| 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 | 36.7 | Very low | 41.6 | Very low | 237 Ų | 237 | 160.2 Ų | 160.2 | 100% | 1.167 | 81% | 0.814 | S | S | * | * | 0 | 96.1 | 0 | -77.1 | 156.9 | 72.8 | 0 | 0 | 109 | |||||
| 2 | W | 38.4 | Very low | 42.1 | Very low | 213 Ų | 213 | 153.4 Ų | 153.4 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | -118.1 | 99.6 | 169.2 | -76.9 | 76 | 0 | 0 | 0 | 107.4 | Y4 | W2-Y4 HydrophobicContact CB-CD2 4.4Å; W2-Y4 HydrophobicContact CB-CE2 3.92Å; W2-Y4 HydrophobicContact CE3-CE2 4.49Å; W2-Y4 PolarHBondContact O-N 3.44Å | ||
| 3 | S | 35.7 | Very low | 42.1 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -83 | 100.8 | 175.4 | -165.7 | 0 | 0 | 0 | 0 | 108.1 | G5 | S3-G5 PolarHBondContact O-N 3.32Š| ||
| 4 | Y | 44.4 | Very low | 42.1 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -83.3 | 98.1 | 170.3 | -72.9 | -77.9 | 0 | 0 | 0 | 108.5 | W2 T6 | W2-Y4 HydrophobicContact CB-CD2 4.4Å; W2-Y4 HydrophobicContact CB-CE2 3.92Å; W2-Y4 HydrophobicContact CE3-CE2 4.49Å; W2-Y4 PolarHBondContact O-N 3.44Å; Y4-T6 PolarHBondContact O-N 3.13Å | ||
| 5 | G | 43.4 | Very low | 42.2 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | trans | -58.5 | 127.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S3 K7 | S3-G5 PolarHBondContact O-N 3.32Å; G5-K7 PolarHBondContact O-N 3.25Å | ||
| 6 | T | 44.7 | Very low | 42.2 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 72% | 0.719 | S | S | * | * | trans | -64.2 | 96.9 | 173.5 | 42 | 0 | 0 | 0 | 0 | 110.3 | Y4 V8 | Y4-T6 PolarHBondContact O-N 3.13Å; T6-V8 PolarHBondContact O-N 2.96Å; T6-V8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | K | 49.3 | Very low | 42.1 | Very low | 211 Ų | 211 | 134.9 Ų | 134.9 | 92% | 0.917 | 72% | 0.722 | S | S | * | * | trans | -79.8 | 94.7 | 164.6 | -80 | -175 | -178.5 | 175.4 | 0 | 109.1 | G5 | G5-K7 PolarHBondContact O-N 3.25Š| ||
| 8 | V | 45.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -33.5 | 130.4 | 166 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | T6 K10 | T6-V8 PolarHBondContact O-N 2.96Å; T6-V8 VanDerWaalsContact O-N 3.13Å; V8-K10 PolarHBondContact O-N 3.17Å | ||
| 9 | F | 36.5 | Very low | 41.9 | Very low | 204 Ų | 204 | 127.3 Ų | 127.3 | 90% | 0.895 | 68% | 0.683 | S | S | * | * | trans | -45.4 | 107.7 | 167.1 | -101.7 | -103.1 | 0 | 0 | 0 | 109.9 | S11 | F9-S11 PolarHBondContact O-N 3.36Š| ||
| 10 | K | 44.4 | Very low | 41.7 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | trans | -73.9 | 124.7 | 165 | -84.8 | -174.7 | 173.9 | -174.5 | 0 | 108.3 | V8 I12 | V8-K10 PolarHBondContact O-N 3.17Å; K10-I12 PolarHBondContact O-N 3.45Å | ||
| 11 | S | 39.4 | Very low | 41.7 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | trans | -55.8 | 131.2 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | F9 D13 S14 | F9-S11 PolarHBondContact O-N 3.36Å; S11-D13 PolarHBondContact O-N 3.17Å; S11-D13 PolarHBondContact OG-N 3.32Å; S11-D13 PolarHBondContact OG-OD2 3.5Å; S11-S14 PolarHBondContact O-OG 3.49Å | ||
| 12 | I | 47.5 | Very low | 41.7 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 41% | 0.405 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -66.6 | -12.9 | 177.3 | -67.6 | 165.7 | 0 | 0 | 0 | 111.3 | K10 S14 V15 Y164 | K10-I12 PolarHBondContact O-N 3.45Å; I12-S14 PolarHBondContact O-N 3.03Å; I12-V15 WeakPolarHBondContact O-CB 3.41Å; I12-V15 WeakPolarHBondContact O-CG2 3.47Å; I12-V15 PolarHBondContact O-N 3.49Å; I12-V15 VanDerWaalsContact O-N 3.14Å; I12-Y164 HydrophobicContact CD1-CE1 4.36Å |
| 13 | D | 42.3 | Very low | 41.6 | Very low | 131 Ų | 131 | 112.4 Ų | 112.4 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -68.3 | -7.3 | -177.7 | -51.6 | -32 | 0 | 0 | 0 | 113.5 | S11 | S11-D13 PolarHBondContact O-N 3.17Å; S11-D13 PolarHBondContact OG-N 3.32Å; S11-D13 PolarHBondContact OG-OD2 3.5Å |
| 14 | S | 42.1 | Very low | 41.8 | Very low | 74 Ų | 74 | 113.9 Ų | 113.9 | 52% | 0.517 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -91.5 | 1.8 | 174.7 | 64.6 | 0 | 0 | 0 | 0 | 115.1 | S11 I12 Q18 | S11-S14 PolarHBondContact O-OG 3.49Å; I12-S14 PolarHBondContact O-N 3.03Å; S14-Q18 PolarHBondContact O-NE2 3.41Å |
| 15 | V | 44 | Very low | 41.6 | Very low | 49 Ų | 49 | 113.6 Ų | 113.6 | 30% | 0.297 | 64% | 0.638 | S | S | . | * | trans | -89.5 | -15.9 | -170.9 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | I12 S17 Q18 | I12-V15 WeakPolarHBondContact O-CB 3.41Å; I12-V15 WeakPolarHBondContact O-CG2 3.47Å; I12-V15 PolarHBondContact O-N 3.49Å; I12-V15 VanDerWaalsContact O-N 3.14Å; V15-S17 VanDerWaalsContact C-N 3.27Å; V15-S17 PolarHBondContact O-N 2.93Å; V15-Q18 WeakPolarHBondContact O-CB 3.39Å; V15-Q18 PolarHBondContact O-N 2.96Å | ||
| 16 | S | 42.3 | Very low | 41.4 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 63% | 0.629 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -60 | -32.5 | -178.5 | -168.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 17 | S | 40.4 | Very low | 41.3 | Very low | 109 Ų | 109 | 115 Ų | 115 | 76% | 0.762 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -82.6 | -8 | 175.7 | -48.3 | 0 | 0 | 0 | 0 | 114.4 | V15 | V15-S17 VanDerWaalsContact C-N 3.27Å; V15-S17 PolarHBondContact O-N 2.93Å |
| 18 | Q | 41.9 | Very low | 40.9 | Very low | 74 Ų | 74 | 110.4 Ų | 110.4 | 35% | 0.346 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -88.6 | -8.8 | -174.6 | -65.5 | -179.7 | 42.5 | 0 | 0 | 113.8 | S14 V15 L20 A21 Y22 | S14-Q18 PolarHBondContact O-NE2 3.41Å; V15-Q18 WeakPolarHBondContact O-CB 3.39Å; V15-Q18 PolarHBondContact O-N 2.96Å; Q18-L20 PolarHBondContact O-N 3.04Å; Q18-A21 WeakPolarHBondContact O-CB 3.49Å; Q18-A21 PolarHBondContact O-N 3.04Å; Q18-Y22 HydrophobicContact CB-CE2 3.93Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.38Å; Q18-Y22 WeakPolarHBondContact O-CE2 3.48Å |
| 19 | S | 36.9 | Very low | 40.9 | Very low | 51 Ų | 51 | 106.7 Ų | 106.7 | 36% | 0.357 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -31.6 | 178.7 | 62.2 | 0 | 0 | 0 | 0 | 113 | ||
| 20 | L | 39.3 | Very low | 41.1 | Very low | 158 Ų | 158 | 100.2 Ų | 100.2 | 83% | 0.827 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -18.5 | 172.7 | -82.1 | 164.6 | 0 | 0 | 0 | 114.3 | Q18 | Q18-L20 PolarHBondContact O-N 3.04Š|
| 21 | A | 40.4 | Very low | 40.9 | Very low | 59 Ų | 59 | 94 Ų | 94 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q18 | Q18-A21 WeakPolarHBondContact O-CB 3.49Å; Q18-A21 PolarHBondContact O-N 3.04Å |
| 22 | Y | 37 | Very low | 40.7 | Very low | 115 Ų | 115 | 97.2 Ų | 97.2 | 45% | 0.451 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -77.3 | -21.2 | -177 | -72.9 | -76.2 | 0 | 0 | 0 | 114.2 | Q18 N24 K25 | Q18-Y22 HydrophobicContact CB-CE2 3.93Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.38Å; Q18-Y22 WeakPolarHBondContact O-CE2 3.48Å; Y22-N24 PolarHBondContact O-N 3.39Å; Y22-K25 PolarHBondContact O-N 3.34Å |
| 23 | G | 36.8 | Very low | 40.4 | Very low | 60 Ų | 60 | 103 Ų | 103 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -63 | -28.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 24 | N | 39.6 | Very low | 40.6 | Very low | 158 Ų | 158 | 104.6 Ų | 104.6 | 85% | 0.845 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -91.9 | -0.4 | -175 | -77.8 | -19.5 | 0 | 0 | 0 | 114.7 | Y22 | Y22-N24 PolarHBondContact O-N 3.39Š|
| 25 | K | 39.6 | Very low | 40.4 | Very low | 181 Ų | 181 | 104.7 Ų | 104.7 | 79% | 0.787 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -113.8 | 9.1 | -179.5 | -127.4 | 174.9 | -169.3 | 173.5 | 0 | 114.4 | Y22 I27 | Y22-K25 PolarHBondContact O-N 3.34Å; K25-I27 VanDerWaalsContact C-N 3.33Å; K25-I27 PolarHBondContact O-N 3.38Å |
| 26 | F | 39.8 | Very low | 40.3 | Very low | 87 Ų | 87 | 105.8 Ų | 105.8 | 38% | 0.382 | 59% | 0.586 | S | S | . | * | trans | -71.5 | 93.9 | 166.8 | -112.1 | -96.9 | 0 | 0 | 0 | 108.5 | Y101 L104 Q150 | F26-Y101 HydrophobicContact CZ-CD2 4.25Å; F26-Y101 HydrophobicContact CZ-CE2 4.44Å; F26-L104 HydrophobicContact CD2-CD1 4.12Å; F26-L104 HydrophobicContact CE2-CD1 3.83Å; F26-L104 HydrophobicContact CZ-CB 4.41Å; F26-L104 HydrophobicContact CZ-CD1 4.16Å; F26-Q150 VanDerWaalsContact CE1-NE2 3.31Å | ||
| 27 | I | 42.9 | Very low | 40.4 | Very low | 140 Ų | 140 | 111 Ų | 111 | 72% | 0.718 | 60% | 0.597 | S | S | * | * | trans | -48.3 | 126.4 | 169.9 | -62 | 171.2 | 0 | 0 | 0 | 106.9 | K25 M29 | K25-I27 VanDerWaalsContact C-N 3.33Å; K25-I27 PolarHBondContact O-N 3.38Å; I27-M29 PolarHBondContact O-N 3.42Å; I27-M29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | P | 41.3 | Very low | 40.4 | Very low | 114 Ų | 114 | 110 Ų | 110 | 74% | 0.74 | 58% | 0.582 | S | S | * | * | trans | -52 | 125.1 | -179.5 | 19.8 | -30.3 | 0 | 0 | 0 | 108.1 | G30 | P28-G30 PolarHBondContact O-N 2.95Š| ||
| 29 | M | 45.1 | Very low | 40.1 | Very low | 46 Ų | 46 | 112.7 Ų | 112.7 | 23% | 0.227 | 61% | 0.609 | C | S | . | * | trans | -35.8 | 126.7 | -179.8 | -68.9 | -94.7 | -65.9 | 0 | 0 | 109.6 | I27 Y31 S108 F143 | I27-M29 PolarHBondContact O-N 3.42Å; I27-M29 VanDerWaalsContact O-N 3.1Å; M29-Y31 HydrophobicContact CE-CD2 4.2Å; M29-Y31 PolarHBondContact O-N 3.41Å; M29-S108 VanDerWaalsContact CE-OG 3.24Å; M29-S108 WeakPolarHBondContact CE-OG 3.35Å; M29-S108 PolarHBondContact SD-OG 2.84Å; M29-S108 VanDerWaalsContact SD-OG 3.36Å; M29-F143 HydrophobicContact CE-CE2 3.93Å; M29-F143 HydrophobicContact CE-CZ 4.26Å | ||
| 30 | G | 40.9 | Very low | 40.6 | Very low | 68 Ų | 68 | 114.3 Ų | 114.3 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 18.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P28 H32 | P28-G30 PolarHBondContact O-N 2.95Å; G30-H32 VanDerWaalsContact C-N 3.26Å |
| 31 | Y | 39.1 | Very low | 40.6 | Very low | 64 Ų | 64 | 113.9 Ų | 113.9 | 25% | 0.251 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | 10.9 | 172.2 | -93.9 | -75.2 | 0 | 0 | 0 | 114.5 | M29 K33 E142 F143 A146 | M29-Y31 HydrophobicContact CE-CD2 4.2Å; M29-Y31 PolarHBondContact O-N 3.41Å; Y31-K33 PolarHBondContact O-N 2.92Å; Y31-E142 PolarHBondContact OH-O 3.47Å; Y31-F143 AromaticContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CE2 4.38Å; Y31-F143 WeakPolarHBondContact OH-CA 3.33Å; Y31-F143 PolarHBondContact OH-N 3.33Å; Y31-A146 HydrophobicContact CD2-CB 4.03Å; Y31-A146 HydrophobicContact CE1-CB 4.28Å; Y31-A146 HydrophobicContact CE2-CB 3.25Å; Y31-A146 WeakPolarHBondContact OH-CB 3.32Å |
| 32 | H | 36.4 | Very low | 40.3 | Very low | 135 Ų | 135 | 117.4 Ų | 117.4 | 63% | 0.625 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 67 | 178.2 | -159.6 | -85.8 | 0 | 0 | 0 | 111.3 | G30 S36 | G30-H32 VanDerWaalsContact C-N 3.26Å; H32-S36 WeakPolarHBondContact CE1-CB 3.4Å; H32-S36 WeakPolarHBondContact NE2-CB 3.05Å |
| 33 | K | 40.6 | Very low | 40.5 | Very low | 199 Ų | 199 | 119.8 Ų | 119.8 | 87% | 0.865 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.3 | 2.2 | 163.2 | -128.4 | 179.6 | -176.6 | -174.1 | 0 | 115.7 | Y31 | Y31-K33 PolarHBondContact O-N 2.92Š|
| 34 | Q | 45.8 | Very low | 40.3 | Very low | 166 Ų | 166 | 125.6 Ų | 125.6 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.8 | -12.8 | 169 | -70.1 | -165.2 | 26.5 | 0 | 0 | 116.1 | ||
| 35 | L | 39.3 | Very low | 40.3 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 39% | 0.393 | 65% | 0.649 | S | S | . | * | trans | -107.3 | 10.8 | -170.7 | -66.5 | 173.2 | 0 | 0 | 0 | 115.3 | K37 A115 | L35-K37 PolarHBondContact O-N 2.92Å; L35-A115 HydrophobicContact CD1-CB 4.24Å | ||
| 36 | S | 40.4 | Very low | 40.3 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 51% | 0.51 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | 17.8 | -174.9 | 72.2 | 0 | 0 | 0 | 0 | 116.1 | H32 | H32-S36 WeakPolarHBondContact CE1-CB 3.4Å; H32-S36 WeakPolarHBondContact NE2-CB 3.05Å |
| 37 | K | 45.3 | Very low | 40.1 | Very low | 199 Ų | 199 | 127 Ų | 127 | 87% | 0.865 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 6.5 | -174.9 | -77.2 | -173.8 | 178.1 | -179.5 | 0 | 114.5 | L35 | L35-K37 PolarHBondContact O-N 2.92Š|
| 38 | I | 40.9 | Very low | 39.7 | Very low | 88 Ų | 88 | 125 Ų | 125 | 45% | 0.451 | 67% | 0.672 | S | S | . | * | trans | -118.8 | 100.2 | -176.6 | -43.6 | -179.3 | 0 | 0 | 0 | 109.6 | V40 | I38-V40 HydrophobicContact CB-CG2 4.23Å; I38-V40 HydrophobicContact CG2-CG2 3.3Å; I38-V40 PolarHBondContact O-N 3.39Å | ||
| 39 | S | 35.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 91% | 0.909 | 68% | 0.681 | S | S | * | * | trans | -66.8 | 109.7 | 156 | -91.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 40 | V | 47.1 | Very low | 39.5 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 52% | 0.521 | 71% | 0.708 | S | S | . | * | trans | -108.9 | 108.2 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | I38 | I38-V40 HydrophobicContact CB-CG2 4.23Å; I38-V40 HydrophobicContact CG2-CG2 3.3Å; I38-V40 PolarHBondContact O-N 3.39Å | ||
| 41 | E | 37.9 | Very low | 39.6 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -53.5 | 128.1 | 166.1 | -133.8 | 178.7 | -176.1 | 0 | 0 | 109.7 | K43 | E41-K43 PolarHBondContact O-N 2.97Å; E41-K43 VanDerWaalsContact OE2-CE 3.25Å; E41-K43 WeakPolarHBondContact OE2-CE 3.46Å; E41-K43 IonicContact OE2-NZ 3.13Å | ||
| 42 | T | 34.7 | Very low | 40 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -74.6 | 96.7 | 173.5 | -56.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 43 | K | 40.5 | Very low | 40.4 | Very low | 165 Ų | 165 | 143 Ų | 143 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -94.2 | 105.2 | 165 | -67.7 | -170.6 | -179.8 | 179.6 | 0 | 108.2 | E41 S45 | E41-K43 PolarHBondContact O-N 2.97Å; E41-K43 VanDerWaalsContact OE2-CE 3.25Å; E41-K43 WeakPolarHBondContact OE2-CE 3.46Å; E41-K43 IonicContact OE2-NZ 3.13Å; K43-S45 PolarHBondContact O-N 3.33Å | ||
| 44 | E | 34.1 | Very low | 40.3 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | trans | -59.7 | 102.6 | 161.3 | -74.2 | -179.9 | 147.4 | 0 | 0 | 107.8 | Q46 | E44-Q46 PolarHBondContact O-N 3Š| ||
| 45 | S | 39.7 | Very low | 39.9 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | -86.3 | 92.5 | 164.7 | 72.3 | 0 | 0 | 0 | 0 | 108 | K43 | K43-S45 PolarHBondContact O-N 3.33Š| ||
| 46 | Q | 39.3 | Very low | 39.9 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 137.7 | 147.4 | -67.4 | -157.5 | -34.8 | 0 | 0 | 107.9 | E44 | E44-Q46 PolarHBondContact O-N 3Š| ||
| 47 | D | 35.2 | Very low | 40 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 131.8 | 133.3 | 143.3 | -148.6 | 5.9 | 0 | 0 | 0 | 116.2 | ||||
| 48 | S | 34.7 | Very low | 39.7 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 73.4 | 86.9 | 162.7 | 77.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 49 | K | 42.5 | Very low | 40 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -138.3 | 97.6 | 133.8 | -114.6 | 177.5 | -173.4 | 176.6 | 0 | 109.2 | ||||
| 50 | K | 39.6 | Very low | 40.6 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | -64.5 | 147.9 | 166.6 | -67.1 | 172.8 | 178.7 | 175.2 | 0 | 108.5 | ||||
| 51 | D | 41.9 | Very low | 40.6 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 84.8 | 77.1 | 167 | -44.2 | -30.4 | 0 | 0 | 0 | 117.8 | ||||
| 52 | L | 48.7 | Very low | 40.9 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -136.1 | 136.7 | 156.3 | -84.1 | 165.9 | 0 | 0 | 0 | 110.1 | ||||
| 53 | P | 44.2 | Very low | 41.4 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 55% | 0.545 | 75% | 0.748 | S | S | . | * | trans | -68 | 152.6 | -175.3 | 28.2 | -33.7 | 0 | 0 | 0 | 111.9 | W55 | P53-W55 PolarHBondContact O-N 3.16Š| ||
| 54 | P | 38.8 | Very low | 42 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 94.9 | -173.7 | 30.8 | -31.5 | 0 | 0 | 0 | 109.8 | P56 | P54-P56 VanDerWaalsContact O-CD 3.31Å; P54-P56 WeakPolarHBondContact O-CD 3.46Å | ||
| 55 | W | 36.6 | Very low | 43.4 | Very low | 208 Ų | 208 | 141 Ų | 141 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | -77 | 116.2 | 160.7 | -66.1 | 96.1 | 0 | 0 | 0 | 108.1 | P53 C57 | P53-W55 PolarHBondContact O-N 3.16Å; W55-C57 PolarHBondContact O-N 3.24Å | ||
| 56 | P | 39.7 | Very low | 45.2 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -78.7 | 77.3 | 174.3 | 32.5 | -30.3 | 0 | 0 | 0 | 108.4 | P54 | P54-P56 VanDerWaalsContact O-CD 3.31Å; P54-P56 WeakPolarHBondContact O-CD 3.46Å | ||
| 57 | C | 42.6 | Very low | 47.2 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 69% | 0.689 | 68% | 0.679 | S | S | * | * | trans | -106.2 | 54.5 | 170.8 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | W55 N59 | W55-C57 PolarHBondContact O-N 3.24Å; C57-N59 PolarHBondContact O-N 3.48Å | ||
| 58 | H | 39.1 | Very low | 49.5 | Very low | 180 Ų | 180 | 129.3 Ų | 129.3 | 83% | 0.833 | 67% | 0.674 | S | S | * | * | trans | -68.4 | 75.5 | 155.2 | -101.4 | -69.8 | 0 | 0 | 0 | 107.6 | P60 | H58-P60 WeakPolarHBondContact O-CD 3.28Š| ||
| 59 | N | 48.4 | Very low | 51.8 | Low | 81 Ų | 81 | 126.4 Ų | 126.4 | 43% | 0.433 | 65% | 0.651 | S | S | . | * | trans | -70 | 122.4 | 164 | -174.4 | 1.4 | 0 | 0 | 0 | 106.9 | C57 Y61 S62 | C57-N59 PolarHBondContact O-N 3.48Å; N59-Y61 PolarHBondContact O-N 3.19Å; N59-Y61 WeakPolarHBondContact OD1-CD2 3.37Å; N59-Y61 PolarHBondContact OD1-N 3.08Å; N59-S62 WeakPolarHBondContact O-CB 3.24Å; N59-S62 PolarHBondContact O-N 3.36Å; N59-S62 PolarHBondContact O-OG 3.36Å | ||
| 60 | P | 47.8 | Very low | 53.8 | Low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -2.3 | 178.3 | -20.3 | 31.7 | 0 | 0 | 0 | 114.3 | H58 | H58-P60 WeakPolarHBondContact O-CD 3.28Š|
| 61 | Y | 47.7 | Very low | 55.7 | Low | 154 Ų | 154 | 116.7 Ų | 116.7 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 13.4 | 173.5 | -59.1 | -68.6 | 0 | 0 | 0 | 114.2 | N59 F63 | N59-Y61 PolarHBondContact O-N 3.19Å; N59-Y61 WeakPolarHBondContact OD1-CD2 3.37Å; N59-Y61 PolarHBondContact OD1-N 3.08Å; Y61-F63 PolarHBondContact O-N 3.44Å; Y61-F63 VanDerWaalsContact O-N 3.15Å |
| 62 | S | 43.2 | Very low | 57.4 | Low | 77 Ų | 77 | 113.8 Ų | 113.8 | 54% | 0.538 | 60% | 0.599 | S | S | . | * | trans | -79.6 | 20.4 | -177.2 | 68.1 | 0 | 0 | 0 | 0 | 116 | N59 Q64 | N59-S62 WeakPolarHBondContact O-CB 3.24Å; N59-S62 PolarHBondContact O-N 3.36Å; N59-S62 PolarHBondContact O-OG 3.36Å; S62-Q64 PolarHBondContact O-N 2.85Å; S62-Q64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | F | 44.3 | Very low | 59 | Low | 166 Ų | 166 | 114.8 Ų | 114.8 | 73% | 0.728 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -69.9 | 109.1 | 158.9 | -68.5 | -79.5 | 0 | 0 | 0 | 106.5 | Y61 H65 | Y61-F63 PolarHBondContact O-N 3.44Å; Y61-F63 VanDerWaalsContact O-N 3.15Å; F63-H65 VanDerWaalsContact C-N 3.25Å; F63-H65 PolarHBondContact O-CD2 3.42Å; F63-H65 VanDerWaalsContact O-CD2 3.26Å; F63-H65 PolarHBondContact O-N 3.32Å |
| 64 | Q | 54.5 | Low | 60.9 | Low | 199 Ų | 199 | 113.8 Ų | 113.8 | 93% | 0.93 | 58% | 0.584 | S | S | * | * | trans | -55.8 | 87 | -178.6 | -68.3 | -161.7 | -28.4 | 0 | 0 | 110.9 | S62 S66 | S62-Q64 PolarHBondContact O-N 2.85Å; S62-Q64 VanDerWaalsContact O-N 3.12Å; Q64-S66 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact O-N 3.12Å | ||
| 65 | H | 62.6 | Low | 63.1 | Low | 73 Ų | 73 | 117.2 Ų | 117.2 | 34% | 0.338 | 59% | 0.586 | S | S | . | * | trans | -71.7 | 110.1 | 171.5 | -67.2 | -60.7 | 0 | 0 | 0 | 106.4 | F63 S67 N68 P71 | F63-H65 VanDerWaalsContact C-N 3.25Å; F63-H65 PolarHBondContact O-CD2 3.42Å; F63-H65 VanDerWaalsContact O-CD2 3.26Å; F63-H65 PolarHBondContact O-N 3.32Å; H65-S67 PolarHBondContact O-N 3.28Å; H65-N68 PolarHBondContact O-N 2.9Å; H65-P71 WeakPolarHBondContact NE2-CG 3.34Å | ||
| 66 | S | 78.7 | Confident | 65.3 | Low | 73 Ų | 73 | 110.8 Ų | 110.8 | 51% | 0.51 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51 | -21.9 | 175.8 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | Q64 S103 N106 | Q64-S66 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact O-N 3.12Å; S66-S103 WeakPolarHBondContact OG-CB 3.39Å; S66-S103 PolarHBondContact OG-OG 2.72Å; S66-N106 WeakPolarHBondContact O-CB 3.45Å; S66-N106 PolarHBondContact O-ND2 2.93Å |
| 67 | S | 80.7 | Confident | 67.4 | Low | 3 Ų | 3 | 110 Ų | 110 | 2% | 0.021 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -18.6 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 115.8 | H65 I69 N99 S103 N106 | H65-S67 PolarHBondContact O-N 3.28Å; S67-I69 PolarHBondContact O-N 3.45Å; S67-I69 PolarHBondContact OG-N 2.86Å; S67-N99 VanDerWaalsContact CB-O 3.32Å; S67-N99 WeakPolarHBondContact CB-O 3.45Å; S67-N99 VanDerWaalsContact CB-OD1 3.31Å; S67-N99 WeakPolarHBondContact CB-OD1 3.42Å; S67-N99 PolarHBondContact OG-OD1 3.43Å; S67-S103 WeakPolarHBondContact CB-OG 3.45Å; S67-S103 PolarHBondContact N-OG 3.37Å; S67-N106 VanDerWaalsContact C-ND2 3.26Å; S67-N106 PolarHBondContact O-ND2 3.32Å; S67-N106 VanDerWaalsContact O-ND2 3.15Å |
| 68 | N | 82.6 | Confident | 69.2 | Low | 135 Ų | 135 | 111.3 Ų | 111.3 | 72% | 0.722 | 56% | 0.563 | S | S | * | * | trans | 57.2 | 20.4 | -167 | -58.1 | -36.1 | 0 | 0 | 0 | 114.9 | H65 N106 | H65-N68 PolarHBondContact O-N 2.9Å; N68-N106 PolarHBondContact ND2-ND2 2.93Å | ||
| 69 | I | 84.2 | Confident | 71.4 | Confident | 36 Ų | 36 | 109.8 Ų | 109.8 | 19% | 0.185 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -101.9 | 137.2 | 178.7 | -65.7 | 170 | 0 | 0 | 0 | 110.4 | S67 W95 L98 W102 | S67-I69 PolarHBondContact O-N 3.45Å; S67-I69 PolarHBondContact OG-N 2.86Å; I69-W95 HydrophobicContact CG2-CZ2 4.17Å; I69-L98 HydrophobicContact CD1-CD2 4.02Å; I69-L98 HydrophobicContact CD1-CG 3.73Å; I69-W102 HydrophobicContact CD1-CB 3.8Å; I69-W102 HydrophobicContact CD1-CG 3.71Å |
| 70 | H | 82.8 | Confident | 73.2 | Confident | 142 Ų | 142 | 107.9 Ų | 107.9 | 66% | 0.657 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 129.5 | 175.6 | -73.1 | -79 | 0 | 0 | 0 | 112.3 | L72 W95 | H70-L72 PolarHBondContact O-N 2.92Å; H70-W95 VanDerWaalsContact O-CZ2 3.26Å; H70-W95 WeakPolarHBondContact O-CZ2 3.13Å |
| 71 | P | 79.9 | Confident | 75.3 | Confident | 51 Ų | 51 | 105.2 Ų | 105.2 | 33% | 0.331 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 118.9 | 173.2 | -28.4 | 36.7 | 0 | 0 | 0 | 113.1 | H65 W95 | H65-P71 WeakPolarHBondContact NE2-CG 3.34Å; P71-W95 HydrophobicContact CB-CH2 4.34Å |
| 72 | L | 78.3 | Confident | 77.4 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 118.6 | 175.3 | -174.3 | 58.6 | 0 | 0 | 0 | 110.4 | H70 F74 W95 | H70-L72 PolarHBondContact O-N 2.92Å; L72-F74 HydrophobicContact CB-CE2 4.3Å; L72-F74 HydrophobicContact CD2-CE1 3.78Å; L72-F74 HydrophobicContact CD2-CE2 3.83Å; L72-F74 HydrophobicContact CD2-CZ 3.3Å; L72-F74 HydrophobicContact CG-CD2 4.4Å; L72-F74 HydrophobicContact CG-CE1 4.28Å; L72-F74 HydrophobicContact CG-CE2 3.9Å; L72-F74 HydrophobicContact CG-CZ 3.85Å; L72-W95 HydrophobicContact CB-CD2 4.07Å; L72-W95 HydrophobicContact CB-CG 4.01Å; L72-W95 HydrophobicContact CD2-CG 4.44Å |
| 73 | K | 82.5 | Confident | 79.8 | Confident | 189 Ų | 189 | 101.8 Ų | 101.8 | 82% | 0.822 | 52% | 0.522 | S | S | * | . | trans | -96.2 | 110.9 | 176.2 | -64.1 | -175.2 | -178.5 | 179.1 | 0 | 110.3 | ||||
| 74 | F | 83.5 | Confident | 82.1 | Confident | 63 Ų | 63 | 95 Ų | 95 | 28% | 0.276 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 126.8 | 174 | -63.1 | -87.2 | 0 | 0 | 0 | 110.5 | L72 R88 C91 Q92 W95 | L72-F74 HydrophobicContact CB-CE2 4.3Å; L72-F74 HydrophobicContact CD2-CE1 3.78Å; L72-F74 HydrophobicContact CD2-CE2 3.83Å; L72-F74 HydrophobicContact CD2-CZ 3.3Å; L72-F74 HydrophobicContact CG-CD2 4.4Å; L72-F74 HydrophobicContact CG-CE1 4.28Å; L72-F74 HydrophobicContact CG-CE2 3.9Å; L72-F74 HydrophobicContact CG-CZ 3.85Å; F74-R88 HydrophobicContact CB-CG 4.26Å; F74-C91 HydrophobicContact CD1-CB 4.27Å; F74-C91 HydrophobicContact CE1-CB 3.44Å; F74-C91 VanDerWaalsContact CE1-CB 3.44Å; F74-C91 HydrophobicContact CZ-CB 3.65Å; F74-Q92 HydrophobicContact CB-CG 4.24Å; F74-Q92 HydrophobicContact CD2-CB 4.38Å; F74-Q92 HydrophobicContact CD2-CG 3.28Å; F74-Q92 HydrophobicContact CE2-CB 4.31Å; F74-Q92 HydrophobicContact CE2-CG 3.65Å; F74-Q92 HydrophobicContact CG-CG 3.8Å; F74-Q92 HydrophobicContact CZ-CG 4.44Å; F74-W95 HydrophobicContact CE2-CB 4.26Å; F74-W95 HydrophobicContact CZ-CB 4.41Å |
| 75 | K | 84.7 | Confident | 83.9 | Confident | 198 Ų | 198 | 89.1 Ų | 89.1 | 86% | 0.861 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -79 | 131.1 | 174.1 | -63.1 | -177.7 | -178 | -180 | 0 | 109.2 | ||
| 76 | S | 82.7 | Confident | 85.4 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 138.3 | 170.5 | -170.4 | 0 | 0 | 0 | 0 | 110.1 | E80 R88 | S76-E80 WeakPolarHBondContact CA-OE1 3.37Å; S76-E80 WeakPolarHBondContact CB-OE1 3.5Å; S76-E80 PolarHBondContact OG-OE1 3.43Å; S76-R88 PolarHBondContact OG-NH2 2.91Å |
| 77 | K | 84.1 | Confident | 86.1 | Confident | 109 Ų | 109 | 89.5 Ų | 89.5 | 47% | 0.474 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 146.1 | 169.7 | -54.4 | 176.1 | -173.9 | 170.2 | 0 | 108.8 | N79 E80 E84 | K77-N79 VanDerWaalsContact C-N 3.31Å; K77-N79 PolarHBondContact O-N 3.16Å; K77-E80 HydrophobicContact CB-CG 3.86Å; K77-E80 PolarHBondContact N-OE1 3.34Å; K77-E80 WeakPolarHBondContact O-CG 3.32Å; K77-E84 IonicContact NZ-OE1 3.31Å; K77-E84 PolarHBondContact NZ-OE1 3.05Å |
| 78 | P | 81.9 | Confident | 86.7 | Confident | 129 Ų | 129 | 91.9 Ų | 91.9 | 84% | 0.838 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -29.9 | -179.3 | 24.4 | -33.3 | 0 | 0 | 0 | 113.7 | ||
| 79 | N | 85.1 | Confident | 87.2 | Confident | 149 Ų | 149 | 87.9 Ų | 87.9 | 80% | 0.797 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.8 | 53.5 | -178.2 | -62.2 | -25.2 | 0 | 0 | 0 | 111.2 | K77 | K77-N79 VanDerWaalsContact C-N 3.31Å; K77-N79 PolarHBondContact O-N 3.16Å |
| 80 | E | 86 | Confident | 87.6 | Confident | 41 Ų | 41 | 86.8 Ų | 86.8 | 19% | 0.192 | 44% | 0.441 | C | S | . | . | trans | -66.2 | 133 | 177.5 | -78 | 170.8 | -160 | 0 | 0 | 111.1 | S76 K77 E84 R88 | S76-E80 WeakPolarHBondContact CA-OE1 3.37Å; S76-E80 WeakPolarHBondContact CB-OE1 3.5Å; S76-E80 PolarHBondContact OG-OE1 3.43Å; K77-E80 HydrophobicContact CB-CG 3.86Å; K77-E80 PolarHBondContact N-OE1 3.34Å; K77-E80 WeakPolarHBondContact O-CG 3.32Å; E80-E84 HydrophobicContact CB-CB 4.32Å; E80-E84 HydrophobicContact CG-CB 4.43Å; E80-R88 IonicContact OE1-CZ 3.66Å; E80-R88 IonicContact OE1-NE 3.57Å; E80-R88 PolarHBondContact OE1-NE 3.25Å; E80-R88 VanDerWaalsContact OE1-NE 3.13Å; E80-R88 IonicContact OE1-NH2 2.85Å; E80-R88 IonicContact OE2-CZ 3.64Å; E80-R88 VanDerWaalsContact OE2-CZ 3.31Å; E80-R88 IonicContact OE2-NE 2.8Å; E80-R88 PolarHBondContact OE2-NE 2.93Å; E80-R88 IonicContact OE2-NH2 2.86Å; E80-R88 PolarHBondContact OE2-NH2 3.43Å | ||
| 81 | T | 90.9 | Very high | 88 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | trans | -68.8 | 151.3 | 167.4 | -46.7 | 0 | 0 | 0 | 0 | 109.6 | L83 E84 L85 | T81-L83 PolarHBondContact O-N 3.1Å; T81-E84 PolarHBondContact N-OE2 2.89Å; T81-E84 WeakPolarHBondContact O-CA 3.36Å; T81-E84 WeakPolarHBondContact O-CB 3.3Å; T81-E84 PolarHBondContact O-N 3.43Å; T81-E84 PolarHBondContact OG1-OE2 2.94Å; T81-L85 PolarHBondContact O-N 3.4Å | ||
| 82 | T | 92.3 | Very high | 88.6 | Confident | 121 Ų | 121 | 81.4 Ų | 81.4 | 74% | 0.742 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -46 | -37.7 | 173.1 | -45.5 | 0 | 0 | 0 | 0 | 113.2 | K86 | T82-K86 WeakPolarHBondContact O-CB 3.47Å; T82-K86 PolarHBondContact O-N 2.86Å |
| 83 | L | 93 | Very high | 89.2 | Confident | 39 Ų | 39 | 80.8 Ų | 80.8 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.5 | -41.7 | 177.1 | -166.8 | 88.9 | 0 | 0 | 0 | 112.8 | T81 K86 Y87 L171 V172 Q175 | T81-L83 PolarHBondContact O-N 3.1Å; L83-K86 PolarHBondContact O-N 2.85Å; L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.25Å; L83-L171 HydrophobicContact CD1-CB 4.29Å; L83-L171 HydrophobicContact CD1-CD1 4.29Å; L83-L171 VanDerWaalsContact CD2-C 3.41Å; L83-L171 HydrophobicContact CD2-CB 3.72Å; L83-V172 HydrophobicContact CB-CG2 4.37Å; L83-V172 VanDerWaalsContact CD2-CA 3.48Å; L83-V172 HydrophobicContact CD2-CB 4.08Å; L83-V172 HydrophobicContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-N 3.34Å; L83-V172 HydrophobicContact CG-CG2 3.76Å; L83-Q175 HydrophobicContact CD2-CB 4.4Å |
| 84 | E | 93 | Very high | 89.6 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 175.2 | -70.5 | -179.8 | 123.4 | 0 | 0 | 111.2 | K77 E80 T81 K86 Y87 R88 V172 Q176 | K77-E84 IonicContact NZ-OE1 3.31Å; K77-E84 PolarHBondContact NZ-OE1 3.05Å; E80-E84 HydrophobicContact CB-CB 4.32Å; E80-E84 HydrophobicContact CG-CB 4.43Å; T81-E84 PolarHBondContact N-OE2 2.89Å; T81-E84 WeakPolarHBondContact O-CA 3.36Å; T81-E84 WeakPolarHBondContact O-CB 3.3Å; T81-E84 PolarHBondContact O-N 3.43Å; T81-E84 PolarHBondContact OG1-OE2 2.94Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 2.99Å; E84-Y87 PolarHBondContact O-N 3.01Å; E84-R88 WeakPolarHBondContact O-CB 3.07Å; E84-R88 PolarHBondContact O-N 3.48Å; E84-V172 HydrophobicContact CG-CG1 3.65Å; E84-V172 HydrophobicContact CG-CG2 4.19Å; E84-Q176 PolarHBondContact OE1-NE2 3.35Å |
| 85 | L | 93 | Very high | 90 | Very high | 76 Ų | 76 | 72.2 Ų | 72.2 | 40% | 0.398 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 173.9 | 178.9 | 65.5 | 0 | 0 | 0 | 110.1 | T81 Y87 R88 T89 | T81-L85 PolarHBondContact O-N 3.4Å; L85-Y87 PolarHBondContact O-N 3.24Å; L85-R88 VanDerWaalsContact CD1-NH2 3.28Å; L85-R88 PolarHBondContact O-N 3.13Å; L85-T89 WeakPolarHBondContact O-CB 3.46Å; L85-T89 PolarHBondContact O-N 2.89Å; L85-T89 PolarHBondContact O-OG1 3.49Å |
| 86 | K | 93.8 | Very high | 90.2 | Very high | 80 Ų | 80 | 69.3 Ų | 69.3 | 35% | 0.348 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 176.9 | -174.3 | 171.1 | -174.2 | 166.5 | 0 | 112.1 | T82 L83 E84 R88 T89 V90 Y164 L168 | T82-K86 WeakPolarHBondContact O-CB 3.47Å; T82-K86 PolarHBondContact O-N 2.86Å; L83-K86 PolarHBondContact O-N 2.85Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-K86 PolarHBondContact O-N 2.99Å; K86-R88 PolarHBondContact O-N 2.76Å; K86-T89 PolarHBondContact O-N 2.89Å; K86-V90 HydrophobicContact CG-CG2 4.48Å; K86-V90 WeakPolarHBondContact O-CB 3.24Å; K86-V90 WeakPolarHBondContact O-CG2 3.14Å; K86-V90 PolarHBondContact O-N 2.83Å; K86-Y164 VanDerWaalsContact CE-OH 3.23Å; K86-Y164 WeakPolarHBondContact CE-OH 3.37Å; K86-L168 HydrophobicContact CD-CD2 4.49Å; K86-L168 HydrophobicContact CG-CD1 4.46Å |
| 87 | Y | 93.8 | Very high | 90.6 | Very high | 75 Ų | 75 | 68.7 Ų | 68.7 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57 | -48.7 | 174.9 | 170 | -101.3 | 0 | 0 | 0 | 111.7 | L83 E84 L85 V90 C91 I165 L168 | L83-Y87 WeakPolarHBondContact O-CB 3.39Å; L83-Y87 PolarHBondContact O-N 3.25Å; E84-Y87 PolarHBondContact O-N 3.01Å; L85-Y87 PolarHBondContact O-N 3.24Å; Y87-V90 PolarHBondContact O-N 3.26Å; Y87-C91 WeakPolarHBondContact O-CB 3.4Å; Y87-C91 PolarHBondContact O-N 3.3Å; Y87-C91 PolarHBondContact O-SG 3.01Å; Y87-I165 HydrophobicContact CE2-CG2 3.77Å; Y87-L168 HydrophobicContact CD2-CB 3.85Å |
| 88 | R | 92.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 20% | 0.2 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 179.2 | -178 | 170.4 | 63.2 | 97.5 | -6.8 | 111.9 | F74 S76 E80 E84 L85 K86 C91 Q92 | F74-R88 HydrophobicContact CB-CG 4.26Å; S76-R88 PolarHBondContact OG-NH2 2.91Å; E80-R88 IonicContact OE1-CZ 3.66Å; E80-R88 IonicContact OE1-NE 3.57Å; E80-R88 PolarHBondContact OE1-NE 3.25Å; E80-R88 VanDerWaalsContact OE1-NE 3.13Å; E80-R88 IonicContact OE1-NH2 2.85Å; E80-R88 IonicContact OE2-CZ 3.64Å; E80-R88 VanDerWaalsContact OE2-CZ 3.31Å; E80-R88 IonicContact OE2-NE 2.8Å; E80-R88 PolarHBondContact OE2-NE 2.93Å; E80-R88 IonicContact OE2-NH2 2.86Å; E80-R88 PolarHBondContact OE2-NH2 3.43Å; E84-R88 WeakPolarHBondContact O-CB 3.07Å; E84-R88 PolarHBondContact O-N 3.48Å; L85-R88 VanDerWaalsContact CD1-NH2 3.28Å; L85-R88 PolarHBondContact O-N 3.13Å; K86-R88 PolarHBondContact O-N 2.76Å; R88-C91 PolarHBondContact O-N 2.8Å; R88-Q92 WeakPolarHBondContact O-CB 3.32Å; R88-Q92 WeakPolarHBondContact O-CG 3.45Å; R88-Q92 PolarHBondContact O-N 3.48Å |
| 89 | T | 92.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 60 Ų | 60 | 31% | 0.307 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 178.2 | -60.2 | 0 | 0 | 0 | 0 | 111.1 | L85 K86 C91 Q92 E93 | L85-T89 WeakPolarHBondContact O-CB 3.46Å; L85-T89 PolarHBondContact O-N 2.89Å; L85-T89 PolarHBondContact O-OG1 3.49Å; K86-T89 PolarHBondContact O-N 2.89Å; T89-C91 VanDerWaalsContact C-N 3.34Å; T89-C91 PolarHBondContact O-N 3.49Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.9Å; T89-E93 HydrophobicContact CG2-CG 4.29Å; T89-E93 WeakPolarHBondContact O-CB 3.21Å; T89-E93 WeakPolarHBondContact O-CG 3.36Å; T89-E93 PolarHBondContact O-N 2.92Å |
| 90 | V | 92.7 | Very high | 91.5 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | K86 Y87 T94 Y164 I165 L168 | K86-V90 HydrophobicContact CG-CG2 4.48Å; K86-V90 WeakPolarHBondContact O-CB 3.24Å; K86-V90 WeakPolarHBondContact O-CG2 3.14Å; K86-V90 PolarHBondContact O-N 2.83Å; Y87-V90 PolarHBondContact O-N 3.26Å; V90-T94 VanDerWaalsContact O-CB 3.28Å; V90-T94 WeakPolarHBondContact O-CB 3.44Å; V90-T94 PolarHBondContact O-N 3.16Å; V90-T94 PolarHBondContact O-OG1 2.89Å; V90-Y164 HydrophobicContact CG1-CD1 3.7Å; V90-Y164 HydrophobicContact CG1-CE1 3.95Å; V90-Y164 HydrophobicContact CG2-CD1 4.41Å; V90-Y164 HydrophobicContact CG2-CE1 3.8Å; V90-I165 HydrophobicContact CG1-CG1 3.78Å; V90-L168 HydrophobicContact CB-CD1 4.14Å; V90-L168 HydrophobicContact CG1-CD1 4.25Å; V90-L168 HydrophobicContact CG2-CD1 3.91Å |
| 91 | C | 91.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.9 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | F74 Y87 R88 T89 T94 W95 | F74-C91 HydrophobicContact CD1-CB 4.27Å; F74-C91 HydrophobicContact CE1-CB 3.44Å; F74-C91 VanDerWaalsContact CE1-CB 3.44Å; F74-C91 HydrophobicContact CZ-CB 3.65Å; Y87-C91 WeakPolarHBondContact O-CB 3.4Å; Y87-C91 PolarHBondContact O-N 3.3Å; Y87-C91 PolarHBondContact O-SG 3.01Å; R88-C91 PolarHBondContact O-N 2.8Å; T89-C91 VanDerWaalsContact C-N 3.34Å; T89-C91 PolarHBondContact O-N 3.49Å; C91-T94 PolarHBondContact O-N 3.18Å; C91-W95 WeakPolarHBondContact O-CB 3.45Å; C91-W95 PolarHBondContact O-N 3.4Å |
| 92 | Q | 92 | Very high | 91.7 | Very high | 71 Ų | 71 | 56.4 Ų | 56.4 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 176.7 | -77 | 177.7 | -27.5 | 0 | 0 | 112.1 | F74 R88 T89 W95 R96 | F74-Q92 HydrophobicContact CB-CG 4.24Å; F74-Q92 HydrophobicContact CD2-CB 4.38Å; F74-Q92 HydrophobicContact CD2-CG 3.28Å; F74-Q92 HydrophobicContact CE2-CB 4.31Å; F74-Q92 HydrophobicContact CE2-CG 3.65Å; F74-Q92 HydrophobicContact CG-CG 3.8Å; F74-Q92 HydrophobicContact CZ-CG 4.44Å; R88-Q92 WeakPolarHBondContact O-CB 3.32Å; R88-Q92 WeakPolarHBondContact O-CG 3.45Å; R88-Q92 PolarHBondContact O-N 3.48Å; T89-Q92 WeakPolarHBondContact O-CB 3.48Å; T89-Q92 PolarHBondContact O-N 2.9Å; Q92-W95 PolarHBondContact O-N 2.99Å; Q92-R96 WeakPolarHBondContact O-CB 3.45Å; Q92-R96 PolarHBondContact O-N 3.35Å |
| 93 | E | 91.6 | Very high | 91.6 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 177 | -73.4 | 176.6 | 169.3 | 0 | 0 | 111.4 | T89 W95 R96 W97 | T89-E93 HydrophobicContact CG2-CG 4.29Å; T89-E93 WeakPolarHBondContact O-CB 3.21Å; T89-E93 WeakPolarHBondContact O-CG 3.36Å; T89-E93 PolarHBondContact O-N 2.92Å; E93-W95 VanDerWaalsContact C-N 3.33Å; E93-W95 PolarHBondContact O-N 3.25Å; E93-R96 PolarHBondContact O-N 2.85Å; E93-W97 WeakPolarHBondContact O-CB 3.39Å; E93-W97 PolarHBondContact O-N 3.41Å |
| 94 | T | 92 | Very high | 91.4 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | V90 C91 L98 W158 I165 | V90-T94 VanDerWaalsContact O-CB 3.28Å; V90-T94 WeakPolarHBondContact O-CB 3.44Å; V90-T94 PolarHBondContact O-N 3.16Å; V90-T94 PolarHBondContact O-OG1 2.89Å; C91-T94 PolarHBondContact O-N 3.18Å; T94-L98 WeakPolarHBondContact O-CB 3.49Å; T94-L98 PolarHBondContact O-N 2.94Å; T94-W158 HydrophobicContact CG2-CE3 4.24Å; T94-W158 HydrophobicContact CG2-CZ3 3.8Å; T94-I165 HydrophobicContact CG2-CD1 3.95Å |
| 95 | W | 90.6 | Very high | 91.3 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.4 | -171.9 | 85.7 | 0 | 0 | 0 | 112 | I69 H70 P71 L72 F74 C91 Q92 E93 L98 N99 | I69-W95 HydrophobicContact CG2-CZ2 4.17Å; H70-W95 VanDerWaalsContact O-CZ2 3.26Å; H70-W95 WeakPolarHBondContact O-CZ2 3.13Å; P71-W95 HydrophobicContact CB-CH2 4.34Å; L72-W95 HydrophobicContact CB-CD2 4.07Å; L72-W95 HydrophobicContact CB-CG 4.01Å; L72-W95 HydrophobicContact CD2-CG 4.44Å; F74-W95 HydrophobicContact CE2-CB 4.26Å; F74-W95 HydrophobicContact CZ-CB 4.41Å; C91-W95 WeakPolarHBondContact O-CB 3.45Å; C91-W95 PolarHBondContact O-N 3.4Å; Q92-W95 PolarHBondContact O-N 2.99Å; E93-W95 VanDerWaalsContact C-N 3.33Å; E93-W95 PolarHBondContact O-N 3.25Å; W95-L98 WeakPolarHBondContact O-CB 3.17Å; W95-L98 PolarHBondContact O-N 3.45Å; W95-N99 HydrophobicContact CH2-CB 4.31Å; W95-N99 HydrophobicContact CZ3-CB 4.39Å; W95-N99 WeakPolarHBondContact O-CB 3.48Å; W95-N99 PolarHBondContact O-N 2.94Å |
| 96 | R | 89.7 | Confident | 91.3 | Very high | 137 Ų | 137 | 51.1 Ų | 51.1 | 52% | 0.517 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.9 | 179.6 | 178.7 | 174.8 | 168.6 | 0.7 | 111.2 | Q92 E93 L98 N99 E100 | Q92-R96 WeakPolarHBondContact O-CB 3.45Å; Q92-R96 PolarHBondContact O-N 3.35Å; E93-R96 PolarHBondContact O-N 2.85Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.42Å; R96-N99 PolarHBondContact O-N 2.86Å; R96-E100 HydrophobicContact CG-CG 4.48Å; R96-E100 WeakPolarHBondContact CG-OE1 3.35Å; R96-E100 IonicContact CZ-OE1 2.71Å; R96-E100 IonicContact NE-OE1 3.75Å; R96-E100 PolarHBondContact NE-OE1 3.14Å; R96-E100 IonicContact NH2-OE1 3.73Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 WeakPolarHBondContact O-CG 3.39Å; R96-E100 PolarHBondContact O-N 2.93Å |
| 97 | W | 90.3 | Very high | 91.1 | Very high | 60 Ų | 60 | 51.6 Ų | 51.6 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 176.1 | 172.1 | 75.9 | 0 | 0 | 0 | 112 | E93 N99 E100 Y101 F154 K157 W158 | E93-W97 WeakPolarHBondContact O-CB 3.39Å; E93-W97 PolarHBondContact O-N 3.41Å; W97-N99 PolarHBondContact O-N 2.91Å; W97-E100 PolarHBondContact O-N 3.2Å; W97-Y101 WeakPolarHBondContact O-CB 3.23Å; W97-Y101 PolarHBondContact O-N 3.49Å; W97-F154 AromaticContact CH2-CD2 3.44Å; W97-F154 HydrophobicContact CH2-CD2 3.44Å; W97-F154 VanDerWaalsContact CH2-CD2 3.44Å; W97-F154 AromaticContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CG 4.44Å; W97-F154 AromaticContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CE2 4.34Å; W97-F154 HydrophobicContact CZ3-CD2 4.2Å; W97-F154 AromaticContact CZ3-CE2 3.83Å; W97-F154 HydrophobicContact CZ3-CE2 3.83Å; W97-K157 HydrophobicContact CH2-CB 3.78Å; W97-K157 HydrophobicContact CZ2-CB 3.88Å; W97-K157 HydrophobicContact CZ2-CD 4.07Å; W97-W158 HydrophobicContact CH2-CB 4.46Å; W97-W158 HydrophobicContact CZ3-CB 4.33Å; W97-W158 HydrophobicContact CZ3-CE3 4.11Å |
| 98 | L | 91.7 | Very high | 91 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 176.7 | -177.5 | 70.8 | 0 | 0 | 0 | 111.1 | I69 T94 W95 R96 Y101 W102 F154 W158 | I69-L98 HydrophobicContact CD1-CD2 4.02Å; I69-L98 HydrophobicContact CD1-CG 3.73Å; T94-L98 WeakPolarHBondContact O-CB 3.49Å; T94-L98 PolarHBondContact O-N 2.94Å; W95-L98 WeakPolarHBondContact O-CB 3.17Å; W95-L98 PolarHBondContact O-N 3.45Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.42Å; L98-Y101 PolarHBondContact O-N 3.02Å; L98-W102 VanDerWaalsContact O-CD1 3.27Å; L98-W102 PolarHBondContact O-N 3.3Å; L98-F154 HydrophobicContact CD1-CE2 3.9Å; L98-F154 HydrophobicContact CD1-CZ 3.71Å; L98-W158 HydrophobicContact CB-CZ3 4.39Å; L98-W158 HydrophobicContact CD1-CE3 4.16Å; L98-W158 HydrophobicContact CD1-CZ3 4.07Å; L98-W158 HydrophobicContact CD2-CH2 3.94Å; L98-W158 HydrophobicContact CD2-CZ3 3.9Å; L98-W158 HydrophobicContact CG-CZ3 4.34Å |
| 99 | N | 88.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 178.1 | -178.5 | 71.5 | 0 | 0 | 0 | 112.5 | S67 W95 R96 W97 S103 | S67-N99 VanDerWaalsContact CB-O 3.32Å; S67-N99 WeakPolarHBondContact CB-O 3.45Å; S67-N99 VanDerWaalsContact CB-OD1 3.31Å; S67-N99 WeakPolarHBondContact CB-OD1 3.42Å; S67-N99 PolarHBondContact OG-OD1 3.43Å; W95-N99 HydrophobicContact CH2-CB 4.31Å; W95-N99 HydrophobicContact CZ3-CB 4.39Å; W95-N99 WeakPolarHBondContact O-CB 3.48Å; W95-N99 PolarHBondContact O-N 2.94Å; R96-N99 PolarHBondContact O-N 2.86Å; W97-N99 PolarHBondContact O-N 2.91Å; N99-S103 WeakPolarHBondContact O-CB 3.49Å; N99-S103 PolarHBondContact O-N 3.13Å; N99-S103 PolarHBondContact O-OG 2.85Å |
| 100 | E | 89.5 | Confident | 90.8 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.4 | -73.8 | 173.2 | -175.3 | 0 | 0 | 111.3 | R96 W97 W102 S103 L104 | R96-E100 HydrophobicContact CG-CG 4.48Å; R96-E100 WeakPolarHBondContact CG-OE1 3.35Å; R96-E100 IonicContact CZ-OE1 2.71Å; R96-E100 IonicContact NE-OE1 3.75Å; R96-E100 PolarHBondContact NE-OE1 3.14Å; R96-E100 IonicContact NH2-OE1 3.73Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 WeakPolarHBondContact O-CG 3.39Å; R96-E100 PolarHBondContact O-N 2.93Å; W97-E100 PolarHBondContact O-N 3.2Å; E100-W102 PolarHBondContact O-N 3.43Å; E100-S103 WeakPolarHBondContact O-CB 3.32Å; E100-S103 PolarHBondContact O-N 3.05Å; E100-L104 WeakPolarHBondContact O-CG 3.28Å; E100-L104 PolarHBondContact O-N 2.87Å |
| 101 | Y | 90.3 | Very high | 90.8 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -51.2 | 177.6 | 175.5 | -90.2 | 0 | 0 | 0 | 111.9 | F26 W97 L98 S103 L104 Y105 Q150 F154 | F26-Y101 HydrophobicContact CZ-CD2 4.25Å; F26-Y101 HydrophobicContact CZ-CE2 4.44Å; W97-Y101 WeakPolarHBondContact O-CB 3.23Å; W97-Y101 PolarHBondContact O-N 3.49Å; L98-Y101 PolarHBondContact O-N 3.02Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.41Å; Y101-L104 PolarHBondContact O-N 3.35Å; Y101-Y105 WeakPolarHBondContact O-CB 3.48Å; Y101-Y105 PolarHBondContact O-N 3.29Å; Y101-Q150 HydrophobicContact CE2-CG 4.49Å; Y101-F154 AromaticContact CD1-CD2 3.38Å; Y101-F154 HydrophobicContact CD1-CD2 3.38Å; Y101-F154 AromaticContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CG 4.17Å; Y101-F154 HydrophobicContact CD1-CZ 4.14Å; Y101-F154 AromaticContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CE2 4.36Å; Y101-F154 HydrophobicContact CD2-CG 4.45Å; Y101-F154 HydrophobicContact CE1-CB 4.25Å; Y101-F154 HydrophobicContact CE1-CD1 4.15Å; Y101-F154 AromaticContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CE1 4.4Å; Y101-F154 AromaticContact CE1-CE2 3.61Å; Y101-F154 HydrophobicContact CE1-CE2 3.61Å; Y101-F154 AromaticContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CZ 4.15Å; Y101-F154 HydrophobicContact CE2-CB 3.77Å; Y101-F154 AromaticContact CE2-CD2 3.6Å; Y101-F154 HydrophobicContact CE2-CD2 3.6Å; Y101-F154 AromaticContact CE2-CG 3.91Å; Y101-F154 HydrophobicContact CE2-CG 3.91Å; Y101-F154 AromaticContact CG-CD2 3.58Å; Y101-F154 HydrophobicContact CG-CD2 3.58Å; Y101-F154 AromaticContact CG-CE2 3.78Å; Y101-F154 HydrophobicContact CG-CE2 3.78Å; Y101-F154 AromaticContact CZ-CD2 3.42Å; Y101-F154 VanDerWaalsContact CZ-CD2 3.42Å; Y101-F154 AromaticContact CZ-CG 3.46Å; Y101-F154 VanDerWaalsContact CZ-CG 3.46Å; Y101-F154 WeakPolarHBondContact OH-CB 3.48Å |
| 102 | W | 90.3 | Very high | 90.8 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 31% | 0.314 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70 | -31.8 | -178.5 | -80.8 | 104.1 | 0 | 0 | 0 | 112.8 | I69 L98 E100 Y105 N106 F154 | I69-W102 HydrophobicContact CD1-CB 3.8Å; I69-W102 HydrophobicContact CD1-CG 3.71Å; L98-W102 VanDerWaalsContact O-CD1 3.27Å; L98-W102 PolarHBondContact O-N 3.3Å; E100-W102 PolarHBondContact O-N 3.43Å; W102-Y105 AromaticContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CG 4.35Å; W102-Y105 AromaticContact CZ3-CD1 3.62Å; W102-Y105 HydrophobicContact CZ3-CD1 3.62Å; W102-Y105 AromaticContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CG 4.37Å; W102-Y105 PolarHBondContact O-N 3.04Å; W102-N106 VanDerWaalsContact O-CB 3.3Å; W102-N106 WeakPolarHBondContact O-CB 3.39Å; W102-N106 PolarHBondContact O-N 3.17Å; W102-N106 PolarHBondContact O-ND2 3.18Å; W102-F154 AromaticContact NE1-CZ 3.79Å |
| 103 | S | 90.4 | Very high | 90.8 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 171.9 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | S66 S67 N99 E100 Y101 L107 | S66-S103 WeakPolarHBondContact OG-CB 3.39Å; S66-S103 PolarHBondContact OG-OG 2.72Å; S67-S103 WeakPolarHBondContact CB-OG 3.45Å; S67-S103 PolarHBondContact N-OG 3.37Å; N99-S103 WeakPolarHBondContact O-CB 3.49Å; N99-S103 PolarHBondContact O-N 3.13Å; N99-S103 PolarHBondContact O-OG 2.85Å; E100-S103 WeakPolarHBondContact O-CB 3.32Å; E100-S103 PolarHBondContact O-N 3.05Å; Y101-S103 VanDerWaalsContact C-N 3.34Å; Y101-S103 PolarHBondContact O-N 3.41Å; S103-L107 WeakPolarHBondContact O-CB 3.4Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-L107 VanDerWaalsContact O-N 3.09Å |
| 104 | L | 89.9 | Confident | 90.8 | Very high | 77 Ų | 77 | 57.4 Ų | 57.4 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 178.3 | -68.5 | 173.6 | 0 | 0 | 0 | 112.1 | F26 E100 Y101 L107 S108 | F26-L104 HydrophobicContact CD2-CD1 4.12Å; F26-L104 HydrophobicContact CE2-CD1 3.83Å; F26-L104 HydrophobicContact CZ-CB 4.41Å; F26-L104 HydrophobicContact CZ-CD1 4.16Å; E100-L104 WeakPolarHBondContact O-CG 3.28Å; E100-L104 PolarHBondContact O-N 2.87Å; Y101-L104 PolarHBondContact O-N 3.35Å; L104-L107 PolarHBondContact O-N 2.84Å; L104-S108 PolarHBondContact O-N 3.4Å |
| 105 | Y | 90.6 | Very high | 90.7 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 9% | 0.09 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 178.3 | -174.3 | -91.8 | 0 | 0 | 0 | 112 | Y101 W102 L107 S108 Y109 F143 | Y101-Y105 WeakPolarHBondContact O-CB 3.48Å; Y101-Y105 PolarHBondContact O-N 3.29Å; W102-Y105 AromaticContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CD1 3.84Å; W102-Y105 HydrophobicContact CE3-CG 4.35Å; W102-Y105 AromaticContact CZ3-CD1 3.62Å; W102-Y105 HydrophobicContact CZ3-CD1 3.62Å; W102-Y105 AromaticContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CE1 3.84Å; W102-Y105 HydrophobicContact CZ3-CG 4.37Å; W102-Y105 PolarHBondContact O-N 3.04Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.4Å; Y105-S108 PolarHBondContact O-N 3.28Å; Y105-S108 PolarHBondContact O-OG 3.22Å; Y105-Y109 VanDerWaalsContact O-CB 3.24Å; Y105-Y109 WeakPolarHBondContact O-CB 3.44Å; Y105-Y109 PolarHBondContact O-N 2.92Å; Y105-F143 HydrophobicContact CE1-CE1 4.3Å; Y105-F143 HydrophobicContact CE2-CE1 4.25Å; Y105-F143 AromaticContact CZ-CE1 3.74Å; Y105-F143 WeakPolarHBondContact OH-CE1 3.4Å |
| 106 | N | 92 | Very high | 90.7 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 178.3 | -69.4 | -14.7 | 0 | 0 | 0 | 111.7 | S66 S67 N68 W102 S110 | S66-N106 WeakPolarHBondContact O-CB 3.45Å; S66-N106 PolarHBondContact O-ND2 2.93Å; S67-N106 VanDerWaalsContact C-ND2 3.26Å; S67-N106 PolarHBondContact O-ND2 3.32Å; S67-N106 VanDerWaalsContact O-ND2 3.15Å; N68-N106 PolarHBondContact ND2-ND2 2.93Å; W102-N106 VanDerWaalsContact O-CB 3.3Å; W102-N106 WeakPolarHBondContact O-CB 3.39Å; W102-N106 PolarHBondContact O-N 3.17Å; W102-N106 PolarHBondContact O-ND2 3.18Å; N106-S110 WeakPolarHBondContact O-CB 3.47Å; N106-S110 PolarHBondContact O-N 3.31Å; N106-S110 PolarHBondContact O-OG 3.35Å |
| 107 | L | 91.3 | Very high | 90.8 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 172.8 | 179.3 | 64 | 0 | 0 | 0 | 111.2 | S103 L104 Y105 S110 K111 | S103-L107 WeakPolarHBondContact O-CB 3.4Å; S103-L107 PolarHBondContact O-N 2.91Å; S103-L107 VanDerWaalsContact O-N 3.09Å; L104-L107 PolarHBondContact O-N 2.84Å; Y105-L107 VanDerWaalsContact C-N 3.32Å; Y105-L107 PolarHBondContact O-N 3.4Å; L107-S110 PolarHBondContact O-N 3Å; L107-K111 WeakPolarHBondContact O-CG 3.42Å; L107-K111 PolarHBondContact O-N 2.75Å |
| 108 | S | 89.7 | Confident | 90.7 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -39.1 | -180 | 81.3 | 0 | 0 | 0 | 0 | 112.1 | M29 L104 Y105 K111 A112 | M29-S108 VanDerWaalsContact CE-OG 3.24Å; M29-S108 WeakPolarHBondContact CE-OG 3.35Å; M29-S108 PolarHBondContact SD-OG 2.84Å; M29-S108 VanDerWaalsContact SD-OG 3.36Å; L104-S108 PolarHBondContact O-N 3.4Å; Y105-S108 PolarHBondContact O-N 3.28Å; Y105-S108 PolarHBondContact O-OG 3.22Å; S108-K111 PolarHBondContact O-N 3.41Å; S108-A112 WeakPolarHBondContact O-CB 3.26Å; S108-A112 PolarHBondContact O-N 2.94Å |
| 109 | Y | 90.7 | Very high | 90.5 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 173.8 | 174.1 | -98.1 | 0 | 0 | 0 | 111.7 | Y105 K111 A112 K113 F139 H140 F143 | Y105-Y109 VanDerWaalsContact O-CB 3.24Å; Y105-Y109 WeakPolarHBondContact O-CB 3.44Å; Y105-Y109 PolarHBondContact O-N 2.92Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 2.86Å; Y109-A112 PolarHBondContact O-N 3.49Å; Y109-K113 HydrophobicContact CE1-CD 4.25Å; Y109-K113 VanDerWaalsContact O-CB 3.24Å; Y109-K113 WeakPolarHBondContact O-CB 3Å; Y109-K113 PolarHBondContact O-N 3.25Å; Y109-F139 HydrophobicContact CD2-CE1 4.28Å; Y109-F139 HydrophobicContact CD2-CZ 4.23Å; Y109-F139 AromaticContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CZ 4.01Å; Y109-H140 PolarHBondContact OH-CE1 3.48Å; Y109-F143 AromaticContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD2 4.49Å; Y109-F143 AromaticContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE2 4.19Å; Y109-F143 HydrophobicContact CD2-CG 4.37Å; Y109-F143 AromaticContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CE2-CD1 4.37Å; Y109-F143 HydrophobicContact CE2-CE1 4.42Å; Y109-F143 HydrophobicContact CG-CE1 4.47Å; Y109-F143 HydrophobicContact CG-CZ 4.31Å |
| 110 | S | 91.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 179.3 | -59 | 0 | 0 | 0 | 0 | 111.4 | N106 L107 K113 N114 | N106-S110 WeakPolarHBondContact O-CB 3.47Å; N106-S110 PolarHBondContact O-N 3.31Å; N106-S110 PolarHBondContact O-OG 3.35Å; L107-S110 PolarHBondContact O-N 3Å; S110-K113 PolarHBondContact O-N 2.9Å; S110-N114 WeakPolarHBondContact O-CB 3.48Å; S110-N114 PolarHBondContact O-N 3.35Å; S110-N114 PolarHBondContact O-ND2 2.89Å; S110-N114 PolarHBondContact O-OD1 2.98Å |
| 111 | K | 92.5 | Very high | 90.3 | Very high | 138 Ų | 138 | 57.8 Ų | 57.8 | 60% | 0.6 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.8 | -48.2 | 173.7 | -72.4 | 179.9 | 179.4 | -175.8 | 0 | 112.2 | L107 S108 Y109 K113 N114 A115 | L107-K111 WeakPolarHBondContact O-CG 3.42Å; L107-K111 PolarHBondContact O-N 2.75Å; S108-K111 PolarHBondContact O-N 3.41Å; Y109-K111 VanDerWaalsContact C-N 3.34Å; Y109-K111 PolarHBondContact O-N 2.86Å; K111-K113 VanDerWaalsContact C-N 3.35Å; K111-K113 PolarHBondContact O-N 3.34Å; K111-N114 PolarHBondContact O-N 3.3Å; K111-A115 PolarHBondContact O-N 3.25Å |
| 112 | A | 91.2 | Very high | 90 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | S108 Y109 A115 F116 F139 F143 | S108-A112 WeakPolarHBondContact O-CB 3.26Å; S108-A112 PolarHBondContact O-N 2.94Å; Y109-A112 PolarHBondContact O-N 3.49Å; A112-A115 PolarHBondContact O-N 3.45Å; A112-F116 WeakPolarHBondContact O-CB 3.26Å; A112-F116 PolarHBondContact O-N 2.92Å; A112-F139 HydrophobicContact CB-CE2 4.06Å; A112-F139 HydrophobicContact CB-CZ 4.3Å; A112-F143 HydrophobicContact CB-CD2 4.04Å; A112-F143 HydrophobicContact CB-CE2 3.85Å |
| 113 | K | 91.8 | Very high | 89.7 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.6 | -177.5 | -177.6 | 175.6 | -173.1 | 0 | 111.2 | Y109 S110 K111 F116 L117 M136 F139 | Y109-K113 HydrophobicContact CE1-CD 4.25Å; Y109-K113 VanDerWaalsContact O-CB 3.24Å; Y109-K113 WeakPolarHBondContact O-CB 3Å; Y109-K113 PolarHBondContact O-N 3.25Å; S110-K113 PolarHBondContact O-N 2.9Å; K111-K113 VanDerWaalsContact C-N 3.35Å; K111-K113 PolarHBondContact O-N 3.34Å; K113-F116 PolarHBondContact O-N 3.45Å; K113-L117 HydrophobicContact CG-CD1 4.16Å; K113-L117 WeakPolarHBondContact O-CG 3.38Å; K113-L117 PolarHBondContact O-N 3.09Å; K113-M136 HydrophobicContact CD-CE 4.38Å; K113-M136 HydrophobicContact CG-CE 4.09Å; K113-F139 VanDerWaalsContact CA-CZ 3.5Å; K113-F139 HydrophobicContact CB-CE1 3.98Å; K113-F139 HydrophobicContact CB-CE2 4.4Å; K113-F139 HydrophobicContact CB-CZ 3.71Å; K113-F139 HydrophobicContact CG-CE1 4.23Å; K113-F139 HydrophobicContact CG-CZ 4.42Å |
| 114 | N | 92 | Very high | 89.2 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 179 | -70.7 | -10.1 | 0 | 0 | 0 | 111.5 | S110 K111 F116 L117 E118 | S110-N114 WeakPolarHBondContact O-CB 3.48Å; S110-N114 PolarHBondContact O-N 3.35Å; S110-N114 PolarHBondContact O-ND2 2.89Å; S110-N114 PolarHBondContact O-OD1 2.98Å; K111-N114 PolarHBondContact O-N 3.3Å; N114-F116 VanDerWaalsContact C-N 3.34Å; N114-F116 PolarHBondContact O-N 3.38Å; N114-L117 PolarHBondContact O-N 3.22Å; N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.39Å |
| 115 | A | 91 | Very high | 88.7 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L35 K111 A112 K119 | L35-A115 HydrophobicContact CD1-CB 4.24Å; K111-A115 PolarHBondContact O-N 3.25Å; A112-A115 PolarHBondContact O-N 3.45Å; A115-K119 WeakPolarHBondContact O-CB 3.44Å; A115-K119 PolarHBondContact O-N 3.32Å |
| 116 | F | 90.9 | Very high | 88.1 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 174.4 | 177.9 | -94.1 | 0 | 0 | 0 | 111.6 | A112 K113 N114 E118 K119 E120 P134 D135 M136 F139 | A112-F116 WeakPolarHBondContact O-CB 3.26Å; A112-F116 PolarHBondContact O-N 2.92Å; K113-F116 PolarHBondContact O-N 3.45Å; N114-F116 VanDerWaalsContact C-N 3.34Å; N114-F116 PolarHBondContact O-N 3.38Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 2.95Å; F116-K119 WeakPolarHBondContact O-CB 3.37Å; F116-K119 PolarHBondContact O-N 3.45Å; F116-E120 HydrophobicContact CD1-CG 4.15Å; F116-E120 HydrophobicContact CE1-CG 3.68Å; F116-E120 HydrophobicContact CE2-CG 4.13Å; F116-E120 HydrophobicContact CZ-CG 3.66Å; F116-E120 WeakPolarHBondContact O-CG 3.5Å; F116-E120 PolarHBondContact O-N 3.47Å; F116-P134 HydrophobicContact CE1-CB 4.49Å; F116-D135 WeakPolarHBondContact CZ-O 3.49Å; F116-M136 HydrophobicContact CD1-SD 4.35Å; F116-M136 HydrophobicContact CE1-SD 4.31Å; F116-F139 HydrophobicContact CB-CD2 3.6Å; F116-F139 HydrophobicContact CB-CE2 4.14Å; F116-F139 HydrophobicContact CB-CG 4.29Å; F116-F139 HydrophobicContact CD1-CB 3.63Å; F116-F139 HydrophobicContact CD1-CD2 4.21Å; F116-F139 HydrophobicContact CD1-CG 4.06Å; F116-F139 HydrophobicContact CD2-CB 3.87Å; F116-F139 HydrophobicContact CD2-CD2 4.02Å; F116-F139 HydrophobicContact CD2-CG 4.38Å; F116-F139 HydrophobicContact CE1-CB 3.62Å; F116-F139 HydrophobicContact CE2-CB 3.86Å; F116-F139 HydrophobicContact CG-CB 3.75Å; F116-F139 AromaticContact CG-CD2 3.68Å; F116-F139 HydrophobicContact CG-CD2 3.68Å; F116-F139 AromaticContact CG-CG 3.98Å; F116-F139 HydrophobicContact CG-CG 3.98Å; F116-F139 HydrophobicContact CZ-CB 3.74Å |
| 117 | L | 89.8 | Confident | 87 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 20% | 0.199 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.2 | -72.3 | 173.5 | 0 | 0 | 0 | 111.7 | K113 N114 K119 E120 M121 P134 M136 | K113-L117 HydrophobicContact CG-CD1 4.16Å; K113-L117 WeakPolarHBondContact O-CG 3.38Å; K113-L117 PolarHBondContact O-N 3.09Å; N114-L117 PolarHBondContact O-N 3.22Å; L117-K119 PolarHBondContact O-N 3.29Å; L117-E120 PolarHBondContact O-N 2.94Å; L117-M121 VanDerWaalsContact O-CB 3.3Å; L117-M121 WeakPolarHBondContact O-CB 3.48Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.48Å; L117-P134 HydrophobicContact CD2-CB 3.88Å; L117-P134 HydrophobicContact CD2-CG 3.98Å; L117-M136 HydrophobicContact CD2-SD 3.78Å; L117-M136 HydrophobicContact CG-SD 4.46Å |
| 118 | E | 89.6 | Confident | 85.6 | Confident | 61 Ų | 61 | 76.8 Ų | 76.8 | 29% | 0.285 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.5 | -170 | -172.1 | 163.3 | 0 | 0 | 111.8 | N114 F116 K122 | N114-E118 WeakPolarHBondContact O-CB 3.36Å; N114-E118 PolarHBondContact O-N 3.39Å; F116-E118 VanDerWaalsContact C-N 3.32Å; F116-E118 PolarHBondContact O-N 2.95Å; E118-K122 HydrophobicContact CG-CD 4.48Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.31Å; E118-K122 PolarHBondContact O-N 2.87Å; E118-K122 VanDerWaalsContact OE1-CE 3.24Å; E118-K122 WeakPolarHBondContact OE1-CE 3.33Å; E118-K122 IonicContact OE1-NZ 2.65Å; E118-K122 PolarHBondContact OE1-NZ 2.88Å |
| 119 | K | 87.9 | Confident | 84.1 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 175.8 | -176.2 | -175.2 | 176.2 | -173.9 | 0 | 111.4 | A115 F116 L117 K122 N123 | A115-K119 WeakPolarHBondContact O-CB 3.44Å; A115-K119 PolarHBondContact O-N 3.32Å; F116-K119 WeakPolarHBondContact O-CB 3.37Å; F116-K119 PolarHBondContact O-N 3.45Å; L117-K119 PolarHBondContact O-N 3.29Å; K119-K122 PolarHBondContact O-N 2.97Å; K119-N123 VanDerWaalsContact O-CG 3.27Å; K119-N123 PolarHBondContact O-N 3.26Å; K119-N123 PolarHBondContact O-ND2 3.33Å |
| 120 | E | 86.9 | Confident | 82.5 | Confident | 47 Ų | 47 | 79.8 Ų | 79.8 | 22% | 0.22 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 179.2 | -70.7 | -58.2 | 107.8 | 0 | 0 | 111.7 | F116 L117 K122 N123 I124 P134 | F116-E120 HydrophobicContact CD1-CG 4.15Å; F116-E120 HydrophobicContact CE1-CG 3.68Å; F116-E120 HydrophobicContact CE2-CG 4.13Å; F116-E120 HydrophobicContact CZ-CG 3.66Å; F116-E120 WeakPolarHBondContact O-CG 3.5Å; F116-E120 PolarHBondContact O-N 3.47Å; L117-E120 PolarHBondContact O-N 2.94Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.42Å; E120-N123 WeakPolarHBondContact O-CB 3.36Å; E120-N123 PolarHBondContact O-N 2.78Å; E120-N123 PolarHBondContact OE1-ND2 3.06Å; E120-I124 WeakPolarHBondContact O-CD1 3.34Å; E120-I124 VanDerWaalsContact O-CG1 3.22Å; E120-I124 WeakPolarHBondContact O-CG1 3.31Å; E120-I124 PolarHBondContact O-N 2.89Å; E120-P134 HydrophobicContact CB-CB 3.92Å; E120-P134 HydrophobicContact CB-CG 4.14Å; E120-P134 HydrophobicContact CG-CB 4.22Å |
| 121 | M | 85.6 | Confident | 81 | Confident | 104 Ų | 104 | 86.3 Ų | 86.3 | 51% | 0.512 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 174.3 | -74.2 | 177.6 | -175 | 0 | 0 | 112.5 | L117 K125 | L117-M121 VanDerWaalsContact O-CB 3.3Å; L117-M121 WeakPolarHBondContact O-CB 3.48Å; L117-M121 WeakPolarHBondContact O-CG 3.43Å; L117-M121 PolarHBondContact O-N 3.48Å; M121-K125 WeakPolarHBondContact O-CG 3.27Å; M121-K125 PolarHBondContact O-N 3.11Å; M121-K125 VanDerWaalsContact O-N 3.1Å |
| 122 | K | 85.4 | Confident | 79.8 | Confident | 90 Ų | 90 | 86.7 Ų | 86.7 | 39% | 0.391 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 174 | -74 | 172.5 | -175.5 | 171.4 | 0 | 111.6 | E118 K119 E120 K125 N126 | E118-K122 HydrophobicContact CG-CD 4.48Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.31Å; E118-K122 PolarHBondContact O-N 2.87Å; E118-K122 VanDerWaalsContact OE1-CE 3.24Å; E118-K122 WeakPolarHBondContact OE1-CE 3.33Å; E118-K122 IonicContact OE1-NZ 2.65Å; E118-K122 PolarHBondContact OE1-NZ 2.88Å; K119-K122 PolarHBondContact O-N 2.97Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.42Å; K122-K125 PolarHBondContact O-N 3.25Å; K122-N126 PolarHBondContact O-N 2.89Å; K122-N126 PolarHBondContact O-ND2 3.34Å |
| 123 | N | 82.6 | Confident | 79.1 | Confident | 64 Ų | 64 | 93.5 Ų | 93.5 | 34% | 0.342 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177 | -68.6 | -19.6 | 0 | 0 | 0 | 112.2 | K119 E120 N126 N127 | K119-N123 VanDerWaalsContact O-CG 3.27Å; K119-N123 PolarHBondContact O-N 3.26Å; K119-N123 PolarHBondContact O-ND2 3.33Å; E120-N123 WeakPolarHBondContact O-CB 3.36Å; E120-N123 PolarHBondContact O-N 2.78Å; E120-N123 PolarHBondContact OE1-ND2 3.06Å; N123-N126 PolarHBondContact O-N 2.91Å; N123-N127 WeakPolarHBondContact O-CB 3.48Å; N123-N127 PolarHBondContact O-N 2.9Å; N123-N127 PolarHBondContact O-ND2 2.96Å |
| 124 | I | 81.5 | Confident | 78.5 | Confident | 51 Ų | 51 | 91.4 Ų | 91.4 | 26% | 0.262 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.7 | -65.5 | 157.2 | 0 | 0 | 0 | 111 | E120 N126 K132 P134 | E120-I124 WeakPolarHBondContact O-CD1 3.34Å; E120-I124 VanDerWaalsContact O-CG1 3.22Å; E120-I124 WeakPolarHBondContact O-CG1 3.31Å; E120-I124 PolarHBondContact O-N 2.89Å; I124-N126 VanDerWaalsContact C-N 3.3Å; I124-N126 PolarHBondContact O-N 3.37Å; I124-K132 WeakPolarHBondContact CD1-O 3.36Å; I124-P134 HydrophobicContact CD1-CG 4.36Å |
| 125 | K | 79.1 | Confident | 78.1 | Confident | 176 Ų | 176 | 90.6 Ų | 90.6 | 77% | 0.765 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.2 | -34.4 | 177.1 | -74.9 | 178.5 | -177.7 | -174.1 | 0 | 112.9 | M121 K122 | M121-K125 WeakPolarHBondContact O-CG 3.27Å; M121-K125 PolarHBondContact O-N 3.11Å; M121-K125 VanDerWaalsContact O-N 3.1Å; K122-K125 PolarHBondContact O-N 3.25Å |
| 126 | N | 77.7 | Confident | 78 | Confident | 131 Ų | 131 | 91.5 Ų | 91.5 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -81.6 | -32.3 | -178.9 | -66.2 | -14.3 | 0 | 0 | 0 | 112.7 | K122 N123 I124 | K122-N126 PolarHBondContact O-N 2.89Å; K122-N126 PolarHBondContact O-ND2 3.34Å; N123-N126 PolarHBondContact O-N 2.91Å; I124-N126 VanDerWaalsContact C-N 3.3Å; I124-N126 PolarHBondContact O-N 3.37Å |
| 127 | N | 68.7 | Low | 78 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | trans | -97 | 99.5 | 178.8 | -67.2 | -33.8 | 0 | 0 | 0 | 109 | N123 T129 | N123-N127 WeakPolarHBondContact O-CB 3.48Å; N123-N127 PolarHBondContact O-N 2.9Å; N123-N127 PolarHBondContact O-ND2 2.96Å; N127-T129 PolarHBondContact O-N 3.15Å | ||
| 128 | S | 62 | Low | 78 | Confident | 123 Ų | 123 | 92.2 Ų | 92.2 | 86% | 0.86 | 49% | 0.49 | S | S | * | . | trans | -59.9 | 12.7 | 178 | 44.3 | 0 | 0 | 0 | 0 | 115.8 | G130 | S128-G130 PolarHBondContact O-N 3.45Š| ||
| 129 | T | 58.1 | Low | 78.1 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -100.4 | 73.7 | -176 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | N127 | N127-T129 PolarHBondContact O-N 3.15Š|
| 130 | G | 57 | Low | 78.4 | Confident | 53 Ų | 53 | 88.4 Ų | 88.4 | 55% | 0.546 | 47% | 0.474 | S | S | . | . | trans | 75.6 | 153.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S128 K132 | S128-G130 PolarHBondContact O-N 3.45Å; G130-K132 PolarHBondContact O-N 2.99Å | ||
| 131 | H | 59.3 | Low | 78.7 | Confident | 195 Ų | 195 | 93.6 Ų | 93.6 | 90% | 0.903 | 49% | 0.491 | S | S | * | . | trans | -66 | 74.3 | 176.3 | -69.5 | -76.5 | 0 | 0 | 0 | 111.8 | L133 | H131-L133 PolarHBondContact O-N 3.12Š| ||
| 132 | K | 67.3 | Low | 78.9 | Confident | 146 Ų | 146 | 93.3 Ų | 93.3 | 64% | 0.635 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 120.8 | 170 | -66.7 | -176.8 | -176.7 | 176.2 | 0 | 108.4 | I124 G130 | I124-K132 WeakPolarHBondContact CD1-O 3.36Å; G130-K132 PolarHBondContact O-N 2.99Å |
| 133 | L | 76.1 | Confident | 79.2 | Confident | 163 Ų | 163 | 89.1 Ų | 89.1 | 85% | 0.853 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 139.6 | 169.8 | -72.4 | 161.6 | 0 | 0 | 0 | 108.7 | H131 D135 | H131-L133 PolarHBondContact O-N 3.12Å; L133-D135 PolarHBondContact O-N 2.83Å |
| 134 | P | 80.2 | Confident | 79.6 | Confident | 32 Ų | 32 | 90 Ų | 90 | 21% | 0.208 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 127.2 | 174.2 | -26.7 | 34.8 | 0 | 0 | 0 | 111.3 | F116 L117 E120 I124 M136 | F116-P134 HydrophobicContact CE1-CB 4.49Å; L117-P134 HydrophobicContact CD2-CB 3.88Å; L117-P134 HydrophobicContact CD2-CG 3.98Å; E120-P134 HydrophobicContact CB-CB 3.92Å; E120-P134 HydrophobicContact CB-CG 4.14Å; E120-P134 HydrophobicContact CG-CB 4.22Å; I124-P134 HydrophobicContact CD1-CG 4.36Å; P134-M136 VanDerWaalsContact C-N 3.34Å; P134-M136 PolarHBondContact O-N 3.43Å |
| 135 | D | 83.9 | Confident | 80.1 | Confident | 85 Ų | 85 | 94.5 Ų | 94.5 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | trans | -74.9 | 88.8 | 177.7 | -173.5 | -9.2 | 0 | 0 | 0 | 110.2 | F116 L133 G137 V138 | F116-D135 WeakPolarHBondContact CZ-O 3.49Å; L133-D135 PolarHBondContact O-N 2.83Å; D135-G137 PolarHBondContact O-N 3.26Å; D135-G137 WeakPolarHBondContact OD1-CA 3.12Å; D135-G137 PolarHBondContact OD1-N 2.68Å; D135-V138 HydrophobicContact CB-CG2 4.18Å; D135-V138 PolarHBondContact O-N 3.32Å; D135-V138 PolarHBondContact OD1-N 2.91Å; D135-V138 WeakPolarHBondContact OD2-CG2 3.43Å | ||
| 136 | M | 89.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 88.4 Ų | 88.4 | 25% | 0.246 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.9 | -22.5 | 176.6 | -69.3 | -55 | -51 | 0 | 0 | 112.9 | K113 F116 L117 P134 F139 H140 | K113-M136 HydrophobicContact CD-CE 4.38Å; K113-M136 HydrophobicContact CG-CE 4.09Å; F116-M136 HydrophobicContact CD1-SD 4.35Å; F116-M136 HydrophobicContact CE1-SD 4.31Å; L117-M136 HydrophobicContact CD2-SD 3.78Å; L117-M136 HydrophobicContact CG-SD 4.46Å; P134-M136 VanDerWaalsContact C-N 3.34Å; P134-M136 PolarHBondContact O-N 3.43Å; M136-F139 HydrophobicContact CE-CB 4.35Å; M136-F139 HydrophobicContact CE-CD1 3.53Å; M136-F139 HydrophobicContact CE-CE1 4.18Å; M136-F139 HydrophobicContact CE-CG 4.18Å; M136-F139 PolarHBondContact O-N 3.32Å; M136-H140 PolarHBondContact O-CD2 3.12Å; M136-H140 VanDerWaalsContact O-CG 3.27Å; M136-H140 PolarHBondContact O-N 2.8Å |
| 137 | G | 90.9 | Very high | 81.3 | Confident | 29 Ų | 29 | 82.3 Ų | 82.3 | 30% | 0.299 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D135 R141 | D135-G137 PolarHBondContact O-N 3.26Å; D135-G137 WeakPolarHBondContact OD1-CA 3.12Å; D135-G137 PolarHBondContact OD1-N 2.68Å; G137-R141 WeakPolarHBondContact O-CG 3.21Å; G137-R141 PolarHBondContact O-N 2.91Å; G137-R141 VanDerWaalsContact O-N 3.15Å; G137-R141 PolarHBondContact O-NE 2.62Å |
| 138 | V | 89.4 | Confident | 82.3 | Confident | 47 Ų | 47 | 84 Ų | 84 | 29% | 0.285 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.5 | -49 | 173.5 | 175.3 | 0 | 0 | 0 | 0 | 110 | D135 H140 R141 E142 | D135-V138 HydrophobicContact CB-CG2 4.18Å; D135-V138 PolarHBondContact O-N 3.32Å; D135-V138 PolarHBondContact OD1-N 2.91Å; D135-V138 WeakPolarHBondContact OD2-CG2 3.43Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.98Å; V138-R141 PolarHBondContact O-N 3.33Å; V138-E142 HydrophobicContact CG1-CG 4.38Å; V138-E142 WeakPolarHBondContact O-CG 3.37Å; V138-E142 PolarHBondContact O-N 3.32Å |
| 139 | F | 91.9 | Very high | 83.7 | Confident | 7 Ų | 7 | 86.7 Ų | 86.7 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -53.7 | -48.9 | 175.5 | 168.1 | -104.9 | 0 | 0 | 0 | 112.2 | Y109 A112 K113 F116 M136 R141 E142 F143 | Y109-F139 HydrophobicContact CD2-CE1 4.28Å; Y109-F139 HydrophobicContact CD2-CZ 4.23Å; Y109-F139 AromaticContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CE1 3.6Å; Y109-F139 HydrophobicContact CE2-CZ 4.01Å; A112-F139 HydrophobicContact CB-CE2 4.06Å; A112-F139 HydrophobicContact CB-CZ 4.3Å; K113-F139 VanDerWaalsContact CA-CZ 3.5Å; K113-F139 HydrophobicContact CB-CE1 3.98Å; K113-F139 HydrophobicContact CB-CE2 4.4Å; K113-F139 HydrophobicContact CB-CZ 3.71Å; K113-F139 HydrophobicContact CG-CE1 4.23Å; K113-F139 HydrophobicContact CG-CZ 4.42Å; F116-F139 HydrophobicContact CB-CD2 3.6Å; F116-F139 HydrophobicContact CB-CE2 4.14Å; F116-F139 HydrophobicContact CB-CG 4.29Å; F116-F139 HydrophobicContact CD1-CB 3.63Å; F116-F139 HydrophobicContact CD1-CD2 4.21Å; F116-F139 HydrophobicContact CD1-CG 4.06Å; F116-F139 HydrophobicContact CD2-CB 3.87Å; F116-F139 HydrophobicContact CD2-CD2 4.02Å; F116-F139 HydrophobicContact CD2-CG 4.38Å; F116-F139 HydrophobicContact CE1-CB 3.62Å; F116-F139 HydrophobicContact CE2-CB 3.86Å; F116-F139 HydrophobicContact CG-CB 3.75Å; F116-F139 AromaticContact CG-CD2 3.68Å; F116-F139 HydrophobicContact CG-CD2 3.68Å; F116-F139 AromaticContact CG-CG 3.98Å; F116-F139 HydrophobicContact CG-CG 3.98Å; F116-F139 HydrophobicContact CZ-CB 3.74Å; M136-F139 HydrophobicContact CE-CB 4.35Å; M136-F139 HydrophobicContact CE-CD1 3.53Å; M136-F139 HydrophobicContact CE-CE1 4.18Å; M136-F139 HydrophobicContact CE-CG 4.18Å; M136-F139 PolarHBondContact O-N 3.32Å; F139-R141 PolarHBondContact O-N 3.05Å; F139-E142 PolarHBondContact O-N 3.49Å; F139-F143 HydrophobicContact CE2-CB 4.34Å; F139-F143 HydrophobicContact CE2-CD2 4.2Å; F139-F143 HydrophobicContact CZ-CB 4.29Å; F139-F143 HydrophobicContact CZ-CD2 4.05Å; F139-F143 HydrophobicContact CZ-CG 4.24Å; F139-F143 WeakPolarHBondContact O-CB 3.49Å; F139-F143 PolarHBondContact O-N 3.16Å |
| 140 | H | 92.6 | Very high | 85.2 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 33% | 0.329 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | -178.7 | -69 | -39.8 | 0 | 0 | 0 | 112.2 | Y109 M136 V138 F143 L144 | Y109-H140 PolarHBondContact OH-CE1 3.48Å; M136-H140 PolarHBondContact O-CD2 3.12Å; M136-H140 VanDerWaalsContact O-CG 3.27Å; M136-H140 PolarHBondContact O-N 2.8Å; V138-H140 VanDerWaalsContact C-N 3.33Å; V138-H140 PolarHBondContact O-N 2.98Å; H140-F143 PolarHBondContact O-N 2.83Å; H140-L144 VanDerWaalsContact O-CB 3.31Å; H140-L144 WeakPolarHBondContact O-CB 3.24Å; H140-L144 WeakPolarHBondContact O-CG 3.43Å; H140-L144 PolarHBondContact O-N 3.31Å |
| 141 | R | 93.1 | Very high | 86.8 | Confident | 156 Ų | 156 | 84.9 Ų | 84.9 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -52.9 | 177.4 | -77.9 | -178.6 | -81 | -160.8 | -0.4 | 111.3 | G137 V138 F139 F143 L144 E145 | G137-R141 WeakPolarHBondContact O-CG 3.21Å; G137-R141 PolarHBondContact O-N 2.91Å; G137-R141 VanDerWaalsContact O-N 3.15Å; G137-R141 PolarHBondContact O-NE 2.62Å; V138-R141 PolarHBondContact O-N 3.33Å; F139-R141 PolarHBondContact O-N 3.05Å; R141-F143 PolarHBondContact O-N 2.87Å; R141-L144 PolarHBondContact O-N 3.39Å; R141-E145 WeakPolarHBondContact O-CG 3.19Å; R141-E145 PolarHBondContact O-N 3.49Å |
| 142 | E | 91.7 | Very high | 88.3 | Confident | 97 Ų | 97 | 81.2 Ų | 81.2 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56.4 | -52.5 | 177.3 | -69.5 | -179.4 | 177.8 | 0 | 0 | 110 | Y31 V138 F139 L144 E145 A146 | Y31-E142 PolarHBondContact OH-O 3.47Å; V138-E142 HydrophobicContact CG1-CG 4.38Å; V138-E142 WeakPolarHBondContact O-CG 3.37Å; V138-E142 PolarHBondContact O-N 3.32Å; F139-E142 PolarHBondContact O-N 3.49Å; E142-L144 PolarHBondContact O-N 3.04Å; E142-E145 WeakPolarHBondContact O-CB 3.31Å; E142-E145 PolarHBondContact O-N 2.88Å; E142-A146 PolarHBondContact O-N 3.43Å |
| 143 | F | 91.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 78 Ų | 78 | 1% | 0.013 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -52.8 | -43.9 | 179.7 | -168.7 | -94.5 | 0 | 0 | 0 | 111.8 | M29 Y31 Y105 Y109 A112 F139 H140 R141 N147 | M29-F143 HydrophobicContact CE-CE2 3.93Å; M29-F143 HydrophobicContact CE-CZ 4.26Å; Y31-F143 AromaticContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CD2 3.9Å; Y31-F143 HydrophobicContact CE2-CE2 4.38Å; Y31-F143 WeakPolarHBondContact OH-CA 3.33Å; Y31-F143 PolarHBondContact OH-N 3.33Å; Y105-F143 HydrophobicContact CE1-CE1 4.3Å; Y105-F143 HydrophobicContact CE2-CE1 4.25Å; Y105-F143 AromaticContact CZ-CE1 3.74Å; Y105-F143 WeakPolarHBondContact OH-CE1 3.4Å; Y109-F143 AromaticContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD1 3.93Å; Y109-F143 HydrophobicContact CD2-CD2 4.49Å; Y109-F143 AromaticContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE1 3.59Å; Y109-F143 HydrophobicContact CD2-CE2 4.19Å; Y109-F143 HydrophobicContact CD2-CG 4.37Å; Y109-F143 AromaticContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CD2-CZ 3.74Å; Y109-F143 HydrophobicContact CE2-CD1 4.37Å; Y109-F143 HydrophobicContact CE2-CE1 4.42Å; Y109-F143 HydrophobicContact CG-CE1 4.47Å; Y109-F143 HydrophobicContact CG-CZ 4.31Å; A112-F143 HydrophobicContact CB-CD2 4.04Å; A112-F143 HydrophobicContact CB-CE2 3.85Å; F139-F143 HydrophobicContact CE2-CB 4.34Å; F139-F143 HydrophobicContact CE2-CD2 4.2Å; F139-F143 HydrophobicContact CZ-CB 4.29Å; F139-F143 HydrophobicContact CZ-CD2 4.05Å; F139-F143 HydrophobicContact CZ-CG 4.24Å; F139-F143 WeakPolarHBondContact O-CB 3.49Å; F139-F143 PolarHBondContact O-N 3.16Å; H140-F143 PolarHBondContact O-N 2.83Å; R141-F143 PolarHBondContact O-N 2.87Å; F143-N147 WeakPolarHBondContact CD2-ND2 3.32Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.36Å; F143-N147 VanDerWaalsContact CE2-ND2 3.26Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.42Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.4Å; F143-N147 WeakPolarHBondContact O-CB 3.44Å; F143-N147 PolarHBondContact O-N 3.37Å; F143-N147 VanDerWaalsContact O-N 3.15Å; F143-N147 PolarHBondContact O-ND2 3.42Å |
| 144 | L | 90.6 | Very high | 90.2 | Very high | 81 Ų | 81 | 71 Ų | 71 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.6 | -37.2 | 177.9 | -70.5 | 172.2 | 0 | 0 | 0 | 112.2 | H140 R141 E142 K148 R151 | H140-L144 VanDerWaalsContact O-CB 3.31Å; H140-L144 WeakPolarHBondContact O-CB 3.24Å; H140-L144 WeakPolarHBondContact O-CG 3.43Å; H140-L144 PolarHBondContact O-N 3.31Å; R141-L144 PolarHBondContact O-N 3.39Å; E142-L144 PolarHBondContact O-N 3.04Å; L144-K148 PolarHBondContact O-N 3.03Å; L144-R151 PolarHBondContact O-NH1 3.15Å; L144-R151 PolarHBondContact O-NH2 3.01Å |
| 145 | E | 92.6 | Very high | 90.9 | Very high | 146 Ų | 146 | 72.3 Ų | 72.3 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.5 | -49.7 | 177.8 | -74.3 | -179.5 | 178.1 | 0 | 0 | 111.9 | R141 E142 N147 K148 | R141-E145 WeakPolarHBondContact O-CG 3.19Å; R141-E145 PolarHBondContact O-N 3.49Å; E142-E145 WeakPolarHBondContact O-CB 3.31Å; E142-E145 PolarHBondContact O-N 2.88Å; E145-N147 VanDerWaalsContact C-N 3.34Å; E145-N147 PolarHBondContact O-N 2.71Å; E145-K148 WeakPolarHBondContact O-CB 3.39Å; E145-K148 PolarHBondContact O-N 3.05Å |
| 146 | A | 90.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 72.2 Ų | 72.2 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.5 | -32.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y31 E142 K148 | Y31-A146 HydrophobicContact CD2-CB 4.03Å; Y31-A146 HydrophobicContact CE1-CB 4.28Å; Y31-A146 HydrophobicContact CE2-CB 3.25Å; Y31-A146 WeakPolarHBondContact OH-CB 3.32Å; E142-A146 PolarHBondContact O-N 3.43Å; A146-K148 VanDerWaalsContact C-N 3.3Å; A146-K148 PolarHBondContact O-N 2.97Å |
| 147 | N | 90.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4.6 | 177.1 | -67.1 | -72.1 | 0 | 0 | 0 | 113.5 | F143 E145 K149 Q150 R151 | F143-N147 WeakPolarHBondContact CD2-ND2 3.32Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.36Å; F143-N147 VanDerWaalsContact CE2-ND2 3.26Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.42Å; F143-N147 WeakPolarHBondContact CZ-ND2 3.4Å; F143-N147 WeakPolarHBondContact O-CB 3.44Å; F143-N147 PolarHBondContact O-N 3.37Å; F143-N147 VanDerWaalsContact O-N 3.15Å; F143-N147 PolarHBondContact O-ND2 3.42Å; E145-N147 VanDerWaalsContact C-N 3.34Å; E145-N147 PolarHBondContact O-N 2.71Å; N147-K149 PolarHBondContact O-N 3.47Å; N147-Q150 PolarHBondContact O-N 2.91Å; N147-Q150 PolarHBondContact OD1-OE1 3.09Å; N147-R151 VanDerWaalsContact C-NH1 3.3Å; N147-R151 WeakPolarHBondContact O-CG 3.39Å; N147-R151 PolarHBondContact O-N 3.47Å; N147-R151 PolarHBondContact O-NH1 3.42Å |
| 148 | K | 91.1 | Very high | 91.7 | Very high | 135 Ų | 135 | 75.9 Ų | 75.9 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -54.8 | -50.2 | -175.7 | -176 | 177.4 | -179.4 | 178.1 | 0 | 112 | L144 E145 A146 Q150 R151 M152 | L144-K148 PolarHBondContact O-N 3.03Å; E145-K148 WeakPolarHBondContact O-CB 3.39Å; E145-K148 PolarHBondContact O-N 3.05Å; A146-K148 VanDerWaalsContact C-N 3.3Å; A146-K148 PolarHBondContact O-N 2.97Å; K148-Q150 VanDerWaalsContact C-N 3.35Å; K148-Q150 PolarHBondContact O-N 2.81Å; K148-R151 PolarHBondContact O-N 3.41Å; K148-M152 VanDerWaalsContact O-CG 3.29Å; K148-M152 WeakPolarHBondContact O-CG 3.42Å; K148-M152 PolarHBondContact O-N 3.36Å |
| 149 | K | 91.6 | Very high | 91.9 | Very high | 180 Ų | 180 | 80.8 Ų | 80.8 | 78% | 0.783 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | -179.3 | -174.9 | 178.7 | 178.8 | 179.5 | 0 | 112.4 | N147 M152 D153 | N147-K149 PolarHBondContact O-N 3.47Å; K149-M152 PolarHBondContact O-N 2.84Å; K149-D153 PolarHBondContact O-N 3.32Å |
| 150 | Q | 89.1 | Confident | 92.1 | Very high | 42 Ų | 42 | 88.4 Ų | 88.4 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 178.6 | -178 | -178.7 | -8 | 0 | 0 | 111.6 | F26 Y101 N147 K148 M152 D153 F154 | F26-Q150 VanDerWaalsContact CE1-NE2 3.31Å; Y101-Q150 HydrophobicContact CE2-CG 4.49Å; N147-Q150 PolarHBondContact O-N 2.91Å; N147-Q150 PolarHBondContact OD1-OE1 3.09Å; K148-Q150 VanDerWaalsContact C-N 3.35Å; K148-Q150 PolarHBondContact O-N 2.81Å; Q150-M152 VanDerWaalsContact C-N 3.27Å; Q150-M152 PolarHBondContact O-N 3.28Å; Q150-D153 PolarHBondContact O-N 3.05Å; Q150-F154 WeakPolarHBondContact O-CB 3.4Å; Q150-F154 PolarHBondContact O-N 3.39Å |
| 151 | R | 89.3 | Confident | 92.1 | Very high | 66 Ų | 66 | 86.5 Ų | 86.5 | 25% | 0.249 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 175.2 | -69.9 | -163.3 | -50.9 | -75.9 | -0.6 | 111.9 | L144 N147 K148 F154 N155 | L144-R151 PolarHBondContact O-NH1 3.15Å; L144-R151 PolarHBondContact O-NH2 3.01Å; N147-R151 VanDerWaalsContact C-NH1 3.3Å; N147-R151 WeakPolarHBondContact O-CG 3.39Å; N147-R151 PolarHBondContact O-N 3.47Å; N147-R151 PolarHBondContact O-NH1 3.42Å; K148-R151 PolarHBondContact O-N 3.41Å; R151-F154 PolarHBondContact O-N 2.88Å; R151-N155 WeakPolarHBondContact O-CB 3.2Å; R151-N155 VanDerWaalsContact O-CG 3.27Å; R151-N155 PolarHBondContact O-N 3.41Å; R151-N155 PolarHBondContact O-ND2 3.31Å |
| 152 | M | 92.6 | Very high | 92.2 | Very high | 119 Ų | 119 | 82 Ų | 82 | 59% | 0.586 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.4 | -45.1 | 175.8 | -65.6 | -53.5 | -66.1 | 0 | 0 | 112.2 | K148 K149 Q150 N155 L156 | K148-M152 VanDerWaalsContact O-CG 3.29Å; K148-M152 WeakPolarHBondContact O-CG 3.42Å; K148-M152 PolarHBondContact O-N 3.36Å; K149-M152 PolarHBondContact O-N 2.84Å; Q150-M152 VanDerWaalsContact C-N 3.27Å; Q150-M152 PolarHBondContact O-N 3.28Å; M152-N155 PolarHBondContact O-N 3.5Å; M152-L156 WeakPolarHBondContact O-CB 3.24Å; M152-L156 PolarHBondContact O-N 3.3Å |
| 153 | D | 92 | Very high | 92.4 | Very high | 77 Ų | 77 | 82.2 Ų | 82.2 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 175.8 | -178.1 | 64.9 | 0 | 0 | 0 | 111.8 | K149 Q150 L156 K157 | K149-D153 PolarHBondContact O-N 3.32Å; Q150-D153 PolarHBondContact O-N 3.05Å; D153-L156 PolarHBondContact O-N 2.94Å; D153-K157 WeakPolarHBondContact O-CG 3.24Å; D153-K157 PolarHBondContact O-N 2.85Å; D153-K157 IonicContact OD1-NZ 3.67Å; D153-K157 WeakPolarHBondContact OD2-CE 3.44Å; D153-K157 IonicContact OD2-NZ 2.9Å; D153-K157 PolarHBondContact OD2-NZ 3.23Å |
| 154 | F | 91.2 | Very high | 92.7 | Very high | 16 Ų | 16 | 85 Ų | 85 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.5 | -54.5 | 173.6 | 167.2 | -98.9 | 0 | 0 | 0 | 111.4 | W97 L98 Y101 W102 Q150 R151 L156 K157 W158 | W97-F154 AromaticContact CH2-CD2 3.44Å; W97-F154 HydrophobicContact CH2-CD2 3.44Å; W97-F154 VanDerWaalsContact CH2-CD2 3.44Å; W97-F154 AromaticContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CE2 3.56Å; W97-F154 HydrophobicContact CH2-CG 4.44Å; W97-F154 AromaticContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CD2 3.94Å; W97-F154 HydrophobicContact CZ2-CE2 4.34Å; W97-F154 HydrophobicContact CZ3-CD2 4.2Å; W97-F154 AromaticContact CZ3-CE2 3.83Å; W97-F154 HydrophobicContact CZ3-CE2 3.83Å; L98-F154 HydrophobicContact CD1-CE2 3.9Å; L98-F154 HydrophobicContact CD1-CZ 3.71Å; Y101-F154 AromaticContact CD1-CD2 3.38Å; Y101-F154 HydrophobicContact CD1-CD2 3.38Å; Y101-F154 AromaticContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CE2 3.36Å; Y101-F154 HydrophobicContact CD1-CG 4.17Å; Y101-F154 HydrophobicContact CD1-CZ 4.14Å; Y101-F154 AromaticContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CD2 3.69Å; Y101-F154 HydrophobicContact CD2-CE2 4.36Å; Y101-F154 HydrophobicContact CD2-CG 4.45Å; Y101-F154 HydrophobicContact CE1-CB 4.25Å; Y101-F154 HydrophobicContact CE1-CD1 4.15Å; Y101-F154 AromaticContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CD2 3.31Å; Y101-F154 HydrophobicContact CE1-CE1 4.4Å; Y101-F154 AromaticContact CE1-CE2 3.61Å; Y101-F154 HydrophobicContact CE1-CE2 3.61Å; Y101-F154 AromaticContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CG 3.61Å; Y101-F154 HydrophobicContact CE1-CZ 4.15Å; Y101-F154 HydrophobicContact CE2-CB 3.77Å; Y101-F154 AromaticContact CE2-CD2 3.6Å; Y101-F154 HydrophobicContact CE2-CD2 3.6Å; Y101-F154 AromaticContact CE2-CG 3.91Å; Y101-F154 HydrophobicContact CE2-CG 3.91Å; Y101-F154 AromaticContact CG-CD2 3.58Å; Y101-F154 HydrophobicContact CG-CD2 3.58Å; Y101-F154 AromaticContact CG-CE2 3.78Å; Y101-F154 HydrophobicContact CG-CE2 3.78Å; Y101-F154 AromaticContact CZ-CD2 3.42Å; Y101-F154 VanDerWaalsContact CZ-CD2 3.42Å; Y101-F154 AromaticContact CZ-CG 3.46Å; Y101-F154 VanDerWaalsContact CZ-CG 3.46Å; Y101-F154 WeakPolarHBondContact OH-CB 3.48Å; W102-F154 AromaticContact NE1-CZ 3.79Å; Q150-F154 WeakPolarHBondContact O-CB 3.4Å; Q150-F154 PolarHBondContact O-N 3.39Å; R151-F154 PolarHBondContact O-N 2.88Å; F154-L156 VanDerWaalsContact C-N 3.28Å; F154-L156 PolarHBondContact O-N 3.1Å; F154-K157 PolarHBondContact O-N 3.47Å; F154-K157 VanDerWaalsContact O-N 3.16Å; F154-W158 HydrophobicContact CZ-CB 4.48Å; F154-W158 WeakPolarHBondContact O-CB 3.3Å; F154-W158 PolarHBondContact O-N 2.89Å |
| 155 | N | 93.7 | Very high | 92.9 | Very high | 61 Ų | 61 | 82.1 Ų | 82.1 | 33% | 0.326 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | -178.9 | -77.5 | -18.2 | 0 | 0 | 0 | 111.1 | R151 M152 K157 W158 Y159 | R151-N155 WeakPolarHBondContact O-CB 3.2Å; R151-N155 VanDerWaalsContact O-CG 3.27Å; R151-N155 PolarHBondContact O-N 3.41Å; R151-N155 PolarHBondContact O-ND2 3.31Å; M152-N155 PolarHBondContact O-N 3.5Å; N155-K157 PolarHBondContact O-N 3.45Å; N155-W158 PolarHBondContact O-N 3.3Å; N155-Y159 HydrophobicContact CB-CD2 4.39Å; N155-Y159 HydrophobicContact CB-CE2 4.23Å; N155-Y159 WeakPolarHBondContact O-CD2 3.01Å; N155-Y159 PolarHBondContact O-N 2.88Å |
| 156 | L | 94.5 | Very high | 93.1 | Very high | 83 Ų | 83 | 78.9 Ų | 78.9 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.6 | -178.6 | 62.1 | 0 | 0 | 0 | 112 | M152 D153 F154 R160 | M152-L156 WeakPolarHBondContact O-CB 3.24Å; M152-L156 PolarHBondContact O-N 3.3Å; D153-L156 PolarHBondContact O-N 2.94Å; F154-L156 VanDerWaalsContact C-N 3.28Å; F154-L156 PolarHBondContact O-N 3.1Å; L156-R160 WeakPolarHBondContact O-CB 3.31Å; L156-R160 VanDerWaalsContact O-CG 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.25Å; L156-R160 PolarHBondContact O-N 3.26Å |
| 157 | K | 94 | Very high | 93.4 | Very high | 81 Ų | 81 | 82.8 Ų | 82.8 | 35% | 0.352 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.4 | -75.2 | 172.9 | 178.2 | 160.9 | 0 | 112.1 | W97 D153 F154 N155 R160 S161 | W97-K157 HydrophobicContact CH2-CB 3.78Å; W97-K157 HydrophobicContact CZ2-CB 3.88Å; W97-K157 HydrophobicContact CZ2-CD 4.07Å; D153-K157 WeakPolarHBondContact O-CG 3.24Å; D153-K157 PolarHBondContact O-N 2.85Å; D153-K157 IonicContact OD1-NZ 3.67Å; D153-K157 WeakPolarHBondContact OD2-CE 3.44Å; D153-K157 IonicContact OD2-NZ 2.9Å; D153-K157 PolarHBondContact OD2-NZ 3.23Å; F154-K157 PolarHBondContact O-N 3.47Å; F154-K157 VanDerWaalsContact O-N 3.16Å; N155-K157 PolarHBondContact O-N 3.45Å; K157-R160 PolarHBondContact O-N 2.7Å; K157-S161 WeakPolarHBondContact O-CB 3.42Å; K157-S161 PolarHBondContact O-N 3.37Å; K157-S161 PolarHBondContact O-OG 3.01Å |
| 158 | W | 91.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 82.8 Ų | 82.8 | 28% | 0.284 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.8 | -52.8 | 176 | 175.5 | -113.9 | 0 | 0 | 0 | 111.1 | T94 W97 L98 F154 N155 R160 S161 I162 | T94-W158 HydrophobicContact CG2-CE3 4.24Å; T94-W158 HydrophobicContact CG2-CZ3 3.8Å; W97-W158 HydrophobicContact CH2-CB 4.46Å; W97-W158 HydrophobicContact CZ3-CB 4.33Å; W97-W158 HydrophobicContact CZ3-CE3 4.11Å; L98-W158 HydrophobicContact CB-CZ3 4.39Å; L98-W158 HydrophobicContact CD1-CE3 4.16Å; L98-W158 HydrophobicContact CD1-CZ3 4.07Å; L98-W158 HydrophobicContact CD2-CH2 3.94Å; L98-W158 HydrophobicContact CD2-CZ3 3.9Å; L98-W158 HydrophobicContact CG-CZ3 4.34Å; F154-W158 HydrophobicContact CZ-CB 4.48Å; F154-W158 WeakPolarHBondContact O-CB 3.3Å; F154-W158 PolarHBondContact O-N 2.89Å; N155-W158 PolarHBondContact O-N 3.3Å; W158-R160 VanDerWaalsContact C-N 3.34Å; W158-R160 PolarHBondContact O-N 2.96Å; W158-S161 PolarHBondContact O-N 3.4Å; W158-S161 VanDerWaalsContact O-N 3.11Å; W158-I162 HydrophobicContact CD2-CD1 4.48Å; W158-I162 HydrophobicContact CD2-CG1 3.97Å; W158-I162 HydrophobicContact CE3-CG1 4.36Å; W158-I162 HydrophobicContact CG-CG1 4.5Å; W158-I162 HydrophobicContact CH2-CD1 3.71Å; W158-I162 HydrophobicContact CH2-CG1 4.25Å; W158-I162 HydrophobicContact CZ2-CD1 3.62Å; W158-I162 HydrophobicContact CZ2-CG1 3.81Å; W158-I162 HydrophobicContact CZ3-CD1 4.17Å; W158-I162 WeakPolarHBondContact O-CG1 3.24Å; W158-I162 PolarHBondContact O-N 3.31Å |
| 159 | Y | 94.9 | Very high | 93.9 | Very high | 150 Ų | 150 | 78 Ų | 78 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60 | -41.9 | 178.1 | -75.3 | -59 | 0 | 0 | 0 | 112.5 | N155 S161 I162 V163 | N155-Y159 HydrophobicContact CB-CD2 4.39Å; N155-Y159 HydrophobicContact CB-CE2 4.23Å; N155-Y159 WeakPolarHBondContact O-CD2 3.01Å; N155-Y159 PolarHBondContact O-N 2.88Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.23Å; Y159-I162 PolarHBondContact O-N 2.96Å; Y159-V163 WeakPolarHBondContact O-CB 3.39Å; Y159-V163 VanDerWaalsContact O-CG2 3.24Å; Y159-V163 WeakPolarHBondContact O-CG2 3.36Å; Y159-V163 PolarHBondContact O-N 2.89Å |
| 160 | R | 95.3 | Very high | 94.1 | Very high | 166 Ų | 166 | 73.7 Ų | 73.7 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 175.1 | -75.8 | 173.4 | 176 | -178.9 | -0.4 | 112.2 | L156 K157 W158 Y164 | L156-R160 WeakPolarHBondContact O-CB 3.31Å; L156-R160 VanDerWaalsContact O-CG 3.27Å; L156-R160 WeakPolarHBondContact O-CG 3.25Å; L156-R160 PolarHBondContact O-N 3.26Å; K157-R160 PolarHBondContact O-N 2.7Å; W158-R160 VanDerWaalsContact C-N 3.34Å; W158-R160 PolarHBondContact O-N 2.96Å; R160-Y164 WeakPolarHBondContact O-CB 3.37Å; R160-Y164 PolarHBondContact O-N 3.33Å |
| 161 | S | 93.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 74.3 Ų | 74.3 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 179.3 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | K157 W158 Y159 Y164 I165 | K157-S161 WeakPolarHBondContact O-CB 3.42Å; K157-S161 PolarHBondContact O-N 3.37Å; K157-S161 PolarHBondContact O-OG 3.01Å; W158-S161 PolarHBondContact O-N 3.4Å; W158-S161 VanDerWaalsContact O-N 3.11Å; Y159-S161 VanDerWaalsContact C-N 3.31Å; Y159-S161 PolarHBondContact O-N 3.23Å; S161-Y164 PolarHBondContact O-N 3.07Å; S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.41Å; S161-I165 PolarHBondContact O-N 3.45Å |
| 162 | I | 95 | Very high | 94.7 | Very high | 60 Ų | 60 | 71.5 Ų | 71.5 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 176.5 | -67.8 | -57.3 | 0 | 0 | 0 | 111.7 | W158 Y159 Y164 I165 V166 | W158-I162 HydrophobicContact CD2-CD1 4.48Å; W158-I162 HydrophobicContact CD2-CG1 3.97Å; W158-I162 HydrophobicContact CE3-CG1 4.36Å; W158-I162 HydrophobicContact CG-CG1 4.5Å; W158-I162 HydrophobicContact CH2-CD1 3.71Å; W158-I162 HydrophobicContact CH2-CG1 4.25Å; W158-I162 HydrophobicContact CZ2-CD1 3.62Å; W158-I162 HydrophobicContact CZ2-CG1 3.81Å; W158-I162 HydrophobicContact CZ3-CD1 4.17Å; W158-I162 WeakPolarHBondContact O-CG1 3.24Å; W158-I162 PolarHBondContact O-N 3.31Å; Y159-I162 PolarHBondContact O-N 2.96Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 3.04Å; I162-I165 PolarHBondContact O-N 3.42Å; I162-V166 HydrophobicContact CG2-CG2 4.39Å; I162-V166 VanDerWaalsContact O-CG2 3.31Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3Å |
| 163 | V | 96.6 | Very high | 94.7 | Very high | 103 Ų | 103 | 70 Ų | 70 | 62% | 0.624 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | Y159 V166 Y167 | Y159-V163 WeakPolarHBondContact O-CB 3.39Å; Y159-V163 VanDerWaalsContact O-CG2 3.24Å; Y159-V163 WeakPolarHBondContact O-CG2 3.36Å; Y159-V163 PolarHBondContact O-N 2.89Å; V163-V166 PolarHBondContact O-N 2.97Å; V163-Y167 WeakPolarHBondContact O-CB 3.34Å; V163-Y167 PolarHBondContact O-N 3.49Å |
| 164 | Y | 96 | Very high | 94.9 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 178.2 | -173.3 | -121.6 | 0 | 0 | 0 | 113 | I12 K86 V90 R160 S161 I162 Y167 L168 | I12-Y164 HydrophobicContact CD1-CE1 4.36Å; K86-Y164 VanDerWaalsContact CE-OH 3.23Å; K86-Y164 WeakPolarHBondContact CE-OH 3.37Å; V90-Y164 HydrophobicContact CG1-CD1 3.7Å; V90-Y164 HydrophobicContact CG1-CE1 3.95Å; V90-Y164 HydrophobicContact CG2-CD1 4.41Å; V90-Y164 HydrophobicContact CG2-CE1 3.8Å; R160-Y164 WeakPolarHBondContact O-CB 3.37Å; R160-Y164 PolarHBondContact O-N 3.33Å; S161-Y164 PolarHBondContact O-N 3.07Å; I162-Y164 VanDerWaalsContact C-N 3.26Å; I162-Y164 PolarHBondContact O-N 3.04Å; Y164-Y167 HydrophobicContact CD2-CD1 4.21Å; Y164-Y167 HydrophobicContact CE2-CD1 4.2Å; Y164-Y167 WeakPolarHBondContact O-CB 3.23Å; Y164-Y167 PolarHBondContact O-N 3.38Å; Y164-L168 HydrophobicContact CD1-CD1 4.04Å; Y164-L168 HydrophobicContact CE1-CD1 3.56Å; Y164-L168 HydrophobicContact CE1-CG 4.3Å; Y164-L168 HydrophobicContact CE2-CD1 4.38Å; Y164-L168 HydrophobicContact CE2-CG 4.25Å; Y164-L168 WeakPolarHBondContact O-CG 3.26Å; Y164-L168 PolarHBondContact O-N 3.44Å |
| 165 | I | 95.5 | Very high | 94.9 | Very high | 22 Ų | 22 | 73.9 Ų | 73.9 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.1 | -73.9 | 168.4 | 0 | 0 | 0 | 110.7 | Y87 V90 T94 S161 I162 L168 S169 | Y87-I165 HydrophobicContact CE2-CG2 3.77Å; V90-I165 HydrophobicContact CG1-CG1 3.78Å; T94-I165 HydrophobicContact CG2-CD1 3.95Å; S161-I165 VanDerWaalsContact O-CG1 3.31Å; S161-I165 WeakPolarHBondContact O-CG1 3.41Å; S161-I165 PolarHBondContact O-N 3.45Å; I162-I165 PolarHBondContact O-N 3.42Å; I165-L168 PolarHBondContact O-N 3.47Å; I165-S169 WeakPolarHBondContact O-CB 2.99Å; I165-S169 PolarHBondContact O-N 3.3Å |
| 166 | V | 97.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | I162 V163 L168 S169 I170 | I162-V166 HydrophobicContact CG2-CG2 4.39Å; I162-V166 VanDerWaalsContact O-CG2 3.31Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3Å; V163-V166 PolarHBondContact O-N 2.97Å; V166-L168 PolarHBondContact O-N 3.27Å; V166-S169 WeakPolarHBondContact O-CB 3.04Å; V166-S169 PolarHBondContact O-N 2.91Å; V166-I170 HydrophobicContact CG1-CD1 3.97Å; V166-I170 WeakPolarHBondContact O-CG1 3.49Å; V166-I170 PolarHBondContact O-N 3.42Å |
| 167 | Y | 96.7 | Very high | 94.7 | Very high | 130 Ų | 130 | 75.1 Ų | 75.1 | 51% | 0.51 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 175 | 169.2 | -103.7 | 0 | 0 | 0 | 112.1 | V163 Y164 S169 I170 L171 | V163-Y167 WeakPolarHBondContact O-CB 3.34Å; V163-Y167 PolarHBondContact O-N 3.49Å; Y164-Y167 HydrophobicContact CD2-CD1 4.21Å; Y164-Y167 HydrophobicContact CE2-CD1 4.2Å; Y164-Y167 WeakPolarHBondContact O-CB 3.23Å; Y164-Y167 PolarHBondContact O-N 3.38Å; Y167-S169 PolarHBondContact O-N 3.49Å; Y167-I170 PolarHBondContact O-N 2.76Å; Y167-L171 HydrophobicContact CD1-CD1 4.16Å; Y167-L171 HydrophobicContact CE1-CD1 3.49Å; Y167-L171 VanDerWaalsContact CE1-CD1 3.49Å; Y167-L171 HydrophobicContact CE1-CG 4.38Å; Y167-L171 HydrophobicContact CE2-CD1 4.15Å; Y167-L171 HydrophobicContact CE2-CG 4.29Å; Y167-L171 WeakPolarHBondContact O-CG 3.18Å; Y167-L171 PolarHBondContact O-N 2.81Å; Y167-L171 VanDerWaalsContact O-N 3.09Å |
| 168 | L | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 176.9 | -73.6 | 176.1 | 0 | 0 | 0 | 112.3 | K86 Y87 V90 Y164 I165 V166 I170 L171 V172 | K86-L168 HydrophobicContact CD-CD2 4.49Å; K86-L168 HydrophobicContact CG-CD1 4.46Å; Y87-L168 HydrophobicContact CD2-CB 3.85Å; V90-L168 HydrophobicContact CB-CD1 4.14Å; V90-L168 HydrophobicContact CG1-CD1 4.25Å; V90-L168 HydrophobicContact CG2-CD1 3.91Å; Y164-L168 HydrophobicContact CD1-CD1 4.04Å; Y164-L168 HydrophobicContact CE1-CD1 3.56Å; Y164-L168 HydrophobicContact CE1-CG 4.3Å; Y164-L168 HydrophobicContact CE2-CD1 4.38Å; Y164-L168 HydrophobicContact CE2-CG 4.25Å; Y164-L168 WeakPolarHBondContact O-CG 3.26Å; Y164-L168 PolarHBondContact O-N 3.44Å; I165-L168 PolarHBondContact O-N 3.47Å; V166-L168 PolarHBondContact O-N 3.27Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.77Å; L168-L171 HydrophobicContact CD2-CD1 4.47Å; L168-L171 PolarHBondContact O-N 2.9Å; L168-V172 WeakPolarHBondContact O-CG2 3.24Å; L168-V172 PolarHBondContact O-N 2.71Å |
| 169 | S | 94.9 | Very high | 94.5 | Very high | 34 Ų | 34 | 80.5 Ų | 80.5 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 175.6 | -167.4 | 0 | 0 | 0 | 0 | 110.9 | I165 V166 Y167 L171 V172 D173 | I165-S169 WeakPolarHBondContact O-CB 2.99Å; I165-S169 PolarHBondContact O-N 3.3Å; V166-S169 WeakPolarHBondContact O-CB 3.04Å; V166-S169 PolarHBondContact O-N 2.91Å; Y167-S169 PolarHBondContact O-N 3.49Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.94Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-V172 VanDerWaalsContact O-N 3.16Å; S169-D173 VanDerWaalsContact O-CG 3.24Å; S169-D173 PolarHBondContact O-N 3.17Å |
| 170 | I | 97 | Very high | 94.2 | Very high | 90 Ų | 90 | 82.7 Ų | 82.7 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 178.2 | -66.8 | 165 | 0 | 0 | 0 | 110.6 | V166 Y167 L168 V172 D173 L174 | V166-I170 HydrophobicContact CG1-CD1 3.97Å; V166-I170 WeakPolarHBondContact O-CG1 3.49Å; V166-I170 PolarHBondContact O-N 3.42Å; Y167-I170 PolarHBondContact O-N 2.76Å; L168-I170 VanDerWaalsContact C-N 3.34Å; L168-I170 PolarHBondContact O-N 2.77Å; I170-V172 VanDerWaalsContact C-N 3.33Å; I170-V172 PolarHBondContact O-N 3.4Å; I170-D173 PolarHBondContact O-N 3.24Å; I170-L174 HydrophobicContact CG2-CD1 4.06Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CB 3.41Å; I170-L174 VanDerWaalsContact O-CG 3.26Å; I170-L174 WeakPolarHBondContact O-CG 3.29Å; I170-L174 PolarHBondContact O-N 2.98Å |
| 171 | L | 95.8 | Very high | 94.1 | Very high | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.6 | -70.1 | 179.3 | 0 | 0 | 0 | 112.3 | L83 Y167 L168 S169 L174 Q175 | L83-L171 HydrophobicContact CD1-CB 4.29Å; L83-L171 HydrophobicContact CD1-CD1 4.29Å; L83-L171 VanDerWaalsContact CD2-C 3.41Å; L83-L171 HydrophobicContact CD2-CB 3.72Å; Y167-L171 HydrophobicContact CD1-CD1 4.16Å; Y167-L171 HydrophobicContact CE1-CD1 3.49Å; Y167-L171 VanDerWaalsContact CE1-CD1 3.49Å; Y167-L171 HydrophobicContact CE1-CG 4.38Å; Y167-L171 HydrophobicContact CE2-CD1 4.15Å; Y167-L171 HydrophobicContact CE2-CG 4.29Å; Y167-L171 WeakPolarHBondContact O-CG 3.18Å; Y167-L171 PolarHBondContact O-N 2.81Å; Y167-L171 VanDerWaalsContact O-N 3.09Å; L168-L171 HydrophobicContact CD2-CD1 4.47Å; L168-L171 PolarHBondContact O-N 2.9Å; S169-L171 VanDerWaalsContact C-N 3.32Å; S169-L171 PolarHBondContact O-N 2.94Å; L171-L174 PolarHBondContact O-N 2.65Å; L171-Q175 WeakPolarHBondContact O-CB 3.36Å; L171-Q175 PolarHBondContact O-N 3.42Å |
| 172 | V | 94 | Very high | 93.8 | Very high | 8 Ų | 8 | 84 Ų | 84 | 5% | 0.048 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 178 | 166.6 | 0 | 0 | 0 | 0 | 110.5 | L83 E84 L168 S169 I170 Q175 Q176 | L83-V172 HydrophobicContact CB-CG2 4.37Å; L83-V172 VanDerWaalsContact CD2-CA 3.48Å; L83-V172 HydrophobicContact CD2-CB 4.08Å; L83-V172 HydrophobicContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-CG2 3.45Å; L83-V172 VanDerWaalsContact CD2-N 3.34Å; L83-V172 HydrophobicContact CG-CG2 3.76Å; E84-V172 HydrophobicContact CG-CG1 3.65Å; E84-V172 HydrophobicContact CG-CG2 4.19Å; L168-V172 WeakPolarHBondContact O-CG2 3.24Å; L168-V172 PolarHBondContact O-N 2.71Å; S169-V172 PolarHBondContact O-N 3.43Å; S169-V172 VanDerWaalsContact O-N 3.16Å; I170-V172 VanDerWaalsContact C-N 3.33Å; I170-V172 PolarHBondContact O-N 3.4Å; V172-Q175 PolarHBondContact O-N 3.47Å; V172-Q176 WeakPolarHBondContact O-CG 3.47Å; V172-Q176 PolarHBondContact O-N 3.36Å |
| 173 | D | 93.7 | Very high | 93.5 | Very high | 88 Ų | 88 | 83.4 Ų | 83.4 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 178 | -66.5 | -25.9 | 0 | 0 | 0 | 111.2 | S169 I170 Q175 Q176 L177 | S169-D173 VanDerWaalsContact O-CG 3.24Å; S169-D173 PolarHBondContact O-N 3.17Å; I170-D173 PolarHBondContact O-N 3.24Å; D173-Q175 PolarHBondContact O-N 3.02Å; D173-Q176 PolarHBondContact O-N 3.35Å; D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 PolarHBondContact O-N 2.92Å |
| 174 | L | 95.1 | Very high | 93 | Very high | 99 Ų | 99 | 86.1 Ų | 86.1 | 52% | 0.518 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 174.1 | -72.5 | 174.7 | 0 | 0 | 0 | 112 | I170 L171 L177 Y178 | I170-L174 HydrophobicContact CG2-CD1 4.06Å; I170-L174 HydrophobicContact CG2-CG 4.38Å; I170-L174 WeakPolarHBondContact O-CB 3.41Å; I170-L174 VanDerWaalsContact O-CG 3.26Å; I170-L174 WeakPolarHBondContact O-CG 3.29Å; I170-L174 PolarHBondContact O-N 2.98Å; L171-L174 PolarHBondContact O-N 2.65Å; L174-L177 PolarHBondContact O-N 3.29Å; L174-Y178 VanDerWaalsContact O-CB 3.3Å; L174-Y178 WeakPolarHBondContact O-CB 3.14Å; L174-Y178 PolarHBondContact O-N 3.12Å |
| 175 | Q | 92.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 89 Ų | 89 | 35% | 0.35 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 177.3 | -178 | 172.5 | 4.7 | 0 | 0 | 111.9 | L83 L171 V172 D173 L177 Y178 H179 | L83-Q175 HydrophobicContact CD2-CB 4.4Å; L171-Q175 WeakPolarHBondContact O-CB 3.36Å; L171-Q175 PolarHBondContact O-N 3.42Å; V172-Q175 PolarHBondContact O-N 3.47Å; D173-Q175 PolarHBondContact O-N 3.02Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; Q175-Y178 PolarHBondContact O-N 2.89Å; Q175-H179 PolarHBondContact O-N 2.96Å |
| 176 | Q | 90.2 | Very high | 91.7 | Very high | 87 Ų | 87 | 90.7 Ų | 90.7 | 41% | 0.407 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176 | -71.3 | -179.8 | 41.9 | 0 | 0 | 111.2 | E84 V172 D173 H179 R180 | E84-Q176 PolarHBondContact OE1-NE2 3.35Å; V172-Q176 WeakPolarHBondContact O-CG 3.47Å; V172-Q176 PolarHBondContact O-N 3.36Å; D173-Q176 PolarHBondContact O-N 3.35Å; Q176-H179 PolarHBondContact O-N 3.47Å; Q176-R180 WeakPolarHBondContact O-CB 3.48Å; Q176-R180 PolarHBondContact O-N 3.15Å |
| 177 | L | 93.2 | Very high | 90.7 | Very high | 82 Ų | 82 | 90.2 Ų | 90.2 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.8 | -174.5 | 62.3 | 0 | 0 | 0 | 111 | D173 L174 Q175 R180 F181 | D173-L177 WeakPolarHBondContact O-CB 3.42Å; D173-L177 PolarHBondContact O-N 2.92Å; L174-L177 PolarHBondContact O-N 3.29Å; Q175-L177 VanDerWaalsContact C-N 3.32Å; L177-R180 PolarHBondContact O-N 2.96Å; L177-F181 HydrophobicContact CD1-CD2 3.87Å; L177-F181 HydrophobicContact CD1-CE2 3.37Å; L177-F181 HydrophobicContact CD1-CZ 4.22Å; L177-F181 HydrophobicContact CD2-CE2 4.06Å; L177-F181 HydrophobicContact CG-CD2 3.75Å; L177-F181 HydrophobicContact CG-CE2 3.49Å; L177-F181 VanDerWaalsContact CG-CE2 3.49Å; L177-F181 WeakPolarHBondContact O-CD2 3.13Å; L177-F181 PolarHBondContact O-N 3.47Å |
| 178 | Y | 92.4 | Very high | 89.7 | Confident | 130 Ų | 130 | 89.6 Ų | 89.6 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.8 | -53.7 | 173.5 | 179.4 | -87.3 | 0 | 0 | 0 | 110.9 | L174 Q175 R180 F181 Y182 | L174-Y178 VanDerWaalsContact O-CB 3.3Å; L174-Y178 WeakPolarHBondContact O-CB 3.14Å; L174-Y178 PolarHBondContact O-N 3.12Å; Q175-Y178 PolarHBondContact O-N 2.89Å; Y178-R180 VanDerWaalsContact C-N 3.27Å; Y178-R180 PolarHBondContact O-N 2.82Å; Y178-F181 PolarHBondContact O-N 2.66Å; Y178-Y182 AromaticContact CD1-CD2 3.69Å; Y178-Y182 HydrophobicContact CD1-CD2 3.69Å; Y178-Y182 AromaticContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CG 4.33Å; Y178-Y182 AromaticContact CD2-CD2 3.78Å; Y178-Y182 HydrophobicContact CD2-CD2 3.78Å; Y178-Y182 AromaticContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CE1-CD1 4.32Å; Y178-Y182 AromaticContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CE1 4.29Å; Y178-Y182 AromaticContact CE1-CE2 3.56Å; Y178-Y182 HydrophobicContact CE1-CE2 3.56Å; Y178-Y182 AromaticContact CE1-CG 3.94Å; Y178-Y182 HydrophobicContact CE1-CG 3.94Å; Y178-Y182 AromaticContact CE1-CZ 3.91Å; Y178-Y182 AromaticContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CE1 4.35Å; Y178-Y182 AromaticContact CE2-CE2 2.88Å; Y178-Y182 HydrophobicContact CE2-CE2 2.88Å; Y178-Y182 AromaticContact CE2-CZ 3.26Å; Y178-Y182 VanDerWaalsContact CE2-OH 3.24Å; Y178-Y182 WeakPolarHBondContact CE2-OH 3.31Å; Y178-Y182 AromaticContact CG-CD2 3.8Å; Y178-Y182 HydrophobicContact CG-CD2 3.8Å; Y178-Y182 AromaticContact CG-CE2 3.83Å; Y178-Y182 HydrophobicContact CG-CE2 3.83Å; Y178-Y182 AromaticContact CZ-CD2 3.53Å; Y178-Y182 AromaticContact CZ-CE1 3.77Å; Y178-Y182 AromaticContact CZ-CE2 3.01Å; Y178-Y182 AromaticContact CZ-CZ 3.09Å; Y178-Y182 VanDerWaalsContact O-CD2 3.24Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.13Å; Y178-Y182 PolarHBondContact O-N 2.95Å; Y178-Y182 WeakPolarHBondContact OH-CE1 3.31Å; Y178-Y182 WeakPolarHBondContact OH-CE2 2.96Å; Y178-Y182 PolarHBondContact OH-OH 2.78Å |
| 179 | H | 88.4 | Confident | 88.8 | Confident | 139 Ų | 139 | 94.4 Ų | 94.4 | 64% | 0.644 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | -179.9 | -170.1 | -115.3 | 0 | 0 | 0 | 112.3 | Q175 Q176 Y182 A183 | Q175-H179 PolarHBondContact O-N 2.96Å; Q176-H179 PolarHBondContact O-N 3.47Å; H179-Y182 PolarHBondContact O-N 3.05Å; H179-A183 VanDerWaalsContact O-CB 3.32Å; H179-A183 WeakPolarHBondContact O-CB 3.17Å; H179-A183 PolarHBondContact O-N 3.21Å |
| 180 | R | 90 | Very high | 87.9 | Confident | 197 Ų | 197 | 97.6 Ų | 97.6 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 175 | -171.2 | 177.5 | -177.7 | -173.5 | 0.7 | 112.4 | Q176 L177 Y178 R184 | Q176-R180 WeakPolarHBondContact O-CB 3.48Å; Q176-R180 PolarHBondContact O-N 3.15Å; L177-R180 PolarHBondContact O-N 2.96Å; Y178-R180 VanDerWaalsContact C-N 3.27Å; Y178-R180 PolarHBondContact O-N 2.82Å; R180-R184 WeakPolarHBondContact O-CB 3.5Å; R180-R184 PolarHBondContact O-N 3.42Å; R180-R184 VanDerWaalsContact O-N 3.16Å |
| 181 | F | 92 | Very high | 86.9 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -47.8 | 174.4 | -82.6 | -65 | 0 | 0 | 0 | 111.6 | L177 Y178 A183 R184 F185 | L177-F181 HydrophobicContact CD1-CD2 3.87Å; L177-F181 HydrophobicContact CD1-CE2 3.37Å; L177-F181 HydrophobicContact CD1-CZ 4.22Å; L177-F181 HydrophobicContact CD2-CE2 4.06Å; L177-F181 HydrophobicContact CG-CD2 3.75Å; L177-F181 HydrophobicContact CG-CE2 3.49Å; L177-F181 VanDerWaalsContact CG-CE2 3.49Å; L177-F181 WeakPolarHBondContact O-CD2 3.13Å; L177-F181 PolarHBondContact O-N 3.47Å; Y178-F181 PolarHBondContact O-N 2.66Å; F181-A183 PolarHBondContact O-N 2.9Å; F181-R184 PolarHBondContact O-N 3Å; F181-R184 VanDerWaalsContact O-N 3.1Å; F181-F185 HydrophobicContact CB-CD2 4.35Å; F181-F185 HydrophobicContact CB-CE2 4.39Å; F181-F185 HydrophobicContact CD1-CE2 4Å; F181-F185 WeakPolarHBondContact O-CD2 3.48Å; F181-F185 PolarHBondContact O-N 3.41Å |
| 182 | Y | 87.6 | Confident | 85.7 | Confident | 129 Ų | 129 | 104.4 Ų | 104.4 | 51% | 0.506 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 179.8 | -85.1 | -104.1 | 0 | 0 | 0 | 112.3 | Y178 H179 R184 F185 S186 | Y178-Y182 AromaticContact CD1-CD2 3.69Å; Y178-Y182 HydrophobicContact CD1-CD2 3.69Å; Y178-Y182 AromaticContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CE2 3.95Å; Y178-Y182 HydrophobicContact CD1-CG 4.33Å; Y178-Y182 AromaticContact CD2-CD2 3.78Å; Y178-Y182 HydrophobicContact CD2-CD2 3.78Å; Y178-Y182 AromaticContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CD2-CE2 3.3Å; Y178-Y182 HydrophobicContact CE1-CD1 4.32Å; Y178-Y182 AromaticContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CD2 3.53Å; Y178-Y182 HydrophobicContact CE1-CE1 4.29Å; Y178-Y182 AromaticContact CE1-CE2 3.56Å; Y178-Y182 HydrophobicContact CE1-CE2 3.56Å; Y178-Y182 AromaticContact CE1-CG 3.94Å; Y178-Y182 HydrophobicContact CE1-CG 3.94Å; Y178-Y182 AromaticContact CE1-CZ 3.91Å; Y178-Y182 AromaticContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CD2 3.68Å; Y178-Y182 HydrophobicContact CE2-CE1 4.35Å; Y178-Y182 AromaticContact CE2-CE2 2.88Å; Y178-Y182 HydrophobicContact CE2-CE2 2.88Å; Y178-Y182 AromaticContact CE2-CZ 3.26Å; Y178-Y182 VanDerWaalsContact CE2-OH 3.24Å; Y178-Y182 WeakPolarHBondContact CE2-OH 3.31Å; Y178-Y182 AromaticContact CG-CD2 3.8Å; Y178-Y182 HydrophobicContact CG-CD2 3.8Å; Y178-Y182 AromaticContact CG-CE2 3.83Å; Y178-Y182 HydrophobicContact CG-CE2 3.83Å; Y178-Y182 AromaticContact CZ-CD2 3.53Å; Y178-Y182 AromaticContact CZ-CE1 3.77Å; Y178-Y182 AromaticContact CZ-CE2 3.01Å; Y178-Y182 AromaticContact CZ-CZ 3.09Å; Y178-Y182 VanDerWaalsContact O-CD2 3.24Å; Y178-Y182 WeakPolarHBondContact O-CD2 3.13Å; Y178-Y182 PolarHBondContact O-N 2.95Å; Y178-Y182 WeakPolarHBondContact OH-CE1 3.31Å; Y178-Y182 WeakPolarHBondContact OH-CE2 2.96Å; Y178-Y182 PolarHBondContact OH-OH 2.78Å; H179-Y182 PolarHBondContact O-N 3.05Å; Y182-R184 VanDerWaalsContact C-N 3.31Å; Y182-R184 PolarHBondContact O-N 2.97Å; Y182-F185 PolarHBondContact O-N 3.24Å; Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.4Å; Y182-S186 PolarHBondContact O-N 2.84Å; Y182-S186 PolarHBondContact O-OG 3.49Å; Y182-S186 VanDerWaalsContact O-OG 3.08Å |
| 183 | A | 88.5 | Confident | 84.8 | Confident | 48 Ų | 48 | 110.3 Ų | 110.3 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -34.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H179 F181 S186 S187 | H179-A183 VanDerWaalsContact O-CB 3.32Å; H179-A183 WeakPolarHBondContact O-CB 3.17Å; H179-A183 PolarHBondContact O-N 3.21Å; F181-A183 PolarHBondContact O-N 2.9Å; A183-S186 PolarHBondContact O-OG 2.93Å; A183-S187 WeakPolarHBondContact O-CB 3.47Å; A183-S187 PolarHBondContact O-N 3.2Å; A183-S187 PolarHBondContact O-OG 3.34Å |
| 184 | R | 85.5 | Confident | 83.9 | Confident | 159 Ų | 159 | 110.7 Ų | 110.7 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.9 | -36 | 176.4 | -168.7 | 176.4 | -172.4 | -175.9 | 1.5 | 112.7 | R180 F181 Y182 S187 K188 | R180-R184 WeakPolarHBondContact O-CB 3.5Å; R180-R184 PolarHBondContact O-N 3.42Å; R180-R184 VanDerWaalsContact O-N 3.16Å; F181-R184 PolarHBondContact O-N 3Å; F181-R184 VanDerWaalsContact O-N 3.1Å; Y182-R184 VanDerWaalsContact C-N 3.31Å; Y182-R184 PolarHBondContact O-N 2.97Å; R184-S187 PolarHBondContact O-OG 3.44Å; R184-K188 WeakPolarHBondContact O-CG 3.3Å; R184-K188 PolarHBondContact O-N 2.98Å |
| 185 | F | 84 | Confident | 83.2 | Confident | 122 Ų | 122 | 110.1 Ų | 110.1 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76.7 | -39.1 | 176.9 | -78.6 | -69.4 | 0 | 0 | 0 | 111.9 | F181 Y182 S187 K188 L189 | F181-F185 HydrophobicContact CB-CD2 4.35Å; F181-F185 HydrophobicContact CB-CE2 4.39Å; F181-F185 HydrophobicContact CD1-CE2 4Å; F181-F185 WeakPolarHBondContact O-CD2 3.48Å; F181-F185 PolarHBondContact O-N 3.41Å; Y182-F185 PolarHBondContact O-N 3.24Å; F185-S187 PolarHBondContact O-N 2.97Å; F185-K188 PolarHBondContact O-N 3.46Å; F185-L189 WeakPolarHBondContact O-CG 3.48Å; F185-L189 PolarHBondContact O-N 2.98Å |
| 186 | S | 80 | Confident | 82.3 | Confident | 57 Ų | 57 | 109.4 Ų | 109.4 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 177.6 | 68 | 0 | 0 | 0 | 0 | 112.1 | Y182 A183 L189 N190 | Y182-S186 VanDerWaalsContact O-CB 3.28Å; Y182-S186 WeakPolarHBondContact O-CB 3.4Å; Y182-S186 PolarHBondContact O-N 2.84Å; Y182-S186 PolarHBondContact O-OG 3.49Å; Y182-S186 VanDerWaalsContact O-OG 3.08Å; A183-S186 PolarHBondContact O-OG 2.93Å; S186-L189 PolarHBondContact O-N 3.4Å; S186-N190 WeakPolarHBondContact O-CB 3.43Å; S186-N190 VanDerWaalsContact O-CG 3.25Å; S186-N190 PolarHBondContact O-N 2.93Å; S186-N190 PolarHBondContact O-ND2 3.18Å |
| 187 | S | 76.5 | Confident | 81.5 | Confident | 66 Ų | 66 | 109.7 Ų | 109.7 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 174.3 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | A183 R184 F185 N190 Q191 | A183-S187 WeakPolarHBondContact O-CB 3.47Å; A183-S187 PolarHBondContact O-N 3.2Å; A183-S187 PolarHBondContact O-OG 3.34Å; R184-S187 PolarHBondContact O-OG 3.44Å; F185-S187 PolarHBondContact O-N 2.97Å; S187-N190 PolarHBondContact O-N 2.9Å; S187-Q191 WeakPolarHBondContact O-CB 3.35Å; S187-Q191 PolarHBondContact O-N 3.47Å |
| 188 | K | 77.1 | Confident | 80.6 | Confident | 118 Ų | 118 | 110.1 Ų | 110.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.5 | -76.2 | -174.3 | 176.7 | -171.3 | 0 | 112.7 | R184 F185 Q191 Y192 | R184-K188 WeakPolarHBondContact O-CG 3.3Å; R184-K188 PolarHBondContact O-N 2.98Å; F185-K188 PolarHBondContact O-N 3.46Å; K188-Q191 PolarHBondContact O-N 3.26Å; K188-Y192 PolarHBondContact O-N 3.1Å |
| 189 | L | 76.8 | Confident | 79.7 | Confident | 105 Ų | 105 | 111.8 Ų | 111.8 | 55% | 0.55 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 177.6 | -72.6 | 173.4 | 0 | 0 | 0 | 111.8 | F185 S186 Y192 K193 | F185-L189 WeakPolarHBondContact O-CG 3.48Å; F185-L189 PolarHBondContact O-N 2.98Å; S186-L189 PolarHBondContact O-N 3.4Å; L189-Y192 PolarHBondContact O-N 3.45Å; L189-K193 WeakPolarHBondContact O-CB 3.06Å; L189-K193 WeakPolarHBondContact O-CG 3.22Å; L189-K193 PolarHBondContact O-N 3.21Å |
| 190 | N | 74.5 | Confident | 78.9 | Confident | 100 Ų | 100 | 113.6 Ų | 113.6 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.4 | -72.8 | -18.4 | 0 | 0 | 0 | 111.8 | S186 S187 K193 N194 | S186-N190 WeakPolarHBondContact O-CB 3.43Å; S186-N190 VanDerWaalsContact O-CG 3.25Å; S186-N190 PolarHBondContact O-N 2.93Å; S186-N190 PolarHBondContact O-ND2 3.18Å; S187-N190 PolarHBondContact O-N 2.9Å; N190-K193 PolarHBondContact O-N 3.33Å; N190-N194 WeakPolarHBondContact O-CB 3.5Å; N190-N194 PolarHBondContact O-N 3.26Å |
| 191 | Q | 76.8 | Confident | 77.9 | Confident | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.1 | -45.9 | 173.1 | -169 | -178.2 | 17.5 | 0 | 0 | 111.3 | S187 K188 N194 V195 | S187-Q191 WeakPolarHBondContact O-CB 3.35Å; S187-Q191 PolarHBondContact O-N 3.47Å; K188-Q191 PolarHBondContact O-N 3.26Å; Q191-N194 PolarHBondContact O-N 3.4Å; Q191-V195 WeakPolarHBondContact O-CG2 3.38Å; Q191-V195 PolarHBondContact O-N 3.36Å |
| 192 | Y | 70.7 | Confident | 76.3 | Confident | 152 Ų | 152 | 118.1 Ų | 118.1 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.4 | -42.1 | 177.4 | -176.1 | -102.4 | 0 | 0 | 0 | 112.6 | K188 L189 N196 | K188-Y192 PolarHBondContact O-N 3.1Å; L189-Y192 PolarHBondContact O-N 3.45Å; Y192-N196 WeakPolarHBondContact CE1-ND2 3.36Å; Y192-N196 WeakPolarHBondContact O-CB 3.35Å; Y192-N196 PolarHBondContact O-N 3.38Å; Y192-N196 PolarHBondContact OH-ND2 3.18Å |
| 193 | K | 75.1 | Confident | 75.7 | Confident | 131 Ų | 131 | 117.6 Ų | 117.6 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.1 | -43.3 | 174.6 | -77.5 | 179.9 | -179.8 | -179.7 | 0 | 112.3 | L189 N190 N196 N197 | L189-K193 WeakPolarHBondContact O-CB 3.06Å; L189-K193 WeakPolarHBondContact O-CG 3.22Å; L189-K193 PolarHBondContact O-N 3.21Å; N190-K193 PolarHBondContact O-N 3.33Å; K193-N196 PolarHBondContact O-N 3.18Å; K193-N197 WeakPolarHBondContact O-CB 3.44Å; K193-N197 PolarHBondContact O-N 3.17Å; K193-N197 PolarHBondContact O-ND2 3.18Å; K193-N197 PolarHBondContact O-OD1 3.42Å |
| 194 | N | 75.6 | Confident | 75.1 | Confident | 96 Ų | 96 | 121.3 Ų | 121.3 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.4 | -44 | 179.8 | -163 | -24.1 | 0 | 0 | 0 | 111.3 | N190 Q191 N196 N197 N198 | N190-N194 WeakPolarHBondContact O-CB 3.5Å; N190-N194 PolarHBondContact O-N 3.26Å; Q191-N194 PolarHBondContact O-N 3.4Å; N194-N196 PolarHBondContact O-N 2.91Å; N194-N197 PolarHBondContact O-N 2.98Å; N194-N198 VanDerWaalsContact O-CG 3.26Å; N194-N198 PolarHBondContact O-N 3.43Å; N194-N198 PolarHBondContact O-ND2 3.42Å; N194-N198 PolarHBondContact OD1-ND2 2.76Å |
| 195 | V | 79.2 | Confident | 74.5 | Confident | 87 Ų | 87 | 119.2 Ų | 119.2 | 53% | 0.527 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.2 | -44.6 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | Q191 N198 K199 | Q191-V195 WeakPolarHBondContact O-CG2 3.38Å; Q191-V195 PolarHBondContact O-N 3.36Å; V195-N198 PolarHBondContact O-N 3.37Å; V195-K199 PolarHBondContact O-N 3.4Å; V195-K199 VanDerWaalsContact O-N 3.17Å |
| 196 | N | 74.6 | Confident | 73.9 | Confident | 60 Ų | 60 | 119 Ų | 119 | 32% | 0.321 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.5 | -36.2 | 179 | -79.2 | -11.1 | 0 | 0 | 0 | 113.4 | Y192 K193 N194 K199 K200 | Y192-N196 WeakPolarHBondContact CE1-ND2 3.36Å; Y192-N196 WeakPolarHBondContact O-CB 3.35Å; Y192-N196 PolarHBondContact O-N 3.38Å; Y192-N196 PolarHBondContact OH-ND2 3.18Å; K193-N196 PolarHBondContact O-N 3.18Å; N194-N196 PolarHBondContact O-N 2.91Å; N196-K199 PolarHBondContact O-N 3.03Å; N196-K200 PolarHBondContact O-N 2.75Å |
| 197 | N | 74 | Confident | 73.6 | Confident | 93 Ų | 93 | 122.9 Ų | 122.9 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.3 | -42.1 | 176 | -72.5 | -9.3 | 0 | 0 | 0 | 111.2 | K193 N194 K199 K200 I201 | K193-N197 WeakPolarHBondContact O-CB 3.44Å; K193-N197 PolarHBondContact O-N 3.17Å; K193-N197 PolarHBondContact O-ND2 3.18Å; K193-N197 PolarHBondContact O-OD1 3.42Å; N194-N197 PolarHBondContact O-N 2.98Å; N197-K199 PolarHBondContact O-N 3.15Å; N197-K200 PolarHBondContact O-N 2.87Å; N197-K200 VanDerWaalsContact O-N 3.13Å; N197-I201 WeakPolarHBondContact O-CG1 3.35Å; N197-I201 PolarHBondContact O-N 3.41Å |
| 198 | N | 73.4 | Confident | 73.4 | Confident | 91 Ų | 91 | 126.7 Ų | 126.7 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.3 | -27.5 | 175.8 | -66.7 | -25.4 | 0 | 0 | 0 | 112.8 | N194 V195 | N194-N198 VanDerWaalsContact O-CG 3.26Å; N194-N198 PolarHBondContact O-N 3.43Å; N194-N198 PolarHBondContact O-ND2 3.42Å; N194-N198 PolarHBondContact OD1-ND2 2.76Å; V195-N198 PolarHBondContact O-N 3.37Å |
| 199 | K | 73.2 | Confident | 73.1 | Confident | 165 Ų | 165 | 127.3 Ų | 127.3 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76 | -22.6 | 175 | -160.8 | 178.5 | -177.7 | -178.8 | 0 | 113.3 | V195 N196 N197 | V195-K199 PolarHBondContact O-N 3.4Å; V195-K199 VanDerWaalsContact O-N 3.17Å; N196-K199 PolarHBondContact O-N 3.03Å; N197-K199 PolarHBondContact O-N 3.15Å |
| 200 | K | 71.2 | Confident | 72.8 | Confident | 178 Ų | 178 | 129 Ų | 129 | 77% | 0.774 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84.7 | -16.3 | 176.7 | -78.8 | -172.6 | 177 | -174.3 | 0 | 114.2 | N196 N197 | N196-K200 PolarHBondContact O-N 2.75Å; N197-K200 PolarHBondContact O-N 2.87Å; N197-K200 VanDerWaalsContact O-N 3.13Å |
| 201 | I | 70.3 | Confident | 72.7 | Confident | 142 Ų | 142 | 131.4 Ų | 131.4 | 73% | 0.728 | 62% | 0.62 | S | S | * | * | trans | -91 | -10.9 | -177.7 | -63.7 | 167.1 | 0 | 0 | 0 | 111.7 | N197 | N197-I201 WeakPolarHBondContact O-CG1 3.35Å; N197-I201 PolarHBondContact O-N 3.41Å | ||
| 202 | K | 58.1 | Low | 72.3 | Confident | 246 Ų | 246 | 131 Ų | 131 | 100% | 1.07 | 62% | 0.618 | S | S | * | * | trans | -100.6 | 0 | 171.6 | -72.5 | -173.9 | 176.3 | -174.7 | 0 | 110.5 |
Retrieved 202 of 202 residues in 204.5 ms
(Link to these results)