| 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 | 44.9 | Very low | 51.3 | Low | 218 Ų | 218 | 123.5 Ų | 123.5 | 100% | 1.074 | 68% | 0.676 | S | S | * | * | 0 | -33.9 | 0 | -91.7 | 172.8 | -172.3 | 0 | 0 | 114.4 | A3 | M1-A3 PolarHBondContact O-N 2.84Š| |||
| 2 | V | 46 | Very low | 51.6 | Low | 114 Ų | 114 | 124.2 Ų | 124.2 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -69 | -29.9 | -176.6 | -176 | 0 | 0 | 0 | 0 | 114.1 | ||
| 3 | A | 46.9 | Very low | 51.9 | Low | 76 Ų | 76 | 125.6 Ų | 125.6 | 63% | 0.628 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.5 | -33.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | M1 R6 F7 | M1-A3 PolarHBondContact O-N 2.84Å; A3-R6 PolarHBondContact O-N 2.9Å; A3-F7 PolarHBondContact O-N 3.29Å |
| 4 | M | 51.6 | Low | 52.2 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.9 | -35.3 | 177.5 | -83.9 | -77.9 | -179.5 | 0 | 0 | 112.1 | R6 F7 A8 | M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 3.36Å; M4-F7 PolarHBondContact O-N 3.07Å; M4-A8 PolarHBondContact O-N 2.93Å |
| 5 | A | 52.2 | Low | 52.6 | Low | 63 Ų | 63 | 122.7 Ų | 122.7 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -67.2 | -32.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A9 | A5-A9 WeakPolarHBondContact O-CB 3.18Å; A5-A9 PolarHBondContact O-N 2.83Å; A5-A9 VanDerWaalsContact O-N 3.11Å |
| 6 | R | 52.7 | Low | 52.8 | Low | 190 Ų | 190 | 124.7 Ų | 124.7 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.1 | -34.4 | 176.2 | -71.8 | -166.2 | 171.5 | -164 | -2.3 | 113 | A3 M4 L10 | A3-R6 PolarHBondContact O-N 2.9Å; M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 3.36Å; R6-L10 PolarHBondContact O-N 3.21Å |
| 7 | F | 51.9 | Low | 53.3 | Low | 152 Ų | 152 | 126.1 Ų | 126.1 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -71.4 | -38.1 | 173.8 | -99 | -86.1 | 0 | 0 | 0 | 112.3 | A3 M4 L10 L11 | A3-F7 PolarHBondContact O-N 3.29Å; M4-F7 PolarHBondContact O-N 3.07Å; F7-L10 PolarHBondContact O-N 3.02Å; F7-L11 PolarHBondContact O-N 3.23Å |
| 8 | A | 54.5 | Low | 53.5 | Low | 52 Ų | 52 | 128.3 Ų | 128.3 | 43% | 0.43 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -65.2 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M4 L10 L11 L12 | M4-A8 PolarHBondContact O-N 2.93Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.12Å; A8-L11 PolarHBondContact O-N 3.02Å; A8-L12 PolarHBondContact O-N 3.13Å |
| 9 | A | 54.1 | Low | 53.7 | Low | 60 Ų | 60 | 126.9 Ų | 126.9 | 50% | 0.496 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -67.2 | -30.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A5 | A5-A9 WeakPolarHBondContact O-CB 3.18Å; A5-A9 PolarHBondContact O-N 2.83Å; A5-A9 VanDerWaalsContact O-N 3.11Å |
| 10 | L | 54.6 | Low | 54 | Low | 138 Ų | 138 | 126.5 Ų | 126.5 | 72% | 0.723 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75 | -27.1 | 176.3 | -126.3 | 90.8 | 0 | 0 | 0 | 113 | R6 F7 A8 | R6-L10 PolarHBondContact O-N 3.21Å; F7-L10 PolarHBondContact O-N 3.02Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.12Å |
| 11 | L | 55.3 | Low | 54.5 | Low | 138 Ų | 138 | 126.1 Ų | 126.1 | 72% | 0.723 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -83.2 | -17.4 | 179.1 | -97 | 148.3 | 0 | 0 | 0 | 113.8 | F7 A8 P14 | F7-L11 PolarHBondContact O-N 3.23Å; A8-L11 PolarHBondContact O-N 3.02Å; L11-P14 WeakPolarHBondContact O-CD 3.47Å |
| 12 | L | 54.2 | Low | 56.2 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -90.2 | -2.8 | 177.3 | -93.6 | 145.4 | 0 | 0 | 0 | 113.9 | A8 | A8-L12 PolarHBondContact O-N 3.13Š|
| 13 | L | 56.3 | Low | 58.3 | Low | 143 Ų | 143 | 116 Ų | 116 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -14 | -175.4 | -134.5 | 79.9 | 0 | 0 | 0 | 117.3 | V15 | L13-V15 PolarHBondContact O-N 3.02Š|
| 14 | P | 55.9 | Low | 60.4 | Low | 88 Ų | 88 | 116 Ų | 116 | 57% | 0.571 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 8.2 | -177.6 | 34.4 | -31.1 | 0 | 0 | 0 | 114.8 | L11 L16 | L11-P14 WeakPolarHBondContact O-CD 3.47Å; P14-L16 PolarHBondContact O-N 3.35Å |
| 15 | V | 58.3 | Low | 62.4 | Low | 120 Ų | 120 | 110.5 Ų | 110.5 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -95 | 26 | -172.6 | -167.2 | 0 | 0 | 0 | 0 | 113.6 | L13 | L13-V15 PolarHBondContact O-N 3.02Š|
| 16 | L | 56.1 | Low | 64.4 | Low | 154 Ų | 154 | 113.3 Ų | 113.3 | 81% | 0.806 | 62% | 0.617 | S | S | * | * | trans | -133.1 | 32.4 | -180 | -79.7 | 159.2 | 0 | 0 | 0 | 112.4 | P14 E18 | P14-L16 PolarHBondContact O-N 3.35Å; L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 2.92Å | ||
| 17 | I | 60.2 | Low | 66.3 | Low | 149 Ų | 149 | 104.3 Ų | 104.3 | 76% | 0.764 | 58% | 0.582 | S | S | * | * | trans | -88.1 | 83.1 | 167.8 | -51.2 | 175.8 | 0 | 0 | 0 | 106.9 | S19 | I17-S19 PolarHBondContact O-N 3.4Š| ||
| 18 | E | 57.8 | Low | 68.1 | Low | 165 Ų | 165 | 99.1 Ų | 99.1 | 77% | 0.771 | 56% | 0.564 | S | S | * | * | trans | -65.6 | 111.1 | 158.8 | -76 | -178.8 | 175.9 | 0 | 0 | 107.1 | L16 V20 | L16-E18 VanDerWaalsContact C-N 3.33Å; L16-E18 PolarHBondContact O-N 2.92Å; E18-V20 PolarHBondContact O-N 3.26Å; E18-V20 VanDerWaalsContact O-N 3.07Å | ||
| 19 | S | 57.4 | Low | 69.8 | Low | 102 Ų | 102 | 98.1 Ų | 98.1 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | trans | -74.1 | 95.8 | 171.5 | 56.7 | 0 | 0 | 0 | 0 | 108.4 | I17 | I17-S19 PolarHBondContact O-N 3.4Š| ||
| 20 | V | 58.5 | Low | 71.4 | Confident | 118 Ų | 118 | 99.1 Ų | 99.1 | 72% | 0.715 | 55% | 0.55 | S | S | * | . | trans | -87.6 | 105.1 | 165 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | E18 S22 | E18-V20 PolarHBondContact O-N 3.26Å; E18-V20 VanDerWaalsContact O-N 3.07Å; V20-S22 PolarHBondContact O-N 3.35Å | ||
| 21 | V | 66 | Low | 73.1 | Confident | 119 Ų | 119 | 94 Ų | 94 | 72% | 0.721 | 53% | 0.525 | S | S | * | . | trans | -91 | 90.3 | 172.5 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 22 | S | 79.1 | Confident | 75 | Confident | 51 Ų | 51 | 94.9 Ų | 94.9 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | trans | -123.6 | 134.6 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | V20 L114 | V20-S22 PolarHBondContact O-N 3.35Å; S22-L114 PolarHBondContact OG-O 3.01Å | ||
| 23 | I | 89.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 92.6 Ų | 92.6 | 35% | 0.354 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114 | -179.4 | -58.9 | 174.2 | 0 | 0 | 0 | 107.3 | F25 L35 L114 | I23-F25 HydrophobicContact CG2-CD1 4.05Å; I23-L35 HydrophobicContact CD1-CD1 4.33Å; I23-L35 HydrophobicContact CD1-CD2 3.54Å; I23-L114 PolarHBondContact N-O 3.02Å; I23-L114 PolarHBondContact O-N 3.41Å |
| 24 | S | 92.4 | Very high | 78.8 | Confident | 77 Ų | 77 | 88 Ų | 88 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.4 | 173.7 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | V112 N113 | S24-V112 WeakPolarHBondContact CA-O 3.46Å; S24-N113 VanDerWaalsContact CB-OD1 3.25Å; S24-N113 WeakPolarHBondContact CB-OD1 3.42Å |
| 25 | F | 93.7 | Very high | 80.6 | Confident | 41 Ų | 41 | 86.1 Ų | 86.1 | 18% | 0.18 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.1 | 177 | 62.3 | -90.4 | 0 | 0 | 0 | 112.2 | I23 L27 K33 F96 V112 | I23-F25 HydrophobicContact CG2-CD1 4.05Å; F25-L27 HydrophobicContact CE2-CB 4.42Å; F25-K33 HydrophobicContact CD2-CB 4.32Å; F25-K33 HydrophobicContact CD2-CD 3.71Å; F25-K33 HydrophobicContact CE2-CB 3.84Å; F25-K33 HydrophobicContact CE2-CD 4.07Å; F25-F96 AromaticContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CE2 4.11Å; F25-F96 HydrophobicContact CZ-CG 4.33Å; F25-V112 HydrophobicContact CD2-CB 4.31Å; F25-V112 HydrophobicContact CE1-CB 4.16Å; F25-V112 HydrophobicContact CE1-CG1 3.97Å; F25-V112 HydrophobicContact CE2-CB 3.88Å; F25-V112 HydrophobicContact CE2-CG1 4.27Å; F25-V112 HydrophobicContact CE2-CG2 4.1Å; F25-V112 HydrophobicContact CZ-CB 3.8Å; F25-V112 HydrophobicContact CZ-CG1 3.69Å; F25-V112 HydrophobicContact CZ-CG2 4.34Å; F25-V112 PolarHBondContact N-O 3.28Å; F25-V112 PolarHBondContact O-N 3.29Å |
| 26 | F | 93.3 | Very high | 82.3 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.9 | 171.8 | -64.7 | -79.7 | 0 | 0 | 0 | 110.3 | P28 K33 D109 Q110 L111 | F26-P28 WeakPolarHBondContact O-CD 3.31Å; F26-K33 WeakPolarHBondContact O-CD 3.24Å; F26-K33 VanDerWaalsContact O-CE 3.31Å; F26-K33 WeakPolarHBondContact O-CE 3.4Å; F26-K33 PolarHBondContact O-NZ 2.9Å; F26-D109 HydrophobicContact CB-CB 4.1Å; F26-D109 HydrophobicContact CD1-CB 4.26Å; F26-Q110 CarbonylContact C-O 3.53Å; F26-Q110 WeakPolarHBondContact CA-O 3.29Å; F26-L111 HydrophobicContact CD1-CD1 4.1Å; F26-L111 HydrophobicContact CE1-CB 4.39Å; F26-L111 HydrophobicContact CE1-CD1 3.88Å; F26-L111 HydrophobicContact CE2-CD1 4.41Å; F26-L111 HydrophobicContact CG-CD1 4.46Å; F26-L111 HydrophobicContact CZ-CD1 4.04Å |
| 27 | L | 93.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 106.3 | 175.8 | -178 | 65.9 | 0 | 0 | 0 | 109.1 | F25 K33 T59 F96 Q110 V112 | F25-L27 HydrophobicContact CE2-CB 4.42Å; L27-K33 HydrophobicContact CD1-CB 3.89Å; L27-K33 HydrophobicContact CD1-CD 4.35Å; L27-K33 HydrophobicContact CD1-CG 3.9Å; L27-T59 HydrophobicContact CD2-CG2 3.65Å; L27-F96 HydrophobicContact CD2-CB 3.87Å; L27-Q110 HydrophobicContact CB-CB 4.49Å; L27-Q110 PolarHBondContact N-O 3.25Å; L27-Q110 PolarHBondContact O-N 3.18Å; L27-V112 HydrophobicContact CB-CG2 3.94Å; L27-V112 HydrophobicContact CD2-CG2 4.13Å |
| 28 | P | 90.3 | Very high | 85.3 | Confident | 43 Ų | 43 | 84.2 Ų | 84.2 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | trans | -63.5 | 156.1 | 174.5 | -22 | 32 | 0 | 0 | 0 | 112.8 | F26 S31 D109 | F26-P28 WeakPolarHBondContact O-CD 3.31Å; P28-S31 VanDerWaalsContact CD-OG 3.29Å; P28-S31 WeakPolarHBondContact CD-OG 3.48Å; P28-S31 WeakPolarHBondContact O-CB 3.47Å; P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.43Å; P28-D109 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 29 | V | 88.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 77 Ų | 77 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 141.9 | 178 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | S31 T57 V107 | V29-S31 PolarHBondContact O-N 3.02Å; V29-T57 HydrophobicContact CG2-CG2 4.35Å; V29-V107 HydrophobicContact CG2-CB 3.62Å; V29-V107 HydrophobicContact CG2-CG1 3.54Å |
| 30 | N | 88.4 | Confident | 88.1 | Confident | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 29.1 | -176.8 | -61.4 | -38.8 | 0 | 0 | 0 | 113 | S98 S100 | N30-S98 WeakPolarHBondContact CA-O 3.4Å; N30-S98 PolarHBondContact N-O 2.89Å; N30-S100 PolarHBondContact OD1-N 3.19Å |
| 31 | S | 91.6 | Very high | 89.4 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | trans | -120.5 | 159.2 | 177.1 | 83.5 | 0 | 0 | 0 | 0 | 111.6 | P28 V29 S98 | P28-S31 VanDerWaalsContact CD-OG 3.29Å; P28-S31 WeakPolarHBondContact CD-OG 3.48Å; P28-S31 WeakPolarHBondContact O-CB 3.47Å; P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.43Å; V29-S31 PolarHBondContact O-N 3.02Å; S31-S98 PolarHBondContact O-N 2.7Å | ||
| 32 | R | 93.9 | Very high | 90.3 | Very high | 156 Ų | 156 | 73.9 Ų | 73.9 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.5 | 174.7 | -168.9 | -176.9 | 93 | 167.9 | 15.7 | 108.9 | C34 E93 C95 F96 E97 | R32-C34 PolarHBondContact NE-SG 3.4Å; R32-E93 IonicContact NH2-OE2 3.77Å; R32-C95 HydrophobicContact CG-CB 4.31Å; R32-F96 VanDerWaalsContact CA-O 3.31Å; R32-F96 WeakPolarHBondContact CA-O 3.05Å; R32-E97 HydrophobicContact CB-CG 4.44Å; R32-E97 HydrophobicContact CG-CB 4.24Å |
| 33 | K | 95 | Very high | 90.8 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.6 | 169.3 | -73.3 | -168.7 | 169.8 | -172.7 | 0 | 109.8 | F25 F26 L27 C95 F96 | F25-K33 HydrophobicContact CD2-CB 4.32Å; F25-K33 HydrophobicContact CD2-CD 3.71Å; F25-K33 HydrophobicContact CE2-CB 3.84Å; F25-K33 HydrophobicContact CE2-CD 4.07Å; F26-K33 WeakPolarHBondContact O-CD 3.24Å; F26-K33 VanDerWaalsContact O-CE 3.31Å; F26-K33 WeakPolarHBondContact O-CE 3.4Å; F26-K33 PolarHBondContact O-NZ 2.9Å; L27-K33 HydrophobicContact CD1-CB 3.89Å; L27-K33 HydrophobicContact CD1-CD 4.35Å; L27-K33 HydrophobicContact CD1-CG 3.9Å; K33-C95 CarbonylContact O-C 3.56Å; K33-C95 WeakPolarHBondContact O-CA 3.46Å; K33-F96 PolarHBondContact N-O 3.46Å; K33-F96 PolarHBondContact O-N 2.75Å |
| 34 | C | 94.9 | Very high | 90.9 | Very high | 46 Ų | 46 | 72.1 Ų | 72.1 | 31% | 0.311 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.8 | -174.3 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | R32 E93 V94 C95 | R32-C34 PolarHBondContact NE-SG 3.4Å; C34-E93 VanDerWaalsContact CB-CD 3.44Å; C34-E93 HydrophobicContact CB-CG 3.5Å; C34-E93 WeakPolarHBondContact CB-OE1 3.44Å; C34-E93 PolarHBondContact SG-OE1 2.92Å; C34-E93 VanDerWaalsContact SG-OE1 3.4Å; C34-V94 CarbonylContact C-O 3.53Å; C34-V94 VanDerWaalsContact CA-O 3.23Å; C34-V94 WeakPolarHBondContact CA-O 3.44Å; C34-C95 HydrophobicContact CB-CB 4.09Å; C34-C95 WeakPolarHBondContact CB-SG 3.36Å; C34-C95 WeakPolarHBondContact SG-CB 3.24Å; C34-C95 CovalentContact SG-SG 2.04Å; C34-C95 PolarHBondContact SG-SG 3.39Å |
| 35 | L | 94.2 | Very high | 90.9 | Very high | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.3 | 170.6 | -179 | 68.5 | 0 | 0 | 0 | 107.9 | I23 E93 V94 L114 M116 | I23-L35 HydrophobicContact CD1-CD1 4.33Å; I23-L35 HydrophobicContact CD1-CD2 3.54Å; L35-E93 CarbonylContact O-C 3.45Å; L35-E93 VanDerWaalsContact O-CA 3.3Å; L35-E93 WeakPolarHBondContact O-CA 3.44Å; L35-V94 PolarHBondContact N-O 3.33Å; L35-V94 PolarHBondContact O-N 3.35Å; L35-L114 HydrophobicContact CD2-CD2 3.88Å; L35-M116 HydrophobicContact CD2-CE 4.23Å |
| 36 | R | 93.3 | Very high | 90.9 | Very high | 172 Ų | 172 | 68 Ų | 68 | 65% | 0.649 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.2 | 177.7 | -172 | 174.6 | 66.5 | 177.4 | 3.4 | 109.6 | M91 F92 E93 | R36-M91 HydrophobicContact CG-CB 4.2Å; R36-M91 HydrophobicContact CG-SD 4.32Å; R36-F92 WeakPolarHBondContact CA-O 3.38Å; R36-E93 HydrophobicContact CB-CB 4.46Å; R36-E93 HydrophobicContact CB-CG 4.34Å; R36-E93 HydrophobicContact CG-CB 4.46Å |
| 37 | E | 90.9 | Very high | 90.9 | Very high | 59 Ų | 59 | 62.6 Ų | 62.6 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.5 | -176.5 | -164.6 | 166 | 175.4 | 0 | 0 | 110.9 | I39 M91 F92 M116 | E37-I39 HydrophobicContact CG-CD1 4Å; E37-I39 HydrophobicContact CG-CG1 4.1Å; E37-M91 VanDerWaalsContact O-CA 3.28Å; E37-M91 WeakPolarHBondContact O-CA 3.5Å; E37-F92 HydrophobicContact CB-CZ 4.23Å; E37-F92 PolarHBondContact N-O 2.79Å; E37-F92 PolarHBondContact O-N 3.31Å; E37-M116 WeakPolarHBondContact OE2-CE 3.49Å |
| 38 | E | 89.6 | Confident | 91 | Very high | 151 Ų | 151 | 65.8 Ų | 65.8 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 115.8 | 173.7 | -73.7 | 174.9 | -164.9 | 0 | 0 | 108.5 | M91 | E38-M91 HydrophobicContact CB-CG 4.34Å; E38-M91 HydrophobicContact CG-CG 3.41Å; E38-M91 VanDerWaalsContact CG-CG 3.41Å; E38-M91 HydrophobicContact CG-SD 3.92Å |
| 39 | I | 87.4 | Confident | 91.2 | Very high | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.5 | 179.7 | -66.2 | -62.6 | 0 | 0 | 0 | 110.1 | E37 V43 V45 T86 D90 F92 | E37-I39 HydrophobicContact CG-CD1 4Å; E37-I39 HydrophobicContact CG-CG1 4.1Å; I39-V43 HydrophobicContact CG2-CB 3.75Å; I39-V43 HydrophobicContact CG2-CG1 3.94Å; I39-V43 HydrophobicContact CG2-CG2 4.2Å; I39-V45 HydrophobicContact CG2-CG2 4.45Å; I39-T86 HydrophobicContact CB-CG2 4.27Å; I39-T86 HydrophobicContact CG2-CG2 3.88Å; I39-D90 PolarHBondContact N-O 2.81Å; I39-F92 HydrophobicContact CB-CE1 4.08Å; I39-F92 HydrophobicContact CG1-CD1 4.36Å; I39-F92 HydrophobicContact CG1-CE1 3.52Å; I39-F92 HydrophobicContact CG1-CZ 4.22Å |
| 40 | H | 85.4 | Confident | 91.5 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | trans | -71 | 162.7 | 178.8 | -63.9 | 57.5 | 0 | 0 | 0 | 110.8 | V43 T86 Y89 Y157 | H40-V43 HydrophobicContact CB-CG2 3.92Å; H40-T86 PolarHBondContact O-OG1 3.06Å; H40-Y89 HydrophobicContact CB-CD2 4.23Å; H40-Y89 HydrophobicContact CB-CE2 3.69Å; H40-Y89 AromaticContact CD2-CE2 3.42Å; H40-Y89 VanDerWaalsContact CD2-CE2 3.42Å; H40-Y89 WeakPolarHBondContact CD2-CE2 3.34Å; H40-Y89 AromaticContact CD2-CZ 3.38Å; H40-Y89 PolarHBondContact CD2-OH 3.14Å; H40-Y89 PolarHBondContact CE1-OH 3.24Å; H40-Y89 VanDerWaalsContact CE1-OH 3.32Å; H40-Y89 AromaticContact CG-CE2 3.58Å; H40-Y89 AromaticContact CG-CZ 3.49Å; H40-Y89 VanDerWaalsContact CG-CZ 3.49Å; H40-Y89 AromaticContact ND1-CZ 3.96Å; H40-Y89 AromaticContact NE2-CZ 3.8Å; H40-Y89 PolarHBondContact NE2-OH 2.96Å; H40-Y157 AromaticContact NE2-CD1 3.69Å; H40-Y157 AromaticContact NE2-CG 3.88Å | ||
| 41 | K | 85.9 | Confident | 91.7 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 43% | 0.426 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 146 | 173.5 | -168.1 | -175.9 | 169.7 | 74.8 | 0 | 111.5 | V43 E87 D88 Y89 | K41-V43 VanDerWaalsContact C-N 3.31Å; K41-V43 PolarHBondContact O-N 2.81Å; K41-E87 VanDerWaalsContact CG-O 3.27Å; K41-E87 WeakPolarHBondContact CG-O 3.47Å; K41-E87 PolarHBondContact NZ-O 3.47Å; K41-D88 IonicContact NZ-OD1 2.81Å; K41-D88 PolarHBondContact NZ-OD1 2.86Å; K41-Y89 HydrophobicContact CB-CD2 4.21Å |
| 42 | D | 86.4 | Confident | 91.7 | Very high | 114 Ų | 114 | 64.5 Ų | 64.5 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 31.1 | 172.8 | -57.4 | -49 | 0 | 0 | 0 | 114.5 | T86 | D42-T86 VanDerWaalsContact CA-O 3.29Å; D42-T86 WeakPolarHBondContact CA-O 3.47Å; D42-T86 PolarHBondContact N-O 2.94Å; D42-T86 PolarHBondContact N-OG1 2.79Å |
| 43 | V | 89.6 | Confident | 91.2 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | trans | -102.5 | 127.8 | 178.9 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | I39 H40 K41 T85 T86 H118 | I39-V43 HydrophobicContact CG2-CB 3.75Å; I39-V43 HydrophobicContact CG2-CG1 3.94Å; I39-V43 HydrophobicContact CG2-CG2 4.2Å; H40-V43 HydrophobicContact CB-CG2 3.92Å; K41-V43 VanDerWaalsContact C-N 3.31Å; K41-V43 PolarHBondContact O-N 2.81Å; V43-T85 WeakPolarHBondContact O-CA 3.32Å; V43-T86 PolarHBondContact N-OG1 2.53Å; V43-T86 PolarHBondContact O-N 2.89Å; V43-T86 PolarHBondContact O-OG1 2.82Å; V43-H118 HydrophobicContact CG1-CB 4.2Å | ||
| 44 | L | 91.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 126.7 | 171.6 | 179.2 | 66.8 | 0 | 0 | 0 | 109.9 | T46 H118 G119 A122 K123 | L44-T46 HydrophobicContact CD2-CG2 4.45Å; L44-T46 HydrophobicContact CG-CG2 4.31Å; L44-H118 CarbonylContact O-C 3.55Å; L44-H118 WeakPolarHBondContact O-CA 3.1Å; L44-G119 PolarHBondContact O-N 2.69Å; L44-A122 HydrophobicContact CB-CB 4.43Å; L44-A122 HydrophobicContact CD2-CB 4.15Å; L44-A122 HydrophobicContact CG-CB 4.04Å; L44-A122 WeakPolarHBondContact O-CB 2.98Å; L44-K123 HydrophobicContact CD2-CG 4.35Å |
| 45 | V | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.9 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | I39 A83 F84 T86 F92 M116 K117 | I39-V45 HydrophobicContact CG2-CG2 4.45Å; V45-A83 VanDerWaalsContact O-CA 3.29Å; V45-A83 WeakPolarHBondContact O-CA 3.4Å; V45-F84 HydrophobicContact CB-CD1 4.48Å; V45-F84 HydrophobicContact CB-CD2 4.32Å; V45-F84 HydrophobicContact CB-CE1 4.03Å; V45-F84 HydrophobicContact CB-CE2 3.87Å; V45-F84 HydrophobicContact CB-CZ 3.7Å; V45-F84 HydrophobicContact CG1-CE1 3.89Å; V45-F84 HydrophobicContact CG1-CE2 4.35Å; V45-F84 HydrophobicContact CG1-CZ 3.69Å; V45-F84 HydrophobicContact CG2-CE2 4.02Å; V45-F84 HydrophobicContact CG2-CZ 4.16Å; V45-F84 PolarHBondContact N-O 2.93Å; V45-F84 PolarHBondContact O-N 2.86Å; V45-F84 VanDerWaalsContact O-O 3.13Å; V45-T86 HydrophobicContact CG2-CG2 4.4Å; V45-F92 HydrophobicContact CG1-CE1 4.41Å; V45-F92 HydrophobicContact CG1-CZ 3.98Å; V45-F92 HydrophobicContact CG2-CE1 3.99Å; V45-F92 HydrophobicContact CG2-CZ 4.35Å; V45-M116 HydrophobicContact CG1-CG 3.85Å; V45-M116 HydrophobicContact CG1-SD 3.91Å; V45-K117 WeakPolarHBondContact CA-O 3.21Å |
| 46 | T | 93.1 | Very high | 88.9 | Confident | 32 Ų | 32 | 67.4 Ų | 67.4 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.6 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 109.1 | L44 F82 A83 M116 K117 A122 | L44-T46 HydrophobicContact CD2-CG2 4.45Å; L44-T46 HydrophobicContact CG-CG2 4.31Å; T46-F82 WeakPolarHBondContact CA-O 3.49Å; T46-A83 HydrophobicContact CG2-CB 3.9Å; T46-M116 WeakPolarHBondContact O-CA 3.48Å; T46-K117 PolarHBondContact N-O 3.46Å; T46-K117 PolarHBondContact O-N 3.31Å; T46-A122 HydrophobicContact CG2-CB 3.93Å; T46-A122 WeakPolarHBondContact OG1-CA 3.27Å; T46-A122 WeakPolarHBondContact OG1-CB 3.28Å |
| 47 | G | 93.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 150.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K81 F82 D115 | G47-K81 CarbonylContact O-C 3.51Å; G47-K81 VanDerWaalsContact O-CA 3.22Å; G47-K81 WeakPolarHBondContact O-CA 3.14Å; G47-F82 PolarHBondContact N-O 2.8Å; G47-F82 PolarHBondContact O-N 2.86Å; G47-D115 CarbonylContact C-O 3.52Å; G47-D115 WeakPolarHBondContact CA-O 3.19Å |
| 48 | E | 94.3 | Very high | 88.4 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.2 | 172.9 | -176.6 | 159.6 | -163.1 | 0 | 0 | 108.5 | G80 K81 D115 | E48-G80 WeakPolarHBondContact CA-O 3.41Å; E48-K81 HydrophobicContact CB-CG 4.1Å; E48-K81 VanDerWaalsContact CD-NZ 3.3Å; E48-K81 HydrophobicContact CG-CG 3.98Å; E48-K81 WeakPolarHBondContact OE1-CE 3.13Å; E48-K81 IonicContact OE1-NZ 2.68Å; E48-K81 PolarHBondContact OE1-NZ 2.91Å; E48-K81 WeakPolarHBondContact OE2-CE 3.45Å; E48-K81 IonicContact OE2-NZ 3.02Å; E48-K81 PolarHBondContact OE2-NZ 2.94Å; E48-D115 PolarHBondContact N-O 3.31Å; E48-D115 PolarHBondContact O-N 3.45Å |
| 49 | Y | 94.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.4 | 179.2 | 66.8 | -89.5 | 0 | 0 | 0 | 110.8 | I51 L61 A77 K79 G80 F82 F96 N113 | Y49-I51 HydrophobicContact CD2-CD1 4.19Å; Y49-I51 HydrophobicContact CD2-CG1 4.24Å; Y49-L61 HydrophobicContact CD1-CD2 3.55Å; Y49-L61 HydrophobicContact CD2-CD2 4.49Å; Y49-L61 HydrophobicContact CE1-CD2 3.37Å; Y49-L61 HydrophobicContact CE2-CD2 4.37Å; Y49-L61 HydrophobicContact CG-CD2 4.12Å; Y49-A77 HydrophobicContact CE2-CB 3.77Å; Y49-K79 WeakPolarHBondContact O-CA 3.28Å; Y49-G80 VanDerWaalsContact CD1-O 3.32Å; Y49-G80 WeakPolarHBondContact CD1-O 3.22Å; Y49-G80 PolarHBondContact N-O 3.44Å; Y49-G80 PolarHBondContact O-N 2.65Å; Y49-F82 AromaticContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CE1 4.14Å; Y49-F82 HydrophobicContact CE1-CD1 4.25Å; Y49-F96 HydrophobicContact CD2-CE1 4.37Å; Y49-F96 HydrophobicContact CG-CE1 4.31Å; Y49-N113 CarbonylContact C-O 3.56Å; Y49-N113 VanDerWaalsContact CA-O 3.27Å; Y49-N113 WeakPolarHBondContact CA-O 3.29Å |
| 50 | E | 95 | Very high | 89 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 123.4 | 174 | -174.3 | 165.6 | -130.9 | 0 | 0 | 109.2 | K79 N113 | E50-K79 HydrophobicContact CB-CG 4.46Å; E50-K79 HydrophobicContact CG-CD 4.35Å; E50-K79 HydrophobicContact CG-CG 4.46Å; E50-K79 IonicContact OE1-NZ 3.57Å; E50-K79 PolarHBondContact OE1-NZ 2.96Å; E50-K79 IonicContact OE2-NZ 3.16Å; E50-N113 HydrophobicContact CB-CB 4.49Å; E50-N113 PolarHBondContact N-O 3.41Å; E50-N113 PolarHBondContact O-N 3.28Å |
| 51 | I | 93.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.5 | -175.8 | -54.8 | 175.9 | 0 | 0 | 0 | 107.6 | Y49 E53 T59 A77 T78 F96 Q110 V112 | Y49-I51 HydrophobicContact CD2-CD1 4.19Å; Y49-I51 HydrophobicContact CD2-CG1 4.24Å; I51-E53 PolarHBondContact O-N 2.68Å; I51-T59 HydrophobicContact CD1-CG2 3.87Å; I51-A77 HydrophobicContact CD1-CB 4.23Å; I51-A77 WeakPolarHBondContact CD1-O 3.49Å; I51-T78 WeakPolarHBondContact CB-O 3.37Å; I51-T78 PolarHBondContact N-O 2.94Å; I51-F96 HydrophobicContact CD1-CD1 3.78Å; I51-F96 HydrophobicContact CD1-CE1 3.93Å; I51-F96 HydrophobicContact CG1-CE1 4.43Å; I51-Q110 HydrophobicContact CG2-CB 4.4Å; I51-V112 HydrophobicContact CG1-CG1 4.27Å; I51-V112 HydrophobicContact CG1-CG2 4.21Å; I51-V112 HydrophobicContact CG2-CG2 4.23Å |
| 52 | S | 91 | Very high | 90 | Very high | 58 Ų | 58 | 53.7 Ų | 53.7 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | trans | -62.7 | 122.3 | 175.2 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | Q54 Q110 L111 | S52-Q54 PolarHBondContact O-N 2.89Å; S52-Q110 PolarHBondContact O-NE2 3.33Å; S52-L111 PolarHBondContact N-O 3.16Å | ||
| 53 | E | 83.1 | Confident | 90.4 | Very high | 156 Ų | 156 | 48.3 Ų | 48.3 | 73% | 0.729 | 26% | 0.258 | S | S | * | . | trans | -68.6 | 129.3 | 177.9 | -69.5 | -171.1 | 171.1 | 0 | 0 | 111.1 | I51 T78 | I51-E53 PolarHBondContact O-N 2.68Å; E53-T78 HydrophobicContact CG-CG2 4.47Å | ||
| 54 | Q | 81.2 | Confident | 90.6 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | trans | -132.6 | 140.5 | 174.6 | -79.5 | 172.3 | -8.6 | 0 | 0 | 110.4 | S52 N56 T57 P108 D109 Q110 | S52-Q54 PolarHBondContact O-N 2.89Å; Q54-N56 PolarHBondContact O-N 3.14Å; Q54-T57 HydrophobicContact CB-CG2 4.42Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.46Å; Q54-T57 PolarHBondContact O-N 3.08Å; Q54-T57 PolarHBondContact O-OG1 3.47Å; Q54-P108 HydrophobicContact CG-CG 4.35Å; Q54-P108 PolarHBondContact OE1-O 3.5Å; Q54-D109 PolarHBondContact NE2-O 3Å; Q54-Q110 HydrophobicContact CB-CG 4.31Å; Q54-Q110 HydrophobicContact CG-CG 4.33Å | ||
| 55 | A | 76.3 | Confident | 90.6 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 74% | 0.736 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 132.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T57 | A55-T57 VanDerWaalsContact C-N 3.3Å; A55-T57 PolarHBondContact O-N 2.75Å |
| 56 | N | 78.9 | Confident | 90.4 | Very high | 111 Ų | 111 | 49.6 Ų | 49.6 | 59% | 0.594 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 31.2 | 178.7 | -62.7 | -20.9 | 0 | 0 | 0 | 115.2 | Q54 S100 P101 | Q54-N56 PolarHBondContact O-N 3.14Å; N56-S100 WeakPolarHBondContact O-CB 3.43Å; N56-S100 PolarHBondContact O-OG 3.45Å; N56-P101 WeakPolarHBondContact O-CD 3.31Å |
| 57 | T | 84 | Confident | 90.1 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.117 | 29% | 0.292 | C | S | . | . | trans | -123 | 137 | 170.6 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | V29 Q54 A55 V107 Q110 | V29-T57 HydrophobicContact CG2-CG2 4.35Å; Q54-T57 HydrophobicContact CB-CG2 4.42Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.46Å; Q54-T57 PolarHBondContact O-N 3.08Å; Q54-T57 PolarHBondContact O-OG1 3.47Å; A55-T57 VanDerWaalsContact C-N 3.3Å; A55-T57 PolarHBondContact O-N 2.75Å; T57-V107 HydrophobicContact CG2-CG1 3.59Å; T57-Q110 PolarHBondContact OG1-NE2 3Å | ||
| 58 | K | 90.3 | Very high | 89.8 | Confident | 112 Ų | 112 | 56.8 Ų | 56.8 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.8 | 177.6 | -75 | 175.1 | 162.4 | -114 | 0 | 108.3 | D76 K99 | K58-D76 VanDerWaalsContact CB-OD1 3.28Å; K58-D76 WeakPolarHBondContact CB-OD1 3.42Å; K58-D76 WeakPolarHBondContact CD-OD1 3.29Å; K58-D76 WeakPolarHBondContact CG-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-CG 3.32Å; K58-D76 IonicContact NZ-OD1 3.44Å; K58-D76 PolarHBondContact NZ-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-OD1 3.16Å; K58-D76 IonicContact NZ-OD2 2.65Å; K58-D76 PolarHBondContact NZ-OD2 2.9Å; K58-K99 PolarHBondContact N-O 3.32Å; K58-K99 PolarHBondContact O-N 2.95Å |
| 59 | T | 93.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.3 | -178.5 | -43.2 | 0 | 0 | 0 | 0 | 109.6 | L27 I51 D76 A77 F96 E97 Q110 | L27-T59 HydrophobicContact CD2-CG2 3.65Å; I51-T59 HydrophobicContact CD1-CG2 3.87Å; T59-D76 CarbonylContact O-C 3.52Å; T59-D76 WeakPolarHBondContact O-CA 3.29Å; T59-D76 PolarHBondContact O-N 2.69Å; T59-A77 PolarHBondContact O-N 2.83Å; T59-F96 HydrophobicContact CG2-CB 4.32Å; T59-E97 CarbonylContact C-O 3.51Å; T59-E97 WeakPolarHBondContact CA-O 3.41Å; T59-Q110 PolarHBondContact OG1-NE2 3.46Å; T59-Q110 PolarHBondContact OG1-OE1 2.91Å |
| 60 | N | 95.1 | Very high | 89.5 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 135.9 | 174.7 | -61.7 | -34.9 | 0 | 0 | 0 | 109.4 | E75 D76 F96 E97 | N60-E75 WeakPolarHBondContact OD1-CA 3.27Å; N60-D76 PolarHBondContact OD1-N 3.26Å; N60-F96 WeakPolarHBondContact O-CA 3.42Å; N60-E97 PolarHBondContact N-O 3.02Å; N60-E97 PolarHBondContact O-N 3.25Å |
| 61 | L | 96.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.7 | 173 | 171.6 | 60.4 | 0 | 0 | 0 | 108.9 | Y49 I63 Y72 S73 K74 A77 F82 V94 C95 F96 | Y49-L61 HydrophobicContact CD1-CD2 3.55Å; Y49-L61 HydrophobicContact CD2-CD2 4.49Å; Y49-L61 HydrophobicContact CE1-CD2 3.37Å; Y49-L61 HydrophobicContact CE2-CD2 4.37Å; Y49-L61 HydrophobicContact CG-CD2 4.12Å; L61-I63 HydrophobicContact CD1-CG1 4.39Å; L61-Y72 HydrophobicContact CD2-CD1 4.23Å; L61-Y72 HydrophobicContact CD2-CE1 3.89Å; L61-Y72 HydrophobicContact CG-CD1 4.45Å; L61-Y72 HydrophobicContact CG-CE1 4.44Å; L61-S73 WeakPolarHBondContact O-CA 3.46Å; L61-K74 HydrophobicContact CB-CB 4.38Å; L61-K74 PolarHBondContact N-O 2.95Å; L61-K74 PolarHBondContact O-N 3.13Å; L61-A77 HydrophobicContact CB-CB 4.01Å; L61-F82 HydrophobicContact CD2-CD1 4.28Å; L61-V94 HydrophobicContact CD1-CG1 3.71Å; L61-C95 WeakPolarHBondContact CA-O 3.31Å; L61-C95 WeakPolarHBondContact CD1-O 3.43Å; L61-F96 HydrophobicContact CB-CD1 4.5Å; L61-F96 HydrophobicContact CB-CE1 4.48Å; L61-F96 HydrophobicContact CD1-CD1 4.08Å; L61-F96 HydrophobicContact CD1-CD2 4.38Å; L61-F96 HydrophobicContact CD1-CE1 3.76Å; L61-F96 HydrophobicContact CD1-CE2 4.08Å; L61-F96 HydrophobicContact CD1-CG 4.39Å; L61-F96 HydrophobicContact CD1-CZ 3.76Å; L61-F96 HydrophobicContact CD2-CE1 4.38Å; L61-F96 HydrophobicContact CG-CE1 4.43Å |
| 62 | K | 96.1 | Very high | 89.4 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 43% | 0.426 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.8 | 174 | -164.6 | -176.2 | -177.3 | -175.1 | 0 | 109.8 | T64 T70 C95 | K62-T64 HydrophobicContact CD-CG2 4.01Å; K62-T64 HydrophobicContact CG-CG2 4.1Å; K62-T70 WeakPolarHBondContact CE-OG1 3.36Å; K62-T70 HydrophobicContact CG-CG2 4.08Å; K62-C95 PolarHBondContact N-O 3.46Å; K62-C95 PolarHBondContact O-N 3.45Å |
| 63 | I | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.9 | 173.9 | -51.3 | -175.2 | 0 | 0 | 0 | 107.5 | L61 L71 Y72 F82 F84 F92 E93 V94 | L61-I63 HydrophobicContact CD1-CG1 4.39Å; I63-L71 HydrophobicContact CB-CB 4.5Å; I63-L71 HydrophobicContact CG2-CB 4.23Å; I63-L71 HydrophobicContact CG2-CD1 4.29Å; I63-L71 PolarHBondContact O-N 2.81Å; I63-Y72 HydrophobicContact CD1-CD1 4.08Å; I63-Y72 HydrophobicContact CD1-CG 4.41Å; I63-Y72 HydrophobicContact CG1-CD1 4.31Å; I63-Y72 PolarHBondContact N-O 3.45Å; I63-Y72 PolarHBondContact O-N 3.32Å; I63-F82 HydrophobicContact CD1-CB 4.47Å; I63-F82 HydrophobicContact CD1-CD1 4.01Å; I63-F82 HydrophobicContact CD1-CD2 3.45Å; I63-F82 VanDerWaalsContact CD1-CD2 3.45Å; I63-F82 HydrophobicContact CD1-CE1 4.05Å; I63-F82 HydrophobicContact CD1-CE2 3.51Å; I63-F82 HydrophobicContact CD1-CG 3.71Å; I63-F82 HydrophobicContact CD1-CZ 3.8Å; I63-F84 HydrophobicContact CD1-CD1 4.43Å; I63-F84 HydrophobicContact CD1-CE1 4.05Å; I63-F84 HydrophobicContact CG2-CE1 3.92Å; I63-F84 HydrophobicContact CG2-CZ 4.15Å; I63-F92 HydrophobicContact CG2-CD2 4.38Å; I63-E93 WeakPolarHBondContact CA-O 3.45Å; I63-V94 HydrophobicContact CD1-CG1 4.43Å; I63-V94 HydrophobicContact CD1-CG2 4.21Å; I63-V94 HydrophobicContact CG1-CG1 4.19Å; I63-V94 HydrophobicContact CG1-CG2 4.18Å; I63-V94 HydrophobicContact CG2-CG2 4.18Å |
| 64 | T | 93.9 | Very high | 90.2 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.5 | -179.3 | 47 | 0 | 0 | 0 | 0 | 111.3 | K62 H69 F92 E93 | K62-T64 HydrophobicContact CD-CG2 4.01Å; K62-T64 HydrophobicContact CG-CG2 4.1Å; T64-H69 CarbonylContact C-O 3.57Å; T64-H69 WeakPolarHBondContact CA-O 3.35Å; T64-F92 CarbonylContact O-C 3.6Å; T64-F92 VanDerWaalsContact O-CA 3.29Å; T64-F92 WeakPolarHBondContact O-CA 3.41Å; T64-E93 PolarHBondContact N-O 3.33Å; T64-E93 PolarHBondContact O-N 2.76Å |
| 65 | D | 91.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 65.5 Ų | 65.5 | 16% | 0.16 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 172.3 | 169.1 | -161.6 | 5.7 | 0 | 0 | 0 | 111.4 | S67 S68 H69 L71 D90 M91 | D65-S67 PolarHBondContact O-N 2.96Å; D65-S68 WeakPolarHBondContact O-CA 3.44Å; D65-S68 PolarHBondContact O-N 3.46Å; D65-H69 HydrophobicContact CB-CB 4.47Å; D65-H69 PolarHBondContact N-O 2.79Å; D65-L71 HydrophobicContact CB-CD1 4.29Å; D65-L71 HydrophobicContact CB-CG 4.42Å; D65-D90 WeakPolarHBondContact OD1-CB 3.27Å; D65-M91 CarbonylContact C-O 3.53Å |
| 66 | S | 88.3 | Confident | 91.5 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -30.3 | -179.3 | 94.3 | 0 | 0 | 0 | 0 | 112.5 | S68 D90 M91 | S66-S68 PolarHBondContact O-N 3Å; S66-S68 VanDerWaalsContact O-N 3.12Å; S66-D90 VanDerWaalsContact CB-CG 3.42Å; S66-D90 WeakPolarHBondContact CB-OD1 3.48Å; S66-D90 VanDerWaalsContact CB-OD2 3.27Å; S66-D90 WeakPolarHBondContact CB-OD2 3.34Å; S66-D90 PolarHBondContact OG-OD1 2.9Å; S66-D90 PolarHBondContact OG-OD2 2.85Å; S66-M91 PolarHBondContact N-O 2.76Å |
| 67 | S | 87.3 | Confident | 92.2 | Very high | 96 Ų | 96 | 59.8 Ų | 59.8 | 67% | 0.671 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 8.4 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 113.4 | D65 H69 | D65-S67 PolarHBondContact O-N 2.96Å; S67-H69 PolarHBondContact O-N 3.39Å; S67-H69 VanDerWaalsContact O-N 3.14Å |
| 68 | S | 85.9 | Confident | 92.6 | Very high | 94 Ų | 94 | 62 Ų | 62 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | trans | 60.5 | 15.8 | -176.1 | -58.9 | 0 | 0 | 0 | 0 | 114.6 | D65 S66 | D65-S68 WeakPolarHBondContact O-CA 3.44Å; D65-S68 PolarHBondContact O-N 3.46Å; S66-S68 PolarHBondContact O-N 3Å; S66-S68 VanDerWaalsContact O-N 3.12Å | ||
| 69 | H | 91 | Very high | 92.8 | Very high | 110 Ų | 110 | 62.1 Ų | 62.1 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | trans | -69.1 | 133.1 | 171.1 | -175.7 | -132.7 | 0 | 0 | 0 | 109.4 | T64 D65 S67 L71 | T64-H69 CarbonylContact C-O 3.57Å; T64-H69 WeakPolarHBondContact CA-O 3.35Å; D65-H69 HydrophobicContact CB-CB 4.47Å; D65-H69 PolarHBondContact N-O 2.79Å; S67-H69 PolarHBondContact O-N 3.39Å; S67-H69 VanDerWaalsContact O-N 3.14Å; H69-L71 PolarHBondContact O-N 3.23Å | ||
| 70 | T | 92.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 62.9 Ų | 62.9 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 107.6 | -176.8 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | K62 | K62-T70 WeakPolarHBondContact CE-OG1 3.36Å; K62-T70 HydrophobicContact CG-CG2 4.08Å |
| 71 | L | 91.9 | Very high | 92.8 | Very high | 49 Ų | 49 | 68 Ų | 68 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -37.2 | -179.5 | -57.7 | 177.4 | 0 | 0 | 0 | 111.4 | I63 D65 H69 F84 F92 | I63-L71 HydrophobicContact CB-CB 4.5Å; I63-L71 HydrophobicContact CG2-CB 4.23Å; I63-L71 HydrophobicContact CG2-CD1 4.29Å; I63-L71 PolarHBondContact O-N 2.81Å; D65-L71 HydrophobicContact CB-CD1 4.29Å; D65-L71 HydrophobicContact CB-CG 4.42Å; H69-L71 PolarHBondContact O-N 3.23Å; L71-F84 HydrophobicContact CD1-CD2 3.78Å; L71-F84 HydrophobicContact CD1-CE2 3.83Å; L71-F84 HydrophobicContact CD1-CG 4.37Å; L71-F84 HydrophobicContact CD1-CZ 4.45Å; L71-F92 HydrophobicContact CD1-CB 4.27Å |
| 72 | Y | 94.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 68.6 Ų | 68.6 | 26% | 0.263 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 142.4 | 178.2 | -177.5 | -103.1 | 0 | 0 | 0 | 110.2 | L61 I63 K74 F82 | L61-Y72 HydrophobicContact CD2-CD1 4.23Å; L61-Y72 HydrophobicContact CD2-CE1 3.89Å; L61-Y72 HydrophobicContact CG-CD1 4.45Å; L61-Y72 HydrophobicContact CG-CE1 4.44Å; I63-Y72 HydrophobicContact CD1-CD1 4.08Å; I63-Y72 HydrophobicContact CD1-CG 4.41Å; I63-Y72 HydrophobicContact CG1-CD1 4.31Å; I63-Y72 PolarHBondContact N-O 3.45Å; I63-Y72 PolarHBondContact O-N 3.32Å; Y72-K74 HydrophobicContact CE1-CB 3.84Å; Y72-F82 HydrophobicContact CD1-CB 3.93Å; Y72-F82 HydrophobicContact CD1-CG 4.48Å; Y72-F82 HydrophobicContact CD2-CB 4.24Å; Y72-F82 HydrophobicContact CE1-CB 3.93Å; Y72-F82 HydrophobicContact CE2-CB 4.25Å; Y72-F82 HydrophobicContact CG-CB 4.09Å |
| 73 | S | 95.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 51% | 0.51 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 134.8 | 173.2 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | L61 | L61-S73 WeakPolarHBondContact O-CA 3.46Å |
| 74 | K | 95.1 | Very high | 92.3 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 118.1 | 178.1 | -174.7 | 67.5 | 176 | -178 | 0 | 109.8 | L61 Y72 A77 | L61-K74 HydrophobicContact CB-CB 4.38Å; L61-K74 PolarHBondContact N-O 2.95Å; L61-K74 PolarHBondContact O-N 3.13Å; Y72-K74 HydrophobicContact CE1-CB 3.84Å; K74-A77 HydrophobicContact CB-CB 4.45Å; K74-A77 HydrophobicContact CG-CB 4.09Å |
| 75 | E | 93.3 | Very high | 92.2 | Very high | 154 Ų | 154 | 70.9 Ų | 70.9 | 72% | 0.72 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 148.7 | 169.6 | -60.2 | -173.7 | 173.6 | 0 | 0 | 110.5 | N60 A77 | N60-E75 WeakPolarHBondContact OD1-CA 3.27Å; E75-A77 VanDerWaalsContact C-N 3.27Å; E75-A77 PolarHBondContact O-N 3.39Å |
| 76 | D | 91.7 | Very high | 92 | Very high | 76 Ų | 76 | 70 Ų | 70 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 48.9 | -178.9 | -66.4 | -27.5 | 0 | 0 | 0 | 112.4 | K58 T59 N60 T78 | K58-D76 VanDerWaalsContact CB-OD1 3.28Å; K58-D76 WeakPolarHBondContact CB-OD1 3.42Å; K58-D76 WeakPolarHBondContact CD-OD1 3.29Å; K58-D76 WeakPolarHBondContact CG-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-CG 3.32Å; K58-D76 IonicContact NZ-OD1 3.44Å; K58-D76 PolarHBondContact NZ-OD1 3.37Å; K58-D76 VanDerWaalsContact NZ-OD1 3.16Å; K58-D76 IonicContact NZ-OD2 2.65Å; K58-D76 PolarHBondContact NZ-OD2 2.9Å; T59-D76 CarbonylContact O-C 3.52Å; T59-D76 WeakPolarHBondContact O-CA 3.29Å; T59-D76 PolarHBondContact O-N 2.69Å; N60-D76 PolarHBondContact OD1-N 3.26Å; D76-T78 PolarHBondContact O-N 3.03Å |
| 77 | A | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.033 | 40% | 0.4 | C | S | . | . | trans | -68.8 | 126.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y49 I51 T59 L61 K74 E75 | Y49-A77 HydrophobicContact CE2-CB 3.77Å; I51-A77 HydrophobicContact CD1-CB 4.23Å; I51-A77 WeakPolarHBondContact CD1-O 3.49Å; T59-A77 PolarHBondContact O-N 2.83Å; L61-A77 HydrophobicContact CB-CB 4.01Å; K74-A77 HydrophobicContact CB-CB 4.45Å; K74-A77 HydrophobicContact CG-CB 4.09Å; E75-A77 VanDerWaalsContact C-N 3.27Å; E75-A77 PolarHBondContact O-N 3.39Å | ||
| 78 | T | 92.5 | Very high | 91.6 | Very high | 67 Ų | 67 | 73.1 Ų | 73.1 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -117.3 | -67.2 | 173.2 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | I51 E53 D76 | I51-T78 WeakPolarHBondContact CB-O 3.37Å; I51-T78 PolarHBondContact N-O 2.94Å; E53-T78 HydrophobicContact CG-CG2 4.47Å; D76-T78 PolarHBondContact O-N 3.03Å |
| 79 | K | 94.7 | Very high | 91.2 | Very high | 114 Ų | 114 | 74 Ų | 74 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.3 | 174.2 | -175.1 | 173.8 | -171 | 151.8 | 0 | 110.2 | Y49 E50 | Y49-K79 WeakPolarHBondContact O-CA 3.28Å; E50-K79 HydrophobicContact CB-CG 4.46Å; E50-K79 HydrophobicContact CG-CD 4.35Å; E50-K79 HydrophobicContact CG-CG 4.46Å; E50-K79 IonicContact OE1-NZ 3.57Å; E50-K79 PolarHBondContact OE1-NZ 2.96Å; E50-K79 IonicContact OE2-NZ 3.16Å |
| 80 | G | 93.8 | Very high | 90.6 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 174.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E48 Y49 | E48-G80 WeakPolarHBondContact CA-O 3.41Å; Y49-G80 VanDerWaalsContact CD1-O 3.32Å; Y49-G80 WeakPolarHBondContact CD1-O 3.22Å; Y49-G80 PolarHBondContact N-O 3.44Å; Y49-G80 PolarHBondContact O-N 2.65Å |
| 81 | K | 94.2 | Very high | 90.5 | Very high | 142 Ų | 142 | 70.4 Ų | 70.4 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 148.4 | 172.4 | -59 | -177.6 | -167.4 | -116.8 | 0 | 109.3 | G47 E48 | G47-K81 CarbonylContact O-C 3.51Å; G47-K81 VanDerWaalsContact O-CA 3.22Å; G47-K81 WeakPolarHBondContact O-CA 3.14Å; E48-K81 HydrophobicContact CB-CG 4.1Å; E48-K81 VanDerWaalsContact CD-NZ 3.3Å; E48-K81 HydrophobicContact CG-CG 3.98Å; E48-K81 WeakPolarHBondContact OE1-CE 3.13Å; E48-K81 IonicContact OE1-NZ 2.68Å; E48-K81 PolarHBondContact OE1-NZ 2.91Å; E48-K81 WeakPolarHBondContact OE2-CE 3.45Å; E48-K81 IonicContact OE2-NZ 3.02Å; E48-K81 PolarHBondContact OE2-NZ 2.94Å |
| 82 | F | 93.6 | Very high | 90.5 | Very high | 11 Ų | 11 | 68.1 Ų | 68.1 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155 | 172 | 60.2 | -97.3 | 0 | 0 | 0 | 109.8 | T46 G47 Y49 L61 I63 Y72 F84 L114 M116 | T46-F82 WeakPolarHBondContact CA-O 3.49Å; G47-F82 PolarHBondContact N-O 2.8Å; G47-F82 PolarHBondContact O-N 2.86Å; Y49-F82 AromaticContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CD1 3.91Å; Y49-F82 HydrophobicContact CD1-CE1 4.14Å; Y49-F82 HydrophobicContact CE1-CD1 4.25Å; L61-F82 HydrophobicContact CD2-CD1 4.28Å; I63-F82 HydrophobicContact CD1-CB 4.47Å; I63-F82 HydrophobicContact CD1-CD1 4.01Å; I63-F82 HydrophobicContact CD1-CD2 3.45Å; I63-F82 VanDerWaalsContact CD1-CD2 3.45Å; I63-F82 HydrophobicContact CD1-CE1 4.05Å; I63-F82 HydrophobicContact CD1-CE2 3.51Å; I63-F82 HydrophobicContact CD1-CG 3.71Å; I63-F82 HydrophobicContact CD1-CZ 3.8Å; Y72-F82 HydrophobicContact CD1-CB 3.93Å; Y72-F82 HydrophobicContact CD1-CG 4.48Å; Y72-F82 HydrophobicContact CD2-CB 4.24Å; Y72-F82 HydrophobicContact CE1-CB 3.93Å; Y72-F82 HydrophobicContact CE2-CB 4.25Å; Y72-F82 HydrophobicContact CG-CB 4.09Å; F82-F84 HydrophobicContact CD2-CD1 4.05Å; F82-F84 AromaticContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CE2-CD1 4.4Å; F82-F84 AromaticContact CE2-CE1 3.88Å; F82-F84 HydrophobicContact CE2-CE1 3.88Å; F82-L114 HydrophobicContact CE1-CD1 4.04Å; F82-L114 HydrophobicContact CZ-CD1 4.12Å; F82-M116 HydrophobicContact CZ-SD 4.43Å |
| 83 | A | 93.3 | Very high | 90.5 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V45 T46 | V45-A83 VanDerWaalsContact O-CA 3.29Å; V45-A83 WeakPolarHBondContact O-CA 3.4Å; T46-A83 HydrophobicContact CG2-CB 3.9Å |
| 84 | F | 92.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 64.1 Ų | 64.1 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161.4 | 173.1 | 63 | -90 | 0 | 0 | 0 | 109.5 | V45 I63 L71 F82 T86 F92 | V45-F84 HydrophobicContact CB-CD1 4.48Å; V45-F84 HydrophobicContact CB-CD2 4.32Å; V45-F84 HydrophobicContact CB-CE1 4.03Å; V45-F84 HydrophobicContact CB-CE2 3.87Å; V45-F84 HydrophobicContact CB-CZ 3.7Å; V45-F84 HydrophobicContact CG1-CE1 3.89Å; V45-F84 HydrophobicContact CG1-CE2 4.35Å; V45-F84 HydrophobicContact CG1-CZ 3.69Å; V45-F84 HydrophobicContact CG2-CE2 4.02Å; V45-F84 HydrophobicContact CG2-CZ 4.16Å; V45-F84 PolarHBondContact N-O 2.93Å; V45-F84 PolarHBondContact O-N 2.86Å; V45-F84 VanDerWaalsContact O-O 3.13Å; I63-F84 HydrophobicContact CD1-CD1 4.43Å; I63-F84 HydrophobicContact CD1-CE1 4.05Å; I63-F84 HydrophobicContact CG2-CE1 3.92Å; I63-F84 HydrophobicContact CG2-CZ 4.15Å; L71-F84 HydrophobicContact CD1-CD2 3.78Å; L71-F84 HydrophobicContact CD1-CE2 3.83Å; L71-F84 HydrophobicContact CD1-CG 4.37Å; L71-F84 HydrophobicContact CD1-CZ 4.45Å; F82-F84 HydrophobicContact CD2-CD1 4.05Å; F82-F84 AromaticContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CD2-CE1 3.99Å; F82-F84 HydrophobicContact CE2-CD1 4.4Å; F82-F84 AromaticContact CE2-CE1 3.88Å; F82-F84 HydrophobicContact CE2-CE1 3.88Å; F84-T86 HydrophobicContact CE2-CG2 4.3Å; F84-F92 AromaticContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CE1 4.09Å; F84-F92 HydrophobicContact CE2-CG 4.09Å; F84-F92 AromaticContact CZ-CD1 3.87Å; F84-F92 HydrophobicContact CZ-CD1 3.87Å; F84-F92 AromaticContact CZ-CD2 3.81Å; F84-F92 HydrophobicContact CZ-CD2 3.81Å; F84-F92 AromaticContact CZ-CE1 3.87Å; F84-F92 HydrophobicContact CZ-CE1 3.87Å; F84-F92 AromaticContact CZ-CE2 3.88Å; F84-F92 HydrophobicContact CZ-CE2 3.88Å; F84-F92 AromaticContact CZ-CG 3.82Å; F84-F92 HydrophobicContact CZ-CG 3.82Å; F84-F92 AromaticContact CZ-CZ 3.91Å; F84-F92 HydrophobicContact CZ-CZ 3.91Å |
| 85 | T | 90.8 | Very high | 90.5 | Very high | 78 Ų | 78 | 59.9 Ų | 59.9 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.6 | 175 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | V43 | V43-T85 WeakPolarHBondContact O-CA 3.32Å |
| 86 | T | 88.3 | Confident | 90.6 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | trans | -72.6 | 126.3 | 177.7 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | I39 H40 D42 V43 V45 F84 F92 | I39-T86 HydrophobicContact CB-CG2 4.27Å; I39-T86 HydrophobicContact CG2-CG2 3.88Å; H40-T86 PolarHBondContact O-OG1 3.06Å; D42-T86 VanDerWaalsContact CA-O 3.29Å; D42-T86 WeakPolarHBondContact CA-O 3.47Å; D42-T86 PolarHBondContact N-O 2.94Å; D42-T86 PolarHBondContact N-OG1 2.79Å; V43-T86 PolarHBondContact N-OG1 2.53Å; V43-T86 PolarHBondContact O-N 2.89Å; V43-T86 PolarHBondContact O-OG1 2.82Å; V45-T86 HydrophobicContact CG2-CG2 4.4Å; F84-T86 HydrophobicContact CE2-CG2 4.3Å; T86-F92 HydrophobicContact CG2-CD1 4.42Å | ||
| 87 | E | 84.9 | Confident | 90.8 | Very high | 133 Ų | 133 | 52.5 Ų | 52.5 | 62% | 0.621 | 27% | 0.271 | S | S | * | . | trans | -83 | -38.7 | 179.7 | -70.7 | -176.3 | -169.1 | 0 | 0 | 112.2 | K41 | K41-E87 VanDerWaalsContact CG-O 3.27Å; K41-E87 WeakPolarHBondContact CG-O 3.47Å; K41-E87 PolarHBondContact NZ-O 3.47Å | ||
| 88 | D | 82.1 | Confident | 90.7 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -127.3 | 168.1 | -179.7 | -76.3 | -41.3 | 0 | 0 | 0 | 111.1 | K41 D90 | K41-D88 IonicContact NZ-OD1 2.81Å; K41-D88 PolarHBondContact NZ-OD1 2.86Å; D88-D90 PolarHBondContact O-N 3.12Å |
| 89 | Y | 77.1 | Confident | 90.6 | Very high | 111 Ų | 111 | 53.7 Ų | 53.7 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -75.6 | 81.4 | 176.6 | -146.1 | -69.7 | 0 | 0 | 0 | 108.7 | H40 K41 Y157 | H40-Y89 HydrophobicContact CB-CD2 4.23Å; H40-Y89 HydrophobicContact CB-CE2 3.69Å; H40-Y89 AromaticContact CD2-CE2 3.42Å; H40-Y89 VanDerWaalsContact CD2-CE2 3.42Å; H40-Y89 WeakPolarHBondContact CD2-CE2 3.34Å; H40-Y89 AromaticContact CD2-CZ 3.38Å; H40-Y89 PolarHBondContact CD2-OH 3.14Å; H40-Y89 PolarHBondContact CE1-OH 3.24Å; H40-Y89 VanDerWaalsContact CE1-OH 3.32Å; H40-Y89 AromaticContact CG-CE2 3.58Å; H40-Y89 AromaticContact CG-CZ 3.49Å; H40-Y89 VanDerWaalsContact CG-CZ 3.49Å; H40-Y89 AromaticContact ND1-CZ 3.96Å; H40-Y89 AromaticContact NE2-CZ 3.8Å; H40-Y89 PolarHBondContact NE2-OH 2.96Å; K41-Y89 HydrophobicContact CB-CD2 4.21Å; Y89-Y157 WeakPolarHBondContact OH-CE2 3.45Å; Y89-Y157 VanDerWaalsContact OH-CZ 3.24Å |
| 90 | D | 78.8 | Confident | 90.1 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 165.3 | -165.4 | -150.4 | -2.6 | 0 | 0 | 0 | 113.1 | I39 D65 S66 D88 | I39-D90 PolarHBondContact N-O 2.81Å; D65-D90 WeakPolarHBondContact OD1-CB 3.27Å; S66-D90 VanDerWaalsContact CB-CG 3.42Å; S66-D90 WeakPolarHBondContact CB-OD1 3.48Å; S66-D90 VanDerWaalsContact CB-OD2 3.27Å; S66-D90 WeakPolarHBondContact CB-OD2 3.34Å; S66-D90 PolarHBondContact OG-OD1 2.9Å; S66-D90 PolarHBondContact OG-OD2 2.85Å; D88-D90 PolarHBondContact O-N 3.12Å |
| 91 | M | 89.3 | Confident | 89.2 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125 | 176.3 | -71.4 | -179.2 | -74.7 | 0 | 0 | 110.5 | R36 E37 E38 D65 S66 | R36-M91 HydrophobicContact CG-CB 4.2Å; R36-M91 HydrophobicContact CG-SD 4.32Å; E37-M91 VanDerWaalsContact O-CA 3.28Å; E37-M91 WeakPolarHBondContact O-CA 3.5Å; E38-M91 HydrophobicContact CB-CG 4.34Å; E38-M91 HydrophobicContact CG-CG 3.41Å; E38-M91 VanDerWaalsContact CG-CG 3.41Å; E38-M91 HydrophobicContact CG-SD 3.92Å; D65-M91 CarbonylContact C-O 3.53Å; S66-M91 PolarHBondContact N-O 2.76Å |
| 92 | F | 92.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 155.6 | 163.1 | 69.7 | -97.4 | 0 | 0 | 0 | 111.4 | R36 E37 I39 V45 I63 T64 L71 F84 T86 V94 M116 | R36-F92 WeakPolarHBondContact CA-O 3.38Å; E37-F92 HydrophobicContact CB-CZ 4.23Å; E37-F92 PolarHBondContact N-O 2.79Å; E37-F92 PolarHBondContact O-N 3.31Å; I39-F92 HydrophobicContact CB-CE1 4.08Å; I39-F92 HydrophobicContact CG1-CD1 4.36Å; I39-F92 HydrophobicContact CG1-CE1 3.52Å; I39-F92 HydrophobicContact CG1-CZ 4.22Å; V45-F92 HydrophobicContact CG1-CE1 4.41Å; V45-F92 HydrophobicContact CG1-CZ 3.98Å; V45-F92 HydrophobicContact CG2-CE1 3.99Å; V45-F92 HydrophobicContact CG2-CZ 4.35Å; I63-F92 HydrophobicContact CG2-CD2 4.38Å; T64-F92 CarbonylContact O-C 3.6Å; T64-F92 VanDerWaalsContact O-CA 3.29Å; T64-F92 WeakPolarHBondContact O-CA 3.41Å; L71-F92 HydrophobicContact CD1-CB 4.27Å; F84-F92 AromaticContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CD1 3.87Å; F84-F92 HydrophobicContact CE2-CE1 4.09Å; F84-F92 HydrophobicContact CE2-CG 4.09Å; F84-F92 AromaticContact CZ-CD1 3.87Å; F84-F92 HydrophobicContact CZ-CD1 3.87Å; F84-F92 AromaticContact CZ-CD2 3.81Å; F84-F92 HydrophobicContact CZ-CD2 3.81Å; F84-F92 AromaticContact CZ-CE1 3.87Å; F84-F92 HydrophobicContact CZ-CE1 3.87Å; F84-F92 AromaticContact CZ-CE2 3.88Å; F84-F92 HydrophobicContact CZ-CE2 3.88Å; F84-F92 AromaticContact CZ-CG 3.82Å; F84-F92 HydrophobicContact CZ-CG 3.82Å; F84-F92 AromaticContact CZ-CZ 3.91Å; F84-F92 HydrophobicContact CZ-CZ 3.91Å; T86-F92 HydrophobicContact CG2-CD1 4.42Å; F92-V94 HydrophobicContact CD2-CG2 3.86Å; F92-V94 HydrophobicContact CE2-CG2 3.74Å; F92-M116 HydrophobicContact CE2-CE 3.86Å; F92-M116 HydrophobicContact CE2-SD 3.78Å; F92-M116 HydrophobicContact CZ-CE 3.71Å; F92-M116 HydrophobicContact CZ-SD 3.89Å |
| 93 | E | 94.3 | Very high | 86.3 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.5 | 178 | -172.4 | -179.5 | -149 | 0 | 0 | 109.7 | R32 C34 L35 R36 I63 T64 | R32-E93 IonicContact NH2-OE2 3.77Å; C34-E93 VanDerWaalsContact CB-CD 3.44Å; C34-E93 HydrophobicContact CB-CG 3.5Å; C34-E93 WeakPolarHBondContact CB-OE1 3.44Å; C34-E93 PolarHBondContact SG-OE1 2.92Å; C34-E93 VanDerWaalsContact SG-OE1 3.4Å; L35-E93 CarbonylContact O-C 3.45Å; L35-E93 VanDerWaalsContact O-CA 3.3Å; L35-E93 WeakPolarHBondContact O-CA 3.44Å; R36-E93 HydrophobicContact CB-CB 4.46Å; R36-E93 HydrophobicContact CB-CG 4.34Å; R36-E93 HydrophobicContact CG-CB 4.46Å; I63-E93 WeakPolarHBondContact CA-O 3.45Å; T64-E93 PolarHBondContact N-O 3.33Å; T64-E93 PolarHBondContact O-N 2.76Å |
| 94 | V | 95.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 106.7 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | C34 L35 L61 I63 F92 F96 L114 M116 | C34-V94 CarbonylContact C-O 3.53Å; C34-V94 VanDerWaalsContact CA-O 3.23Å; C34-V94 WeakPolarHBondContact CA-O 3.44Å; L35-V94 PolarHBondContact N-O 3.33Å; L35-V94 PolarHBondContact O-N 3.35Å; L61-V94 HydrophobicContact CD1-CG1 3.71Å; I63-V94 HydrophobicContact CD1-CG1 4.43Å; I63-V94 HydrophobicContact CD1-CG2 4.21Å; I63-V94 HydrophobicContact CG1-CG1 4.19Å; I63-V94 HydrophobicContact CG1-CG2 4.18Å; I63-V94 HydrophobicContact CG2-CG2 4.18Å; F92-V94 HydrophobicContact CD2-CG2 3.86Å; F92-V94 HydrophobicContact CE2-CG2 3.74Å; V94-F96 HydrophobicContact CG1-CE2 3.81Å; V94-F96 HydrophobicContact CG1-CZ 4.31Å; V94-L114 HydrophobicContact CG1-CD2 4.35Å; V94-M116 HydrophobicContact CG2-SD 4.31Å |
| 95 | C | 95.6 | Very high | 83.4 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.5 | -177.6 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | R32 K33 C34 L61 K62 | R32-C95 HydrophobicContact CG-CB 4.31Å; K33-C95 CarbonylContact O-C 3.56Å; K33-C95 WeakPolarHBondContact O-CA 3.46Å; C34-C95 HydrophobicContact CB-CB 4.09Å; C34-C95 WeakPolarHBondContact CB-SG 3.36Å; C34-C95 WeakPolarHBondContact SG-CB 3.24Å; C34-C95 CovalentContact SG-SG 2.04Å; C34-C95 PolarHBondContact SG-SG 3.39Å; L61-C95 WeakPolarHBondContact CA-O 3.31Å; L61-C95 WeakPolarHBondContact CD1-O 3.43Å; K62-C95 PolarHBondContact N-O 3.46Å; K62-C95 PolarHBondContact O-N 3.45Å |
| 96 | F | 95.9 | Very high | 82.3 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124 | 167.4 | -62.2 | -96.7 | 0 | 0 | 0 | 109.2 | F25 L27 R32 K33 Y49 I51 T59 N60 L61 V94 V112 L114 | F25-F96 AromaticContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CD2 3.7Å; F25-F96 HydrophobicContact CZ-CE2 4.11Å; F25-F96 HydrophobicContact CZ-CG 4.33Å; L27-F96 HydrophobicContact CD2-CB 3.87Å; R32-F96 VanDerWaalsContact CA-O 3.31Å; R32-F96 WeakPolarHBondContact CA-O 3.05Å; K33-F96 PolarHBondContact N-O 3.46Å; K33-F96 PolarHBondContact O-N 2.75Å; Y49-F96 HydrophobicContact CD2-CE1 4.37Å; Y49-F96 HydrophobicContact CG-CE1 4.31Å; I51-F96 HydrophobicContact CD1-CD1 3.78Å; I51-F96 HydrophobicContact CD1-CE1 3.93Å; I51-F96 HydrophobicContact CG1-CE1 4.43Å; T59-F96 HydrophobicContact CG2-CB 4.32Å; N60-F96 WeakPolarHBondContact O-CA 3.42Å; L61-F96 HydrophobicContact CB-CD1 4.5Å; L61-F96 HydrophobicContact CB-CE1 4.48Å; L61-F96 HydrophobicContact CD1-CD1 4.08Å; L61-F96 HydrophobicContact CD1-CD2 4.38Å; L61-F96 HydrophobicContact CD1-CE1 3.76Å; L61-F96 HydrophobicContact CD1-CE2 4.08Å; L61-F96 HydrophobicContact CD1-CG 4.39Å; L61-F96 HydrophobicContact CD1-CZ 3.76Å; L61-F96 HydrophobicContact CD2-CE1 4.38Å; L61-F96 HydrophobicContact CG-CE1 4.43Å; V94-F96 HydrophobicContact CG1-CE2 3.81Å; V94-F96 HydrophobicContact CG1-CZ 4.31Å; F96-V112 HydrophobicContact CD1-CG1 3.99Å; F96-V112 HydrophobicContact CD2-CG1 4.27Å; F96-V112 HydrophobicContact CE1-CG1 3.79Å; F96-V112 HydrophobicContact CE2-CG1 4.08Å; F96-V112 HydrophobicContact CG-CG1 4.21Å; F96-V112 HydrophobicContact CZ-CG1 3.84Å; F96-L114 HydrophobicContact CE2-CD2 4.25Å; F96-L114 HydrophobicContact CZ-CD1 4.34Å |
| 97 | E | 94.4 | Very high | 81.5 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.3 | 179.4 | -172.7 | -171 | -168.4 | 0 | 0 | 109.5 | R32 T59 N60 K99 | R32-E97 HydrophobicContact CB-CG 4.44Å; R32-E97 HydrophobicContact CG-CB 4.24Å; T59-E97 CarbonylContact C-O 3.51Å; T59-E97 WeakPolarHBondContact CA-O 3.41Å; N60-E97 PolarHBondContact N-O 3.02Å; N60-E97 PolarHBondContact O-N 3.25Å; E97-K99 WeakPolarHBondContact OE1-CE 3.3Å; E97-K99 IonicContact OE1-NZ 2.75Å; E97-K99 VanDerWaalsContact OE2-CE 3.24Å; E97-K99 WeakPolarHBondContact OE2-CE 3.46Å; E97-K99 IonicContact OE2-NZ 2.69Å; E97-K99 PolarHBondContact OE2-NZ 3.3Å |
| 98 | S | 91.8 | Very high | 81.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.2 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | N30 S31 Q110 | N30-S98 WeakPolarHBondContact CA-O 3.4Å; N30-S98 PolarHBondContact N-O 2.89Å; S31-S98 PolarHBondContact O-N 2.7Å; S98-Q110 PolarHBondContact OG-OE1 3.38Å |
| 99 | K | 89.3 | Confident | 81.6 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.4 | 174.9 | -65.8 | -175.5 | -177.1 | 173.3 | 0 | 109.6 | K58 E97 | K58-K99 PolarHBondContact N-O 3.32Å; K58-K99 PolarHBondContact O-N 2.95Å; E97-K99 WeakPolarHBondContact OE1-CE 3.3Å; E97-K99 IonicContact OE1-NZ 2.75Å; E97-K99 VanDerWaalsContact OE2-CE 3.24Å; E97-K99 WeakPolarHBondContact OE2-CE 3.46Å; E97-K99 IonicContact OE2-NZ 2.69Å; E97-K99 PolarHBondContact OE2-NZ 3.3Å |
| 100 | S | 84 | Confident | 82.2 | Confident | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | trans | -129.3 | 133.8 | 173.5 | -175 | 0 | 0 | 0 | 0 | 111.7 | N30 N56 M102 | N30-S100 PolarHBondContact OD1-N 3.19Å; N56-S100 WeakPolarHBondContact O-CB 3.43Å; N56-S100 PolarHBondContact O-OG 3.45Å; S100-M102 PolarHBondContact O-N 3.13Å | ||
| 101 | P | 75.5 | Confident | 82.9 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 76% | 0.76 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.5 | 177.9 | 26.8 | -33.1 | 0 | 0 | 0 | 113.9 | N56 G103 | N56-P101 WeakPolarHBondContact O-CD 3.31Å; P101-G103 PolarHBondContact O-N 3Å |
| 102 | M | 64.9 | Low | 83.1 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | 15.5 | -174.9 | -72.8 | -149.2 | 76 | 0 | 0 | 115.8 | S100 | S100-M102 PolarHBondContact O-N 3.13Š|
| 103 | G | 62.3 | Low | 83.2 | Confident | 35 Ų | 35 | 62 Ų | 62 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -154.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | P101 G105 | P101-G103 PolarHBondContact O-N 3Å; G103-G105 PolarHBondContact O-N 2.88Å; G103-G105 VanDerWaalsContact O-N 3.11Å |
| 104 | T | 60.4 | Low | 83.2 | Confident | 148 Ų | 148 | 59.4 Ų | 59.4 | 91% | 0.908 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 32.8 | 179.4 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 105 | G | 63.6 | Low | 83.1 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -59.7 | 168 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G103 V107 | G103-G105 PolarHBondContact O-N 2.88Å; G103-G105 VanDerWaalsContact O-N 3.11Å; G105-V107 PolarHBondContact O-N 3.33Å |
| 106 | R | 66.9 | Low | 82.9 | Confident | 263 Ų | 263 | 63 Ų | 63 | 99% | 0.992 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -66.1 | 66.5 | 175.5 | -78.4 | -178.6 | 166.8 | 143.1 | -4.1 | 111.8 | ||
| 107 | V | 72.3 | Confident | 82.7 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 22% | 0.218 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 128.1 | 169.3 | -171.9 | 0 | 0 | 0 | 0 | 106.6 | V29 T57 G105 | V29-V107 HydrophobicContact CG2-CB 3.62Å; V29-V107 HydrophobicContact CG2-CG1 3.54Å; T57-V107 HydrophobicContact CG2-CG1 3.59Å; G105-V107 PolarHBondContact O-N 3.33Å |
| 108 | P | 81.8 | Confident | 82.5 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 158.6 | 176.8 | 24.8 | -30.8 | 0 | 0 | 0 | 111.2 | Q54 | Q54-P108 HydrophobicContact CG-CG 4.35Å; Q54-P108 PolarHBondContact OE1-O 3.5Å |
| 109 | D | 86.9 | Confident | 82.3 | Confident | 77 Ų | 77 | 67.8 Ų | 67.8 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 140 | 175.3 | -66.3 | -15.5 | 0 | 0 | 0 | 110.4 | F26 P28 Q54 | F26-D109 HydrophobicContact CB-CB 4.1Å; F26-D109 HydrophobicContact CD1-CB 4.26Å; P28-D109 WeakPolarHBondContact CA-OD1 3.49Å; Q54-D109 PolarHBondContact NE2-O 3Å |
| 110 | Q | 90.6 | Very high | 82.2 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 2% | 0.023 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 133.9 | 175.3 | -67.3 | -179.6 | -74.9 | 0 | 0 | 109.8 | F26 L27 I51 S52 Q54 T57 T59 S98 | F26-Q110 CarbonylContact C-O 3.53Å; F26-Q110 WeakPolarHBondContact CA-O 3.29Å; L27-Q110 HydrophobicContact CB-CB 4.49Å; L27-Q110 PolarHBondContact N-O 3.25Å; L27-Q110 PolarHBondContact O-N 3.18Å; I51-Q110 HydrophobicContact CG2-CB 4.4Å; S52-Q110 PolarHBondContact O-NE2 3.33Å; Q54-Q110 HydrophobicContact CB-CG 4.31Å; Q54-Q110 HydrophobicContact CG-CG 4.33Å; T57-Q110 PolarHBondContact OG1-NE2 3Å; T59-Q110 PolarHBondContact OG1-NE2 3.46Å; T59-Q110 PolarHBondContact OG1-OE1 2.91Å; S98-Q110 PolarHBondContact OG-OE1 3.38Å |
| 111 | L | 92.8 | Very high | 82.2 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 124.9 | 169.7 | -174.7 | 66.8 | 0 | 0 | 0 | 109.3 | F26 S52 | F26-L111 HydrophobicContact CD1-CD1 4.1Å; F26-L111 HydrophobicContact CE1-CB 4.39Å; F26-L111 HydrophobicContact CE1-CD1 3.88Å; F26-L111 HydrophobicContact CE2-CD1 4.41Å; F26-L111 HydrophobicContact CG-CD1 4.46Å; F26-L111 HydrophobicContact CZ-CD1 4.04Å; S52-L111 PolarHBondContact N-O 3.16Å |
| 112 | V | 94.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.9 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | S24 F25 L27 I51 F96 | S24-V112 WeakPolarHBondContact CA-O 3.46Å; F25-V112 HydrophobicContact CD2-CB 4.31Å; F25-V112 HydrophobicContact CE1-CB 4.16Å; F25-V112 HydrophobicContact CE1-CG1 3.97Å; F25-V112 HydrophobicContact CE2-CB 3.88Å; F25-V112 HydrophobicContact CE2-CG1 4.27Å; F25-V112 HydrophobicContact CE2-CG2 4.1Å; F25-V112 HydrophobicContact CZ-CB 3.8Å; F25-V112 HydrophobicContact CZ-CG1 3.69Å; F25-V112 HydrophobicContact CZ-CG2 4.34Å; F25-V112 PolarHBondContact N-O 3.28Å; F25-V112 PolarHBondContact O-N 3.29Å; L27-V112 HydrophobicContact CB-CG2 3.94Å; L27-V112 HydrophobicContact CD2-CG2 4.13Å; I51-V112 HydrophobicContact CG1-CG1 4.27Å; I51-V112 HydrophobicContact CG1-CG2 4.21Å; I51-V112 HydrophobicContact CG2-CG2 4.23Å; F96-V112 HydrophobicContact CD1-CG1 3.99Å; F96-V112 HydrophobicContact CD2-CG1 4.27Å; F96-V112 HydrophobicContact CE1-CG1 3.79Å; F96-V112 HydrophobicContact CE2-CG1 4.08Å; F96-V112 HydrophobicContact CG-CG1 4.21Å; F96-V112 HydrophobicContact CZ-CG1 3.84Å |
| 113 | N | 94.7 | Very high | 83.6 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.6 | 168.4 | -63 | -32 | 0 | 0 | 0 | 108.4 | S24 Y49 E50 | S24-N113 VanDerWaalsContact CB-OD1 3.25Å; S24-N113 WeakPolarHBondContact CB-OD1 3.42Å; Y49-N113 CarbonylContact C-O 3.56Å; Y49-N113 VanDerWaalsContact CA-O 3.27Å; Y49-N113 WeakPolarHBondContact CA-O 3.29Å; E50-N113 HydrophobicContact CB-CB 4.49Å; E50-N113 PolarHBondContact N-O 3.41Å; E50-N113 PolarHBondContact O-N 3.28Å |
| 114 | L | 94.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.3 | 177.3 | 175.8 | 66.4 | 0 | 0 | 0 | 108.5 | S22 I23 L35 F82 V94 F96 | S22-L114 PolarHBondContact OG-O 3.01Å; I23-L114 PolarHBondContact N-O 3.02Å; I23-L114 PolarHBondContact O-N 3.41Å; L35-L114 HydrophobicContact CD2-CD2 3.88Å; F82-L114 HydrophobicContact CE1-CD1 4.04Å; F82-L114 HydrophobicContact CZ-CD1 4.12Å; V94-L114 HydrophobicContact CG1-CD2 4.35Å; F96-L114 HydrophobicContact CE2-CD2 4.25Å; F96-L114 HydrophobicContact CZ-CD1 4.34Å |
| 115 | D | 92.9 | Very high | 85.9 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.9 | 167.8 | -174.5 | -6.6 | 0 | 0 | 0 | 107.6 | G47 E48 | G47-D115 CarbonylContact C-O 3.52Å; G47-D115 WeakPolarHBondContact CA-O 3.19Å; E48-D115 PolarHBondContact N-O 3.31Å; E48-D115 PolarHBondContact O-N 3.45Å |
| 116 | M | 91.3 | Very high | 86.9 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 16% | 0.163 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.2 | -177 | -163.1 | 169.4 | 68.2 | 0 | 0 | 109.8 | L35 E37 V45 T46 F82 F92 V94 | L35-M116 HydrophobicContact CD2-CE 4.23Å; E37-M116 WeakPolarHBondContact OE2-CE 3.49Å; V45-M116 HydrophobicContact CG1-CG 3.85Å; V45-M116 HydrophobicContact CG1-SD 3.91Å; T46-M116 WeakPolarHBondContact O-CA 3.48Å; F82-M116 HydrophobicContact CZ-SD 4.43Å; F92-M116 HydrophobicContact CE2-CE 3.86Å; F92-M116 HydrophobicContact CE2-SD 3.78Å; F92-M116 HydrophobicContact CZ-CE 3.71Å; F92-M116 HydrophobicContact CZ-SD 3.89Å; V94-M116 HydrophobicContact CG2-SD 4.31Å |
| 117 | K | 91.1 | Very high | 87.8 | Confident | 67 Ų | 67 | 55.1 Ų | 55.1 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.6 | -177 | -62.4 | 167.3 | -175.8 | -82.1 | 0 | 108.9 | V45 T46 E121 A122 | V45-K117 WeakPolarHBondContact CA-O 3.21Å; T46-K117 PolarHBondContact N-O 3.46Å; T46-K117 PolarHBondContact O-N 3.31Å; K117-E121 HydrophobicContact CB-CB 4.23Å; K117-E121 HydrophobicContact CB-CG 4.28Å; K117-E121 HydrophobicContact CD-CG 4.16Å; K117-E121 HydrophobicContact CG-CG 4.13Å; K117-E121 IonicContact NZ-OE1 3.91Å; K117-E121 PolarHBondContact NZ-OE1 2.82Å; K117-A122 HydrophobicContact CB-CB 4.35Å |
| 118 | H | 90.8 | Very high | 88.3 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.5 | -178.7 | 52.9 | 68.8 | 0 | 0 | 0 | 111.8 | V43 L44 V120 E121 | V43-H118 HydrophobicContact CG1-CB 4.2Å; L44-H118 CarbonylContact O-C 3.55Å; L44-H118 WeakPolarHBondContact O-CA 3.1Å; H118-V120 PolarHBondContact O-N 2.87Å; H118-E121 PolarHBondContact O-N 3.34Å |
| 119 | G | 87.7 | Confident | 88.4 | Confident | 16 Ų | 16 | 53 Ų | 53 | 17% | 0.165 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | 60.7 | -123.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L44 E121 A122 K123 | L44-G119 PolarHBondContact O-N 2.69Å; G119-E121 VanDerWaalsContact C-N 3.26Å; G119-E121 PolarHBondContact O-N 2.86Å; G119-A122 WeakPolarHBondContact O-CB 2.81Å; G119-A122 PolarHBondContact O-N 2.82Å; G119-A122 VanDerWaalsContact O-N 3.13Å; G119-K123 PolarHBondContact O-N 3.44Å |
| 120 | V | 86.4 | Confident | 88.4 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -61.9 | -33.9 | -175.6 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | H118 A122 K123 Y125 D146 L147 | H118-V120 PolarHBondContact O-N 2.87Å; V120-A122 VanDerWaalsContact C-N 3.33Å; V120-K123 PolarHBondContact O-N 2.91Å; V120-Y125 HydrophobicContact CG1-CE2 4.27Å; V120-Y125 WeakPolarHBondContact CG1-OH 3.29Å; V120-D146 HydrophobicContact CG1-CB 4.39Å; V120-D146 HydrophobicContact CG2-CB 4.27Å; V120-L147 HydrophobicContact CG1-CB 4.29Å |
| 121 | E | 83.9 | Confident | 88.2 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -74.9 | -24.5 | 178.9 | -157.5 | -170.6 | 156.1 | 0 | 0 | 112.8 | K117 H118 G119 K123 | K117-E121 HydrophobicContact CB-CB 4.23Å; K117-E121 HydrophobicContact CB-CG 4.28Å; K117-E121 HydrophobicContact CD-CG 4.16Å; K117-E121 HydrophobicContact CG-CG 4.13Å; K117-E121 IonicContact NZ-OE1 3.91Å; K117-E121 PolarHBondContact NZ-OE1 2.82Å; H118-E121 PolarHBondContact O-N 3.34Å; G119-E121 VanDerWaalsContact C-N 3.26Å; G119-E121 PolarHBondContact O-N 2.86Å; E121-K123 VanDerWaalsContact C-N 3.34Å |
| 122 | A | 85.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -78.1 | -18.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L44 T46 K117 G119 V120 | L44-A122 HydrophobicContact CB-CB 4.43Å; L44-A122 HydrophobicContact CD2-CB 4.15Å; L44-A122 HydrophobicContact CG-CB 4.04Å; L44-A122 WeakPolarHBondContact O-CB 2.98Å; T46-A122 HydrophobicContact CG2-CB 3.93Å; T46-A122 WeakPolarHBondContact OG1-CA 3.27Å; T46-A122 WeakPolarHBondContact OG1-CB 3.28Å; K117-A122 HydrophobicContact CB-CB 4.35Å; G119-A122 WeakPolarHBondContact O-CB 2.81Å; G119-A122 PolarHBondContact O-N 2.82Å; G119-A122 VanDerWaalsContact O-N 3.13Å; V120-A122 VanDerWaalsContact C-N 3.33Å |
| 123 | K | 85.3 | Confident | 87.5 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -77.5 | 130 | -177.5 | -68.3 | -174 | -172.8 | -178.1 | 0 | 111.9 | L44 G119 V120 E121 Y125 D146 | L44-K123 HydrophobicContact CD2-CG 4.35Å; G119-K123 PolarHBondContact O-N 3.44Å; V120-K123 PolarHBondContact O-N 2.91Å; E121-K123 VanDerWaalsContact C-N 3.34Å; K123-Y125 HydrophobicContact CB-CD2 4.34Å; K123-Y125 HydrophobicContact CB-CE2 3.87Å; K123-Y125 WeakPolarHBondContact O-CD2 3.36Å; K123-Y125 PolarHBondContact O-N 2.79Å; K123-D146 IonicContact NZ-OD2 3.54Å; K123-D146 PolarHBondContact NZ-OD2 3.46Å |
| 124 | N | 85.9 | Confident | 87 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | trans | -86.3 | 88.8 | 172.6 | -168.3 | -17.6 | 0 | 0 | 0 | 111.4 | E126 E127 I128 | N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 WeakPolarHBondContact OD1-CB 3.3Å; N124-E126 PolarHBondContact OD1-N 3.05Å; N124-E127 HydrophobicContact CB-CB 4.33Å; N124-E127 HydrophobicContact CB-CG 4.46Å; N124-E127 VanDerWaalsContact ND2-CD 3.32Å; N124-E127 WeakPolarHBondContact ND2-CG 2.89Å; N124-E127 PolarHBondContact ND2-OE1 2.92Å; N124-E127 PolarHBondContact O-N 3.24Å; N124-E127 PolarHBondContact OD1-N 2.81Å; N124-I128 WeakPolarHBondContact O-CG1 3.06Å; N124-I128 PolarHBondContact O-N 2.87Å | ||
| 125 | Y | 84.9 | Confident | 86.8 | Confident | 22 Ų | 22 | 79.8 Ų | 79.8 | 9% | 0.086 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.3 | -25.2 | 179 | -73.2 | -81.9 | 0 | 0 | 0 | 113.8 | V120 K123 A129 R143 D146 | V120-Y125 HydrophobicContact CG1-CE2 4.27Å; V120-Y125 WeakPolarHBondContact CG1-OH 3.29Å; K123-Y125 HydrophobicContact CB-CD2 4.34Å; K123-Y125 HydrophobicContact CB-CE2 3.87Å; K123-Y125 WeakPolarHBondContact O-CD2 3.36Å; K123-Y125 PolarHBondContact O-N 2.79Å; Y125-A129 VanDerWaalsContact O-CB 3.24Å; Y125-A129 WeakPolarHBondContact O-CB 3.07Å; Y125-A129 PolarHBondContact O-N 3.4Å; Y125-R143 HydrophobicContact CD1-CB 4.14Å; Y125-R143 HydrophobicContact CD2-CB 4.48Å; Y125-R143 HydrophobicContact CD2-CG 4.15Å; Y125-R143 HydrophobicContact CE1-CB 3.93Å; Y125-R143 HydrophobicContact CE1-CG 4.35Å; Y125-R143 HydrophobicContact CE2-CB 4.26Å; Y125-R143 HydrophobicContact CE2-CG 3.79Å; Y125-R143 HydrophobicContact CG-CB 4.43Å; Y125-D146 VanDerWaalsContact OH-CB 3.31Å; Y125-D146 WeakPolarHBondContact OH-CB 3.17Å; Y125-D146 PolarHBondContact OH-OD2 2.8Å |
| 126 | E | 85.1 | Confident | 86.5 | Confident | 139 Ų | 139 | 82.5 Ų | 82.5 | 65% | 0.65 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70.7 | -36.7 | 177.9 | -59.2 | -177.9 | 179.9 | 0 | 0 | 112.1 | N124 K130 | N124-E126 PolarHBondContact O-N 2.78Å; N124-E126 WeakPolarHBondContact OD1-CB 3.3Å; N124-E126 PolarHBondContact OD1-N 3.05Å; E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 2.9Å |
| 127 | E | 84.4 | Confident | 86.4 | Confident | 121 Ų | 121 | 86.6 Ų | 86.6 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.4 | -44.1 | 174.9 | -77.1 | 179 | -167.7 | 0 | 0 | 111.2 | N124 A129 K130 V131 | N124-E127 HydrophobicContact CB-CB 4.33Å; N124-E127 HydrophobicContact CB-CG 4.46Å; N124-E127 VanDerWaalsContact ND2-CD 3.32Å; N124-E127 WeakPolarHBondContact ND2-CG 2.89Å; N124-E127 PolarHBondContact ND2-OE1 2.92Å; N124-E127 PolarHBondContact O-N 3.24Å; N124-E127 PolarHBondContact OD1-N 2.81Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.04Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 VanDerWaalsContact O-N 3.12Å; E127-V131 WeakPolarHBondContact O-CG2 3.23Å; E127-V131 PolarHBondContact O-N 2.82Å |
| 128 | I | 83.6 | Confident | 86.2 | Confident | 56 Ų | 56 | 86.9 Ų | 86.9 | 29% | 0.287 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.6 | -61.9 | 168.1 | 0 | 0 | 0 | 110 | N124 K130 V131 E132 | N124-I128 WeakPolarHBondContact O-CG1 3.06Å; N124-I128 PolarHBondContact O-N 2.87Å; I128-K130 VanDerWaalsContact C-N 3.28Å; I128-K130 PolarHBondContact O-N 3.27Å; I128-V131 PolarHBondContact O-N 2.84Å; I128-E132 HydrophobicContact CG2-CG 4.42Å; I128-E132 WeakPolarHBondContact O-CB 3.31Å; I128-E132 PolarHBondContact O-N 3.19Å |
| 129 | A | 83.6 | Confident | 86.1 | Confident | 19 Ų | 19 | 83.6 Ų | 83.6 | 16% | 0.157 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.6 | -38.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y125 E127 K133 L134 V139 | Y125-A129 VanDerWaalsContact O-CB 3.24Å; Y125-A129 WeakPolarHBondContact O-CB 3.07Å; Y125-A129 PolarHBondContact O-N 3.4Å; E127-A129 VanDerWaalsContact C-N 3.3Å; E127-A129 PolarHBondContact O-N 2.04Å; A129-K133 CarbonylContact O-C 3.58Å; A129-K133 WeakPolarHBondContact O-CA 3.41Å; A129-K133 PolarHBondContact O-N 3.43Å; A129-L134 PolarHBondContact O-N 3.21Å; A129-L134 VanDerWaalsContact O-N 3.07Å; A129-V139 HydrophobicContact CB-CG1 4.42Å; A129-V139 HydrophobicContact CB-CG2 3.38Å |
| 130 | K | 86.6 | Confident | 86.1 | Confident | 153 Ų | 153 | 89 Ų | 89 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.8 | -41.1 | 178.2 | -73 | 167.4 | -173.6 | 166.7 | 0 | 112.1 | E126 E127 I128 | E126-K130 VanDerWaalsContact O-CG 3.31Å; E126-K130 WeakPolarHBondContact O-CG 3.41Å; E126-K130 PolarHBondContact O-N 2.9Å; E127-K130 PolarHBondContact O-N 3.28Å; E127-K130 VanDerWaalsContact O-N 3.12Å; I128-K130 VanDerWaalsContact C-N 3.28Å; I128-K130 PolarHBondContact O-N 3.27Å |
| 131 | V | 87.8 | Confident | 86.3 | Confident | 120 Ų | 120 | 92.9 Ų | 92.9 | 73% | 0.727 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.3 | -47.7 | -178.8 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | E127 I128 K133 | E127-V131 WeakPolarHBondContact O-CG2 3.23Å; E127-V131 PolarHBondContact O-N 2.82Å; I128-V131 PolarHBondContact O-N 2.84Å; V131-K133 VanDerWaalsContact C-N 3.32Å |
| 132 | E | 85.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 92.2 Ų | 92.2 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -85.7 | -5.3 | -178.2 | -66.2 | -173.9 | 177.2 | 0 | 0 | 113.3 | I128 L134 | I128-E132 HydrophobicContact CG2-CG 4.42Å; I128-E132 WeakPolarHBondContact O-CB 3.31Å; I128-E132 PolarHBondContact O-N 3.19Å; E132-L134 VanDerWaalsContact C-N 3.26Å; E132-L134 HydrophobicContact CB-CD1 4.2Å; E132-L134 HydrophobicContact CB-CD2 4.2Å; E132-L134 HydrophobicContact CB-CG 3.79Å; E132-L134 PolarHBondContact O-N 2.87Å |
| 133 | K | 86.1 | Confident | 86.8 | Confident | 184 Ų | 184 | 98.6 Ų | 98.6 | 80% | 0.8 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 41.5 | -178.2 | -57 | 178.6 | -178.1 | 175.4 | 0 | 112.7 | A129 V131 | A129-K133 CarbonylContact O-C 3.58Å; A129-K133 WeakPolarHBondContact O-CA 3.41Å; A129-K133 PolarHBondContact O-N 3.43Å; V131-K133 VanDerWaalsContact C-N 3.32Å |
| 134 | L | 84.4 | Confident | 87.1 | Confident | 47 Ų | 47 | 99.9 Ų | 99.9 | 25% | 0.246 | 48% | 0.484 | C | S | . | . | trans | -71.8 | 146.9 | 179.6 | -61.5 | 173.7 | 0 | 0 | 0 | 110.8 | A129 E132 E138 V139 | A129-L134 PolarHBondContact O-N 3.21Å; A129-L134 VanDerWaalsContact O-N 3.07Å; E132-L134 VanDerWaalsContact C-N 3.26Å; E132-L134 HydrophobicContact CB-CD1 4.2Å; E132-L134 HydrophobicContact CB-CD2 4.2Å; E132-L134 HydrophobicContact CB-CG 3.79Å; E132-L134 PolarHBondContact O-N 2.87Å; L134-E138 HydrophobicContact CB-CB 4.29Å; L134-E138 HydrophobicContact CD2-CB 4.48Å; L134-V139 HydrophobicContact CB-CG2 3.68Å; L134-V139 HydrophobicContact CD1-CG2 4.23Å | ||
| 135 | K | 88.9 | Confident | 87.3 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | trans | -70.3 | 153.6 | 169.3 | -63.5 | -175.8 | -158.6 | 106.5 | 0 | 110.1 | L137 E138 V139 | K135-L137 PolarHBondContact O-N 2.99Å; K135-L137 VanDerWaalsContact O-N 3.08Å; K135-E138 HydrophobicContact CB-CB 4.49Å; K135-E138 HydrophobicContact CB-CG 4.21Å; K135-E138 PolarHBondContact N-OE2 3.02Å; K135-E138 IonicContact NZ-OE1 2.84Å; K135-E138 PolarHBondContact NZ-OE1 2.95Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å; K135-E138 PolarHBondContact O-N 3.17Å; K135-V139 WeakPolarHBondContact O-CG2 3.23Å; K135-V139 PolarHBondContact O-N 3.47Å; K135-V139 VanDerWaalsContact O-N 3.13Å | ||
| 136 | P | 87.1 | Confident | 87.6 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -50.8 | -39.1 | 177.6 | -27.9 | 34.5 | 0 | 0 | 0 | 113.8 | V139 E140 | P136-V139 PolarHBondContact O-N 3.27Å; P136-E140 PolarHBondContact O-N 3.47Å |
| 137 | L | 89.1 | Confident | 87.9 | Confident | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.2 | -37.9 | 176.6 | -174.7 | 67.6 | 0 | 0 | 0 | 113.2 | K135 V139 E140 L141 | K135-L137 PolarHBondContact O-N 2.99Å; K135-L137 VanDerWaalsContact O-N 3.08Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-E140 PolarHBondContact O-N 2.93Å; L137-L141 WeakPolarHBondContact O-CG 3.35Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L141 VanDerWaalsContact O-N 3.14Å |
| 138 | E | 87.3 | Confident | 88.3 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 34% | 0.341 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.1 | -33.9 | -179.9 | -68.9 | 161.9 | -169.4 | 0 | 0 | 110.8 | L134 K135 L141 R142 | L134-E138 HydrophobicContact CB-CB 4.29Å; L134-E138 HydrophobicContact CD2-CB 4.48Å; K135-E138 HydrophobicContact CB-CB 4.49Å; K135-E138 HydrophobicContact CB-CG 4.21Å; K135-E138 PolarHBondContact N-OE2 3.02Å; K135-E138 IonicContact NZ-OE1 2.84Å; K135-E138 PolarHBondContact NZ-OE1 2.95Å; K135-E138 WeakPolarHBondContact O-CB 3.1Å; K135-E138 PolarHBondContact O-N 3.17Å; E138-L141 PolarHBondContact O-N 2.91Å; E138-R142 WeakPolarHBondContact O-CB 3.44Å; E138-R142 PolarHBondContact O-N 2.95Å |
| 139 | V | 88.7 | Confident | 88.7 | Confident | 25 Ų | 25 | 98 Ų | 98 | 15% | 0.152 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | A129 L134 K135 P136 L137 R142 R143 | A129-V139 HydrophobicContact CB-CG1 4.42Å; A129-V139 HydrophobicContact CB-CG2 3.38Å; L134-V139 HydrophobicContact CB-CG2 3.68Å; L134-V139 HydrophobicContact CD1-CG2 4.23Å; K135-V139 WeakPolarHBondContact O-CG2 3.23Å; K135-V139 PolarHBondContact O-N 3.47Å; K135-V139 VanDerWaalsContact O-N 3.13Å; P136-V139 PolarHBondContact O-N 3.27Å; L137-V139 VanDerWaalsContact C-N 3.32Å; V139-R142 PolarHBondContact O-N 3.48Å; V139-R143 PolarHBondContact O-N 2.96Å |
| 140 | E | 88.7 | Confident | 88.9 | Confident | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 177.2 | -71.9 | -177.3 | 177.6 | 0 | 0 | 111.6 | P136 L137 R142 R143 L144 | P136-E140 PolarHBondContact O-N 3.47Å; L137-E140 PolarHBondContact O-N 2.93Å; E140-R142 VanDerWaalsContact C-N 3.34Å; E140-R142 PolarHBondContact O-N 3.28Å; E140-R143 PolarHBondContact O-N 3.25Å; E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.44Å |
| 141 | L | 90.9 | Very high | 89.1 | Confident | 104 Ų | 104 | 95.2 Ų | 95.2 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 175.1 | -72 | 174.5 | 0 | 0 | 0 | 111.8 | L137 E138 R143 L144 E145 | L137-L141 WeakPolarHBondContact O-CG 3.35Å; L137-L141 PolarHBondContact O-N 2.89Å; L137-L141 VanDerWaalsContact O-N 3.14Å; E138-L141 PolarHBondContact O-N 2.91Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.49Å; L141-L144 PolarHBondContact O-N 3.45Å; L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 3.32Å |
| 142 | R | 89.2 | Confident | 89.4 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 177.7 | -172.8 | 67.9 | -160.4 | 161.5 | 10.5 | 112.2 | E138 V139 E140 E145 D146 | E138-R142 WeakPolarHBondContact O-CB 3.44Å; E138-R142 PolarHBondContact O-N 2.95Å; V139-R142 PolarHBondContact O-N 3.48Å; E140-R142 VanDerWaalsContact C-N 3.34Å; E140-R142 PolarHBondContact O-N 3.28Å; R142-E145 IonicContact CZ-OE2 3.87Å; R142-E145 IonicContact NE-OE2 3.31Å; R142-E145 IonicContact NH1-OE1 3.02Å; R142-E145 PolarHBondContact NH1-OE1 2.88Å; R142-E145 IonicContact NH1-OE2 2.79Å; R142-E145 PolarHBondContact NH1-OE2 3.32Å; R142-E145 PolarHBondContact O-N 2.96Å; R142-D146 IonicContact CZ-OD1 3.33Å; R142-D146 IonicContact NE-OD1 3.35Å; R142-D146 PolarHBondContact NE-OD1 3.06Å; R142-D146 IonicContact NH2-OD1 2.83Å; R142-D146 PolarHBondContact NH2-OD1 3.03Å; R142-D146 PolarHBondContact O-N 2.85Å |
| 143 | R | 88.9 | Confident | 89.6 | Confident | 144 Ų | 144 | 92.1 Ų | 92.1 | 54% | 0.543 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.2 | -175.1 | 177.4 | -178.1 | -174.1 | 1.8 | 111.9 | Y125 V139 E140 L141 L147 | Y125-R143 HydrophobicContact CD1-CB 4.14Å; Y125-R143 HydrophobicContact CD2-CB 4.48Å; Y125-R143 HydrophobicContact CD2-CG 4.15Å; Y125-R143 HydrophobicContact CE1-CB 3.93Å; Y125-R143 HydrophobicContact CE1-CG 4.35Å; Y125-R143 HydrophobicContact CE2-CB 4.26Å; Y125-R143 HydrophobicContact CE2-CG 3.79Å; Y125-R143 HydrophobicContact CG-CB 4.43Å; V139-R143 PolarHBondContact O-N 2.96Å; E140-R143 PolarHBondContact O-N 3.25Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.49Å; R143-L147 VanDerWaalsContact O-CB 3.29Å; R143-L147 WeakPolarHBondContact O-CB 3.25Å; R143-L147 PolarHBondContact O-N 2.96Å |
| 144 | L | 91.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 86.5 Ų | 86.5 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.1 | -37.5 | 177 | -70.1 | 174.9 | 0 | 0 | 0 | 112.4 | E140 L141 L147 S148 | E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.44Å; L141-L144 PolarHBondContact O-N 3.45Å; L144-L147 PolarHBondContact O-N 2.9Å; L144-S148 VanDerWaalsContact O-CB 3.31Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.79Å |
| 145 | E | 91.6 | Very high | 90 | Very high | 100 Ų | 100 | 91.1 Ų | 91.1 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -54.5 | 174.6 | -175.3 | -172.5 | 176.8 | 0 | 0 | 110.9 | L141 R142 L147 S148 E149 | L141-E145 WeakPolarHBondContact O-CB 3.49Å; L141-E145 PolarHBondContact O-N 3.32Å; R142-E145 IonicContact CZ-OE2 3.87Å; R142-E145 IonicContact NE-OE2 3.31Å; R142-E145 IonicContact NH1-OE1 3.02Å; R142-E145 PolarHBondContact NH1-OE1 2.88Å; R142-E145 IonicContact NH1-OE2 2.79Å; R142-E145 PolarHBondContact NH1-OE2 3.32Å; R142-E145 PolarHBondContact O-N 2.96Å; E145-L147 VanDerWaalsContact C-N 3.29Å; E145-L147 PolarHBondContact O-N 2.84Å; E145-S148 PolarHBondContact O-N 2.63Å; E145-S148 VanDerWaalsContact O-N 3.13Å; E145-E149 PolarHBondContact O-N 2.83Å |
| 146 | D | 90.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 87.7 Ų | 87.7 | 6% | 0.064 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 178 | -80.7 | 6.2 | 0 | 0 | 0 | 111.5 | V120 K123 Y125 R142 S150 | V120-D146 HydrophobicContact CG1-CB 4.39Å; V120-D146 HydrophobicContact CG2-CB 4.27Å; K123-D146 IonicContact NZ-OD2 3.54Å; K123-D146 PolarHBondContact NZ-OD2 3.46Å; Y125-D146 VanDerWaalsContact OH-CB 3.31Å; Y125-D146 WeakPolarHBondContact OH-CB 3.17Å; Y125-D146 PolarHBondContact OH-OD2 2.8Å; R142-D146 IonicContact CZ-OD1 3.33Å; R142-D146 IonicContact NE-OD1 3.35Å; R142-D146 PolarHBondContact NE-OD1 3.06Å; R142-D146 IonicContact NH2-OD1 2.83Å; R142-D146 PolarHBondContact NH2-OD1 3.03Å; R142-D146 PolarHBondContact O-N 2.85Å; D146-S150 WeakPolarHBondContact O-CB 3.29Å; D146-S150 PolarHBondContact O-N 3.11Å |
| 147 | L | 90.9 | Very high | 90.1 | Very high | 79 Ų | 79 | 86.9 Ų | 86.9 | 41% | 0.414 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 175.9 | -177.5 | 63.9 | 0 | 0 | 0 | 111.8 | V120 R143 L144 E145 E149 S150 I151 | V120-L147 HydrophobicContact CG1-CB 4.29Å; R143-L147 VanDerWaalsContact O-CB 3.29Å; R143-L147 WeakPolarHBondContact O-CB 3.25Å; R143-L147 PolarHBondContact O-N 2.96Å; L144-L147 PolarHBondContact O-N 2.9Å; E145-L147 VanDerWaalsContact C-N 3.29Å; E145-L147 PolarHBondContact O-N 2.84Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-S150 PolarHBondContact O-N 3.2Å; L147-I151 HydrophobicContact CD1-CD1 4.24Å; L147-I151 HydrophobicContact CG-CD1 4Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.76Å |
| 148 | S | 94.3 | Very high | 90.2 | Very high | 69 Ų | 69 | 87.3 Ų | 87.3 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.5 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | L144 E145 I151 V152 | L144-S148 VanDerWaalsContact O-CB 3.31Å; L144-S148 WeakPolarHBondContact O-CB 3.43Å; L144-S148 PolarHBondContact O-N 2.79Å; E145-S148 PolarHBondContact O-N 2.63Å; E145-S148 VanDerWaalsContact O-N 3.13Å; S148-I151 PolarHBondContact O-N 3.36Å; S148-V152 VanDerWaalsContact O-CG2 3.3Å; S148-V152 WeakPolarHBondContact O-CG2 3.43Å; S148-V152 PolarHBondContact O-N 3.01Å |
| 149 | E | 91.5 | Very high | 90.5 | Very high | 108 Ų | 108 | 89.6 Ų | 89.6 | 51% | 0.505 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 177.5 | -174.4 | 174.6 | -172.4 | 0 | 0 | 111.3 | E145 L147 I151 V152 N153 | E145-E149 PolarHBondContact O-N 2.83Å; L147-E149 VanDerWaalsContact C-N 3.34Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.2Å; E149-V152 PolarHBondContact O-N 2.7Å; E149-N153 PolarHBondContact O-N 2.93Å; E149-N153 PolarHBondContact O-ND2 3.35Å |
| 150 | S | 87.8 | Confident | 90.7 | Very high | 40 Ų | 40 | 94.4 Ų | 94.4 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.8 | -48.3 | 174.2 | -168.4 | 0 | 0 | 0 | 0 | 111.5 | D146 L147 V152 N153 D154 | D146-S150 WeakPolarHBondContact O-CB 3.29Å; D146-S150 PolarHBondContact O-N 3.11Å; L147-S150 PolarHBondContact O-N 3.2Å; S150-V152 PolarHBondContact O-N 2.96Å; S150-N153 PolarHBondContact O-N 3.36Å; S150-D154 VanDerWaalsContact O-CG 3.26Å; S150-D154 PolarHBondContact O-N 3.23Å |
| 151 | I | 91.5 | Very high | 90.9 | Very high | 74 Ų | 74 | 95.9 Ų | 95.9 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | -179.8 | -70.7 | 167.6 | 0 | 0 | 0 | 111.4 | L147 S148 E149 N153 D154 F155 | L147-I151 HydrophobicContact CD1-CD1 4.24Å; L147-I151 HydrophobicContact CG-CD1 4Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.33Å; L147-I151 PolarHBondContact O-N 2.76Å; S148-I151 PolarHBondContact O-N 3.36Å; E149-I151 VanDerWaalsContact C-N 3.34Å; E149-I151 PolarHBondContact O-N 3.2Å; I151-N153 VanDerWaalsContact C-N 3.32Å; I151-N153 PolarHBondContact O-N 2.95Å; I151-D154 PolarHBondContact O-N 3.43Å; I151-F155 HydrophobicContact CG2-CD2 3.5Å; I151-F155 VanDerWaalsContact CG2-CD2 3.5Å; I151-F155 HydrophobicContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact O-CD2 3.23Å; I151-F155 WeakPolarHBondContact O-CD2 3.38Å; I151-F155 PolarHBondContact O-N 3.07Å |
| 152 | V | 94.1 | Very high | 91 | Very high | 87 Ų | 87 | 97 Ų | 97 | 53% | 0.527 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 179 | 169.5 | 0 | 0 | 0 | 0 | 111 | S148 E149 S150 F155 A156 | S148-V152 VanDerWaalsContact O-CG2 3.3Å; S148-V152 WeakPolarHBondContact O-CG2 3.43Å; S148-V152 PolarHBondContact O-N 3.01Å; E149-V152 PolarHBondContact O-N 2.7Å; S150-V152 PolarHBondContact O-N 2.96Å; V152-F155 PolarHBondContact O-N 3.06Å; V152-A156 WeakPolarHBondContact O-CB 3.17Å; V152-A156 PolarHBondContact O-N 3.27Å |
| 153 | N | 88.9 | Confident | 91.4 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 49% | 0.492 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.4 | -71.6 | -25.2 | 0 | 0 | 0 | 111.5 | E149 S150 I151 F155 A156 Y157 | E149-N153 PolarHBondContact O-N 2.93Å; E149-N153 PolarHBondContact O-ND2 3.35Å; S150-N153 PolarHBondContact O-N 3.36Å; I151-N153 VanDerWaalsContact C-N 3.32Å; I151-N153 PolarHBondContact O-N 2.95Å; N153-F155 PolarHBondContact O-N 3.47Å; N153-A156 PolarHBondContact O-N 3.48Å; N153-Y157 PolarHBondContact O-N 2.77Å |
| 154 | D | 86.4 | Confident | 91.6 | Very high | 67 Ų | 67 | 95.1 Ų | 95.1 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 176.6 | -67.8 | -19.1 | 0 | 0 | 0 | 111.5 | S150 I151 A156 Y157 M158 | S150-D154 VanDerWaalsContact O-CG 3.26Å; S150-D154 PolarHBondContact O-N 3.23Å; I151-D154 PolarHBondContact O-N 3.43Å; D154-A156 PolarHBondContact O-N 2.92Å; D154-Y157 WeakPolarHBondContact O-CB 3.43Å; D154-Y157 PolarHBondContact O-N 3.24Å; D154-M158 WeakPolarHBondContact O-CG 3.43Å; D154-M158 PolarHBondContact O-N 3.38Å |
| 155 | F | 92.6 | Very high | 91.8 | Very high | 143 Ų | 143 | 96.4 Ų | 96.4 | 63% | 0.627 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 175 | -89.6 | -67.4 | 0 | 0 | 0 | 112.4 | I151 V152 N153 Y157 M158 K159 | I151-F155 HydrophobicContact CG2-CD2 3.5Å; I151-F155 VanDerWaalsContact CG2-CD2 3.5Å; I151-F155 HydrophobicContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact CG2-CE2 3.46Å; I151-F155 VanDerWaalsContact O-CD2 3.23Å; I151-F155 WeakPolarHBondContact O-CD2 3.38Å; I151-F155 PolarHBondContact O-N 3.07Å; V152-F155 PolarHBondContact O-N 3.06Å; N153-F155 PolarHBondContact O-N 3.47Å; F155-Y157 VanDerWaalsContact C-N 3.31Å; F155-Y157 PolarHBondContact O-N 3.21Å; F155-M158 PolarHBondContact O-N 3.49Å; F155-K159 WeakPolarHBondContact O-CB 3.35Å; F155-K159 PolarHBondContact O-N 2.86Å |
| 156 | A | 91.8 | Very high | 92 | Very high | 59 Ų | 59 | 98.8 Ų | 98.8 | 49% | 0.488 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V152 N153 D154 K160 | V152-A156 WeakPolarHBondContact O-CB 3.17Å; V152-A156 PolarHBondContact O-N 3.27Å; N153-A156 PolarHBondContact O-N 3.48Å; D154-A156 PolarHBondContact O-N 2.92Å; A156-K160 PolarHBondContact O-N 3.38Å |
| 157 | Y | 87.1 | Confident | 92.3 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | 174.3 | 173.7 | -107.4 | 0 | 0 | 0 | 112.2 | H40 Y89 N153 D154 F155 K159 K160 R161 | H40-Y157 AromaticContact NE2-CD1 3.69Å; H40-Y157 AromaticContact NE2-CG 3.88Å; Y89-Y157 WeakPolarHBondContact OH-CE2 3.45Å; Y89-Y157 VanDerWaalsContact OH-CZ 3.24Å; N153-Y157 PolarHBondContact O-N 2.77Å; D154-Y157 WeakPolarHBondContact O-CB 3.43Å; D154-Y157 PolarHBondContact O-N 3.24Å; F155-Y157 VanDerWaalsContact C-N 3.31Å; F155-Y157 PolarHBondContact O-N 3.21Å; Y157-K159 VanDerWaalsContact C-N 3.3Å; Y157-K159 PolarHBondContact O-N 3.28Å; Y157-K160 PolarHBondContact O-N 3.25Å; Y157-R161 PolarHBondContact O-N 3.4Å |
| 158 | M | 89.8 | Confident | 92.4 | Very high | 128 Ų | 128 | 103.4 Ų | 103.4 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -42.6 | 178.6 | -72.1 | -172.8 | 76.7 | 0 | 0 | 111.9 | D154 F155 R161 E162 | D154-M158 WeakPolarHBondContact O-CG 3.43Å; D154-M158 PolarHBondContact O-N 3.38Å; F155-M158 PolarHBondContact O-N 3.49Å; M158-R161 PolarHBondContact O-N 3.42Å; M158-E162 PolarHBondContact O-N 2.97Å |
| 159 | K | 95.3 | Very high | 92.5 | Very high | 122 Ų | 122 | 105.5 Ų | 105.5 | 53% | 0.53 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 177 | -177.6 | 179 | 176.1 | -177.6 | 0 | 111.9 | F155 Y157 R161 E162 E163 | F155-K159 WeakPolarHBondContact O-CB 3.35Å; F155-K159 PolarHBondContact O-N 2.86Å; Y157-K159 VanDerWaalsContact C-N 3.3Å; Y157-K159 PolarHBondContact O-N 3.28Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.29Å; K159-E162 WeakPolarHBondContact O-CB 3.46Å; K159-E162 PolarHBondContact O-N 2.78Å; K159-E163 WeakPolarHBondContact CE-OE1 3.32Å; K159-E163 WeakPolarHBondContact O-CG 3.31Å; K159-E163 PolarHBondContact O-N 3.47Å |
| 160 | K | 92.7 | Very high | 92.7 | Very high | 125 Ų | 125 | 105.5 Ų | 105.5 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 177.5 | -175.9 | 178.6 | 178 | -176.5 | 0 | 111.4 | A156 Y157 E162 E163 E164 | A156-K160 PolarHBondContact O-N 3.38Å; Y157-K160 PolarHBondContact O-N 3.25Å; K160-E162 VanDerWaalsContact C-N 3.34Å; K160-E162 PolarHBondContact O-N 3.07Å; K160-E163 PolarHBondContact O-N 3.04Å; K160-E164 WeakPolarHBondContact CE-OE1 3.29Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 2.73Å |
| 161 | R | 91.6 | Very high | 93 | Very high | 160 Ų | 160 | 105.6 Ų | 105.6 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -38.5 | 177.3 | -170.4 | -175.3 | 178 | 173.3 | 4.2 | 112.3 | Y157 M158 K159 E164 M165 | Y157-R161 PolarHBondContact O-N 3.4Å; M158-R161 PolarHBondContact O-N 3.42Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.29Å; R161-E164 PolarHBondContact O-N 3.03Å; R161-M165 VanDerWaalsContact O-CB 3.32Å; R161-M165 WeakPolarHBondContact O-CB 3.47Å; R161-M165 PolarHBondContact O-N 2.93Å |
| 162 | E | 94.7 | Very high | 93.2 | Very high | 127 Ų | 127 | 105.7 Ų | 105.7 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 173.8 | -174 | -164.5 | 163.9 | 0 | 0 | 111.1 | M158 K159 K160 E164 M165 R166 | M158-E162 PolarHBondContact O-N 2.97Å; K159-E162 WeakPolarHBondContact O-CB 3.46Å; K159-E162 PolarHBondContact O-N 2.78Å; K160-E162 VanDerWaalsContact C-N 3.34Å; K160-E162 PolarHBondContact O-N 3.07Å; E162-E164 PolarHBondContact O-N 2.93Å; E162-M165 PolarHBondContact O-N 3.39Å; E162-R166 VanDerWaalsContact O-CB 3.29Å; E162-R166 WeakPolarHBondContact O-CB 3.27Å; E162-R166 PolarHBondContact O-N 2.92Å |
| 163 | E | 95.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 106.4 Ų | 106.4 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 178.2 | -73.2 | 175 | -176.9 | 0 | 0 | 111.5 | K159 K160 R166 D167 | K159-E163 WeakPolarHBondContact CE-OE1 3.32Å; K159-E163 WeakPolarHBondContact O-CG 3.31Å; K159-E163 PolarHBondContact O-N 3.47Å; K160-E163 PolarHBondContact O-N 3.04Å; E163-R166 PolarHBondContact O-N 2.97Å; E163-D167 PolarHBondContact O-N 2.96Å |
| 164 | E | 94.4 | Very high | 93.5 | Very high | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.6 | -69.3 | 173.8 | -173.1 | 0 | 0 | 112.1 | K160 R161 E162 R166 D167 T168 | K160-E164 WeakPolarHBondContact CE-OE1 3.29Å; K160-E164 WeakPolarHBondContact O-CG 3.42Å; K160-E164 PolarHBondContact O-N 2.73Å; R161-E164 PolarHBondContact O-N 3.03Å; E162-E164 PolarHBondContact O-N 2.93Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 3.04Å; E164-D167 PolarHBondContact O-N 3.38Å; E164-T168 WeakPolarHBondContact O-CG2 3.41Å; E164-T168 PolarHBondContact O-N 2.88Å; E164-T168 PolarHBondContact O-OG1 2.98Å |
| 165 | M | 94.6 | Very high | 94 | Very high | 137 Ų | 137 | 109.7 Ų | 109.7 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.5 | -35.2 | 176.7 | -170.1 | 172.4 | -180 | 0 | 0 | 111.8 | R161 E162 T168 N169 | R161-M165 VanDerWaalsContact O-CB 3.32Å; R161-M165 WeakPolarHBondContact O-CB 3.47Å; R161-M165 PolarHBondContact O-N 2.93Å; E162-M165 PolarHBondContact O-N 3.39Å; M165-T168 WeakPolarHBondContact CA-OG1 3.37Å; M165-T168 PolarHBondContact O-OG1 3.11Å; M165-N169 VanDerWaalsContact O-CB 3.27Å; M165-N169 WeakPolarHBondContact O-CB 3.38Å; M165-N169 PolarHBondContact O-N 3.49Å |
| 166 | R | 96.3 | Very high | 94.2 | Very high | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.5 | -43.6 | 176.4 | -170.6 | 172.6 | 68.6 | 89.6 | 0.9 | 111.2 | E162 E163 E164 N169 E170 | E162-R166 VanDerWaalsContact O-CB 3.29Å; E162-R166 WeakPolarHBondContact O-CB 3.27Å; E162-R166 PolarHBondContact O-N 2.92Å; E163-R166 PolarHBondContact O-N 2.97Å; E164-R166 VanDerWaalsContact C-N 3.31Å; E164-R166 PolarHBondContact O-N 3.04Å; R166-N169 PolarHBondContact O-N 3.48Å; R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 2.88Å |
| 167 | D | 95.7 | Very high | 94.5 | Very high | 108 Ų | 108 | 108.3 Ų | 108.3 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 179.9 | -162.9 | 46.3 | 0 | 0 | 0 | 112.1 | E163 E164 N169 E170 S171 | E163-D167 PolarHBondContact O-N 2.96Å; E164-D167 PolarHBondContact O-N 3.38Å; D167-N169 PolarHBondContact O-N 3.13Å; D167-E170 PolarHBondContact O-N 3.4Å; D167-S171 WeakPolarHBondContact O-CB 3.3Å; D167-S171 PolarHBondContact O-N 3.47Å; D167-S171 PolarHBondContact O-OG 2.88Å |
| 168 | T | 94.5 | Very high | 94.9 | Very high | 81 Ų | 81 | 111.6 Ų | 111.6 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 172.9 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | E164 M165 S171 T172 | E164-T168 WeakPolarHBondContact O-CG2 3.41Å; E164-T168 PolarHBondContact O-N 2.88Å; E164-T168 PolarHBondContact O-OG1 2.98Å; M165-T168 WeakPolarHBondContact CA-OG1 3.37Å; M165-T168 PolarHBondContact O-OG1 3.11Å; T168-S171 PolarHBondContact O-OG 3.23Å; T168-S171 VanDerWaalsContact O-OG 3.07Å; T168-T172 VanDerWaalsContact O-CB 3.27Å; T168-T172 WeakPolarHBondContact O-CB 3.27Å; T168-T172 PolarHBondContact O-N 3.39Å; T168-T172 PolarHBondContact O-OG1 3.21Å |
| 169 | N | 95.7 | Very high | 95.3 | Very high | 112 Ų | 112 | 112.7 Ų | 112.7 | 60% | 0.599 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 175.1 | -171.3 | 34.2 | 0 | 0 | 0 | 111.9 | M165 R166 D167 T172 N173 | M165-N169 VanDerWaalsContact O-CB 3.27Å; M165-N169 WeakPolarHBondContact O-CB 3.38Å; M165-N169 PolarHBondContact O-N 3.49Å; R166-N169 PolarHBondContact O-N 3.48Å; D167-N169 PolarHBondContact O-N 3.13Å; N169-T172 PolarHBondContact O-N 3.41Å; N169-N173 VanDerWaalsContact O-CB 3.3Å; N169-N173 WeakPolarHBondContact O-CB 3.26Å; N169-N173 PolarHBondContact O-N 3.38Å |
| 170 | E | 95.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 110.2 Ų | 110.2 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 179.4 | -175.9 | 170.1 | 175.1 | 0 | 0 | 112.1 | R166 D167 T172 N173 T174 | R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 2.88Å; D167-E170 PolarHBondContact O-N 3.4Å; E170-T172 VanDerWaalsContact C-N 3.35Å; E170-T172 PolarHBondContact O-N 3.45Å; E170-N173 PolarHBondContact O-N 3.34Å; E170-T174 WeakPolarHBondContact O-CB 3.39Å; E170-T174 PolarHBondContact O-N 3.45Å; E170-T174 PolarHBondContact O-OG1 3.08Å |
| 171 | S | 93.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 108 Ų | 108 | 29% | 0.294 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.7 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | D167 T168 R175 | D167-S171 WeakPolarHBondContact O-CB 3.3Å; D167-S171 PolarHBondContact O-N 3.47Å; D167-S171 PolarHBondContact O-OG 2.88Å; T168-S171 PolarHBondContact O-OG 3.23Å; T168-S171 VanDerWaalsContact O-OG 3.07Å; S171-R175 VanDerWaalsContact O-CG 3.26Å; S171-R175 WeakPolarHBondContact O-CG 3.35Å; S171-R175 PolarHBondContact O-N 3.33Å; S171-R175 VanDerWaalsContact O-N 3.13Å |
| 172 | T | 95.5 | Very high | 95.8 | Very high | 77 Ų | 77 | 107 Ų | 107 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -47.8 | 175 | -60 | 0 | 0 | 0 | 0 | 111.3 | T168 N169 E170 T174 R175 V176 | T168-T172 VanDerWaalsContact O-CB 3.27Å; T168-T172 WeakPolarHBondContact O-CB 3.27Å; T168-T172 PolarHBondContact O-N 3.39Å; T168-T172 PolarHBondContact O-OG1 3.21Å; N169-T172 PolarHBondContact O-N 3.41Å; E170-T172 VanDerWaalsContact C-N 3.35Å; E170-T172 PolarHBondContact O-N 3.45Å; T172-T174 VanDerWaalsContact C-N 3.3Å; T172-T174 PolarHBondContact O-N 3.31Å; T172-R175 PolarHBondContact O-N 3.48Å; T172-V176 HydrophobicContact CG2-CG2 4.44Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 3.44Å |
| 173 | N | 95.7 | Very high | 96 | Very high | 101 Ų | 101 | 104 Ų | 104 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 177.6 | -174.6 | 4 | 0 | 0 | 0 | 111.1 | N169 E170 R175 V176 L177 | N169-N173 VanDerWaalsContact O-CB 3.3Å; N169-N173 WeakPolarHBondContact O-CB 3.26Å; N169-N173 PolarHBondContact O-N 3.38Å; E170-N173 PolarHBondContact O-N 3.34Å; N173-R175 PolarHBondContact O-N 3.03Å; N173-V176 PolarHBondContact O-N 3.41Å; N173-L177 WeakPolarHBondContact O-CB 3.4Å; N173-L177 PolarHBondContact O-N 2.94Å |
| 174 | T | 95.1 | Very high | 96.1 | Very high | 62 Ų | 62 | 104.9 Ų | 104.9 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 177.9 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | E170 T172 L177 Y178 | E170-T174 WeakPolarHBondContact O-CB 3.39Å; E170-T174 PolarHBondContact O-N 3.45Å; E170-T174 PolarHBondContact O-OG1 3.08Å; T172-T174 VanDerWaalsContact C-N 3.3Å; T172-T174 PolarHBondContact O-N 3.31Å; T174-L177 PolarHBondContact O-N 2.9Å; T174-Y178 HydrophobicContact CG2-CD2 3.85Å; T174-Y178 HydrophobicContact CG2-CE2 3.41Å; T174-Y178 VanDerWaalsContact CG2-CE2 3.41Å; T174-Y178 WeakPolarHBondContact O-CD2 3.39Å; T174-Y178 PolarHBondContact O-N 3.47Å; T174-Y178 VanDerWaalsContact O-N 3.08Å |
| 175 | R | 96.4 | Very high | 96.2 | Very high | 166 Ų | 166 | 103.4 Ų | 103.4 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.9 | -43.5 | 176.7 | -68.9 | 169.2 | -169.7 | -167.2 | 5.2 | 112 | S171 T172 N173 L177 Y178 F179 | S171-R175 VanDerWaalsContact O-CG 3.26Å; S171-R175 WeakPolarHBondContact O-CG 3.35Å; S171-R175 PolarHBondContact O-N 3.33Å; S171-R175 VanDerWaalsContact O-N 3.13Å; T172-R175 PolarHBondContact O-N 3.48Å; N173-R175 PolarHBondContact O-N 3.03Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.04Å; R175-Y178 PolarHBondContact O-N 3.35Å; R175-F179 WeakPolarHBondContact O-CD2 3.45Å; R175-F179 PolarHBondContact O-N 3.48Å |
| 176 | V | 97.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 99.4 Ų | 99.4 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | T172 N173 F179 S180 | T172-V176 HydrophobicContact CG2-CG2 4.44Å; T172-V176 WeakPolarHBondContact O-CG2 3.47Å; T172-V176 PolarHBondContact O-N 3.44Å; N173-V176 PolarHBondContact O-N 3.41Å; V176-F179 PolarHBondContact O-N 2.97Å; V176-S180 WeakPolarHBondContact O-CB 3.08Å; V176-S180 PolarHBondContact O-N 3.35Å; V176-S180 PolarHBondContact O-OG 2.77Å |
| 177 | L | 96.6 | Very high | 96.4 | Very high | 95 Ų | 95 | 97.3 Ų | 97.3 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 175.3 | -171.2 | 157.6 | 0 | 0 | 0 | 110.8 | N173 T174 R175 F179 S180 V181 | N173-L177 WeakPolarHBondContact O-CB 3.4Å; N173-L177 PolarHBondContact O-N 2.94Å; T174-L177 PolarHBondContact O-N 2.9Å; R175-L177 VanDerWaalsContact C-N 3.32Å; R175-L177 PolarHBondContact O-N 3.04Å; L177-F179 PolarHBondContact O-N 3.25Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 3.4Å; L177-S180 VanDerWaalsContact O-N 3.14Å; L177-V181 HydrophobicContact CD2-CG2 3.91Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 2.9Å |
| 178 | Y | 96.1 | Very high | 96.5 | Very high | 159 Ų | 159 | 96.7 Ų | 96.7 | 62% | 0.624 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 177.5 | -75.7 | -61.6 | 0 | 0 | 0 | 112.7 | T174 R175 S180 V181 F182 | T174-Y178 HydrophobicContact CG2-CD2 3.85Å; T174-Y178 HydrophobicContact CG2-CE2 3.41Å; T174-Y178 VanDerWaalsContact CG2-CE2 3.41Å; T174-Y178 WeakPolarHBondContact O-CD2 3.39Å; T174-Y178 PolarHBondContact O-N 3.47Å; T174-Y178 VanDerWaalsContact O-N 3.08Å; R175-Y178 PolarHBondContact O-N 3.35Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 3.3Å; Y178-V181 PolarHBondContact O-N 3.38Å; Y178-F182 WeakPolarHBondContact O-CB 3.37Å; Y178-F182 PolarHBondContact O-N 3.3Å |
| 179 | F | 97.4 | Very high | 96.7 | Very high | 151 Ų | 151 | 94.6 Ų | 94.6 | 66% | 0.662 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -37.6 | 174.6 | -71.5 | -42.2 | 0 | 0 | 0 | 112.7 | R175 V176 L177 F182 S183 | R175-F179 WeakPolarHBondContact O-CD2 3.45Å; R175-F179 PolarHBondContact O-N 3.48Å; V176-F179 PolarHBondContact O-N 2.97Å; L177-F179 PolarHBondContact O-N 3.25Å; F179-F182 PolarHBondContact O-N 3.33Å; F179-S183 WeakPolarHBondContact O-CB 3.34Å; F179-S183 PolarHBondContact O-N 3.43Å |
| 180 | S | 96.8 | Very high | 96.8 | Very high | 70 Ų | 70 | 94.3 Ų | 94.3 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | V176 L177 Y178 S183 M184 | V176-S180 WeakPolarHBondContact O-CB 3.08Å; V176-S180 PolarHBondContact O-N 3.35Å; V176-S180 PolarHBondContact O-OG 2.77Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 3.4Å; L177-S180 VanDerWaalsContact O-N 3.14Å; Y178-S180 VanDerWaalsContact C-N 3.31Å; Y178-S180 PolarHBondContact O-N 3.3Å; S180-S183 PolarHBondContact O-N 3.41Å; S180-M184 WeakPolarHBondContact O-CB 3.49Å; S180-M184 PolarHBondContact O-N 3.37Å |
| 181 | V | 97.6 | Very high | 96.8 | Very high | 78 Ų | 78 | 91.4 Ų | 91.4 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 175.2 | 172 | 0 | 0 | 0 | 0 | 110.7 | L177 Y178 S183 M184 C185 | L177-V181 HydrophobicContact CD2-CG2 3.91Å; L177-V181 WeakPolarHBondContact O-CG2 3.45Å; L177-V181 PolarHBondContact O-N 2.9Å; Y178-V181 PolarHBondContact O-N 3.38Å; V181-S183 VanDerWaalsContact C-N 3.34Å; V181-S183 PolarHBondContact O-N 2.98Å; V181-M184 PolarHBondContact O-N 3.41Å; V181-C185 PolarHBondContact O-N 3.14Å; V181-C185 PolarHBondContact O-SG 2.93Å; V181-C185 VanDerWaalsContact O-SG 3.37Å |
| 182 | F | 97.5 | Very high | 97 | Very high | 140 Ų | 140 | 93.7 Ų | 93.7 | 61% | 0.614 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.7 | -44.7 | 177.3 | 176.2 | -102 | 0 | 0 | 0 | 112.1 | Y178 F179 C185 C186 | Y178-F182 WeakPolarHBondContact O-CB 3.37Å; Y178-F182 PolarHBondContact O-N 3.3Å; F179-F182 PolarHBondContact O-N 3.33Å; F182-C185 PolarHBondContact O-N 2.98Å; F182-C186 VanDerWaalsContact CZ-SG 3.57Å; F182-C186 PolarHBondContact O-N 3.21Å; F182-C186 PolarHBondContact O-SG 3.47Å |
| 183 | S | 97.4 | Very high | 97.1 | Very high | 63 Ų | 63 | 98.4 Ų | 98.4 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 176.1 | -176 | 0 | 0 | 0 | 0 | 111.9 | F179 S180 V181 C185 C186 L187 | F179-S183 WeakPolarHBondContact O-CB 3.34Å; F179-S183 PolarHBondContact O-N 3.43Å; S180-S183 PolarHBondContact O-N 3.41Å; V181-S183 VanDerWaalsContact C-N 3.34Å; V181-S183 PolarHBondContact O-N 2.98Å; S183-C185 VanDerWaalsContact C-N 3.34Å; S183-C185 PolarHBondContact O-N 3.4Å; S183-C186 WeakPolarHBondContact O-CB 3.37Å; S183-C186 PolarHBondContact O-N 3.08Å; S183-C186 VanDerWaalsContact O-N 3.15Å; S183-L187 WeakPolarHBondContact O-CG 3.43Å; S183-L187 PolarHBondContact O-N 3.49Å |
| 184 | M | 97.6 | Very high | 97.1 | Very high | 115 Ų | 115 | 99.6 Ų | 99.6 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 177.2 | -171 | 62.4 | 166.1 | 0 | 0 | 112 | S180 V181 C186 L187 I188 | S180-M184 WeakPolarHBondContact O-CB 3.49Å; S180-M184 PolarHBondContact O-N 3.37Å; V181-M184 PolarHBondContact O-N 3.41Å; M184-C186 PolarHBondContact O-N 2.95Å; M184-L187 PolarHBondContact O-N 3.15Å; M184-I188 HydrophobicContact CG-CD1 4.28Å; M184-I188 WeakPolarHBondContact O-CG1 3.43Å; M184-I188 PolarHBondContact O-N 2.94Å; M184-I188 VanDerWaalsContact O-N 3.08Å |
| 185 | C | 97.8 | Very high | 97 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 53% | 0.527 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.6 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | V181 F182 S183 I188 G189 | V181-C185 PolarHBondContact O-N 3.14Å; V181-C185 PolarHBondContact O-SG 2.93Å; V181-C185 VanDerWaalsContact O-SG 3.37Å; F182-C185 PolarHBondContact O-N 2.98Å; S183-C185 VanDerWaalsContact C-N 3.34Å; S183-C185 PolarHBondContact O-N 3.4Å; C185-I188 PolarHBondContact O-N 3.41Å; C185-G189 PolarHBondContact O-N 3.33Å |
| 186 | C | 97.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 98.7 Ų | 98.7 | 36% | 0.358 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 176.2 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | F182 S183 M184 G189 L190 | F182-C186 VanDerWaalsContact CZ-SG 3.57Å; F182-C186 PolarHBondContact O-N 3.21Å; F182-C186 PolarHBondContact O-SG 3.47Å; S183-C186 WeakPolarHBondContact O-CB 3.37Å; S183-C186 PolarHBondContact O-N 3.08Å; S183-C186 VanDerWaalsContact O-N 3.15Å; M184-C186 PolarHBondContact O-N 2.95Å; C186-G189 PolarHBondContact O-N 3.02Å; C186-L190 WeakPolarHBondContact O-CG 3.25Å; C186-L190 PolarHBondContact O-N 2.87Å |
| 187 | L | 97.6 | Very high | 96.8 | Very high | 106 Ų | 106 | 101.4 Ų | 101.4 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 178.5 | -70.1 | 176 | 0 | 0 | 0 | 112.2 | S183 M184 G189 L190 A191 | S183-L187 WeakPolarHBondContact O-CG 3.43Å; S183-L187 PolarHBondContact O-N 3.49Å; M184-L187 PolarHBondContact O-N 3.15Å; L187-G189 VanDerWaalsContact C-N 3.35Å; L187-L190 PolarHBondContact O-N 3.38Å; L187-A191 WeakPolarHBondContact O-CB 3.41Å; L187-A191 PolarHBondContact O-N 2.93Å |
| 188 | I | 97.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.2 | -65.3 | 167.3 | 0 | 0 | 0 | 110.6 | M184 C185 A191 T192 | M184-I188 HydrophobicContact CG-CD1 4.28Å; M184-I188 WeakPolarHBondContact O-CG1 3.43Å; M184-I188 PolarHBondContact O-N 2.94Å; M184-I188 VanDerWaalsContact O-N 3.08Å; C185-I188 PolarHBondContact O-N 3.41Å; I188-A191 PolarHBondContact O-N 3.25Å; I188-T192 HydrophobicContact CG2-CG2 4.49Å; I188-T192 WeakPolarHBondContact O-CG2 3.32Å; I188-T192 PolarHBondContact O-N 2.97Å; I188-T192 PolarHBondContact O-OG1 3.36Å |
| 189 | G | 97.7 | Very high | 96 | Very high | 36 Ų | 36 | 102.2 Ų | 102.2 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C185 C186 L187 T192 W193 | C185-G189 PolarHBondContact O-N 3.33Å; C186-G189 PolarHBondContact O-N 3.02Å; L187-G189 VanDerWaalsContact C-N 3.35Å; G189-T192 PolarHBondContact O-OG1 2.85Å; G189-W193 WeakPolarHBondContact O-CB 3.37Å; G189-W193 PolarHBondContact O-N 3.39Å |
| 190 | L | 97.4 | Very high | 95.6 | Very high | 106 Ų | 106 | 103.4 Ų | 103.4 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 176.3 | -69.7 | 176.2 | 0 | 0 | 0 | 112.2 | C186 L187 W193 Q194 | C186-L190 WeakPolarHBondContact O-CG 3.25Å; C186-L190 PolarHBondContact O-N 2.87Å; L187-L190 PolarHBondContact O-N 3.38Å; L190-W193 PolarHBondContact O-N 3.01Å; L190-Q194 WeakPolarHBondContact O-CB 3.39Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.37Å; L190-Q194 PolarHBondContact O-N 3.02Å |
| 191 | A | 96.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 104.5 Ų | 104.5 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L187 I188 Q194 V195 | L187-A191 WeakPolarHBondContact O-CB 3.41Å; L187-A191 PolarHBondContact O-N 2.93Å; I188-A191 PolarHBondContact O-N 3.25Å; A191-Q194 PolarHBondContact O-N 2.91Å; A191-V195 WeakPolarHBondContact O-CG2 3.41Å; A191-V195 PolarHBondContact O-N 3.25Å; A191-V195 VanDerWaalsContact O-N 3.1Å |
| 192 | T | 96.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 105 Ų | 105 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65 | -41.7 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | I188 G189 V195 F196 | I188-T192 HydrophobicContact CG2-CG2 4.49Å; I188-T192 WeakPolarHBondContact O-CG2 3.32Å; I188-T192 PolarHBondContact O-N 2.97Å; I188-T192 PolarHBondContact O-OG1 3.36Å; G189-T192 PolarHBondContact O-OG1 2.85Å; T192-V195 PolarHBondContact O-N 3.35Å; T192-F196 PolarHBondContact O-N 3.1Å |
| 193 | W | 97.4 | Very high | 93.8 | Very high | 177 Ų | 177 | 106.1 Ų | 106.1 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.5 | -45.9 | 173.5 | -177.9 | -89.9 | 0 | 0 | 0 | 112.1 | G189 L190 V195 F196 Y197 | G189-W193 WeakPolarHBondContact O-CB 3.37Å; G189-W193 PolarHBondContact O-N 3.39Å; L190-W193 PolarHBondContact O-N 3.01Å; W193-V195 PolarHBondContact O-N 3.43Å; W193-F196 PolarHBondContact O-N 3.35Å; W193-Y197 WeakPolarHBondContact O-CB 3.41Å; W193-Y197 PolarHBondContact O-N 2.98Å |
| 194 | Q | 95.8 | Very high | 93 | Very high | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -57.2 | -46.4 | 177 | -79 | 174.6 | -13.9 | 0 | 0 | 111.8 | L190 A191 Y197 L198 | L190-Q194 WeakPolarHBondContact O-CB 3.39Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.37Å; L190-Q194 PolarHBondContact O-N 3.02Å; A191-Q194 PolarHBondContact O-N 2.91Å; Q194-Y197 PolarHBondContact O-N 3.47Å; Q194-L198 WeakPolarHBondContact O-CG 3.44Å; Q194-L198 PolarHBondContact O-N 2.84Å |
| 195 | V | 94.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 108 Ų | 108 | 52% | 0.515 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.9 | 174 | 0 | 0 | 0 | 0 | 111.5 | A191 T192 W193 L198 R199 | A191-V195 WeakPolarHBondContact O-CG2 3.41Å; A191-V195 PolarHBondContact O-N 3.25Å; A191-V195 VanDerWaalsContact O-N 3.1Å; T192-V195 PolarHBondContact O-N 3.35Å; W193-V195 PolarHBondContact O-N 3.43Å; V195-L198 PolarHBondContact O-N 2.85Å; V195-R199 WeakPolarHBondContact O-CB 3.47Å; V195-R199 WeakPolarHBondContact O-CG 3.47Å; V195-R199 PolarHBondContact O-N 3.09Å |
| 196 | F | 94.1 | Very high | 90.5 | Very high | 124 Ų | 124 | 113.6 Ų | 113.6 | 54% | 0.544 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.1 | -44.2 | 177.8 | -177.8 | -98.3 | 0 | 0 | 0 | 111.9 | T192 W193 R199 R200 | T192-F196 PolarHBondContact O-N 3.1Å; W193-F196 PolarHBondContact O-N 3.35Å; F196-R199 PolarHBondContact O-N 2.89Å; F196-R200 WeakPolarHBondContact O-CB 3.36Å; F196-R200 PolarHBondContact O-N 3.33Å |
| 197 | Y | 94 | Very high | 88.8 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.6 | -49.6 | 176.4 | 178.4 | -94.6 | 0 | 0 | 0 | 111.3 | W193 Q194 R199 R200 F201 | W193-Y197 WeakPolarHBondContact O-CB 3.41Å; W193-Y197 PolarHBondContact O-N 2.98Å; Q194-Y197 PolarHBondContact O-N 3.47Å; Y197-R199 PolarHBondContact O-N 2.95Å; Y197-R200 PolarHBondContact O-N 2.96Å; Y197-F201 VanDerWaalsContact O-CB 3.32Å; Y197-F201 WeakPolarHBondContact O-CB 3.32Å; Y197-F201 PolarHBondContact O-N 3.42Å |
| 198 | L | 90.3 | Very high | 86.8 | Confident | 91 Ų | 91 | 117.6 Ų | 117.6 | 48% | 0.476 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61 | -44.7 | 177.3 | -73.4 | 174.4 | 0 | 0 | 0 | 111.8 | Q194 V195 R200 F201 F202 | Q194-L198 WeakPolarHBondContact O-CG 3.44Å; Q194-L198 PolarHBondContact O-N 2.84Å; V195-L198 PolarHBondContact O-N 2.85Å; L198-R200 PolarHBondContact O-N 3.28Å; L198-F201 PolarHBondContact O-N 3.27Å; L198-F202 HydrophobicContact CB-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 3.44Å |
| 199 | R | 87 | Confident | 84.4 | Confident | 181 Ų | 181 | 125.5 Ų | 125.5 | 68% | 0.683 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.9 | -43.9 | 175.7 | -80.3 | -170.2 | 170.1 | -164.9 | -2 | 112.4 | V195 F196 Y197 K203 | V195-R199 WeakPolarHBondContact O-CB 3.47Å; V195-R199 WeakPolarHBondContact O-CG 3.47Å; V195-R199 PolarHBondContact O-N 3.09Å; F196-R199 PolarHBondContact O-N 2.89Å; Y197-R199 PolarHBondContact O-N 2.95Å; R199-K203 WeakPolarHBondContact O-CG 3.37Å; R199-K203 PolarHBondContact O-N 3.48Å; R199-K203 VanDerWaalsContact O-N 3.09Å |
| 200 | R | 87.3 | Confident | 83.7 | Confident | 175 Ų | 175 | 130 Ų | 130 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66 | -40 | 177.7 | -177.7 | 169.4 | 175.2 | 156.5 | -2.5 | 111.5 | F196 Y197 L198 K203 A204 | F196-R200 WeakPolarHBondContact O-CB 3.36Å; F196-R200 PolarHBondContact O-N 3.33Å; Y197-R200 PolarHBondContact O-N 2.96Å; L198-R200 PolarHBondContact O-N 3.28Å; R200-K203 PolarHBondContact O-N 3.34Å; R200-A204 WeakPolarHBondContact O-CB 3.11Å; R200-A204 PolarHBondContact O-N 3.28Å |
| 201 | F | 88.8 | Confident | 83 | Confident | 94 Ų | 94 | 131.3 Ų | 131.3 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.4 | -47.3 | 176.5 | -176.9 | -94.2 | 0 | 0 | 0 | 111.8 | Y197 L198 A204 K205 | Y197-F201 VanDerWaalsContact O-CB 3.32Å; Y197-F201 WeakPolarHBondContact O-CB 3.32Å; Y197-F201 PolarHBondContact O-N 3.42Å; L198-F201 PolarHBondContact O-N 3.27Å; F201-A204 PolarHBondContact O-N 3.37Å; F201-K205 HydrophobicContact CE1-CG 4.4Å; F201-K205 HydrophobicContact CZ-CG 4.34Å; F201-K205 PolarHBondContact O-N 2.98Å; F201-K205 VanDerWaalsContact O-N 3.13Å |
| 202 | F | 85.3 | Confident | 82.2 | Confident | 88 Ų | 88 | 135.9 Ų | 135.9 | 39% | 0.386 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.6 | -39.6 | 178 | -74.9 | -59.8 | 0 | 0 | 0 | 113.2 | L198 K205 K206 L207 | L198-F202 HydrophobicContact CB-CE2 4.49Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 3.44Å; F202-K205 PolarHBondContact O-N 3.13Å; F202-K206 PolarHBondContact O-N 3.49Å; F202-L207 HydrophobicContact CD1-CB 4.34Å; F202-L207 HydrophobicContact CD1-CD1 4.28Å; F202-L207 PolarHBondContact O-N 3.27Å |
| 203 | K | 79.7 | Confident | 81.4 | Confident | 164 Ų | 164 | 138.6 Ų | 138.6 | 71% | 0.713 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62 | -44.1 | 173.3 | -77.1 | -172.4 | 176.3 | -168.7 | 0 | 112.3 | R199 R200 K205 K206 | R199-K203 WeakPolarHBondContact O-CG 3.37Å; R199-K203 PolarHBondContact O-N 3.48Å; R199-K203 VanDerWaalsContact O-N 3.09Å; R200-K203 PolarHBondContact O-N 3.34Å; K203-K205 VanDerWaalsContact C-N 3.27Å; K203-K205 PolarHBondContact O-N 3.35Å; K203-K206 PolarHBondContact O-N 3.42Å |
| 204 | A | 80.8 | Confident | 80.4 | Confident | 81 Ų | 81 | 136.3 Ų | 136.3 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -29.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | R200 F201 | R200-A204 WeakPolarHBondContact O-CB 3.11Å; R200-A204 PolarHBondContact O-N 3.28Å; F201-A204 PolarHBondContact O-N 3.37Å |
| 205 | K | 80.3 | Confident | 79.4 | Confident | 136 Ų | 136 | 137 Ų | 137 | 59% | 0.591 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 3.3 | 178.6 | -69.5 | -68.9 | -173.1 | 178.9 | 0 | 114.4 | F201 F202 K203 L207 | F201-K205 HydrophobicContact CE1-CG 4.4Å; F201-K205 HydrophobicContact CZ-CG 4.34Å; F201-K205 PolarHBondContact O-N 2.98Å; F201-K205 VanDerWaalsContact O-N 3.13Å; F202-K205 PolarHBondContact O-N 3.13Å; K203-K205 VanDerWaalsContact C-N 3.27Å; K203-K205 PolarHBondContact O-N 3.35Å; K205-L207 VanDerWaalsContact C-N 3.25Å; K205-L207 HydrophobicContact CB-CD1 3.98Å; K205-L207 HydrophobicContact CB-CG 4.41Å; K205-L207 PolarHBondContact O-N 3.27Å |
| 206 | K | 64.3 | Low | 78.2 | Confident | 196 Ų | 196 | 140.7 Ų | 140.7 | 85% | 0.852 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.5 | 36.8 | -179.3 | -66.6 | -172.3 | 175.6 | -173.9 | 0 | 114.3 | F202 K203 | F202-K206 PolarHBondContact O-N 3.49Å; K203-K206 PolarHBondContact O-N 3.42Å |
| 207 | L | 61.6 | Low | 77 | Confident | 120 Ų | 120 | 142 Ų | 142 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -90 | -14.3 | -179.3 | -80.9 | 159.9 | 0 | 0 | 0 | 113.7 | F202 K205 | F202-L207 HydrophobicContact CD1-CB 4.34Å; F202-L207 HydrophobicContact CD1-CD1 4.28Å; F202-L207 PolarHBondContact O-N 3.27Å; K205-L207 VanDerWaalsContact C-N 3.25Å; K205-L207 HydrophobicContact CB-CD1 3.98Å; K205-L207 HydrophobicContact CB-CG 4.41Å; K205-L207 PolarHBondContact O-N 3.27Å |
| 208 | I | 54.5 | Low | 75.6 | Confident | 122 Ų | 122 | 142.5 Ų | 142.5 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | trans | -144 | 127 | 175.6 | -54.5 | 175.3 | 0 | 0 | 0 | 106.3 | ||||
| 209 | E | 47.5 | Very low | 74.3 | Confident | 262 Ų | 262 | 147.2 Ų | 147.2 | 100% | 1.224 | 68% | 0.677 | S | S | * | * | trans | -74.7 | 0 | 176.4 | -158.2 | 164.9 | -160.5 | 0 | 0 | 111.4 |
Retrieved 209 of 209 residues in 232.6 ms
(Link to these results)