 | 0 | 0 | 109.2 | T207 W211 | T207-T209 PolarHBondContact O-N 3.15Å; T209-W211 PolarHBondContact O-N 3.4Å | ||
| 210 | L | 39.3 | Very low | 41.7 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -61.2 | 135.1 | 172.1 | -141.7 | 96.9 | 0 | 0 | 0 | 108.7 | S212 | L210-S212 PolarHBondContact O-N 3.23Š| ||
| 211 | W | 44.2 | Very low | 41.9 | Very low | 254 Ų | 254 | 126.5 Ų | 126.5 | 96% | 0.962 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -50.7 | -9.9 | -179.4 | -93 | 27.4 | 0 | 0 | 0 | 116.3 | T209 S213 | T209-W211 PolarHBondContact O-N 3.4Å; W211-S213 VanDerWaalsContact C-N 3.35Å; W211-S213 PolarHBondContact O-N 2.92Å |
| 212 | S | 39.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -79.3 | -2.7 | -169 | 57.2 | 0 | 0 | 0 | 0 | 116.3 | L210 | L210-S212 PolarHBondContact O-N 3.23Š|
| 213 | S | 41.5 | Very low | 42.4 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -107.3 | -9.9 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 115.1 | W211 | W211-S213 VanDerWaalsContact C-N 3.35Å; W211-S213 PolarHBondContact O-N 2.92Å |
| 214 | C | 45.9 | Very low | 43 | Very low | 62 Ų | 62 | 131.4 Ų | 131.4 | 42% | 0.419 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -99.4 | 112.3 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | C230 | C214-C230 HydrophobicContact CB-CB 3.77Å; C214-C230 WeakPolarHBondContact CB-SG 3.09Å; C214-C230 WeakPolarHBondContact SG-CB 3.31Å; C214-C230 CovalentContact SG-SG 2.03Å; C214-C230 PolarHBondContact SG-SG 3.24Å |
| 215 | G | 45 | Very low | 43.2 | Very low | 43 Ų | 43 | 132.2 Ų | 132.2 | 44% | 0.443 | 73% | 0.733 | S | S | . | * | trans | 115.1 | 64.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 216 | R | 44.3 | Very low | 43.2 | Very low | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -145 | 77.2 | 151 | -73.5 | -162.3 | 131.9 | 89 | 0.4 | 111.7 | ||||
| 217 | S | 40.2 | Very low | 43.7 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -115.9 | 139.3 | 151.9 | -86.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 218 | R | 46.4 | Very low | 43.7 | Very low | 258 Ų | 258 | 137.4 Ų | 137.4 | 97% | 0.974 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -63.5 | 124 | -162.7 | -71.8 | 165.3 | 152.4 | 142.7 | -6.9 | 113.5 | ||
| 219 | G | 48.3 | Very low | 44.2 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | 114.5 | 16.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 220 | G | 46 | Very low | 44.3 | Very low | 48 Ų | 48 | 134 Ų | 134 | 50% | 0.495 | 73% | 0.727 | S | S | . | * | trans | -96.7 | 145 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 221 | L | 46.8 | Very low | 44.6 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | trans | -64 | 148.6 | 174.3 | -97.6 | 86.2 | 0 | 0 | 0 | 111.6 | G223 | L221-G223 PolarHBondContact O-N 2.79Š| ||
| 222 | Y | 40 | Very low | 44.6 | Very low | 249 Ų | 249 | 123.6 Ų | 123.6 | 98% | 0.976 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 102.1 | 178.2 | -98.4 | -101.2 | 0 | 0 | 0 | 111.2 | ||
| 223 | G | 50.3 | Low | 44.8 | Very low | 51 Ų | 51 | 125.9 Ų | 125.9 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 163.1 | -25.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L221 W225 | L221-G223 PolarHBondContact O-N 2.79Å; G223-W225 VanDerWaalsContact C-N 3.29Å; G223-W225 PolarHBondContact O-N 3.31Å |
| 224 | E | 49.3 | Very low | 45.1 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 5.4 | -175.5 | -74.6 | -179.3 | 146.3 | 0 | 0 | 115.3 | ||
| 225 | W | 46.9 | Very low | 45.1 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 55% | 0.553 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -0.5 | -173.4 | -61.2 | 93.6 | 0 | 0 | 0 | 114.8 | G223 G227 V228 | G223-W225 VanDerWaalsContact C-N 3.29Å; G223-W225 PolarHBondContact O-N 3.31Å; W225-G227 PolarHBondContact O-N 3.49Å; W225-V228 HydrophobicContact CE3-CG2 3.98Å |
| 226 | Q | 37.3 | Very low | 45.5 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -84.2 | 90.5 | 174.5 | -96.9 | 142.4 | -41.7 | 0 | 0 | 110.2 | ||
| 227 | G | 47.8 | Very low | 45.9 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 141.2 | -11.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | W225 I229 | W225-G227 PolarHBondContact O-N 3.49Å; G227-I229 PolarHBondContact O-N 3.35Å |
| 228 | V | 40 | Very low | 46.8 | Very low | 97 Ų | 97 | 122.4 Ų | 122.4 | 59% | 0.588 | 69% | 0.685 | S | S | * | * | trans | -85.3 | 94.8 | 176.4 | -99.6 | 0 | 0 | 0 | 0 | 110.6 | W225 | W225-V228 HydrophobicContact CE3-CG2 3.98Š| ||
| 229 | I | 48.2 | Very low | 47.3 | Very low | 150 Ų | 150 | 114 Ų | 114 | 77% | 0.769 | 66% | 0.657 | S | S | * | * | trans | -81.3 | 116.3 | 161.9 | -61.9 | 159.8 | 0 | 0 | 0 | 106 | G227 T231 | G227-I229 PolarHBondContact O-N 3.35Å; I229-T231 PolarHBondContact O-N 3.34Å | ||
| 230 | C | 43 | Very low | 48 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 55% | 0.547 | 65% | 0.645 | S | S | . | * | trans | -62.5 | 99.7 | 170.2 | -86.9 | 0 | 0 | 0 | 0 | 108.7 | C214 G232 | C214-C230 HydrophobicContact CB-CB 3.77Å; C214-C230 WeakPolarHBondContact CB-SG 3.09Å; C214-C230 WeakPolarHBondContact SG-CB 3.31Å; C214-C230 CovalentContact SG-SG 2.03Å; C214-C230 PolarHBondContact SG-SG 3.24Å; C230-G232 VanDerWaalsContact C-N 3.31Å; C230-G232 PolarHBondContact O-N 2.9Å | ||
| 231 | T | 46.1 | Very low | 49.2 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | trans | -66.3 | 99.1 | 159.7 | 52 | 0 | 0 | 0 | 0 | 105.8 | I229 E233 | I229-T231 PolarHBondContact O-N 3.34Å; T231-E233 PolarHBondContact O-N 3.38Å | ||
| 232 | G | 44.2 | Very low | 50.6 | Low | 62 Ų | 62 | 119 Ų | 119 | 64% | 0.639 | 64% | 0.636 | S | S | * | * | trans | -51.5 | 116.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | C230 S234 | C230-G232 VanDerWaalsContact C-N 3.31Å; C230-G232 PolarHBondContact O-N 2.9Å; G232-S234 PolarHBondContact O-N 2.94Å | ||
| 233 | E | 42.7 | Very low | 52.1 | Low | 151 Ų | 151 | 111.7 Ų | 111.7 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | trans | -58.6 | 103.1 | 173.5 | -176.6 | 162 | -155.3 | 0 | 0 | 107.6 | T231 N235 S236 | T231-E233 PolarHBondContact O-N 3.38Å; E233-N235 PolarHBondContact O-N 3.04Å; E233-S236 PolarHBondContact O-N 3.43Å; E233-S236 VanDerWaalsContact O-N 3.15Å | ||
| 234 | S | 47.7 | Very low | 53.5 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -3.3 | -175.3 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | G232 | G232-S234 PolarHBondContact O-N 2.94Š|
| 235 | N | 46 | Very low | 55.2 | Low | 122 Ų | 122 | 112.6 Ų | 112.6 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 21.4 | 179.9 | -81.5 | -58.6 | 0 | 0 | 0 | 114.5 | E233 Q237 | E233-N235 PolarHBondContact O-N 3.04Å; N235-Q237 PolarHBondContact O-N 3.31Å |
| 236 | S | 53.3 | Low | 56.8 | Low | 38 Ų | 38 | 112.9 Ų | 112.9 | 27% | 0.266 | 61% | 0.605 | S | S | . | * | trans | -68.7 | 131.6 | 170.6 | 71.5 | 0 | 0 | 0 | 0 | 110.9 | E233 V238 Q239 | E233-S236 PolarHBondContact O-N 3.43Å; E233-S236 VanDerWaalsContact O-N 3.15Å; S236-V238 PolarHBondContact O-N 2.85Å; S236-Q239 WeakPolarHBondContact O-CB 3.49Å; S236-Q239 PolarHBondContact O-N 3.22Å; S236-Q239 WeakPolarHBondContact OG-CB 3.48Å; S236-Q239 PolarHBondContact OG-N 3.46Å | ||
| 237 | Q | 54.3 | Low | 58.7 | Low | 151 Ų | 151 | 108 Ų | 108 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -50.3 | -32.8 | 173.9 | -116 | 167 | -12.5 | 0 | 0 | 111.6 | N235 K240 Y241 | N235-Q237 PolarHBondContact O-N 3.31Å; Q237-K240 PolarHBondContact O-N 3.11Å; Q237-Y241 WeakPolarHBondContact O-CD2 3.35Å; Q237-Y241 PolarHBondContact O-N 3.36Å |
| 238 | V | 58.1 | Low | 60.7 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | 178 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | S236 K240 Y241 L242 | S236-V238 PolarHBondContact O-N 2.85Å; V238-K240 VanDerWaalsContact C-N 3.35Å; V238-K240 PolarHBondContact O-N 2.97Å; V238-Y241 PolarHBondContact O-N 3.46Å; V238-L242 PolarHBondContact O-N 3.29Å |
| 239 | Q | 57.5 | Low | 63.2 | Low | 81 Ų | 81 | 107 Ų | 107 | 38% | 0.379 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.4 | -33.8 | 178.4 | -171.3 | 160.4 | -40.9 | 0 | 0 | 112.1 | S236 L242 Q243 | S236-Q239 WeakPolarHBondContact O-CB 3.49Å; S236-Q239 PolarHBondContact O-N 3.22Å; S236-Q239 WeakPolarHBondContact OG-CB 3.48Å; S236-Q239 PolarHBondContact OG-N 3.46Å; Q239-L242 PolarHBondContact O-N 2.86Å; Q239-Q243 WeakPolarHBondContact O-CB 3.3Å; Q239-Q243 PolarHBondContact O-N 3.44Å |
| 240 | K | 62.6 | Low | 65.1 | Low | 138 Ų | 138 | 104.7 Ų | 104.7 | 60% | 0.6 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.1 | -43.7 | 171.9 | -66.7 | -176.6 | 178.9 | 177.1 | 0 | 111.6 | Q237 V238 Q244 | Q237-K240 PolarHBondContact O-N 3.11Å; V238-K240 VanDerWaalsContact C-N 3.35Å; V238-K240 PolarHBondContact O-N 2.97Å; K240-Q244 VanDerWaalsContact O-CB 3.26Å; K240-Q244 WeakPolarHBondContact O-CB 3.42Å; K240-Q244 PolarHBondContact O-N 3.21Å |
| 241 | Y | 71.6 | Confident | 67.4 | Low | 157 Ų | 157 | 105.9 Ų | 105.9 | 62% | 0.616 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 175.6 | -72.2 | -69.5 | 0 | 0 | 0 | 112.5 | Q237 V238 L245 | Q237-Y241 WeakPolarHBondContact O-CD2 3.35Å; Q237-Y241 PolarHBondContact O-N 3.36Å; V238-Y241 PolarHBondContact O-N 3.46Å; Y241-L245 WeakPolarHBondContact O-CB 3.03Å; Y241-L245 PolarHBondContact O-N 2.92Å |
| 242 | L | 75.7 | Confident | 69.7 | Low | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 179 | -146 | 87.6 | 0 | 0 | 0 | 111.6 | V238 Q239 L245 W246 | V238-L242 PolarHBondContact O-N 3.29Å; Q239-L242 PolarHBondContact O-N 2.86Å; L242-L245 VanDerWaalsContact O-CB 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 3.27Å; L242-W246 PolarHBondContact O-N 2.98Å |
| 243 | Q | 71.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 103.2 Ų | 103.2 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 176.5 | -170.6 | 65.1 | 22.6 | 0 | 0 | 110.8 | Q239 L245 W246 D247 | Q239-Q243 WeakPolarHBondContact O-CB 3.3Å; Q239-Q243 PolarHBondContact O-N 3.44Å; Q243-L245 PolarHBondContact O-N 3.07Å; Q243-W246 PolarHBondContact O-N 2.93Å; Q243-W246 VanDerWaalsContact O-N 3.11Å; Q243-D247 VanDerWaalsContact O-CG 3.31Å; Q243-D247 PolarHBondContact O-N 3.34Å |
| 244 | Q | 78.6 | Confident | 74.4 | Confident | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.7 | -34.2 | 176.4 | -167.5 | 167.5 | -14.3 | 0 | 0 | 111.8 | K240 T248 | K240-Q244 VanDerWaalsContact O-CB 3.26Å; K240-Q244 WeakPolarHBondContact O-CB 3.42Å; K240-Q244 PolarHBondContact O-N 3.21Å; Q244-T248 VanDerWaalsContact O-CG2 3.24Å; Q244-T248 WeakPolarHBondContact O-CG2 3.26Å; Q244-T248 PolarHBondContact O-N 3.37Å; Q244-T248 VanDerWaalsContact O-N 3.07Å; Q244-T248 PolarHBondContact O-OG1 2.95Å |
| 245 | L | 86.8 | Confident | 76.6 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 172 | -119.6 | 160.9 | 0 | 0 | 0 | 111.5 | Y241 L242 Q243 D247 T248 V249 | Y241-L245 WeakPolarHBondContact O-CB 3.03Å; Y241-L245 PolarHBondContact O-N 2.92Å; L242-L245 VanDerWaalsContact O-CB 3.3Å; L242-L245 WeakPolarHBondContact O-CB 3.46Å; L242-L245 PolarHBondContact O-N 3.27Å; Q243-L245 PolarHBondContact O-N 3.07Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 3.11Å; L245-T248 PolarHBondContact O-N 2.9Å; L245-T248 PolarHBondContact O-OG1 3.37Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.34Å |
| 246 | W | 79.8 | Confident | 78.9 | Confident | 152 Ų | 152 | 101.5 Ų | 101.5 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -39.4 | 178.2 | -81.5 | 108.6 | 0 | 0 | 0 | 113.1 | L242 Q243 T248 V249 L250 | L242-W246 PolarHBondContact O-N 2.98Å; Q243-W246 PolarHBondContact O-N 2.93Å; Q243-W246 VanDerWaalsContact O-N 3.11Å; W246-T248 VanDerWaalsContact C-N 3.32Å; W246-T248 PolarHBondContact O-N 2.95Å; W246-V249 PolarHBondContact O-N 2.99Å; W246-L250 WeakPolarHBondContact O-CB 3.25Å; W246-L250 PolarHBondContact O-N 2.9Å |
| 247 | D | 76.6 | Confident | 80.6 | Confident | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175.5 | -68.9 | -20.3 | 0 | 0 | 0 | 111 | Q243 L245 L250 L251 | Q243-D247 VanDerWaalsContact O-CG 3.31Å; Q243-D247 PolarHBondContact O-N 3.34Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 3.11Å; D247-L250 PolarHBondContact O-N 3.38Å; D247-L251 VanDerWaalsContact O-CB 3.26Å; D247-L251 WeakPolarHBondContact O-CB 3.24Å; D247-L251 PolarHBondContact O-N 2.87Å |
| 248 | T | 89.9 | Confident | 82.2 | Confident | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 174.7 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | Q244 L245 W246 L251 V252 | Q244-T248 VanDerWaalsContact O-CG2 3.24Å; Q244-T248 WeakPolarHBondContact O-CG2 3.26Å; Q244-T248 PolarHBondContact O-N 3.37Å; Q244-T248 VanDerWaalsContact O-N 3.07Å; Q244-T248 PolarHBondContact O-OG1 2.95Å; L245-T248 PolarHBondContact O-N 2.9Å; L245-T248 PolarHBondContact O-OG1 3.37Å; W246-T248 VanDerWaalsContact C-N 3.32Å; W246-T248 PolarHBondContact O-N 2.95Å; T248-L251 PolarHBondContact O-N 2.92Å; T248-V252 VanDerWaalsContact O-CG2 3.28Å; T248-V252 WeakPolarHBondContact O-CG2 3.26Å; T248-V252 PolarHBondContact O-N 3.25Å |
| 249 | V | 93.1 | Very high | 83.7 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | L245 W246 V252 A253 | L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.34Å; W246-V249 PolarHBondContact O-N 2.99Å; V249-V252 PolarHBondContact O-N 3.43Å; V249-A253 WeakPolarHBondContact O-CB 3.38Å; V249-A253 PolarHBondContact O-N 3.41Å |
| 250 | L | 89 | Confident | 85.3 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 175.6 | -85.2 | 166.4 | 0 | 0 | 0 | 111.6 | W246 D247 V252 A253 L254 | W246-L250 WeakPolarHBondContact O-CB 3.25Å; W246-L250 PolarHBondContact O-N 2.9Å; D247-L250 PolarHBondContact O-N 3.38Å; L250-V252 PolarHBondContact O-N 3.27Å; L250-A253 PolarHBondContact O-N 2.95Å; L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.2Å |
| 251 | L | 91.3 | Very high | 86.4 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 178.6 | -173.3 | 141.9 | 0 | 0 | 0 | 111.7 | D247 T248 L254 I255 | D247-L251 VanDerWaalsContact O-CB 3.26Å; D247-L251 WeakPolarHBondContact O-CB 3.24Å; D247-L251 PolarHBondContact O-N 2.87Å; T248-L251 PolarHBondContact O-N 2.92Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-I255 HydrophobicContact CD2-CD1 3.55Å; L251-I255 HydrophobicContact CD2-CG1 4.49Å; L251-I255 HydrophobicContact CG-CD1 4.4Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 3.5Å |
| 252 | V | 94.4 | Very high | 87.1 | Confident | 79 Ų | 79 | 91.7 Ų | 91.7 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 111 | T248 V249 L250 L254 I255 L256 | T248-V252 VanDerWaalsContact O-CG2 3.28Å; T248-V252 WeakPolarHBondContact O-CG2 3.26Å; T248-V252 PolarHBondContact O-N 3.25Å; V249-V252 PolarHBondContact O-N 3.43Å; L250-V252 PolarHBondContact O-N 3.27Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.96Å; V252-I255 PolarHBondContact O-N 2.94Å; V252-L256 HydrophobicContact CG1-CD1 4.16Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CG 3.39Å; V252-L256 PolarHBondContact O-N 3.5Å |
| 253 | A | 93.1 | Very high | 87.3 | Confident | 44 Ų | 44 | 93 Ų | 93 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V249 L250 L256 C257 | V249-A253 WeakPolarHBondContact O-CB 3.38Å; V249-A253 PolarHBondContact O-N 3.41Å; L250-A253 PolarHBondContact O-N 2.95Å; A253-L256 PolarHBondContact O-N 2.68Å; A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 2.94Å; A253-C257 PolarHBondContact O-SG 3.13Å |
| 254 | L | 92.1 | Very high | 87.5 | Confident | 111 Ų | 111 | 91 Ų | 91 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 175.4 | -71.2 | 175.7 | 0 | 0 | 0 | 112.3 | L250 L251 V252 L256 C257 T258 | L250-L254 WeakPolarHBondContact O-CG 3.41Å; L250-L254 PolarHBondContact O-N 3.2Å; L251-L254 PolarHBondContact O-N 2.92Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 2.96Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.86Å; L254-C257 PolarHBondContact O-N 3.39Å; L254-T258 WeakPolarHBondContact O-CB 3.36Å; L254-T258 WeakPolarHBondContact O-CG2 3.32Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-T258 PolarHBondContact O-OG1 2.75Å |
| 255 | I | 93.7 | Very high | 87.5 | Confident | 101 Ų | 101 | 93.8 Ų | 93.8 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.7 | -69.3 | 170.2 | 0 | 0 | 0 | 110.8 | L251 V252 T258 G259 | L251-I255 HydrophobicContact CD2-CD1 3.55Å; L251-I255 HydrophobicContact CD2-CG1 4.49Å; L251-I255 HydrophobicContact CG-CD1 4.4Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.32Å; L251-I255 PolarHBondContact O-N 3.5Å; V252-I255 PolarHBondContact O-N 2.94Å; I255-T258 WeakPolarHBondContact CA-OG1 3.46Å; I255-T258 PolarHBondContact O-OG1 3.07Å; I255-G259 PolarHBondContact O-N 3.16Å |
| 256 | L | 93.6 | Very high | 86.8 | Confident | 113 Ų | 113 | 98.1 Ų | 98.1 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 176.7 | -67.6 | 175.7 | 0 | 0 | 0 | 111.8 | V252 A253 L254 G259 V260 | V252-L256 HydrophobicContact CG1-CD1 4.16Å; V252-L256 HydrophobicContact CG1-CG 4.46Å; V252-L256 WeakPolarHBondContact O-CG 3.39Å; V252-L256 PolarHBondContact O-N 3.5Å; A253-L256 PolarHBondContact O-N 2.68Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 2.86Å; L256-G259 PolarHBondContact O-N 2.99Å; L256-V260 WeakPolarHBondContact O-CG2 3.28Å; L256-V260 PolarHBondContact O-N 3.31Å |
| 257 | C | 89.7 | Confident | 86.3 | Confident | 74 Ų | 74 | 97.2 Ų | 97.2 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.9 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | A253 L254 G259 V260 I261 | A253-C257 WeakPolarHBondContact O-CB 3.35Å; A253-C257 PolarHBondContact O-N 2.94Å; A253-C257 PolarHBondContact O-SG 3.13Å; L254-C257 PolarHBondContact O-N 3.39Å; C257-G259 VanDerWaalsContact C-N 3.34Å; C257-V260 PolarHBondContact O-N 2.71Å; C257-I261 WeakPolarHBondContact O-CD1 3.12Å; C257-I261 VanDerWaalsContact O-CG1 3.25Å; C257-I261 WeakPolarHBondContact O-CG1 3.46Å; C257-I261 PolarHBondContact O-N 3.01Å |
| 258 | T | 88.6 | Confident | 85.7 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | L254 I255 I261 V262 | L254-T258 WeakPolarHBondContact O-CB 3.36Å; L254-T258 WeakPolarHBondContact O-CG2 3.32Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-T258 PolarHBondContact O-OG1 2.75Å; I255-T258 WeakPolarHBondContact CA-OG1 3.46Å; I255-T258 PolarHBondContact O-OG1 3.07Å; T258-I261 PolarHBondContact O-N 3.28Å; T258-V262 WeakPolarHBondContact O-CB 3.45Å; T258-V262 VanDerWaalsContact O-CG2 3.26Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 2.89Å |
| 259 | G | 89.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 103.4 Ų | 103.4 | 38% | 0.381 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I255 L256 C257 V262 Q263 | I255-G259 PolarHBondContact O-N 3.16Å; L256-G259 PolarHBondContact O-N 2.99Å; C257-G259 VanDerWaalsContact C-N 3.34Å; G259-V262 PolarHBondContact O-N 3.01Å; G259-Q263 WeakPolarHBondContact O-CB 3.3Å; G259-Q263 PolarHBondContact O-N 2.85Å |
| 260 | V | 90.3 | Very high | 82.8 | Confident | 97 Ų | 97 | 105 Ų | 105 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L256 C257 Q263 A264 | L256-V260 WeakPolarHBondContact O-CG2 3.28Å; L256-V260 PolarHBondContact O-N 3.31Å; C257-V260 PolarHBondContact O-N 2.71Å; V260-Q263 PolarHBondContact O-N 3.24Å; V260-A264 VanDerWaalsContact O-CB 3.29Å; V260-A264 WeakPolarHBondContact O-CB 3.48Å; V260-A264 PolarHBondContact O-N 3.31Å |
| 261 | I | 85.8 | Confident | 81.4 | Confident | 97 Ų | 97 | 106 Ų | 106 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.7 | -66.9 | 163.4 | 0 | 0 | 0 | 111 | C257 T258 R265 | C257-I261 WeakPolarHBondContact O-CD1 3.12Å; C257-I261 VanDerWaalsContact O-CG1 3.25Å; C257-I261 WeakPolarHBondContact O-CG1 3.46Å; C257-I261 PolarHBondContact O-N 3.01Å; T258-I261 PolarHBondContact O-N 3.28Å; I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 WeakPolarHBondContact O-CG 3.48Å; I261-R265 PolarHBondContact O-N 2.93Å |
| 262 | V | 85.2 | Confident | 79.9 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | T258 G259 R265 W266 | T258-V262 WeakPolarHBondContact O-CB 3.45Å; T258-V262 VanDerWaalsContact O-CG2 3.26Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 2.89Å; G259-V262 PolarHBondContact O-N 3.01Å; V262-R265 PolarHBondContact O-N 3.26Å; V262-W266 WeakPolarHBondContact O-CB 3.3Å; V262-W266 VanDerWaalsContact O-CD1 3.25Å; V262-W266 PolarHBondContact O-N 2.81Å |
| 263 | Q | 80.5 | Confident | 78.3 | Confident | 126 Ų | 126 | 103.6 Ų | 103.6 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 177.6 | -170.4 | 171.5 | -8.2 | 0 | 0 | 112.1 | G259 V260 R265 W266 Q267 | G259-Q263 WeakPolarHBondContact O-CB 3.3Å; G259-Q263 PolarHBondContact O-N 2.85Å; V260-Q263 PolarHBondContact O-N 3.24Å; Q263-R265 PolarHBondContact O-N 3.37Å; Q263-W266 PolarHBondContact O-N 3.43Å; Q263-Q267 PolarHBondContact O-N 3.24Å |
| 264 | A | 76.9 | Confident | 76.7 | Confident | 52 Ų | 52 | 105.6 Ų | 105.6 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V260 Y268 | V260-A264 VanDerWaalsContact O-CB 3.29Å; V260-A264 WeakPolarHBondContact O-CB 3.48Å; V260-A264 PolarHBondContact O-N 3.31Å; A264-Y268 WeakPolarHBondContact O-CB 3.38Å; A264-Y268 PolarHBondContact O-N 3.37Å |
| 265 | R | 78.1 | Confident | 75.1 | Confident | 185 Ų | 185 | 106.2 Ų | 106.2 | 70% | 0.698 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.2 | -38.9 | 174.4 | -77.8 | -174.2 | 173.9 | -162.9 | -0.7 | 112.6 | I261 V262 Q263 Y268 Q269 | I261-R265 WeakPolarHBondContact O-CB 3.29Å; I261-R265 WeakPolarHBondContact O-CG 3.48Å; I261-R265 PolarHBondContact O-N 2.93Å; V262-R265 PolarHBondContact O-N 3.26Å; Q263-R265 PolarHBondContact O-N 3.37Å; R265-Y268 PolarHBondContact O-N 3.31Å; R265-Q269 VanDerWaalsContact O-CB 3.29Å; R265-Q269 WeakPolarHBondContact O-CB 3.37Å; R265-Q269 PolarHBondContact O-N 2.92Å |
| 266 | W | 71.5 | Confident | 73.4 | Confident | 197 Ų | 197 | 105.9 Ų | 105.9 | 75% | 0.746 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -46 | 175.6 | -92.2 | 65.3 | 0 | 0 | 0 | 111.8 | V262 Q263 Y268 Q269 D270 | V262-W266 WeakPolarHBondContact O-CB 3.3Å; V262-W266 VanDerWaalsContact O-CD1 3.25Å; V262-W266 PolarHBondContact O-N 2.81Å; Q263-W266 PolarHBondContact O-N 3.43Å; W266-Y268 PolarHBondContact O-N 3.37Å; W266-Q269 PolarHBondContact O-N 2.93Å; W266-D270 PolarHBondContact O-N 3.11Å |
| 267 | Q | 70.3 | Confident | 71.7 | Confident | 133 Ų | 133 | 105.3 Ų | 105.3 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 175.3 | -94.3 | 176.6 | -43.9 | 0 | 0 | 112.4 | Q263 Q269 D270 D271 | Q263-Q267 PolarHBondContact O-N 3.24Å; Q267-Q269 PolarHBondContact O-N 2.85Å; Q267-D270 PolarHBondContact O-N 2.93Å; Q267-D271 PolarHBondContact O-N 3.45Å; Q267-D271 VanDerWaalsContact O-N 3.15Å |
| 268 | Y | 63.7 | Low | 70.3 | Confident | 173 Ų | 173 | 107.3 Ų | 107.3 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 177.1 | -176.8 | -95.5 | 0 | 0 | 0 | 112.8 | A264 R265 W266 N272 | A264-Y268 WeakPolarHBondContact O-CB 3.38Å; A264-Y268 PolarHBondContact O-N 3.37Å; R265-Y268 PolarHBondContact O-N 3.31Å; W266-Y268 PolarHBondContact O-N 3.37Å; Y268-N272 WeakPolarHBondContact O-CB 3.44Å; Y268-N272 PolarHBondContact O-N 3.19Å; Y268-N272 VanDerWaalsContact O-N 3.11Å |
| 269 | Q | 61.8 | Low | 68.9 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.6 | -173.1 | 89.6 | 26 | 0 | 0 | 111.2 | R265 W266 Q267 N272 D273 | R265-Q269 VanDerWaalsContact O-CB 3.29Å; R265-Q269 WeakPolarHBondContact O-CB 3.37Å; R265-Q269 PolarHBondContact O-N 2.92Å; W266-Q269 PolarHBondContact O-N 2.93Å; Q267-Q269 PolarHBondContact O-N 2.85Å; Q269-N272 PolarHBondContact O-N 2.87Å; Q269-D273 PolarHBondContact NE2-OD2 3.37Å; Q269-D273 WeakPolarHBondContact O-CB 3.17Å; Q269-D273 PolarHBondContact O-N 3.29Å |
| 270 | D | 60.1 | Low | 67.7 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 57% | 0.567 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.5 | -38.2 | -177.2 | -162.7 | 38.7 | 0 | 0 | 0 | 112.6 | W266 Q267 N274 | W266-D270 PolarHBondContact O-N 3.11Å; Q267-D270 PolarHBondContact O-N 2.93Å; D270-N274 WeakPolarHBondContact O-CB 3.29Å; D270-N274 PolarHBondContact O-N 3.5Å; D270-N274 VanDerWaalsContact O-N 3.1Å; D270-N274 PolarHBondContact O-ND2 3.34Å; D270-N274 PolarHBondContact OD1-ND2 2.96Å |
| 271 | D | 59.6 | Low | 66.7 | Low | 123 Ų | 123 | 111.6 Ų | 111.6 | 66% | 0.658 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.9 | -41.5 | 173.3 | -94.7 | -20.1 | 0 | 0 | 0 | 112 | Q267 L275 | Q267-D271 PolarHBondContact O-N 3.45Å; Q267-D271 VanDerWaalsContact O-N 3.15Å; D271-L275 WeakPolarHBondContact O-CB 3.48Å; D271-L275 PolarHBondContact O-N 3.49Å |
| 272 | N | 59.4 | Low | 66.1 | Low | 65 Ų | 65 | 112 Ų | 112 | 35% | 0.348 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 179.1 | -172.5 | 63.9 | 0 | 0 | 0 | 112.3 | Y268 Q269 L275 E276 | Y268-N272 WeakPolarHBondContact O-CB 3.44Å; Y268-N272 PolarHBondContact O-N 3.19Å; Y268-N272 VanDerWaalsContact O-N 3.11Å; Q269-N272 PolarHBondContact O-N 2.87Å; N272-L275 PolarHBondContact O-N 2.87Å; N272-E276 WeakPolarHBondContact O-CB 3.41Å; N272-E276 PolarHBondContact O-N 3.33Å |
| 273 | D | 60.8 | Low | 65.5 | Low | 69 Ų | 69 | 108.3 Ų | 108.3 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 179.2 | -72.9 | -25.5 | 0 | 0 | 0 | 111.5 | Q269 L277 | Q269-D273 PolarHBondContact NE2-OD2 3.37Å; Q269-D273 WeakPolarHBondContact O-CB 3.17Å; Q269-D273 PolarHBondContact O-N 3.29Å; D273-L277 WeakPolarHBondContact O-CB 3.36Å; D273-L277 WeakPolarHBondContact O-CD1 3.44Å; D273-L277 VanDerWaalsContact O-CG 3.29Å; D273-L277 WeakPolarHBondContact O-CG 3.29Å; D273-L277 PolarHBondContact O-N 2.88Å |
| 274 | N | 59 | Low | 65.4 | Low | 85 Ų | 85 | 106.9 Ų | 106.9 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 173 | -85.3 | -69.6 | 0 | 0 | 0 | 112.5 | D270 E276 L277 L278 | D270-N274 WeakPolarHBondContact O-CB 3.29Å; D270-N274 PolarHBondContact O-N 3.5Å; D270-N274 VanDerWaalsContact O-N 3.1Å; D270-N274 PolarHBondContact O-ND2 3.34Å; D270-N274 PolarHBondContact OD1-ND2 2.96Å; N274-E276 VanDerWaalsContact C-N 3.35Å; N274-L277 PolarHBondContact O-N 3.28Å; N274-L278 PolarHBondContact O-N 3.08Å |
| 275 | L | 59.3 | Low | 65.5 | Low | 124 Ų | 124 | 111.8 Ų | 111.8 | 65% | 0.649 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.8 | -28.9 | 178.9 | -171.1 | 63.4 | 0 | 0 | 0 | 112.8 | D271 N272 P279 | D271-L275 WeakPolarHBondContact O-CB 3.48Å; D271-L275 PolarHBondContact O-N 3.49Å; N272-L275 PolarHBondContact O-N 2.87Å; L275-P279 WeakPolarHBondContact O-CD 3.47Å; L275-P279 WeakPolarHBondContact O-CG 3.26Å |
| 276 | E | 57.4 | Low | 65.6 | Low | 95 Ų | 95 | 107.3 Ų | 107.3 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -79.9 | -26.8 | 174.1 | -89.1 | -153.2 | -179.3 | 0 | 0 | 114.2 | N272 N274 K280 | N272-E276 WeakPolarHBondContact O-CB 3.41Å; N272-E276 PolarHBondContact O-N 3.33Å; N274-E276 VanDerWaalsContact C-N 3.35Å; E276-K280 WeakPolarHBondContact O-CD 3.47Å; E276-K280 WeakPolarHBondContact O-CG 3.46Å; E276-K280 IonicContact OE2-NZ 3.04Å; E276-K280 PolarHBondContact OE2-NZ 2.88Å |
| 277 | L | 59.1 | Low | 66.1 | Low | 101 Ų | 101 | 98.3 Ų | 98.3 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -80.8 | -33.9 | -177.1 | -79.3 | 166.6 | 0 | 0 | 0 | 113.4 | D273 N274 | D273-L277 WeakPolarHBondContact O-CB 3.36Å; D273-L277 WeakPolarHBondContact O-CD1 3.44Å; D273-L277 VanDerWaalsContact O-CG 3.29Å; D273-L277 WeakPolarHBondContact O-CG 3.29Å; D273-L277 PolarHBondContact O-N 2.88Å; N274-L277 PolarHBondContact O-N 3.28Å |
| 278 | L | 58.3 | Low | 66.5 | Low | 115 Ų | 115 | 96.4 Ų | 96.4 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.6 | -47.9 | 179 | -82 | 162.4 | 0 | 0 | 0 | 113.8 | N274 K280 Q281 | N274-L278 PolarHBondContact O-N 3.08Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 2.86Å; L278-Q281 PolarHBondContact O-N 2.92Å |
| 279 | P | 60 | Low | 67.4 | Low | 60 Ų | 60 | 92 Ų | 92 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -34.4 | -179.7 | -18.6 | 29.6 | 0 | 0 | 0 | 113.1 | L275 Q281 V283 | L275-P279 WeakPolarHBondContact O-CD 3.47Å; L275-P279 WeakPolarHBondContact O-CG 3.26Å; P279-Q281 PolarHBondContact O-N 3.26Å; P279-V283 WeakPolarHBondContact O-CB 3.36Å; P279-V283 WeakPolarHBondContact O-CG2 3.18Å; P279-V283 PolarHBondContact O-N 2.92Å; P279-V283 VanDerWaalsContact O-N 3.13Å |
| 280 | K | 65.6 | Low | 68.4 | Low | 110 Ų | 110 | 87.4 Ų | 87.4 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | -176.7 | -70.6 | 173.4 | -172.5 | 158.8 | 0 | 111.7 | E276 L278 L284 | E276-K280 WeakPolarHBondContact O-CD 3.47Å; E276-K280 WeakPolarHBondContact O-CG 3.46Å; E276-K280 IonicContact OE2-NZ 3.04Å; E276-K280 PolarHBondContact OE2-NZ 2.88Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 2.86Å; K280-L284 WeakPolarHBondContact O-CB 3.29Å; K280-L284 WeakPolarHBondContact O-CD1 3.19Å; K280-L284 VanDerWaalsContact O-CG 3.25Å; K280-L284 WeakPolarHBondContact O-CG 3.33Å; K280-L284 PolarHBondContact O-N 3.5Å; K280-L284 VanDerWaalsContact O-N 3.09Å |
| 281 | Q | 69.5 | Low | 69.6 | Low | 133 Ų | 133 | 89.9 Ų | 89.9 | 62% | 0.621 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.8 | -42.7 | 177.6 | -69.9 | -172.1 | 41 | 0 | 0 | 112.5 | L278 P279 V283 L284 K285 | L278-Q281 PolarHBondContact O-N 2.92Å; P279-Q281 PolarHBondContact O-N 3.26Å; Q281-V283 VanDerWaalsContact C-N 3.34Å; Q281-V283 PolarHBondContact O-N 3.42Å; Q281-L284 PolarHBondContact O-N 2.86Å; Q281-K285 WeakPolarHBondContact O-CB 3.36Å; Q281-K285 PolarHBondContact O-N 3.35Å |
| 282 | D | 71.3 | Confident | 70.9 | Confident | 105 Ų | 105 | 87.9 Ų | 87.9 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 178.9 | -74.4 | -25.8 | 0 | 0 | 0 | 112 | K285 K286 | D282-K285 PolarHBondContact O-N 3.2Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.43Å |
| 283 | V | 73.6 | Confident | 72.1 | Confident | 4 Ų | 4 | 89.3 Ų | 89.3 | 2% | 0.024 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | P279 Q281 K285 K286 M287 H348 L358 | P279-V283 WeakPolarHBondContact O-CB 3.36Å; P279-V283 WeakPolarHBondContact O-CG2 3.18Å; P279-V283 PolarHBondContact O-N 2.92Å; P279-V283 VanDerWaalsContact O-N 3.13Å; Q281-V283 VanDerWaalsContact C-N 3.34Å; Q281-V283 PolarHBondContact O-N 3.42Å; V283-K285 VanDerWaalsContact C-N 3.34Å; V283-K285 PolarHBondContact O-N 3.28Å; V283-K286 PolarHBondContact O-N 2.78Å; V283-M287 HydrophobicContact CG1-CG 4.24Å; V283-M287 HydrophobicContact CG1-SD 3.76Å; V283-M287 WeakPolarHBondContact O-CB 3.46Å; V283-M287 WeakPolarHBondContact O-CG 3.21Å; V283-M287 PolarHBondContact O-N 3.44Å; V283-H348 WeakPolarHBondContact CG2-CE1 3.02Å; V283-H348 WeakPolarHBondContact CG2-ND1 3.49Å; V283-L358 HydrophobicContact CG2-CD1 4.18Å; V283-L358 HydrophobicContact CG2-CD2 4.2Å |
| 284 | L | 77.8 | Confident | 73.2 | Confident | 96 Ų | 96 | 90 Ų | 90 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 177.2 | -76.1 | 169.4 | 0 | 0 | 0 | 112.2 | K280 Q281 M287 S288 L345 | K280-L284 WeakPolarHBondContact O-CB 3.29Å; K280-L284 WeakPolarHBondContact O-CD1 3.19Å; K280-L284 VanDerWaalsContact O-CG 3.25Å; K280-L284 WeakPolarHBondContact O-CG 3.33Å; K280-L284 PolarHBondContact O-N 3.5Å; K280-L284 VanDerWaalsContact O-N 3.09Å; Q281-L284 PolarHBondContact O-N 2.86Å; L284-M287 PolarHBondContact O-N 3.07Å; L284-S288 PolarHBondContact O-N 2.77Å; L284-S288 PolarHBondContact O-OG 3.19Å; L284-L345 HydrophobicContact CD2-CD2 3.56Å; L284-L345 HydrophobicContact CG-CD2 4.25Å |
| 285 | K | 80.1 | Confident | 74.4 | Confident | 155 Ų | 155 | 87 Ų | 87 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.6 | -38.5 | 176 | -170.3 | 177.4 | -177.7 | -179.9 | 0 | 111.8 | Q281 D282 V283 S288 S289 | Q281-K285 WeakPolarHBondContact O-CB 3.36Å; Q281-K285 PolarHBondContact O-N 3.35Å; D282-K285 PolarHBondContact O-N 3.2Å; V283-K285 VanDerWaalsContact C-N 3.34Å; V283-K285 PolarHBondContact O-N 3.28Å; K285-S288 PolarHBondContact O-OG 3.35Å; K285-S289 PolarHBondContact O-N 2.87Å |
| 286 | K | 80.3 | Confident | 75.3 | Confident | 90 Ų | 90 | 90.4 Ų | 90.4 | 39% | 0.391 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 175.5 | -165.1 | 70.3 | 172.6 | -172.9 | 0 | 111.4 | D282 V283 S289 L290 I357 L358 | D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 PolarHBondContact O-N 3.43Å; V283-K286 PolarHBondContact O-N 2.78Å; K286-S289 PolarHBondContact O-N 2.9Å; K286-S289 VanDerWaalsContact O-N 3.15Å; K286-S289 PolarHBondContact O-OG 3.28Å; K286-L290 PolarHBondContact O-N 3.33Å; K286-I357 WeakPolarHBondContact CE-O 3.46Å; K286-L358 HydrophobicContact CB-CD2 4.08Å; K286-L358 HydrophobicContact CG-CD2 4.12Å |
| 287 | M | 80.6 | Confident | 76 | Confident | 9 Ų | 9 | 93.4 Ų | 93.4 | 4% | 0.044 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.5 | -73.2 | 176 | 64.7 | 0 | 0 | 111.3 | V283 L284 S289 L290 R327 D341 L344 L345 I357 | V283-M287 HydrophobicContact CG1-CG 4.24Å; V283-M287 HydrophobicContact CG1-SD 3.76Å; V283-M287 WeakPolarHBondContact O-CB 3.46Å; V283-M287 WeakPolarHBondContact O-CG 3.21Å; V283-M287 PolarHBondContact O-N 3.44Å; L284-M287 PolarHBondContact O-N 3.07Å; M287-S289 PolarHBondContact O-N 2.79Å; M287-L290 PolarHBondContact O-N 3.37Å; M287-R327 PolarHBondContact O-NH1 3.07Å; M287-D341 HydrophobicContact CE-CB 4.04Å; M287-D341 VanDerWaalsContact CE-O 3.31Å; M287-D341 WeakPolarHBondContact CE-O 3.14Å; M287-L344 HydrophobicContact CE-CB 3.64Å; M287-L344 HydrophobicContact CE-CD1 4.48Å; M287-L344 HydrophobicContact CG-CB 4.24Å; M287-L344 HydrophobicContact SD-CB 3.81Å; M287-L345 HydrophobicContact CE-CD2 4.18Å; M287-L345 HydrophobicContact CE-CG 4Å; M287-L345 HydrophobicContact SD-CD2 3.72Å; M287-L345 HydrophobicContact SD-CG 4.04Å; M287-I357 HydrophobicContact CG-CD1 3.8Å |
| 288 | S | 78.9 | Confident | 76.4 | Confident | 93 Ų | 93 | 92.8 Ų | 92.8 | 65% | 0.65 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.9 | -25.9 | 177 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | L284 K285 | L284-S288 PolarHBondContact O-N 2.77Å; L284-S288 PolarHBondContact O-OG 3.19Å; K285-S288 PolarHBondContact O-OG 3.35Å |
| 289 | S | 82.3 | Confident | 76.5 | Confident | 80 Ų | 80 | 97.2 Ų | 97.2 | 56% | 0.559 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8 | 176.9 | 76.7 | 0 | 0 | 0 | 0 | 115.5 | K285 K286 M287 | K285-S289 PolarHBondContact O-N 2.87Å; K286-S289 PolarHBondContact O-N 2.9Å; K286-S289 VanDerWaalsContact O-N 3.15Å; K286-S289 PolarHBondContact O-OG 3.28Å; M287-S289 PolarHBondContact O-N 2.79Å |
| 290 | L | 84.2 | Confident | 76.4 | Confident | 18 Ų | 18 | 104.3 Ų | 104.3 | 9% | 0.094 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -71.9 | 144 | -179.5 | -67.5 | 173.8 | 0 | 0 | 0 | 111.6 | K286 M287 T292 R327 P330 L344 I357 | K286-L290 PolarHBondContact O-N 3.33Å; M287-L290 PolarHBondContact O-N 3.37Å; L290-T292 PolarHBondContact O-N 3.08Å; L290-R327 HydrophobicContact CB-CG 4.3Å; L290-P330 HydrophobicContact CD2-CG 3.86Å; L290-L344 HydrophobicContact CD1-CD1 3.95Å; L290-I357 HydrophobicContact CD1-CD1 4.26Å |
| 291 | K | 84.9 | Confident | 76 | Confident | 157 Ų | 157 | 111 Ų | 111 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | trans | -64.2 | 130.4 | -178.2 | -171.4 | 173.4 | -176.6 | 177.6 | 0 | 110.8 | V328 | K291-V328 HydrophobicContact CB-CB 4.47Å; K291-V328 PolarHBondContact O-N 2.61Å | ||
| 292 | T | 86.4 | Confident | 75.4 | Confident | 82 Ų | 82 | 110.6 Ų | 110.6 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.7 | 170.1 | 54 | 0 | 0 | 0 | 0 | 110.3 | L290 L326 | L290-T292 PolarHBondContact O-N 3.08Å; T292-L326 CarbonylContact C-O 3.59Å; T292-L326 VanDerWaalsContact CA-O 3.26Å; T292-L326 WeakPolarHBondContact CA-O 3.39Å |
| 293 | K | 84.1 | Confident | 74.6 | Confident | 95 Ų | 95 | 111 Ų | 111 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.8 | -178.3 | 175.7 | -177.3 | 165.8 | -159.6 | 0 | 108 | L326 V328 E334 | K293-L326 PolarHBondContact N-O 2.76Å; K293-L326 WeakPolarHBondContact O-CA 3.34Å; K293-L326 PolarHBondContact O-N 3.18Å; K293-V328 HydrophobicContact CB-CG2 4.34Å; K293-E334 IonicContact NZ-OE1 3.74Å; K293-E334 PolarHBondContact NZ-OE1 3.34Å; K293-E334 IonicContact NZ-OE2 2.61Å |
| 294 | T | 85.5 | Confident | 73.6 | Confident | 82 Ų | 82 | 115.7 Ų | 115.7 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 126.3 | 171.2 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | R296 Q324 | T294-R296 PolarHBondContact O-N 3.36Å; T294-Q324 WeakPolarHBondContact CA-O 3.48Å |
| 295 | Y | 82.3 | Confident | 72.5 | Confident | 23 Ų | 23 | 115.4 Ų | 115.4 | 9% | 0.09 | 57% | 0.566 | C | S | . | * | trans | -73.1 | 128.1 | 178.1 | -174.6 | -103.6 | 0 | 0 | 0 | 110.2 | R297 F320 N321 N323 Q324 L326 | Y295-R297 HydrophobicContact CE1-CB 4.12Å; Y295-F320 HydrophobicContact CD1-CB 3.69Å; Y295-F320 HydrophobicContact CD2-CB 3.92Å; Y295-F320 HydrophobicContact CD2-CD2 4.44Å; Y295-F320 HydrophobicContact CD2-CG 4.49Å; Y295-F320 HydrophobicContact CE1-CB 3.81Å; Y295-F320 WeakPolarHBondContact CE1-O 3.47Å; Y295-F320 HydrophobicContact CE2-CB 4.08Å; Y295-F320 HydrophobicContact CE2-CD2 4.44Å; Y295-F320 HydrophobicContact CG-CB 3.73Å; Y295-N321 WeakPolarHBondContact CD1-O 3.21Å; Y295-N323 PolarHBondContact O-N 3.35Å; Y295-Q324 PolarHBondContact N-O 3.36Å; Y295-L326 HydrophobicContact CD2-CD1 4.06Å; Y295-L326 HydrophobicContact CG-CD1 4.32Å | ||
| 296 | R | 79 | Confident | 71.1 | Confident | 195 Ų | 195 | 115.6 Ų | 115.6 | 74% | 0.736 | 57% | 0.57 | S | S | * | * | trans | -125.8 | 115.9 | 169.4 | -70.9 | -169.7 | 179.8 | -165.5 | 0.9 | 107.7 | T294 | T294-R296 PolarHBondContact O-N 3.36Š| ||
| 297 | R | 73.1 | Confident | 69.5 | Low | 159 Ų | 159 | 118.9 Ų | 118.9 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.6 | 177.8 | -171.1 | 178.1 | -174.3 | 174.2 | 6 | 109.4 | Y295 N322 | Y295-R297 HydrophobicContact CE1-CB 4.12Å; R297-N322 WeakPolarHBondContact CA-OD1 3.42Å; R297-N322 WeakPolarHBondContact CB-OD1 3.32Å; R297-N322 PolarHBondContact N-OD1 3.11Å |
| 298 | P | 67.3 | Low | 68 | Low | 87 Ų | 87 | 122.1 Ų | 122.1 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143.8 | 175.2 | 22.2 | -29.3 | 0 | 0 | 0 | 110.8 | R300 | P298-R300 PolarHBondContact O-N 3.48Š|
| 299 | K | 59.1 | Low | 66.8 | Low | 209 Ų | 209 | 126.5 Ų | 126.5 | 91% | 0.909 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.5 | 178.5 | -136.9 | 173.6 | -173.8 | -179 | 0 | 108.3 | W301 | K299-W301 VanDerWaalsContact C-N 3.32Å; K299-W301 PolarHBondContact O-N 3.48Å |
| 300 | R | 59.3 | Low | 65.8 | Low | 209 Ų | 209 | 127.8 Ų | 127.8 | 79% | 0.789 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -68 | 71.1 | -162.3 | -158 | -175.6 | -160.8 | -151.6 | 5.6 | 114.3 | P298 | P298-R300 PolarHBondContact O-N 3.48Š|
| 301 | W | 56.9 | Low | 65.1 | Low | 251 Ų | 251 | 130.4 Ų | 130.4 | 95% | 0.951 | 63% | 0.633 | S | S | * | * | trans | -122.3 | 57.9 | 167.8 | -99.5 | 57.2 | 0 | 0 | 0 | 109.3 | K299 | K299-W301 VanDerWaalsContact C-N 3.32Å; K299-W301 PolarHBondContact O-N 3.48Å | ||
| 302 | C | 56 | Low | 65.1 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 83% | 0.831 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -153.2 | 145.9 | 166.9 | -89.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 303 | D | 54 | Low | 65.1 | Low | 113 Ų | 113 | 122.7 Ų | 122.7 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | trans | -52.2 | 135.7 | -175 | -166.5 | -42.4 | 0 | 0 | 0 | 112.9 | S305 | D303-S305 PolarHBondContact O-N 3.07Å; D303-S305 WeakPolarHBondContact OD1-CB 3.5Å; D303-S305 PolarHBondContact OD1-N 3.21Å; D303-S305 VanDerWaalsContact OD1-N 3.13Å; D303-S305 PolarHBondContact OD1-OG 3.17Å | ||
| 304 | P | 53.9 | Low | 65.2 | Low | 104 Ų | 104 | 120.1 Ų | 120.1 | 68% | 0.675 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -10.5 | 178.9 | -21.4 | 31.8 | 0 | 0 | 0 | 115.8 | ||
| 305 | S | 53.8 | Low | 65.3 | Low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -3.2 | -173.7 | 55.9 | 0 | 0 | 0 | 0 | 115.8 | D303 | D303-S305 PolarHBondContact O-N 3.07Å; D303-S305 WeakPolarHBondContact OD1-CB 3.5Å; D303-S305 PolarHBondContact OD1-N 3.21Å; D303-S305 VanDerWaalsContact OD1-N 3.13Å; D303-S305 PolarHBondContact OD1-OG 3.17Å |
| 306 | Q | 50.4 | Low | 65.6 | Low | 159 Ų | 159 | 120.1 Ų | 120.1 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | trans | -118.7 | 47.2 | 177.7 | -66.1 | -171.1 | 9.3 | 0 | 0 | 113.6 | T308 | Q306-T308 PolarHBondContact O-N 2.87Š| ||
| 307 | Q | 47.7 | Very low | 66 | Low | 158 Ų | 158 | 117.3 Ų | 117.3 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | trans | -71.5 | 81 | 164.2 | -72.1 | 176.9 | 33.8 | 0 | 0 | 108.8 | ||||
| 308 | T | 48 | Very low | 66.6 | Low | 78 Ų | 78 | 115 Ų | 115 | 48% | 0.479 | 59% | 0.591 | S | S | . | * | trans | -61.5 | 134.3 | 173 | 42.4 | 0 | 0 | 0 | 0 | 109.8 | Q306 T310 E311 | Q306-T308 PolarHBondContact O-N 2.87Å; T308-T310 VanDerWaalsContact CB-OG1 3.29Å; T308-T310 WeakPolarHBondContact CB-OG1 3.42Å; T308-T310 PolarHBondContact O-N 3.06Å; T308-T310 PolarHBondContact OG1-OG1 2.95Å; T308-T310 VanDerWaalsContact OG1-OG1 3.08Å; T308-E311 PolarHBondContact O-N 3.41Å | ||
| 309 | E | 54.2 | Low | 67.5 | Low | 185 Ų | 185 | 114.3 Ų | 114.3 | 86% | 0.864 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -50.5 | -9.2 | 178.7 | -62.4 | 174.1 | 166 | 0 | 0 | 115 | E311 | E309-E311 VanDerWaalsContact C-N 3.25Å; E309-E311 PolarHBondContact O-N 2.95Å |
| 310 | T | 60.7 | Low | 68.7 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 66% | 0.656 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -69.9 | -5 | 172.9 | 32.4 | 0 | 0 | 0 | 0 | 115.8 | T308 F320 | T308-T310 VanDerWaalsContact CB-OG1 3.29Å; T308-T310 WeakPolarHBondContact CB-OG1 3.42Å; T308-T310 PolarHBondContact O-N 3.06Å; T308-T310 PolarHBondContact OG1-OG1 2.95Å; T308-T310 VanDerWaalsContact OG1-OG1 3.08Å; T310-F320 WeakPolarHBondContact O-CE2 3.2Å |
| 311 | E | 70.8 | Confident | 69.8 | Low | 72 Ų | 72 | 99.2 Ų | 99.2 | 34% | 0.336 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -95.7 | 0.9 | 177.9 | -62.7 | -166.9 | 169.6 | 0 | 0 | 114.5 | T308 E309 F320 | T308-E311 PolarHBondContact O-N 3.41Å; E309-E311 VanDerWaalsContact C-N 3.25Å; E309-E311 PolarHBondContact O-N 2.95Å; E311-F320 WeakPolarHBondContact O-CD2 2.89Å; E311-F320 WeakPolarHBondContact O-CG 3.18Å; E311-F320 PolarHBondContact O-N 3.46Å |
| 312 | N | 84.7 | Confident | 70.8 | Confident | 78 Ų | 78 | 91.7 Ų | 91.7 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -117 | 145.3 | -178.7 | -61.7 | -9.6 | 0 | 0 | 0 | 111.5 | A314 E318 P319 | N312-A314 PolarHBondContact O-N 3.15Å; N312-E318 WeakPolarHBondContact CA-O 3.34Å; N312-P319 VanDerWaalsContact OD1-CA 3.3Å; N312-P319 WeakPolarHBondContact OD1-CA 3.49Å; N312-P319 WeakPolarHBondContact OD1-CB 3.27Å |
| 313 | C | 87.4 | Confident | 72 | Confident | 0 Ų | 0 | 91.8 Ų | 91.8 | 0% | 0 | 50% | 0.502 | C | S | . | . | trans | -76.5 | 118.1 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 110 | V315 C316 L317 E318 F320 H336 | C313-V315 PolarHBondContact O-N 2.98Å; C313-C316 WeakPolarHBondContact CB-SG 3.11Å; C313-C316 VanDerWaalsContact SG-SG 3.65Å; C313-L317 WeakPolarHBondContact O-CA 3.48Å; C313-L317 PolarHBondContact O-N 2.93Å; C313-E318 PolarHBondContact N-O 3.43Å; C313-F320 HydrophobicContact CB-CD1 4.46Å; C313-F320 HydrophobicContact CB-CE1 3.67Å; C313-F320 HydrophobicContact CB-CZ 4.26Å; C313-H336 VanDerWaalsContact CB-CE1 3.48Å; C313-H336 WeakPolarHBondContact CB-CE1 3.39Å; C313-H336 WeakPolarHBondContact CB-ND1 3.34Å; C313-H336 PolarHBondContact SG-ND1 3.33Å | ||
| 314 | A | 86.2 | Confident | 73.5 | Confident | 41 Ų | 41 | 88.9 Ų | 88.9 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -2.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N312 Y335 L352 | N312-A314 PolarHBondContact O-N 3.15Å; A314-Y335 HydrophobicContact CB-CE1 3.97Å; A314-L352 HydrophobicContact CB-CD1 4.1Å; A314-L352 HydrophobicContact CB-CD2 3.76Å; A314-L352 HydrophobicContact CB-CG 4.02Å |
| 315 | V | 86.6 | Confident | 75 | Confident | 58 Ų | 58 | 86.4 Ų | 86.4 | 35% | 0.352 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -48.8 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | C313 Y335 C339 I340 P351 | C313-V315 PolarHBondContact O-N 2.98Å; V315-Y335 HydrophobicContact CG2-CD1 3.7Å; V315-Y335 HydrophobicContact CG2-CE1 4.01Å; V315-C339 HydrophobicContact CB-CB 3.97Å; V315-C339 HydrophobicContact CG1-CB 3.87Å; V315-I340 HydrophobicContact CG2-CD1 4.32Å; V315-P351 HydrophobicContact CG2-CG 4.04Å |
| 316 | C | 88.4 | Confident | 76.7 | Confident | 46 Ų | 46 | 82.1 Ų | 82.1 | 31% | 0.311 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -6.8 | 178.1 | 62.1 | 0 | 0 | 0 | 0 | 113.8 | C313 E318 H336 | C313-C316 WeakPolarHBondContact CB-SG 3.11Å; C313-C316 VanDerWaalsContact SG-SG 3.65Å; C316-E318 HydrophobicContact CB-CG 4.45Å; C316-E318 PolarHBondContact O-N 3.1Å; C316-E318 VanDerWaalsContact O-N 3.16Å; C316-H336 PolarHBondContact SG-ND1 2.92Å |
| 317 | L | 87.4 | Confident | 78.5 | Confident | 136 Ų | 136 | 75.3 Ų | 75.3 | 71% | 0.712 | 41% | 0.407 | S | S | * | . | trans | 61.9 | 12.6 | -177.2 | -50.6 | 177.1 | 0 | 0 | 0 | 114.6 | C313 | C313-L317 WeakPolarHBondContact O-CA 3.48Å; C313-L317 PolarHBondContact O-N 2.93Å | ||
| 318 | E | 86.4 | Confident | 80.5 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 147.1 | 178.9 | -64.5 | -176 | 170.1 | 0 | 0 | 112.5 | N312 C313 C316 | N312-E318 WeakPolarHBondContact CA-O 3.34Å; C313-E318 PolarHBondContact N-O 3.43Å; C316-E318 HydrophobicContact CB-CG 4.45Å; C316-E318 PolarHBondContact O-N 3.1Å; C316-E318 VanDerWaalsContact O-N 3.16Å |
| 319 | P | 85.4 | Confident | 82.4 | Confident | 73 Ų | 73 | 65 Ų | 65 | 47% | 0.474 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 149.3 | 174.5 | 29.1 | -35.1 | 0 | 0 | 0 | 112.3 | N312 N321 | N312-P319 VanDerWaalsContact OD1-CA 3.3Å; N312-P319 WeakPolarHBondContact OD1-CA 3.49Å; N312-P319 WeakPolarHBondContact OD1-CB 3.27Å; P319-N321 PolarHBondContact O-N 3.03Å |
| 320 | F | 84.8 | Confident | 83.9 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 128.3 | 176.1 | -58.2 | -50.3 | 0 | 0 | 0 | 111.7 | Y295 T310 E311 C313 L326 E334 H336 | Y295-F320 HydrophobicContact CD1-CB 3.69Å; Y295-F320 HydrophobicContact CD2-CB 3.92Å; Y295-F320 HydrophobicContact CD2-CD2 4.44Å; Y295-F320 HydrophobicContact CD2-CG 4.49Å; Y295-F320 HydrophobicContact CE1-CB 3.81Å; Y295-F320 WeakPolarHBondContact CE1-O 3.47Å; Y295-F320 HydrophobicContact CE2-CB 4.08Å; Y295-F320 HydrophobicContact CE2-CD2 4.44Å; Y295-F320 HydrophobicContact CG-CB 3.73Å; T310-F320 WeakPolarHBondContact O-CE2 3.2Å; E311-F320 WeakPolarHBondContact O-CD2 2.89Å; E311-F320 WeakPolarHBondContact O-CG 3.18Å; E311-F320 PolarHBondContact O-N 3.46Å; C313-F320 HydrophobicContact CB-CD1 4.46Å; C313-F320 HydrophobicContact CB-CE1 3.67Å; C313-F320 HydrophobicContact CB-CZ 4.26Å; F320-L326 HydrophobicContact CB-CD1 4.42Å; F320-L326 HydrophobicContact CD1-CD1 3.83Å; F320-L326 HydrophobicContact CD1-CD2 3.32Å; F320-L326 HydrophobicContact CD1-CG 4.23Å; F320-L326 HydrophobicContact CD2-CD1 3.85Å; F320-L326 HydrophobicContact CE1-CD1 3.98Å; F320-L326 HydrophobicContact CE1-CD2 3.47Å; F320-L326 VanDerWaalsContact CE1-CD2 3.47Å; F320-L326 HydrophobicContact CE1-CG 4.36Å; F320-L326 HydrophobicContact CE2-CD1 4.02Å; F320-L326 HydrophobicContact CG-CD1 3.78Å; F320-L326 HydrophobicContact CG-CD2 4.06Å; F320-L326 HydrophobicContact CZ-CD1 4.09Å; F320-L326 HydrophobicContact CZ-CD2 4.33Å; F320-E334 HydrophobicContact CZ-CB 4.4Å; F320-H336 AromaticContact CD1-CD2 3.99Å; F320-H336 AromaticContact CD1-CE1 3.99Å; F320-H336 AromaticContact CD1-NE2 3.56Å |
| 321 | N | 81.9 | Confident | 85.2 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -101.2 | 155.7 | 176.2 | -66.1 | -46 | 0 | 0 | 0 | 112.1 | Y295 P319 N323 Q324 | Y295-N321 WeakPolarHBondContact CD1-O 3.21Å; P319-N321 PolarHBondContact O-N 3.03Å; N321-N323 PolarHBondContact O-N 3.5Å; N321-Q324 HydrophobicContact CB-CG 4.05Å; N321-Q324 PolarHBondContact ND2-NE2 3.05Å; N321-Q324 WeakPolarHBondContact O-CB 3.46Å; N321-Q324 WeakPolarHBondContact O-CG 3.42Å; N321-Q324 PolarHBondContact O-N 2.96Å |
| 322 | N | 79 | Confident | 85.9 | Confident | 93 Ų | 93 | 59 Ų | 59 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 136.7 | 176.3 | -74.1 | -26.1 | 0 | 0 | 0 | 111.5 | R297 Q324 | R297-N322 WeakPolarHBondContact CA-OD1 3.42Å; R297-N322 WeakPolarHBondContact CB-OD1 3.32Å; R297-N322 PolarHBondContact N-OD1 3.11Å; N322-Q324 PolarHBondContact O-N 3.03Å |
| 323 | N | 79.4 | Confident | 86 | Confident | 125 Ų | 125 | 58 Ų | 58 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 11.1 | 178.9 | -48.2 | -41.3 | 0 | 0 | 0 | 115.2 | Y295 N321 | Y295-N323 PolarHBondContact O-N 3.35Å; N321-N323 PolarHBondContact O-N 3.5Å |
| 324 | Q | 86.1 | Confident | 86.1 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | trans | -75.8 | 142.4 | 169.9 | -71.1 | -178.7 | -23.7 | 0 | 0 | 111.4 | T294 Y295 N321 N322 L326 H336 | T294-Q324 WeakPolarHBondContact CA-O 3.48Å; Y295-Q324 PolarHBondContact N-O 3.36Å; N321-Q324 HydrophobicContact CB-CG 4.05Å; N321-Q324 PolarHBondContact ND2-NE2 3.05Å; N321-Q324 WeakPolarHBondContact O-CB 3.46Å; N321-Q324 WeakPolarHBondContact O-CG 3.42Å; N321-Q324 PolarHBondContact O-N 2.96Å; N322-Q324 PolarHBondContact O-N 3.03Å; Q324-L326 PolarHBondContact O-N 3.35Å; Q324-H336 PolarHBondContact OE1-CD2 3.21Å; Q324-H336 PolarHBondContact OE1-NE2 3.47Å | ||
| 325 | C | 86.1 | Confident | 86.4 | Confident | 52 Ų | 52 | 58.7 Ų | 58.7 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 110.7 | 176.4 | -70.6 | 0 | 0 | 0 | 0 | 110 | R337 | C325-R337 HydrophobicContact CB-CB 4.41Å; C325-R337 WeakPolarHBondContact O-CB 3.32Å; C325-R337 PolarHBondContact O-N 3.13Å |
| 326 | L | 89.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 142.3 | 173.6 | -52.1 | -172.8 | 0 | 0 | 0 | 110.2 | T292 K293 Y295 F320 Q324 Y335 | T292-L326 CarbonylContact C-O 3.59Å; T292-L326 VanDerWaalsContact CA-O 3.26Å; T292-L326 WeakPolarHBondContact CA-O 3.39Å; K293-L326 PolarHBondContact N-O 2.76Å; K293-L326 WeakPolarHBondContact O-CA 3.34Å; K293-L326 PolarHBondContact O-N 3.18Å; Y295-L326 HydrophobicContact CD2-CD1 4.06Å; Y295-L326 HydrophobicContact CG-CD1 4.32Å; F320-L326 HydrophobicContact CB-CD1 4.42Å; F320-L326 HydrophobicContact CD1-CD1 3.83Å; F320-L326 HydrophobicContact CD1-CD2 3.32Å; F320-L326 HydrophobicContact CD1-CG 4.23Å; F320-L326 HydrophobicContact CD2-CD1 3.85Å; F320-L326 HydrophobicContact CE1-CD1 3.98Å; F320-L326 HydrophobicContact CE1-CD2 3.47Å; F320-L326 VanDerWaalsContact CE1-CD2 3.47Å; F320-L326 HydrophobicContact CE1-CG 4.36Å; F320-L326 HydrophobicContact CE2-CD1 4.02Å; F320-L326 HydrophobicContact CG-CD1 3.78Å; F320-L326 HydrophobicContact CG-CD2 4.06Å; F320-L326 HydrophobicContact CZ-CD1 4.09Å; F320-L326 HydrophobicContact CZ-CD2 4.33Å; Q324-L326 PolarHBondContact O-N 3.35Å; L326-Y335 CarbonylContact C-O 3.56Å; L326-Y335 WeakPolarHBondContact CA-O 3.17Å |
| 327 | R | 88.7 | Confident | 86.6 | Confident | 17 Ų | 17 | 59.2 Ų | 59.2 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.1 | 170.3 | -175.2 | 177.3 | -64 | -98.1 | 16.4 | 108.8 | M287 L290 Y335 R337 I340 D341 | M287-R327 PolarHBondContact O-NH1 3.07Å; L290-R327 HydrophobicContact CB-CG 4.3Å; R327-Y335 PolarHBondContact N-O 3.18Å; R327-Y335 PolarHBondContact O-N 3.41Å; R327-R337 HydrophobicContact CB-CB 4.44Å; R327-I340 HydrophobicContact CB-CG2 3.84Å; R327-I340 HydrophobicContact CG-CG2 4.27Å; R327-D341 WeakPolarHBondContact CD-OD1 3.42Å; R327-D341 IonicContact CZ-OD1 2.95Å; R327-D341 IonicContact CZ-OD2 2.69Å; R327-D341 IonicContact NE-OD1 2.77Å; R327-D341 PolarHBondContact NE-OD1 3.4Å; R327-D341 IonicContact NE-OD2 3.43Å; R327-D341 VanDerWaalsContact NH2-CG 3.3Å; R327-D341 IonicContact NH2-OD1 3.62Å; R327-D341 PolarHBondContact NH2-OD1 2.79Å; R327-D341 IonicContact NH2-OD2 2.67Å; R327-D341 PolarHBondContact NH2-OD2 3.04Å |
| 328 | V | 88.5 | Confident | 86.6 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.7 | 179.5 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | K291 K293 E334 | K291-V328 HydrophobicContact CB-CB 4.47Å; K291-V328 PolarHBondContact O-N 2.61Å; K293-V328 HydrophobicContact CB-CG2 4.34Å; V328-E334 HydrophobicContact CG2-CG 4.13Å |
| 329 | L | 89.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | trans | -75.4 | 163.8 | 177.2 | -84.2 | 70.6 | 0 | 0 | 0 | 110.7 | C331 L332 H333 Y335 I340 L344 C350 I357 | L329-C331 WeakPolarHBondContact CB-SG 3.39Å; L329-C331 PolarHBondContact O-N 3.06Å; L329-L332 WeakPolarHBondContact O-CA 3.29Å; L329-L332 PolarHBondContact O-N 3.23Å; L329-H333 PolarHBondContact N-O 2.97Å; L329-Y335 HydrophobicContact CD1-CD2 3.66Å; L329-Y335 HydrophobicContact CD1-CE2 3.86Å; L329-Y335 HydrophobicContact CD2-CE2 4.38Å; L329-I340 HydrophobicContact CD1-CG1 3.93Å; L329-L344 HydrophobicContact CD2-CD2 4.27Å; L329-C350 HydrophobicContact CD2-CB 3.66Å; L329-I357 HydrophobicContact CD2-CG2 3.93Å; L329-I357 HydrophobicContact CG-CG2 4.09Å | ||
| 330 | P | 85.7 | Confident | 86.9 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.4 | 175.5 | -22.6 | 34.9 | 0 | 0 | 0 | 113.9 | L290 L332 | L290-P330 HydrophobicContact CD2-CG 3.86Å; P330-L332 VanDerWaalsContact C-N 3.26Å |
| 331 | C | 87.1 | Confident | 87 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 8% | 0.081 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.2 | 173.4 | 57 | 0 | 0 | 0 | 0 | 114.3 | L329 H333 R355 | L329-C331 WeakPolarHBondContact CB-SG 3.39Å; L329-C331 PolarHBondContact O-N 3.06Å; C331-H333 VanDerWaalsContact C-N 3.29Å; C331-H333 PolarHBondContact O-N 2.81Å; C331-H333 PolarHBondContact SG-ND1 3.37Å; C331-H333 VanDerWaalsContact SG-ND1 3.37Å; C331-R355 HydrophobicContact CB-CB 4.37Å |
| 332 | L | 85.8 | Confident | 87.3 | Confident | 140 Ų | 140 | 51.3 Ų | 51.3 | 73% | 0.733 | 28% | 0.275 | S | S | * | . | trans | 71.7 | 4.5 | -179.3 | -54.9 | 172.4 | 0 | 0 | 0 | 116.5 | L329 P330 | L329-L332 WeakPolarHBondContact O-CA 3.29Å; L329-L332 PolarHBondContact O-N 3.23Å; P330-L332 VanDerWaalsContact C-N 3.26Å | ||
| 333 | H | 88.1 | Confident | 87.7 | Confident | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | trans | -73.5 | 136.5 | 171.1 | -63.3 | 115.2 | 0 | 0 | 0 | 111.6 | L329 C331 Y335 C350 L352 | L329-H333 PolarHBondContact N-O 2.97Å; C331-H333 VanDerWaalsContact C-N 3.29Å; C331-H333 PolarHBondContact O-N 2.81Å; C331-H333 PolarHBondContact SG-ND1 3.37Å; C331-H333 VanDerWaalsContact SG-ND1 3.37Å; H333-Y335 HydrophobicContact CB-CE2 3.62Å; H333-C350 PolarHBondContact ND1-SG 2.81Å; H333-L352 HydrophobicContact CB-CD1 4.18Å; H333-L352 VanDerWaalsContact CD2-CD1 3.48Å; H333-L352 WeakPolarHBondContact CD2-CD1 3.44Å | ||
| 334 | E | 89.4 | Confident | 88 | Confident | 56 Ų | 56 | 46 Ų | 46 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.9 | -178.9 | -51 | -165.6 | 163.8 | 0 | 0 | 110.6 | K293 F320 V328 | K293-E334 IonicContact NZ-OE1 3.74Å; K293-E334 PolarHBondContact NZ-OE1 3.34Å; K293-E334 IonicContact NZ-OE2 2.61Å; F320-E334 HydrophobicContact CZ-CB 4.4Å; V328-E334 HydrophobicContact CG2-CG 4.13Å |
| 335 | Y | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.1 | 176.3 | -56.7 | -88.6 | 0 | 0 | 0 | 110.2 | A314 V315 L326 R327 L329 H333 R337 I340 C350 P351 L352 | A314-Y335 HydrophobicContact CB-CE1 3.97Å; V315-Y335 HydrophobicContact CG2-CD1 3.7Å; V315-Y335 HydrophobicContact CG2-CE1 4.01Å; L326-Y335 CarbonylContact C-O 3.56Å; L326-Y335 WeakPolarHBondContact CA-O 3.17Å; R327-Y335 PolarHBondContact N-O 3.18Å; R327-Y335 PolarHBondContact O-N 3.41Å; L329-Y335 HydrophobicContact CD1-CD2 3.66Å; L329-Y335 HydrophobicContact CD1-CE2 3.86Å; L329-Y335 HydrophobicContact CD2-CE2 4.38Å; H333-Y335 HydrophobicContact CB-CE2 3.62Å; Y335-R337 PolarHBondContact O-N 3.21Å; Y335-I340 HydrophobicContact CD1-CD1 4.4Å; Y335-I340 HydrophobicContact CD2-CB 4.37Å; Y335-I340 HydrophobicContact CD2-CD1 3.98Å; Y335-I340 HydrophobicContact CD2-CG1 3.84Å; Y335-I340 HydrophobicContact CE2-CD1 4.2Å; Y335-I340 HydrophobicContact CE2-CG1 4.46Å; Y335-I340 HydrophobicContact CG-CB 4.09Å; Y335-I340 HydrophobicContact CG-CD1 4.07Å; Y335-I340 HydrophobicContact CG-CG1 4Å; Y335-C350 PolarHBondContact OH-SG 3.46Å; Y335-P351 HydrophobicContact CE1-CB 4.41Å; Y335-P351 HydrophobicContact CE1-CG 4.12Å; Y335-L352 HydrophobicContact CE1-CD1 4.37Å; Y335-L352 HydrophobicContact CE1-CG 4.49Å; Y335-L352 WeakPolarHBondContact OH-CD1 3.25Å; Y335-L352 WeakPolarHBondContact OH-CG 3.49Å; Y335-L352 PolarHBondContact OH-N 2.92Å |
| 336 | H | 90.5 | Very high | 87.6 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 7% | 0.069 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 133.2 | 164.6 | -60.4 | 116 | 0 | 0 | 0 | 109.7 | C313 C316 F320 Q324 D338 C339 I340 | C313-H336 VanDerWaalsContact CB-CE1 3.48Å; C313-H336 WeakPolarHBondContact CB-CE1 3.39Å; C313-H336 WeakPolarHBondContact CB-ND1 3.34Å; C313-H336 PolarHBondContact SG-ND1 3.33Å; C316-H336 PolarHBondContact SG-ND1 2.92Å; F320-H336 AromaticContact CD1-CD2 3.99Å; F320-H336 AromaticContact CD1-CE1 3.99Å; F320-H336 AromaticContact CD1-NE2 3.56Å; Q324-H336 PolarHBondContact OE1-CD2 3.21Å; Q324-H336 PolarHBondContact OE1-NE2 3.47Å; H336-D338 PolarHBondContact O-N 3.49Å; H336-C339 HydrophobicContact CB-CB 4.05Å; H336-C339 PolarHBondContact O-N 3.48Å; H336-C339 VanDerWaalsContact O-N 3.08Å; H336-I340 WeakPolarHBondContact O-CG2 3.44Å; H336-I340 PolarHBondContact O-N 3.37Å; H336-I340 VanDerWaalsContact O-N 3.07Å |
| 337 | R | 88.4 | Confident | 87.2 | Confident | 100 Ų | 100 | 56.9 Ų | 56.9 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.2 | -45.9 | 178.1 | -175.5 | -175.7 | 68.4 | -177.2 | 1 | 111.2 | C325 R327 Y335 C339 I340 D341 | C325-R337 HydrophobicContact CB-CB 4.41Å; C325-R337 WeakPolarHBondContact O-CB 3.32Å; C325-R337 PolarHBondContact O-N 3.13Å; R327-R337 HydrophobicContact CB-CB 4.44Å; Y335-R337 PolarHBondContact O-N 3.21Å; R337-C339 VanDerWaalsContact C-N 3.29Å; R337-C339 PolarHBondContact O-N 3.39Å; R337-I340 PolarHBondContact O-N 3.41Å; R337-D341 WeakPolarHBondContact CG-OD2 3.5Å; R337-D341 VanDerWaalsContact O-CB 3.32Å; R337-D341 WeakPolarHBondContact O-CB 3.31Å; R337-D341 PolarHBondContact O-N 3.46Å |
| 338 | D | 88 | Confident | 87.2 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -73.1 | -22.7 | -174 | -50.7 | -31.2 | 0 | 0 | 0 | 112.4 | H336 P342 | H336-D338 PolarHBondContact O-N 3.49Å; D338-P342 WeakPolarHBondContact O-CD 3.49Å |
| 339 | C | 88.3 | Confident | 87.2 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -83.9 | -37.8 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | V315 H336 R337 | V315-C339 HydrophobicContact CB-CB 3.97Å; V315-C339 HydrophobicContact CG1-CB 3.87Å; H336-C339 HydrophobicContact CB-CB 4.05Å; H336-C339 PolarHBondContact O-N 3.48Å; H336-C339 VanDerWaalsContact O-N 3.08Å; R337-C339 VanDerWaalsContact C-N 3.29Å; R337-C339 PolarHBondContact O-N 3.39Å |
| 340 | I | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -88.5 | -23.6 | -173.9 | -166 | 56.4 | 0 | 0 | 0 | 113.2 | V315 R327 L329 Y335 H336 R337 W343 L344 P351 | V315-I340 HydrophobicContact CG2-CD1 4.32Å; R327-I340 HydrophobicContact CB-CG2 3.84Å; R327-I340 HydrophobicContact CG-CG2 4.27Å; L329-I340 HydrophobicContact CD1-CG1 3.93Å; Y335-I340 HydrophobicContact CD1-CD1 4.4Å; Y335-I340 HydrophobicContact CD2-CB 4.37Å; Y335-I340 HydrophobicContact CD2-CD1 3.98Å; Y335-I340 HydrophobicContact CD2-CG1 3.84Å; Y335-I340 HydrophobicContact CE2-CD1 4.2Å; Y335-I340 HydrophobicContact CE2-CG1 4.46Å; Y335-I340 HydrophobicContact CG-CB 4.09Å; Y335-I340 HydrophobicContact CG-CD1 4.07Å; Y335-I340 HydrophobicContact CG-CG1 4Å; H336-I340 WeakPolarHBondContact O-CG2 3.44Å; H336-I340 PolarHBondContact O-N 3.37Å; H336-I340 VanDerWaalsContact O-N 3.07Å; R337-I340 PolarHBondContact O-N 3.41Å; I340-W343 HydrophobicContact CD1-CB 4.2Å; I340-W343 HydrophobicContact CD1-CG 4.26Å; I340-W343 WeakPolarHBondContact O-CB 3.38Å; I340-W343 PolarHBondContact O-N 3.41Å; I340-L344 HydrophobicContact CD1-CG 4.36Å; I340-L344 HydrophobicContact CG1-CD1 3.96Å; I340-L344 HydrophobicContact CG1-CG 4.02Å; I340-L344 WeakPolarHBondContact O-CB 3Å; I340-L344 VanDerWaalsContact O-CG 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.37Å; I340-P351 HydrophobicContact CD1-CG 3.65Å |
| 341 | D | 87.8 | Confident | 87.3 | Confident | 33 Ų | 33 | 57 Ų | 57 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | -179.7 | -74.2 | 1.5 | 0 | 0 | 0 | 112.7 | M287 R327 R337 W343 L344 L345 | M287-D341 HydrophobicContact CE-CB 4.04Å; M287-D341 VanDerWaalsContact CE-O 3.31Å; M287-D341 WeakPolarHBondContact CE-O 3.14Å; R327-D341 WeakPolarHBondContact CD-OD1 3.42Å; R327-D341 IonicContact CZ-OD1 2.95Å; R327-D341 IonicContact CZ-OD2 2.69Å; R327-D341 IonicContact NE-OD1 2.77Å; R327-D341 PolarHBondContact NE-OD1 3.4Å; R327-D341 IonicContact NE-OD2 3.43Å; R327-D341 VanDerWaalsContact NH2-CG 3.3Å; R327-D341 IonicContact NH2-OD1 3.62Å; R327-D341 PolarHBondContact NH2-OD1 2.79Å; R327-D341 IonicContact NH2-OD2 2.67Å; R327-D341 PolarHBondContact NH2-OD2 3.04Å; R337-D341 WeakPolarHBondContact CG-OD2 3.5Å; R337-D341 VanDerWaalsContact O-CB 3.32Å; R337-D341 WeakPolarHBondContact O-CB 3.31Å; R337-D341 PolarHBondContact O-N 3.46Å; D341-W343 VanDerWaalsContact C-N 3.28Å; D341-W343 PolarHBondContact O-N 2.66Å; D341-L344 PolarHBondContact O-N 3.09Å; D341-L345 WeakPolarHBondContact O-CG 3.46Å; D341-L345 PolarHBondContact O-N 3.2Å; D341-L345 VanDerWaalsContact O-N 3.11Å |
| 342 | P | 88.1 | Confident | 87.2 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 174.1 | -23.4 | 33.9 | 0 | 0 | 0 | 112.3 | D338 L345 L346 | D338-P342 WeakPolarHBondContact O-CD 3.49Å; P342-L345 PolarHBondContact O-N 3.42Å; P342-L346 WeakPolarHBondContact O-CD1 3.37Å; P342-L346 PolarHBondContact O-N 3.46Å |
| 343 | W | 87.8 | Confident | 87.2 | Confident | 107 Ų | 107 | 56.5 Ų | 56.5 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.7 | 179.9 | -86.4 | 0 | 0 | 0 | 112.3 | I340 D341 L345 L346 Q347 T349 P351 | I340-W343 HydrophobicContact CD1-CB 4.2Å; I340-W343 HydrophobicContact CD1-CG 4.26Å; I340-W343 WeakPolarHBondContact O-CB 3.38Å; I340-W343 PolarHBondContact O-N 3.41Å; D341-W343 VanDerWaalsContact C-N 3.28Å; D341-W343 PolarHBondContact O-N 2.66Å; W343-L345 VanDerWaalsContact C-N 3.3Å; W343-L345 PolarHBondContact O-N 3.15Å; W343-L346 PolarHBondContact O-N 3.48Å; W343-Q347 HydrophobicContact CZ2-CB 4.46Å; W343-Q347 HydrophobicContact CZ2-CG 4.46Å; W343-Q347 PolarHBondContact O-N 2.95Å; W343-T349 VanDerWaalsContact CD1-O 3.22Å; W343-T349 PolarHBondContact NE1-O 2.64Å; W343-P351 HydrophobicContact CD2-CG 4.18Å; W343-P351 HydrophobicContact CG-CG 4.14Å; W343-P351 HydrophobicContact CZ2-CG 4.48Å |
| 344 | L | 85.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70 | -23.7 | 179.9 | -72.1 | 176.2 | 0 | 0 | 0 | 113.4 | M287 L290 L329 I340 D341 H348 I357 | M287-L344 HydrophobicContact CE-CB 3.64Å; M287-L344 HydrophobicContact CE-CD1 4.48Å; M287-L344 HydrophobicContact CG-CB 4.24Å; M287-L344 HydrophobicContact SD-CB 3.81Å; L290-L344 HydrophobicContact CD1-CD1 3.95Å; L329-L344 HydrophobicContact CD2-CD2 4.27Å; I340-L344 HydrophobicContact CD1-CG 4.36Å; I340-L344 HydrophobicContact CG1-CD1 3.96Å; I340-L344 HydrophobicContact CG1-CG 4.02Å; I340-L344 WeakPolarHBondContact O-CB 3Å; I340-L344 VanDerWaalsContact O-CG 3.32Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.37Å; D341-L344 PolarHBondContact O-N 3.09Å; L344-H348 WeakPolarHBondContact O-CA 3.38Å; L344-H348 PolarHBondContact O-CD2 2.85Å; L344-H348 PolarHBondContact O-N 2.88Å; L344-I357 HydrophobicContact CB-CD1 4.43Å; L344-I357 HydrophobicContact CD1-CD1 4.34Å; L344-I357 HydrophobicContact CD2-CD1 4.02Å; L344-I357 HydrophobicContact CD2-CG1 4.27Å; L344-I357 HydrophobicContact CD2-CG2 3.71Å; L344-I357 HydrophobicContact CG-CD1 4.49Å |
| 345 | L | 82.9 | Confident | 86.9 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 45% | 0.445 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70 | -33.6 | 171.4 | -71.3 | 170.1 | 0 | 0 | 0 | 112.3 | L284 M287 D341 P342 W343 H348 | L284-L345 HydrophobicContact CD2-CD2 3.56Å; L284-L345 HydrophobicContact CG-CD2 4.25Å; M287-L345 HydrophobicContact CE-CD2 4.18Å; M287-L345 HydrophobicContact CE-CG 4Å; M287-L345 HydrophobicContact SD-CD2 3.72Å; M287-L345 HydrophobicContact SD-CG 4.04Å; D341-L345 WeakPolarHBondContact O-CG 3.46Å; D341-L345 PolarHBondContact O-N 3.2Å; D341-L345 VanDerWaalsContact O-N 3.11Å; P342-L345 PolarHBondContact O-N 3.42Å; W343-L345 VanDerWaalsContact C-N 3.3Å; W343-L345 PolarHBondContact O-N 3.15Å; L345-H348 PolarHBondContact O-NE2 2.89Å |
| 346 | L | 81 | Confident | 86.6 | Confident | 131 Ų | 131 | 68.1 Ų | 68.1 | 69% | 0.686 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -87.9 | -50.7 | -177.7 | -84.6 | 78.9 | 0 | 0 | 0 | 112.8 | P342 W343 | P342-L346 WeakPolarHBondContact O-CD1 3.37Å; P342-L346 PolarHBondContact O-N 3.46Å; W343-L346 PolarHBondContact O-N 3.48Å |
| 347 | Q | 80.5 | Confident | 86.1 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -115.6 | -10.5 | -164.9 | -66.9 | -65 | -47.3 | 0 | 0 | 114.3 | W343 T349 | W343-Q347 HydrophobicContact CZ2-CB 4.46Å; W343-Q347 HydrophobicContact CZ2-CG 4.46Å; W343-Q347 PolarHBondContact O-N 2.95Å; Q347-T349 WeakPolarHBondContact O-CB 3.37Å; Q347-T349 VanDerWaalsContact O-CG2 3.29Å; Q347-T349 WeakPolarHBondContact O-CG2 3.37Å; Q347-T349 PolarHBondContact O-N 2.77Å; Q347-T349 PolarHBondContact O-OG1 3.42Å |
| 348 | H | 87.7 | Confident | 85.7 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | trans | 53.7 | 17.3 | 174.3 | -47.1 | 179.6 | 0 | 0 | 0 | 114.3 | V283 L344 L345 S356 I357 L358 | V283-H348 WeakPolarHBondContact CG2-CE1 3.02Å; V283-H348 WeakPolarHBondContact CG2-ND1 3.49Å; L344-H348 WeakPolarHBondContact O-CA 3.38Å; L344-H348 PolarHBondContact O-CD2 2.85Å; L344-H348 PolarHBondContact O-N 2.88Å; L345-H348 PolarHBondContact O-NE2 2.89Å; H348-S356 WeakPolarHBondContact O-CA 3.26Å; H348-I357 HydrophobicContact CB-CG1 4.48Å; H348-I357 WeakPolarHBondContact O-CG1 3.39Å; H348-I357 PolarHBondContact O-N 3.33Å; H348-L358 HydrophobicContact CB-CD1 4.5Å | ||
| 349 | T | 88.6 | Confident | 84.7 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -131.4 | 153.9 | -169.8 | 48.5 | 0 | 0 | 0 | 0 | 111 | W343 Q347 R355 | W343-T349 VanDerWaalsContact CD1-O 3.22Å; W343-T349 PolarHBondContact NE1-O 2.64Å; Q347-T349 WeakPolarHBondContact O-CB 3.37Å; Q347-T349 VanDerWaalsContact O-CG2 3.29Å; Q347-T349 WeakPolarHBondContact O-CG2 3.37Å; Q347-T349 PolarHBondContact O-N 2.77Å; Q347-T349 PolarHBondContact O-OG1 3.42Å; T349-R355 WeakPolarHBondContact CA-O 3.2Å |
| 350 | C | 89.1 | Confident | 82.8 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 36% | 0.357 | C | S | . | . | trans | -70.2 | 128.4 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L329 H333 Y335 L352 K354 R355 | L329-C350 HydrophobicContact CD2-CB 3.66Å; H333-C350 PolarHBondContact ND1-SG 2.81Å; Y335-C350 PolarHBondContact OH-SG 3.46Å; C350-L352 PolarHBondContact O-N 3.5Å; C350-L352 PolarHBondContact SG-N 2.8Å; C350-L352 VanDerWaalsContact SG-N 3.43Å; C350-K354 WeakPolarHBondContact O-CA 3.45Å; C350-K354 PolarHBondContact O-N 2.89Å; C350-R355 PolarHBondContact N-O 2.94Å | ||
| 351 | P | 88.6 | Confident | 80.7 | Confident | 41 Ų | 41 | 72.1 Ų | 72.1 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.2 | 175.3 | -25.1 | 30.8 | 0 | 0 | 0 | 114.2 | V315 Y335 I340 W343 | V315-P351 HydrophobicContact CG2-CG 4.04Å; Y335-P351 HydrophobicContact CE1-CB 4.41Å; Y335-P351 HydrophobicContact CE1-CG 4.12Å; I340-P351 HydrophobicContact CD1-CG 3.65Å; W343-P351 HydrophobicContact CD2-CG 4.18Å; W343-P351 HydrophobicContact CG-CG 4.14Å; W343-P351 HydrophobicContact CZ2-CG 4.48Å |
| 352 | L | 86.1 | Confident | 78.5 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 52% | 0.518 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -47.9 | -176.6 | -72 | 171.1 | 0 | 0 | 0 | 112.7 | A314 H333 Y335 C350 | A314-L352 HydrophobicContact CB-CD1 4.1Å; A314-L352 HydrophobicContact CB-CD2 3.76Å; A314-L352 HydrophobicContact CB-CG 4.02Å; H333-L352 HydrophobicContact CB-CD1 4.18Å; H333-L352 VanDerWaalsContact CD2-CD1 3.48Å; H333-L352 WeakPolarHBondContact CD2-CD1 3.44Å; Y335-L352 HydrophobicContact CE1-CD1 4.37Å; Y335-L352 HydrophobicContact CE1-CG 4.49Å; Y335-L352 WeakPolarHBondContact OH-CD1 3.25Å; Y335-L352 WeakPolarHBondContact OH-CG 3.49Å; Y335-L352 PolarHBondContact OH-N 2.92Å; C350-L352 PolarHBondContact O-N 3.5Å; C350-L352 PolarHBondContact SG-N 2.8Å; C350-L352 VanDerWaalsContact SG-N 3.43Å |
| 353 | C | 85.5 | Confident | 76.5 | Confident | 41 Ų | 41 | 88.3 Ų | 88.3 | 28% | 0.277 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 6.4 | -171.4 | 72.8 | 0 | 0 | 0 | 0 | 114.9 | R355 | C353-R355 PolarHBondContact O-N 3.43Å; C353-R355 PolarHBondContact SG-NE 3.18Å |
| 354 | K | 86.9 | Confident | 74.2 | Confident | 176 Ų | 176 | 89.6 Ų | 89.6 | 77% | 0.765 | 46% | 0.459 | S | S | * | . | trans | 55.7 | 12.3 | 178.4 | -55.8 | -176.8 | -179.4 | -178 | 0 | 115.7 | C350 | C350-K354 WeakPolarHBondContact O-CA 3.45Å; C350-K354 PolarHBondContact O-N 2.89Å | ||
| 355 | R | 84.3 | Confident | 71.9 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 50% | 0.502 | 52% | 0.522 | S | S | . | . | trans | -72.1 | 130.9 | 176.9 | -78 | -176.6 | -87.3 | 168.2 | -2.8 | 110 | C331 T349 C350 C353 | C331-R355 HydrophobicContact CB-CB 4.37Å; T349-R355 WeakPolarHBondContact CA-O 3.2Å; C350-R355 PolarHBondContact N-O 2.94Å; C353-R355 PolarHBondContact O-N 3.43Å; C353-R355 PolarHBondContact SG-NE 3.18Å | ||
| 356 | S | 83.1 | Confident | 71.3 | Confident | 48 Ų | 48 | 99.5 Ų | 99.5 | 34% | 0.336 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -70.5 | 140.2 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | H348 L358 | H348-S356 WeakPolarHBondContact O-CA 3.26Å; S356-L358 VanDerWaalsContact C-N 3.27Å; S356-L358 PolarHBondContact OG-N 3.24Å; S356-L358 VanDerWaalsContact OG-N 3.17Å |
| 357 | I | 81.9 | Confident | 70.8 | Confident | 3 Ų | 3 | 97.8 Ų | 97.8 | 2% | 0.015 | 52% | 0.518 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.4 | 174.6 | 63 | 158.6 | 0 | 0 | 0 | 113.1 | K286 M287 L290 L329 L344 H348 G359 | K286-I357 WeakPolarHBondContact CE-O 3.46Å; M287-I357 HydrophobicContact CG-CD1 3.8Å; L290-I357 HydrophobicContact CD1-CD1 4.26Å; L329-I357 HydrophobicContact CD2-CG2 3.93Å; L329-I357 HydrophobicContact CG-CG2 4.09Å; L344-I357 HydrophobicContact CB-CD1 4.43Å; L344-I357 HydrophobicContact CD1-CD1 4.34Å; L344-I357 HydrophobicContact CD2-CD1 4.02Å; L344-I357 HydrophobicContact CD2-CG1 4.27Å; L344-I357 HydrophobicContact CD2-CG2 3.71Å; L344-I357 HydrophobicContact CG-CD1 4.49Å; H348-I357 HydrophobicContact CB-CG1 4.48Å; H348-I357 WeakPolarHBondContact O-CG1 3.39Å; H348-I357 PolarHBondContact O-N 3.33Å; I357-G359 VanDerWaalsContact C-N 3.3Å |
| 358 | L | 78.6 | Confident | 70.3 | Confident | 82 Ų | 82 | 96.8 Ų | 96.8 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.1 | -179.1 | -60.7 | 177.9 | 0 | 0 | 0 | 113.2 | V283 K286 H348 S356 | V283-L358 HydrophobicContact CG2-CD1 4.18Å; V283-L358 HydrophobicContact CG2-CD2 4.2Å; K286-L358 HydrophobicContact CB-CD2 4.08Å; K286-L358 HydrophobicContact CG-CD2 4.12Å; H348-L358 HydrophobicContact CB-CD1 4.5Å; S356-L358 VanDerWaalsContact C-N 3.27Å; S356-L358 PolarHBondContact OG-N 3.24Å; S356-L358 VanDerWaalsContact OG-N 3.17Å |
| 359 | G | 67.6 | Low | 69.3 | Low | 54 Ų | 54 | 99.6 Ų | 99.6 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | trans | 110.7 | 126.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I357 V361 | I357-G359 VanDerWaalsContact C-N 3.3Å; G359-V361 PolarHBondContact O-N 2.96Å | ||
| 360 | A | 47.5 | Very low | 68.1 | Low | 81 Ų | 81 | 103.7 Ų | 103.7 | 67% | 0.669 | 55% | 0.554 | S | S | * | * | trans | -77.6 | 118.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | R362 | A360-R362 PolarHBondContact O-N 2.96Š| ||
| 361 | V | 45.6 | Very low | 66.7 | Low | 129 Ų | 129 | 110.5 Ų | 110.5 | 78% | 0.782 | 59% | 0.59 | S | S | * | * | trans | -58.7 | 116.6 | 149.7 | 174.7 | 0 | 0 | 0 | 0 | 105.8 | G359 R363 | G359-V361 PolarHBondContact O-N 2.96Å; V361-R363 PolarHBondContact O-N 3.41Å; V361-R363 VanDerWaalsContact O-N 3.07Å | ||
| 362 | R | 41.2 | Very low | 65.1 | Low | 212 Ų | 212 | 115.5 Ų | 115.5 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | trans | -61 | 111 | 169.1 | -66 | -174 | -171.7 | 165.1 | 1 | 107.4 | A360 | A360-R362 PolarHBondContact O-N 2.96Š| ||
| 363 | R | 46.1 | Very low | 63.5 | Low | 233 Ų | 233 | 116.8 Ų | 116.8 | 88% | 0.879 | 62% | 0.621 | S | S | * | * | trans | -98.9 | 82 | 150.9 | -76.9 | -174.9 | -175.6 | 157.4 | 1.3 | 105.5 | V361 | V361-R363 PolarHBondContact O-N 3.41Å; V361-R363 VanDerWaalsContact O-N 3.07Å | ||
| 364 | D | 41.3 | Very low | 61.7 | Low | 134 Ų | 134 | 123.1 Ų | 123.1 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | trans | -76.9 | 130.4 | 161.7 | -67.6 | -32.9 | 0 | 0 | 0 | 106.5 | ||||
| 365 | S | 35.9 | Very low | 59.4 | Low | 192 Ų | 192 | 118.3 Ų | 118.3 | 100% | 1.343 | 64% | 0.639 | S | S | * | * | trans | -76.8 | 0 | -178.9 | -53.5 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 365 of 365 residues in 85.6 ms
(Link to these results)