| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.6 | Very low | 40 | Very low | 246 Ų | 246 | 114.6 Ų | 114.6 | 100% | 1.212 | 63% | 0.631 | S | S | * | * | 0 | 105.6 | 0 | -68 | 166.6 | 80.4 | 0 | 0 | 107.1 | |||||
| 2 | S | 38.2 | Very low | 40.5 | Very low | 91 Ų | 91 | 111.1 Ų | 111.1 | 64% | 0.636 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.2 | 172.6 | 75.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 3 | S | 35.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 81% | 0.811 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 125.8 | 177 | -161.9 | 0 | 0 | 0 | 0 | 108.1 | ||
| 4 | F | 43.8 | Very low | 41 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 40% | 0.404 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -98.2 | 116.7 | 176.2 | -82.4 | -79.8 | 0 | 0 | 0 | 109.5 | G155 | F4-G155 WeakPolarHBondContact CE1-O 3.4Š|
| 5 | T | 38 | Very low | 41.2 | Very low | 69 Ų | 69 | 111.5 Ų | 111.5 | 42% | 0.423 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -85.4 | 123.8 | 174.2 | -51.4 | 0 | 0 | 0 | 0 | 109 | I7 L119 | T5-I7 HydrophobicContact CG2-CD1 4.23Å; T5-I7 HydrophobicContact CG2-CG1 4.16Å; T5-L119 WeakPolarHBondContact O-CD1 3.36Å |
| 6 | I | 43.2 | Very low | 41.6 | Very low | 101 Ų | 101 | 110 Ų | 110 | 52% | 0.518 | 61% | 0.608 | S | S | . | * | trans | -109.7 | 115.7 | 177.8 | -61.3 | 172.8 | 0 | 0 | 0 | 107.8 | ||||
| 7 | I | 41.6 | Very low | 41.6 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 57% | 0.569 | 62% | 0.62 | S | S | * | * | trans | -120.5 | 128.1 | 173.9 | -62.3 | 179 | 0 | 0 | 0 | 110.3 | T5 | T5-I7 HydrophobicContact CG2-CD1 4.23Å; T5-I7 HydrophobicContact CG2-CG1 4.16Å | ||
| 8 | C | 38.1 | Very low | 41.8 | Very low | 80 Ų | 80 | 111 Ų | 111 | 54% | 0.541 | 61% | 0.614 | S | S | . | * | trans | -81.5 | 153.2 | -170.3 | -73.9 | 0 | 0 | 0 | 0 | 114.7 | F10 V11 | C8-F10 PolarHBondContact O-N 3.18Å; C8-V11 PolarHBondContact O-N 2.68Å | ||
| 9 | V | 48.4 | Very low | 42.2 | Very low | 80 Ų | 80 | 106.3 Ų | 106.3 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -51.3 | -13.7 | -170.8 | 175.1 | 0 | 0 | 0 | 0 | 117.1 | V12 T171 | V9-V12 WeakPolarHBondContact O-CG2 2.99Å; V9-T171 HydrophobicContact CG2-CG2 3.78Å |
| 10 | F | 37.6 | Very low | 42.6 | Very low | 195 Ų | 195 | 105.1 Ų | 105.1 | 86% | 0.855 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -82.4 | -15.8 | -176 | -84.8 | -83.1 | 0 | 0 | 0 | 115.3 | C8 V12 | C8-F10 PolarHBondContact O-N 3.18Å; F10-V12 VanDerWaalsContact C-N 3.31Å; F10-V12 PolarHBondContact O-N 3.23Å |
| 11 | V | 41.9 | Very low | 43.2 | Very low | 80 Ų | 80 | 105 Ų | 105 | 49% | 0.485 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -81.7 | -12.5 | 179.6 | -177 | 0 | 0 | 0 | 0 | 112.5 | C8 N13 I14 V15 | C8-V11 PolarHBondContact O-N 2.68Å; V11-N13 PolarHBondContact O-N 3.33Å; V11-I14 PolarHBondContact O-N 3.1Å; V11-V15 HydrophobicContact CG1-CB 4.29Å; V11-V15 HydrophobicContact CG1-CG2 3.42Å; V11-V15 VanDerWaalsContact CG1-CG2 3.42Å; V11-V15 WeakPolarHBondContact O-CB 3.42Å; V11-V15 PolarHBondContact O-N 3.03Å |
| 12 | V | 45.9 | Very low | 45 | Very low | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.436 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.8 | -37.6 | -172.6 | -179 | 0 | 0 | 0 | 0 | 112.8 | V9 F10 I14 V16 | V9-V12 WeakPolarHBondContact O-CG2 2.99Å; F10-V12 VanDerWaalsContact C-N 3.31Å; F10-V12 PolarHBondContact O-N 3.23Å; V12-I14 PolarHBondContact O-N 3.26Å; V12-V16 HydrophobicContact CG1-CG2 3.9Å; V12-V16 WeakPolarHBondContact O-CB 2.95Å; V12-V16 WeakPolarHBondContact O-CG2 3.29Å; V12-V16 PolarHBondContact O-N 3.27Å |
| 13 | N | 41.5 | Very low | 47.1 | Very low | 143 Ų | 143 | 94.9 Ų | 94.9 | 77% | 0.765 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -73.6 | -30.8 | -174.6 | -79.7 | -44.5 | 0 | 0 | 0 | 114.8 | V11 | V11-N13 PolarHBondContact O-N 3.33Å |
| 14 | I | 46.8 | Very low | 49.6 | Very low | 146 Ų | 146 | 90.7 Ų | 90.7 | 75% | 0.749 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -85.4 | -35.6 | 178.6 | -62.4 | 176.3 | 0 | 0 | 0 | 110.1 | V11 V12 | V11-I14 PolarHBondContact O-N 3.1Å; V12-I14 PolarHBondContact O-N 3.26Å |
| 15 | V | 43.9 | Very low | 51.8 | Low | 51 Ų | 51 | 94 Ų | 94 | 31% | 0.309 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.9 | -27.9 | -176.6 | 169.8 | 0 | 0 | 0 | 0 | 112.9 | V11 K17 G18 L19 | V11-V15 HydrophobicContact CG1-CB 4.29Å; V11-V15 HydrophobicContact CG1-CG2 3.42Å; V11-V15 VanDerWaalsContact CG1-CG2 3.42Å; V11-V15 WeakPolarHBondContact O-CB 3.42Å; V11-V15 PolarHBondContact O-N 3.03Å; V15-K17 VanDerWaalsContact C-N 3.28Å; V15-K17 PolarHBondContact O-N 3.17Å; V15-G18 PolarHBondContact O-N 3.41Å; V15-G18 VanDerWaalsContact O-N 3.12Å; V15-L19 HydrophobicContact CG1-CD1 3.24Å; V15-L19 HydrophobicContact CG1-CG 3.77Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 PolarHBondContact O-N 3.12Å |
| 16 | V | 46.7 | Very low | 54.4 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -33.5 | 174.8 | 167.9 | 0 | 0 | 0 | 0 | 112.6 | V12 | V12-V16 HydrophobicContact CG1-CG2 3.9Å; V12-V16 WeakPolarHBondContact O-CB 2.95Å; V12-V16 WeakPolarHBondContact O-CG2 3.29Å; V12-V16 PolarHBondContact O-N 3.27Å |
| 17 | K | 41.9 | Very low | 56.7 | Low | 188 Ų | 188 | 90.9 Ų | 90.9 | 82% | 0.817 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -76.1 | -27.6 | 175.5 | -76.2 | -174.1 | 176.3 | -178 | 0 | 113.4 | V15 | V15-K17 VanDerWaalsContact C-N 3.28Å; V15-K17 PolarHBondContact O-N 3.17Å |
| 18 | G | 46.3 | Very low | 59.2 | Low | 50 Ų | 50 | 90.1 Ų | 90.1 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -87.7 | -27.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V15 | V15-G18 PolarHBondContact O-N 3.41Å; V15-G18 VanDerWaalsContact O-N 3.12Å |
| 19 | L | 48.9 | Very low | 61.9 | Low | 21 Ų | 21 | 89.4 Ų | 89.4 | 11% | 0.11 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -81.6 | -16.1 | 179.7 | -86.7 | 168 | 0 | 0 | 0 | 114.1 | V15 S21 I124 | V15-L19 HydrophobicContact CG1-CD1 3.24Å; V15-L19 HydrophobicContact CG1-CG 3.77Å; V15-L19 WeakPolarHBondContact O-CB 3.44Å; V15-L19 PolarHBondContact O-N 3.12Å; L19-S21 PolarHBondContact O-N 3.17Å; L19-S21 VanDerWaalsContact O-N 3.17Å; L19-I124 HydrophobicContact CD1-CD1 4.16Å |
| 20 | A | 49.9 | Very low | 64.1 | Low | 82 Ų | 82 | 87.1 Ų | 87.1 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 21 | S | 54.2 | Low | 66.9 | Low | 104 Ų | 104 | 78.5 Ų | 78.5 | 73% | 0.727 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -111.7 | 94.8 | 167.8 | 59.1 | 0 | 0 | 0 | 0 | 109.2 | L19 | L19-S21 PolarHBondContact O-N 3.17Å; L19-S21 VanDerWaalsContact O-N 3.17Å |
| 22 | S | 71.6 | Confident | 69.4 | Low | 100 Ų | 100 | 82.5 Ų | 82.5 | 70% | 0.699 | 46% | 0.461 | S | S | * | . | cis | -143 | 131.6 | -3 | 45.7 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 23 | L | 83.8 | Confident | 71.8 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 13% | 0.126 | 47% | 0.467 | C | S | . | . | trans | -63.6 | 151.7 | 172.5 | -62.3 | 157.9 | 0 | 0 | 0 | 108 | E25 Y27 E28 Y121 I124 | L23-E25 PolarHBondContact O-N 3.02Å; L23-Y27 HydrophobicContact CB-CD1 3.82Å; L23-Y27 HydrophobicContact CB-CE1 4.33Å; L23-Y27 HydrophobicContact CD1-CD1 4.18Å; L23-Y27 HydrophobicContact CD1-CE1 3.86Å; L23-Y27 HydrophobicContact CD2-CD1 4.27Å; L23-Y27 HydrophobicContact CD2-CE1 4.12Å; L23-Y27 HydrophobicContact CG-CD1 4.31Å; L23-Y27 HydrophobicContact CG-CE1 4.33Å; L23-E28 HydrophobicContact CB-CG 3.65Å; L23-E28 WeakPolarHBondContact CB-OE1 3.42Å; L23-E28 HydrophobicContact CD1-CG 4.36Å; L23-Y121 HydrophobicContact CD2-CD1 4.05Å; L23-Y121 HydrophobicContact CD2-CE1 3.65Å; L23-I124 HydrophobicContact CD1-CG2 4.31Å; L23-I124 HydrophobicContact CD2-CD1 3.92Å | ||
| 24 | P | 88.5 | Confident | 74.5 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | trans | -54.4 | 139.2 | 176.5 | -25.1 | 34.8 | 0 | 0 | 0 | 110.8 | E26 Y27 E28 V110 Y121 | P24-E26 VanDerWaalsContact C-N 3.26Å; P24-E26 PolarHBondContact O-N 3.46Å; P24-Y27 WeakPolarHBondContact O-CB 3.45Å; P24-Y27 PolarHBondContact O-N 2.81Å; P24-E28 PolarHBondContact O-N 3.47Å; P24-V110 HydrophobicContact CG-CG1 4.41Å; P24-Y121 HydrophobicContact CG-CE1 4.31Å | ||
| 25 | E | 89.8 | Confident | 76.9 | Confident | 161 Ų | 161 | 71.6 Ų | 71.6 | 75% | 0.752 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.9 | -39.5 | -177.2 | -176.9 | 177.1 | 179.8 | 0 | 0 | 111.9 | L23 Y27 E28 T29 | L23-E25 PolarHBondContact O-N 3.02Å; E25-Y27 VanDerWaalsContact C-N 3.35Å; E25-Y27 PolarHBondContact O-N 3.5Å; E25-E28 PolarHBondContact O-N 3.09Å; E25-T29 VanDerWaalsContact O-CB 3.27Å; E25-T29 WeakPolarHBondContact O-CB 3.37Å; E25-T29 PolarHBondContact O-N 2.61Å; E25-T29 PolarHBondContact O-OG1 3.07Å |
| 26 | E | 91.3 | Very high | 79.4 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 48% | 0.481 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 175.5 | -61.3 | -171.5 | 164.7 | 0 | 0 | 111.6 | P24 T29 Q30 E109 | P24-E26 VanDerWaalsContact C-N 3.26Å; P24-E26 PolarHBondContact O-N 3.46Å; E26-T29 PolarHBondContact O-N 2.77Å; E26-Q30 WeakPolarHBondContact O-CB 3.29Å; E26-Q30 PolarHBondContact O-N 3.38Å; E26-E109 HydrophobicContact CB-CB 4.2Å |
| 27 | Y | 92.9 | Very high | 81.7 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 175.6 | 173.2 | -93.7 | 0 | 0 | 0 | 111 | L23 P24 E25 T29 Q30 V31 I108 E109 V110 Y121 I124 F125 | L23-Y27 HydrophobicContact CB-CD1 3.82Å; L23-Y27 HydrophobicContact CB-CE1 4.33Å; L23-Y27 HydrophobicContact CD1-CD1 4.18Å; L23-Y27 HydrophobicContact CD1-CE1 3.86Å; L23-Y27 HydrophobicContact CD2-CD1 4.27Å; L23-Y27 HydrophobicContact CD2-CE1 4.12Å; L23-Y27 HydrophobicContact CG-CD1 4.31Å; L23-Y27 HydrophobicContact CG-CE1 4.33Å; P24-Y27 WeakPolarHBondContact O-CB 3.45Å; P24-Y27 PolarHBondContact O-N 2.81Å; E25-Y27 VanDerWaalsContact C-N 3.35Å; E25-Y27 PolarHBondContact O-N 3.5Å; Y27-T29 VanDerWaalsContact C-N 3.28Å; Y27-T29 PolarHBondContact O-N 2.81Å; Y27-Q30 PolarHBondContact O-N 2.88Å; Y27-V31 HydrophobicContact CD1-CG2 4.32Å; Y27-V31 HydrophobicContact CD2-CG2 4.33Å; Y27-V31 HydrophobicContact CE1-CG2 3.82Å; Y27-V31 HydrophobicContact CE2-CG2 3.83Å; Y27-V31 WeakPolarHBondContact O-CG2 3.5Å; Y27-V31 PolarHBondContact O-N 2.93Å; Y27-I108 HydrophobicContact CD2-CG2 3.83Å; Y27-I108 HydrophobicContact CE2-CG2 3.94Å; Y27-E109 WeakPolarHBondContact CA-O 3.38Å; Y27-E109 WeakPolarHBondContact CB-O 3.36Å; Y27-E109 PolarHBondContact N-O 2.96Å; Y27-E109 VanDerWaalsContact N-O 3.07Å; Y27-V110 HydrophobicContact CD2-CG1 3.95Å; Y27-V110 HydrophobicContact CG-CG1 4.31Å; Y27-Y121 HydrophobicContact CD1-CD1 4.15Å; Y27-Y121 HydrophobicContact CD1-CE1 4.48Å; Y27-Y121 AromaticContact CD2-CD1 3.8Å; Y27-Y121 HydrophobicContact CD2-CD1 3.8Å; Y27-Y121 HydrophobicContact CD2-CG 4.37Å; Y27-Y121 HydrophobicContact CE1-CD1 4.11Å; Y27-Y121 AromaticContact CE2-CD1 3.75Å; Y27-Y121 HydrophobicContact CE2-CD1 3.75Å; Y27-Y121 HydrophobicContact CE2-CG 4.18Å; Y27-Y121 AromaticContact CG-CD1 4Å; Y27-Y121 HydrophobicContact CG-CD1 4Å; Y27-Y121 HydrophobicContact CG-CE1 4.39Å; Y27-Y121 AromaticContact CZ-CD1 3.9Å; Y27-Y121 PolarHBondContact OH-O 3.45Å; Y27-I124 HydrophobicContact CE1-CG2 4.29Å; Y27-I124 WeakPolarHBondContact OH-CB 3.4Å; Y27-I124 WeakPolarHBondContact OH-CG2 3.17Å; Y27-F125 HydrophobicContact CE2-CB 4.46Å; Y27-F125 HydrophobicContact CE2-CD2 4.18Å; Y27-F125 WeakPolarHBondContact OH-CA 3.42Å; Y27-F125 PolarHBondContact OH-N 2.96Å |
| 28 | E | 92.4 | Very high | 84.1 | Confident | 94 Ų | 94 | 61 Ų | 61 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 179.2 | -68 | -165.1 | 177 | 0 | 0 | 111.5 | L23 P24 E25 V31 K32 | L23-E28 HydrophobicContact CB-CG 3.65Å; L23-E28 WeakPolarHBondContact CB-OE1 3.42Å; L23-E28 HydrophobicContact CD1-CG 4.36Å; P24-E28 PolarHBondContact O-N 3.47Å; E25-E28 PolarHBondContact O-N 3.09Å; E28-V31 PolarHBondContact O-N 3.34Å; E28-K32 VanDerWaalsContact O-CB 3.22Å; E28-K32 WeakPolarHBondContact O-CB 3.41Å; E28-K32 PolarHBondContact O-N 3.37Å |
| 29 | T | 94.9 | Very high | 86.3 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 176.4 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | E25 E26 Y27 K32 N33 | E25-T29 VanDerWaalsContact O-CB 3.27Å; E25-T29 WeakPolarHBondContact O-CB 3.37Å; E25-T29 PolarHBondContact O-N 2.61Å; E25-T29 PolarHBondContact O-OG1 3.07Å; E26-T29 PolarHBondContact O-N 2.77Å; Y27-T29 VanDerWaalsContact C-N 3.28Å; Y27-T29 PolarHBondContact O-N 2.81Å; T29-K32 PolarHBondContact O-N 2.87Å; T29-N33 WeakPolarHBondContact CG2-ND2 3.34Å; T29-N33 VanDerWaalsContact O-CB 3.24Å; T29-N33 WeakPolarHBondContact O-CB 3.41Å; T29-N33 VanDerWaalsContact O-CG 3.27Å; T29-N33 PolarHBondContact O-N 3.03Å; T29-N33 PolarHBondContact O-ND2 2.85Å |
| 30 | Q | 96.1 | Very high | 88.3 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 15% | 0.15 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58 | -51.4 | 176.5 | -173.8 | -173.3 | 37.6 | 0 | 0 | 111.1 | E26 Y27 K32 N33 Y34 K107 E109 F125 | E26-Q30 WeakPolarHBondContact O-CB 3.29Å; E26-Q30 PolarHBondContact O-N 3.38Å; Y27-Q30 PolarHBondContact O-N 2.88Å; Q30-K32 PolarHBondContact O-N 3.49Å; Q30-N33 PolarHBondContact O-N 2.9Å; Q30-Y34 WeakPolarHBondContact O-CB 3.31Å; Q30-Y34 PolarHBondContact O-N 3Å; Q30-K107 PolarHBondContact NE2-O 2.99Å; Q30-E109 HydrophobicContact CB-CB 4.34Å; Q30-E109 HydrophobicContact CB-CG 4.31Å; Q30-E109 HydrophobicContact CG-CG 4.3Å; Q30-F125 HydrophobicContact CG-CE2 4.07Å; Q30-F125 HydrophobicContact CG-CZ 4.36Å |
| 31 | V | 96 | Very high | 90.3 | Very high | 15 Ų | 15 | 65 Ų | 65 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.7 | -43.2 | -177.3 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | Y27 E28 N33 Y34 F125 R128 | Y27-V31 HydrophobicContact CD1-CG2 4.32Å; Y27-V31 HydrophobicContact CD2-CG2 4.33Å; Y27-V31 HydrophobicContact CE1-CG2 3.82Å; Y27-V31 HydrophobicContact CE2-CG2 3.83Å; Y27-V31 WeakPolarHBondContact O-CG2 3.5Å; Y27-V31 PolarHBondContact O-N 2.93Å; E28-V31 PolarHBondContact O-N 3.34Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3.07Å; V31-Y34 PolarHBondContact O-N 3.29Å; V31-F125 HydrophobicContact CG1-CD1 4.43Å; V31-F125 HydrophobicContact CG2-CB 4.22Å; V31-F125 HydrophobicContact CG2-CD1 4.13Å; V31-F125 HydrophobicContact CG2-CD2 3.59Å; V31-F125 HydrophobicContact CG2-CE1 4.33Å; V31-F125 HydrophobicContact CG2-CE2 3.84Å; V31-F125 HydrophobicContact CG2-CG 3.73Å; V31-F125 HydrophobicContact CG2-CZ 4.2Å; V31-R128 HydrophobicContact CG1-CB 3.63Å; V31-R128 HydrophobicContact CG1-CG 3.82Å |
| 32 | K | 94.6 | Very high | 92.1 | Very high | 163 Ų | 163 | 65.7 Ų | 65.7 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.4 | -45.2 | 177.6 | -177.9 | -179.2 | 177.9 | -177.1 | 0 | 111.2 | E28 T29 Q30 K132 | E28-K32 VanDerWaalsContact O-CB 3.22Å; E28-K32 WeakPolarHBondContact O-CB 3.41Å; E28-K32 PolarHBondContact O-N 3.37Å; T29-K32 PolarHBondContact O-N 2.87Å; Q30-K32 PolarHBondContact O-N 3.49Å; K32-K132 PolarHBondContact O-NZ 2.79Å |
| 33 | N | 96.3 | Very high | 93.3 | Very high | 108 Ų | 108 | 67 Ų | 67 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -85.6 | -10.8 | -175.3 | -65.4 | -21.9 | 0 | 0 | 0 | 113.8 | T29 Q30 V31 | T29-N33 WeakPolarHBondContact CG2-ND2 3.34Å; T29-N33 VanDerWaalsContact O-CB 3.24Å; T29-N33 WeakPolarHBondContact O-CB 3.41Å; T29-N33 VanDerWaalsContact O-CG 3.27Å; T29-N33 PolarHBondContact O-N 3.03Å; T29-N33 PolarHBondContact O-ND2 2.85Å; Q30-N33 PolarHBondContact O-N 2.9Å; V31-N33 VanDerWaalsContact C-N 3.33Å; V31-N33 PolarHBondContact O-N 3.07Å |
| 34 | Y | 98.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -57.2 | 127.1 | 177.8 | -161.9 | -99.6 | 0 | 0 | 0 | 110.1 | Q30 V31 C59 P61 A103 I104 V105 F125 L129 K132 W133 | Q30-Y34 WeakPolarHBondContact O-CB 3.31Å; Q30-Y34 PolarHBondContact O-N 3Å; V31-Y34 PolarHBondContact O-N 3.29Å; Y34-C59 HydrophobicContact CE1-CB 3.94Å; Y34-C59 PolarHBondContact OH-O 3.49Å; Y34-P61 HydrophobicContact CD2-CG 4.19Å; Y34-P61 HydrophobicContact CE2-CG 3.51Å; Y34-P61 WeakPolarHBondContact OH-CD 3.39Å; Y34-A103 HydrophobicContact CE1-CB 3.85Å; Y34-I104 PolarHBondContact OH-N 3.23Å; Y34-I104 PolarHBondContact OH-O 2.87Å; Y34-V105 HydrophobicContact CD2-CG1 3.93Å; Y34-V105 HydrophobicContact CE2-CG1 3.34Å; Y34-F125 HydrophobicContact CD1-CE1 4.09Å; Y34-F125 HydrophobicContact CD1-CZ 4.45Å; Y34-F125 HydrophobicContact CD2-CE1 4.15Å; Y34-F125 AromaticContact CD2-CZ 3.69Å; Y34-F125 HydrophobicContact CD2-CZ 3.69Å; Y34-F125 HydrophobicContact CE2-CZ 4.34Å; Y34-F125 AromaticContact CG-CE1 3.78Å; Y34-F125 HydrophobicContact CG-CE1 3.78Å; Y34-F125 AromaticContact CG-CZ 3.75Å; Y34-F125 HydrophobicContact CG-CZ 3.75Å; Y34-L129 HydrophobicContact CD1-CD1 4.04Å; Y34-L129 HydrophobicContact CD1-CD2 3.73Å; Y34-L129 HydrophobicContact CE1-CD1 4.09Å; Y34-L129 HydrophobicContact CG-CD2 4.46Å; Y34-K132 PolarHBondContact O-NZ 3.11Å; Y34-W133 AromaticContact CD1-CZ2 3.77Å; Y34-W133 HydrophobicContact CD1-CZ2 3.77Å; Y34-W133 AromaticContact CE1-CH2 3.83Å; Y34-W133 HydrophobicContact CE1-CH2 3.83Å; Y34-W133 AromaticContact CE1-CZ2 3.47Å; Y34-W133 HydrophobicContact CE1-CZ2 3.47Å; Y34-W133 VanDerWaalsContact CE1-CZ2 3.47Å |
| 35 | P | 97.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -65 | 156 | -167.7 | -23.5 | 34.6 | 0 | 0 | 0 | 114 | K43 P61 W133 | P35-K43 HydrophobicContact CB-CB 3.68Å; P35-K43 HydrophobicContact CG-CB 3.75Å; P35-P61 HydrophobicContact CG-CB 4.09Å; P35-W133 WeakPolarHBondContact O-CZ2 3.49Å; P35-W133 PolarHBondContact O-NE1 2.84Å |
| 36 | D | 95.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.048 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 120.1 | 174.1 | -168.4 | -60.9 | 0 | 0 | 0 | 110.2 | I38 Q39 S40 | D36-I38 PolarHBondContact O-N 2.86Å; D36-I38 WeakPolarHBondContact OD1-CA 3.29Å; D36-I38 VanDerWaalsContact OD1-CB 3.28Å; D36-I38 WeakPolarHBondContact OD1-CB 3.39Å; D36-I38 PolarHBondContact OD1-N 3.5Å; D36-Q39 HydrophobicContact CB-CB 4.07Å; D36-Q39 HydrophobicContact CB-CG 4.48Å; D36-Q39 PolarHBondContact O-N 3.35Å; D36-Q39 PolarHBondContact OD1-N 3.07Å; D36-S40 CarbonylContact O-C 3.33Å; D36-S40 WeakPolarHBondContact O-CA 3.22Å; D36-S40 PolarHBondContact O-N 3.21Å |
| 37 | I | 94.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.5 | -178.1 | 60 | 171.3 | 0 | 0 | 0 | 113.5 | C44 T56 L57 C59 W133 L135 | I37-C44 HydrophobicContact CG2-CB 4.4Å; I37-C44 WeakPolarHBondContact CG2-SG 3.33Å; I37-T56 HydrophobicContact CB-CG2 4.48Å; I37-L57 HydrophobicContact CD1-CD2 4.29Å; I37-C59 HydrophobicContact CG2-CB 3.37Å; I37-W133 HydrophobicContact CD1-CD2 4.26Å; I37-W133 HydrophobicContact CD1-CE3 3.85Å; I37-W133 HydrophobicContact CD1-CZ3 4.19Å; I37-W133 HydrophobicContact CG1-CB 4.48Å; I37-W133 HydrophobicContact CG1-CD2 3.92Å; I37-W133 HydrophobicContact CG1-CE3 4.04Å; I37-W133 HydrophobicContact CG1-CG 4.14Å; I37-W133 HydrophobicContact CG2-CD2 4.38Å; I37-W133 HydrophobicContact CG2-CE3 4.4Å; I37-W133 HydrophobicContact CG2-CH2 3.78Å; I37-W133 HydrophobicContact CG2-CZ2 3.71Å; I37-W133 HydrophobicContact CG2-CZ3 4.15Å; I37-L135 HydrophobicContact CD1-CD2 3.4Å; I37-L135 HydrophobicContact CG1-CD2 3.96Å |
| 38 | I | 92.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 68.3 Ų | 68.3 | 46% | 0.456 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -43.4 | 179.8 | -53.7 | -57 | 0 | 0 | 0 | 110.2 | D36 L135 | D36-I38 PolarHBondContact O-N 2.86Å; D36-I38 WeakPolarHBondContact OD1-CA 3.29Å; D36-I38 VanDerWaalsContact OD1-CB 3.28Å; D36-I38 WeakPolarHBondContact OD1-CB 3.39Å; D36-I38 PolarHBondContact OD1-N 3.5Å; I38-L135 HydrophobicContact CD1-CD2 4Å; I38-L135 HydrophobicContact CG1-CD2 4.31Å |
| 39 | Q | 92 | Very high | 94.5 | Very high | 156 Ų | 156 | 66 Ų | 66 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -20.3 | -172.5 | -56.8 | -177.3 | 1 | 0 | 0 | 114.6 | D36 | D36-Q39 HydrophobicContact CB-CB 4.07Å; D36-Q39 HydrophobicContact CB-CG 4.48Å; D36-Q39 PolarHBondContact O-N 3.35Å; D36-Q39 PolarHBondContact OD1-N 3.07Å |
| 40 | S | 91.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 70 Ų | 70 | 18% | 0.175 | 36% | 0.356 | C | S | . | . | trans | -145.2 | 55.7 | -171.8 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | D36 E42 K43 C44 | D36-S40 CarbonylContact O-C 3.33Å; D36-S40 WeakPolarHBondContact O-CA 3.22Å; D36-S40 PolarHBondContact O-N 3.21Å; S40-E42 WeakPolarHBondContact CA-OE1 3.19Å; S40-E42 PolarHBondContact O-N 3.31Å; S40-K43 PolarHBondContact O-N 3.27Å; S40-C44 PolarHBondContact O-N 2.88Å | ||
| 41 | K | 91.1 | Very high | 94.4 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 24% | 0.243 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -50.8 | -42 | 179.8 | 172.9 | -177.6 | 179.2 | -171.6 | 0 | 112.2 | K43 C44 L45 F53 A54 T56 | K41-K43 VanDerWaalsContact C-N 3.28Å; K41-K43 PolarHBondContact O-N 3.5Å; K41-C44 WeakPolarHBondContact O-CB 3.33Å; K41-C44 PolarHBondContact O-N 3.12Å; K41-C44 VanDerWaalsContact O-N 3.11Å; K41-L45 HydrophobicContact CG-CD1 4.4Å; K41-L45 PolarHBondContact O-N 3.06Å; K41-F53 PolarHBondContact NZ-O 3.21Å; K41-A54 WeakPolarHBondContact CD-O 3.18Å; K41-A54 PolarHBondContact NZ-O 3.44Å; K41-T56 HydrophobicContact CD-CG2 4.46Å; K41-T56 HydrophobicContact CG-CG2 3.87Å |
| 42 | E | 92.6 | Very high | 94.4 | Very high | 117 Ų | 117 | 76.7 Ų | 76.7 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -32.1 | -179.3 | 69.4 | -65.1 | 154.4 | 0 | 0 | 113.1 | S40 L45 | S40-E42 WeakPolarHBondContact CA-OE1 3.19Å; S40-E42 PolarHBondContact O-N 3.31Å; E42-L45 CarbonylContact O-C 3.55Å |
| 43 | K | 96.3 | Very high | 94.2 | Very high | 129 Ų | 129 | 71.5 Ų | 71.5 | 56% | 0.561 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -78.2 | -30 | 174.1 | -65.3 | -176.7 | -175.2 | 175 | 0 | 112.1 | P35 S40 K41 L45 | P35-K43 HydrophobicContact CB-CB 3.68Å; P35-K43 HydrophobicContact CG-CB 3.75Å; S40-K43 PolarHBondContact O-N 3.27Å; K41-K43 VanDerWaalsContact C-N 3.28Å; K41-K43 PolarHBondContact O-N 3.5Å; K43-L45 VanDerWaalsContact C-N 3.31Å |
| 44 | C | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -72.2 | -24.9 | 173.1 | -86.2 | 0 | 0 | 0 | 0 | 113.3 | I37 S40 K41 C59 D60 | I37-C44 HydrophobicContact CG2-CB 4.4Å; I37-C44 WeakPolarHBondContact CG2-SG 3.33Å; S40-C44 PolarHBondContact O-N 2.88Å; K41-C44 WeakPolarHBondContact O-CB 3.33Å; K41-C44 PolarHBondContact O-N 3.12Å; K41-C44 VanDerWaalsContact O-N 3.11Å; C44-C59 WeakPolarHBondContact CA-SG 3.46Å; C44-C59 HydrophobicContact CB-CB 3.85Å; C44-C59 WeakPolarHBondContact CB-SG 3.43Å; C44-C59 WeakPolarHBondContact SG-CB 3.36Å; C44-C59 CovalentContact SG-SG 2.05Å; C44-C59 PolarHBondContact SG-SG 3.1Å; C44-D60 CarbonylContact O-C 3.34Å; C44-D60 WeakPolarHBondContact O-CA 3.29Å; C44-D60 PolarHBondContact O-N 3.41Å; C44-D60 VanDerWaalsContact O-O 3.12Å |
| 45 | L | 96.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 73.4 Ų | 73.4 | 6% | 0.063 | 39% | 0.391 | C | S | . | . | trans | -137.8 | 73.2 | -173.5 | -63.2 | 177.2 | 0 | 0 | 0 | 109.6 | K41 E42 K43 Q47 Y51 T56 I70 | K41-L45 HydrophobicContact CG-CD1 4.4Å; K41-L45 PolarHBondContact O-N 3.06Å; E42-L45 CarbonylContact O-C 3.55Å; K43-L45 VanDerWaalsContact C-N 3.31Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 3.47Å; L45-Y51 HydrophobicContact CB-CE1 4.2Å; L45-Y51 HydrophobicContact CD1-CD1 4.03Å; L45-Y51 HydrophobicContact CD1-CE1 3.76Å; L45-Y51 HydrophobicContact CD2-CE1 4.41Å; L45-Y51 HydrophobicContact CG-CE1 4.36Å; L45-T56 HydrophobicContact CD1-CG2 3.8Å; L45-T56 HydrophobicContact CG-CG2 4.42Å; L45-I70 HydrophobicContact CD1-CG2 4.11Å; L45-I70 HydrophobicContact CD2-CD1 3.86Å; L45-I70 HydrophobicContact CD2-CG1 4.07Å; L45-I70 HydrophobicContact CD2-CG2 3.9Å | ||
| 46 | P | 93.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 72.7 Ų | 72.7 | 49% | 0.494 | 39% | 0.386 | S | S | . | . | trans | -73.1 | -17.2 | -172.5 | 29.9 | -36.8 | 0 | 0 | 0 | 113.6 | P61 | P46-P61 WeakPolarHBondContact CG-O 3.39Š| ||
| 47 | Q | 93 | Very high | 93.6 | Very high | 67 Ų | 67 | 72.4 Ų | 72.4 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -68.1 | 136.9 | 179 | -66.1 | -178.5 | -7.8 | 0 | 0 | 111.2 | L45 Y51 G63 L65 V67 | L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 3.47Å; Q47-Y51 WeakPolarHBondContact O-CE2 3.27Å; Q47-Y51 PolarHBondContact O-OH 3.19Å; Q47-G63 PolarHBondContact NE2-O 3.23Å; Q47-L65 VanDerWaalsContact CD-O 3.27Å; Q47-L65 PolarHBondContact NE2-O 3.37Å; Q47-L65 PolarHBondContact OE1-O 2.96Å; Q47-V67 HydrophobicContact CB-CG2 4.32Å |
| 48 | Q | 92.4 | Very high | 93.8 | Very high | 191 Ų | 191 | 72.1 Ų | 72.1 | 89% | 0.893 | 38% | 0.383 | S | S | * | . | trans | -75.7 | 140.2 | 171.7 | -66.1 | -177.1 | -9.3 | 0 | 0 | 110.9 | ||||
| 49 | G | 93 | Very high | 94.1 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 160.2 | -176.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y51 | G49-Y51 PolarHBondContact O-N 2.59Š|
| 50 | N | 94.5 | Very high | 94.4 | Very high | 150 Ų | 150 | 60.6 Ų | 60.6 | 80% | 0.802 | 33% | 0.328 | S | S | * | . | trans | -86.1 | 96.4 | -177.7 | -65.7 | -23.6 | 0 | 0 | 0 | 110.6 | V67 N71 | N50-V67 WeakPolarHBondContact O-CG1 3.26Å; N50-N71 PolarHBondContact O-ND2 2.91Å | ||
| 51 | Y | 94.9 | Very high | 94.7 | Very high | 55 Ų | 55 | 61 Ų | 61 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | trans | -81.5 | 122.4 | 170.9 | -64.1 | -79.6 | 0 | 0 | 0 | 110.3 | L45 Q47 G49 F53 V67 I70 N71 | L45-Y51 HydrophobicContact CB-CE1 4.2Å; L45-Y51 HydrophobicContact CD1-CD1 4.03Å; L45-Y51 HydrophobicContact CD1-CE1 3.76Å; L45-Y51 HydrophobicContact CD2-CE1 4.41Å; L45-Y51 HydrophobicContact CG-CE1 4.36Å; Q47-Y51 WeakPolarHBondContact O-CE2 3.27Å; Q47-Y51 PolarHBondContact O-OH 3.19Å; G49-Y51 PolarHBondContact O-N 2.59Å; Y51-F53 PolarHBondContact O-N 3.28Å; Y51-V67 HydrophobicContact CD1-CG1 4.12Å; Y51-V67 HydrophobicContact CE1-CG1 4.06Å; Y51-V67 HydrophobicContact CE1-CG2 4.28Å; Y51-I70 HydrophobicContact CD1-CG2 4.02Å; Y51-I70 HydrophobicContact CE1-CB 4.32Å; Y51-I70 HydrophobicContact CE1-CG2 3.88Å; Y51-N71 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 52 | E | 94.5 | Very high | 95 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -68.6 | -22.4 | -176.3 | -77.8 | 164.9 | -147.6 | 0 | 0 | 113.3 | N71 | E52-N71 HydrophobicContact CB-CB 4.47Å; E52-N71 HydrophobicContact CG-CB 4.31Å; E52-N71 WeakPolarHBondContact CG-ND2 3.42Å; E52-N71 PolarHBondContact N-OD1 2.84Å; E52-N71 PolarHBondContact OE1-ND2 3.46Å |
| 53 | F | 92 | Very high | 95.2 | Very high | 54 Ų | 54 | 58 Ų | 58 | 24% | 0.237 | 33% | 0.325 | C | S | . | . | trans | -114.7 | 134.1 | -175.2 | -60.2 | -92.1 | 0 | 0 | 0 | 111.7 | K41 Y51 S55 N74 T75 H78 | K41-F53 PolarHBondContact NZ-O 3.21Å; Y51-F53 PolarHBondContact O-N 3.28Å; F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 VanDerWaalsContact CB-O 3.22Å; F53-S55 WeakPolarHBondContact CB-O 3.38Å; F53-S55 PolarHBondContact O-N 3.1Å; F53-N74 HydrophobicContact CD2-CB 3.62Å; F53-N74 HydrophobicContact CE2-CB 3.97Å; F53-N74 HydrophobicContact CG-CB 4.26Å; F53-T75 WeakPolarHBondContact CE2-OG1 3.34Å; F53-H78 HydrophobicContact CD1-CB 4.31Å; F53-H78 AromaticContact CD1-CD2 3.19Å; F53-H78 WeakPolarHBondContact CD1-CD2 3.05Å; F53-H78 AromaticContact CD1-CG 3.84Å; F53-H78 AromaticContact CD1-NE2 3.71Å; F53-H78 HydrophobicContact CE1-CB 3.95Å; F53-H78 AromaticContact CE1-CD2 3.62Å; F53-H78 AromaticContact CE1-CG 4Å; F53-H78 AromaticContact CG-CD2 3.53Å; F53-H78 AromaticContact CG-NE2 3.83Å | ||
| 54 | A | 89.6 | Confident | 95.3 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 81% | 0.81 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -61.1 | -39.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K41 | K41-A54 WeakPolarHBondContact CD-O 3.18Å; K41-A54 PolarHBondContact NZ-O 3.44Å |
| 55 | S | 92.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 54 Ų | 54 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -108.4 | 142.5 | 172.7 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | F53 H78 | F53-S55 VanDerWaalsContact C-N 3.3Å; F53-S55 VanDerWaalsContact CB-O 3.22Å; F53-S55 WeakPolarHBondContact CB-O 3.38Å; F53-S55 PolarHBondContact O-N 3.1Å; S55-H78 PolarHBondContact O-NE2 2.65Å; S55-H78 PolarHBondContact OG-CE1 2.97Å |
| 56 | T | 95.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | trans | -106.8 | 148.8 | 174.6 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | I37 K41 L45 V58 N74 | I37-T56 HydrophobicContact CB-CG2 4.48Å; K41-T56 HydrophobicContact CD-CG2 4.46Å; K41-T56 HydrophobicContact CG-CG2 3.87Å; L45-T56 HydrophobicContact CD1-CG2 3.8Å; L45-T56 HydrophobicContact CG-CG2 4.42Å; T56-V58 WeakPolarHBondContact CG2-O 3.44Å; T56-V58 PolarHBondContact OG1-N 3.39Å; T56-V58 PolarHBondContact OG1-O 3.48Å; T56-N74 WeakPolarHBondContact CA-OD1 3.43Å; T56-N74 PolarHBondContact OG1-ND2 3.48Å; T56-N74 PolarHBondContact OG1-OD1 3.3Å | ||
| 57 | L | 97.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -111.6 | 8.7 | 168 | -69.7 | 173.5 | 0 | 0 | 0 | 111.6 | I37 N74 L77 V99 I100 G101 V102 L135 | I37-L57 HydrophobicContact CD1-CD2 4.29Å; L57-N74 PolarHBondContact N-OD1 3.23Å; L57-L77 HydrophobicContact CB-CB 3.97Å; L57-L77 HydrophobicContact CB-CD1 3.71Å; L57-L77 HydrophobicContact CB-CG 4.37Å; L57-L77 HydrophobicContact CD1-CB 3.7Å; L57-L77 HydrophobicContact CG-CB 4.47Å; L57-V99 HydrophobicContact CD1-CG1 4.48Å; L57-V99 HydrophobicContact CD2-CG1 4.09Å; L57-I100 WeakPolarHBondContact CB-O 3.45Å; L57-G101 CarbonylContact O-C 3.54Å; L57-G101 WeakPolarHBondContact O-CA 3.4Å; L57-V102 PolarHBondContact O-N 2.99Å; L57-L135 HydrophobicContact CD2-CD2 4.41Å |
| 58 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.2 | 175 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | T56 I70 L73 L77 V102 I104 | T56-V58 WeakPolarHBondContact CG2-O 3.44Å; T56-V58 PolarHBondContact OG1-N 3.39Å; T56-V58 PolarHBondContact OG1-O 3.48Å; V58-I70 HydrophobicContact CB-CD1 4.19Å; V58-I70 HydrophobicContact CG1-CD1 3.61Å; V58-L73 HydrophobicContact CG2-CB 3.89Å; V58-L73 HydrophobicContact CG2-CD1 4.32Å; V58-L77 HydrophobicContact CG2-CD1 3.55Å; V58-V102 CarbonylContact C-O 3.56Å; V58-V102 WeakPolarHBondContact CA-O 3.33Å; V58-V102 HydrophobicContact CG1-CB 4.36Å; V58-V102 HydrophobicContact CG1-CG1 4.41Å; V58-V102 HydrophobicContact CG2-CB 4.26Å; V58-I104 HydrophobicContact CG1-CD1 4Å |
| 59 | C | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.4 | 167.9 | -156.6 | 0 | 0 | 0 | 0 | 109.5 | Y34 I37 C44 V102 I104 W133 | Y34-C59 HydrophobicContact CE1-CB 3.94Å; Y34-C59 PolarHBondContact OH-O 3.49Å; I37-C59 HydrophobicContact CG2-CB 3.37Å; C44-C59 WeakPolarHBondContact CA-SG 3.46Å; C44-C59 HydrophobicContact CB-CB 3.85Å; C44-C59 WeakPolarHBondContact CB-SG 3.43Å; C44-C59 WeakPolarHBondContact SG-CB 3.36Å; C44-C59 CovalentContact SG-SG 2.05Å; C44-C59 PolarHBondContact SG-SG 3.1Å; C59-V102 PolarHBondContact N-O 2.85Å; C59-I104 PolarHBondContact O-N 3.29Å; C59-W133 HydrophobicContact CB-CH2 3.53Å; C59-W133 HydrophobicContact CB-CZ2 3.68Å |
| 60 | D | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | trans | -136.3 | 70.9 | 178.8 | 178.5 | 21.6 | 0 | 0 | 0 | 109.3 | C44 D62 G63 L64 L65 I70 I104 | C44-D60 CarbonylContact O-C 3.34Å; C44-D60 WeakPolarHBondContact O-CA 3.29Å; C44-D60 PolarHBondContact O-N 3.41Å; C44-D60 VanDerWaalsContact O-O 3.12Å; D60-D62 PolarHBondContact O-N 3.24Å; D60-G63 PolarHBondContact O-N 3Å; D60-G63 VanDerWaalsContact O-N 3.09Å; D60-G63 PolarHBondContact OD1-N 2.89Å; D60-L64 VanDerWaalsContact CG-N 3.31Å; D60-L64 PolarHBondContact OD1-N 3.47Å; D60-L64 PolarHBondContact OD2-N 3.37Å; D60-L65 WeakPolarHBondContact OD2-CB 3.33Å; D60-L65 PolarHBondContact OD2-N 3.06Å; D60-I70 HydrophobicContact CB-CD1 4.25Å; D60-I104 HydrophobicContact CB-CB 4.31Å; D60-I104 HydrophobicContact CB-CD1 4.34Å | ||
| 61 | P | 98 | Very high | 96.5 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.6 | -176.4 | 27 | -35 | 0 | 0 | 0 | 113.3 | Y34 P35 P46 G63 | Y34-P61 HydrophobicContact CD2-CG 4.19Å; Y34-P61 HydrophobicContact CE2-CG 3.51Å; Y34-P61 WeakPolarHBondContact OH-CD 3.39Å; P35-P61 HydrophobicContact CG-CB 4.09Å; P46-P61 WeakPolarHBondContact CG-O 3.39Å; P61-G63 VanDerWaalsContact C-N 3.32Å |
| 62 | D | 97.3 | Very high | 96.7 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.5 | 177.8 | -66.1 | -49.8 | 0 | 0 | 0 | 112.7 | D60 L64 K106 | D60-D62 PolarHBondContact O-N 3.24Å; D62-L64 VanDerWaalsContact C-N 3.35Å; D62-L64 HydrophobicContact CB-CD1 4.31Å; D62-L64 HydrophobicContact CB-CD2 4.3Å; D62-L64 HydrophobicContact CB-CG 3.91Å; D62-L64 PolarHBondContact O-N 2.91Å; D62-K106 HydrophobicContact CB-CB 4.23Å; D62-K106 WeakPolarHBondContact OD2-CB 3.21Å; D62-K106 PolarHBondContact OD2-N 3.42Å |
| 63 | G | 97.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | trans | 61.5 | 39.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q47 D60 P61 L65 | Q47-G63 PolarHBondContact NE2-O 3.23Å; D60-G63 PolarHBondContact O-N 3Å; D60-G63 VanDerWaalsContact O-N 3.09Å; D60-G63 PolarHBondContact OD1-N 2.89Å; P61-G63 VanDerWaalsContact C-N 3.32Å; G63-L65 VanDerWaalsContact C-N 3.29Å | ||
| 64 | L | 98.1 | Very high | 97.2 | Very high | 43 Ų | 43 | 30 Ų | 30 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | trans | -73.4 | -22 | -179.7 | -61.5 | 173.9 | 0 | 0 | 0 | 113.1 | D60 D62 I104 K106 K152 I189 | D60-L64 VanDerWaalsContact CG-N 3.31Å; D60-L64 PolarHBondContact OD1-N 3.47Å; D60-L64 PolarHBondContact OD2-N 3.37Å; D62-L64 VanDerWaalsContact C-N 3.35Å; D62-L64 HydrophobicContact CB-CD1 4.31Å; D62-L64 HydrophobicContact CB-CD2 4.3Å; D62-L64 HydrophobicContact CB-CG 3.91Å; D62-L64 PolarHBondContact O-N 2.91Å; L64-I104 HydrophobicContact CD1-CG2 3.77Å; L64-K106 HydrophobicContact CD1-CB 4.24Å; L64-K106 HydrophobicContact CD2-CB 4.43Å; L64-K106 HydrophobicContact CD2-CG 4.5Å; L64-K152 HydrophobicContact CD1-CB 4.2Å; L64-K152 HydrophobicContact CD1-CD 4.25Å; L64-K152 HydrophobicContact CD2-CD 4.05Å; L64-I189 HydrophobicContact CB-CD1 4.29Å | ||
| 65 | L | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -107.1 | 150.1 | 175.2 | -60.2 | -173.5 | 0 | 0 | 0 | 110.5 | Q47 D60 G63 Q69 I70 L73 I104 I189 | Q47-L65 VanDerWaalsContact CD-O 3.27Å; Q47-L65 PolarHBondContact NE2-O 3.37Å; Q47-L65 PolarHBondContact OE1-O 2.96Å; D60-L65 WeakPolarHBondContact OD2-CB 3.33Å; D60-L65 PolarHBondContact OD2-N 3.06Å; G63-L65 VanDerWaalsContact C-N 3.29Å; L65-Q69 HydrophobicContact CB-CB 4.14Å; L65-I70 HydrophobicContact CB-CD1 3.85Å; L65-I70 HydrophobicContact CB-CG1 4.07Å; L65-I70 HydrophobicContact CD1-CD1 3.79Å; L65-I70 HydrophobicContact CG-CD1 4.38Å; L65-L73 HydrophobicContact CD1-CD1 3.56Å; L65-I104 HydrophobicContact CD1-CD1 3.39Å; L65-I104 HydrophobicContact CG-CD1 3.98Å; L65-I189 HydrophobicContact CD2-CB 3.77Å; L65-I189 HydrophobicContact CD2-CG2 3.84Å |
| 66 | S | 97.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | trans | -76.9 | 159 | 168.1 | 63.8 | 0 | 0 | 0 | 0 | 111.7 | A68 Q69 I70 | S66-A68 PolarHBondContact O-N 3.5Å; S66-Q69 WeakPolarHBondContact O-CB 3.49Å; S66-Q69 PolarHBondContact O-N 2.91Å; S66-Q69 WeakPolarHBondContact OG-CG 3.4Å; S66-Q69 PolarHBondContact OG-N 3.42Å; S66-Q69 PolarHBondContact OG-OE1 3.38Å; S66-I70 WeakPolarHBondContact O-CG1 3.39Å; S66-I70 PolarHBondContact O-N 2.86Å | ||
| 67 | V | 97.4 | Very high | 98 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.4 | -39.8 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | Q47 N50 Y51 Q69 I70 N71 | Q47-V67 HydrophobicContact CB-CG2 4.32Å; N50-V67 WeakPolarHBondContact O-CG1 3.26Å; Y51-V67 HydrophobicContact CD1-CG1 4.12Å; Y51-V67 HydrophobicContact CE1-CG1 4.06Å; Y51-V67 HydrophobicContact CE1-CG2 4.28Å; V67-Q69 PolarHBondContact O-N 2.85Å; V67-I70 PolarHBondContact O-N 3.33Å; V67-N71 PolarHBondContact O-N 3.23Å |
| 68 | A | 97.9 | Very high | 98 | Very high | 71 Ų | 71 | 29.7 Ų | 29.7 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -63.7 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S66 N71 M72 | S66-A68 PolarHBondContact O-N 3.5Å; A68-N71 PolarHBondContact O-N 2.71Å; A68-M72 WeakPolarHBondContact O-CB 3.28Å; A68-M72 PolarHBondContact O-N 2.97Å |
| 69 | Q | 98.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -39.1 | 175.6 | -71.7 | 166.3 | -59.6 | 0 | 0 | 111.5 | L65 S66 V67 M72 L73 S190 | L65-Q69 HydrophobicContact CB-CB 4.14Å; S66-Q69 WeakPolarHBondContact O-CB 3.49Å; S66-Q69 PolarHBondContact O-N 2.91Å; S66-Q69 WeakPolarHBondContact OG-CG 3.4Å; S66-Q69 PolarHBondContact OG-N 3.42Å; S66-Q69 PolarHBondContact OG-OE1 3.38Å; V67-Q69 PolarHBondContact O-N 2.85Å; Q69-M72 PolarHBondContact O-N 2.92Å; Q69-L73 WeakPolarHBondContact O-CG 3.42Å; Q69-L73 PolarHBondContact O-N 2.86Å; Q69-S190 WeakPolarHBondContact CG-OG 3.43Å; Q69-S190 PolarHBondContact NE2-OG 2.8Å |
| 70 | I | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.2 | -64.8 | -64.9 | 0 | 0 | 0 | 111.3 | L45 Y51 V58 D60 L65 S66 V67 L73 N74 | L45-I70 HydrophobicContact CD1-CG2 4.11Å; L45-I70 HydrophobicContact CD2-CD1 3.86Å; L45-I70 HydrophobicContact CD2-CG1 4.07Å; L45-I70 HydrophobicContact CD2-CG2 3.9Å; Y51-I70 HydrophobicContact CD1-CG2 4.02Å; Y51-I70 HydrophobicContact CE1-CB 4.32Å; Y51-I70 HydrophobicContact CE1-CG2 3.88Å; V58-I70 HydrophobicContact CB-CD1 4.19Å; V58-I70 HydrophobicContact CG1-CD1 3.61Å; D60-I70 HydrophobicContact CB-CD1 4.25Å; L65-I70 HydrophobicContact CB-CD1 3.85Å; L65-I70 HydrophobicContact CB-CG1 4.07Å; L65-I70 HydrophobicContact CD1-CD1 3.79Å; L65-I70 HydrophobicContact CG-CD1 4.38Å; S66-I70 WeakPolarHBondContact O-CG1 3.39Å; S66-I70 PolarHBondContact O-N 2.86Å; V67-I70 PolarHBondContact O-N 3.33Å; I70-L73 PolarHBondContact O-N 2.98Å; I70-N74 VanDerWaalsContact CG2-ND2 3.33Å; I70-N74 WeakPolarHBondContact CG2-ND2 3.35Å; I70-N74 WeakPolarHBondContact O-CB 3.4Å; I70-N74 PolarHBondContact O-N 3.34Å; I70-N74 PolarHBondContact O-ND2 3.29Å; I70-N74 VanDerWaalsContact O-ND2 3.08Å |
| 71 | N | 98.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.6 | -74.5 | -12.9 | 0 | 0 | 0 | 111.8 | N50 Y51 E52 V67 A68 L73 N74 T75 | N50-N71 PolarHBondContact O-ND2 2.91Å; Y51-N71 WeakPolarHBondContact CA-OD1 3.32Å; E52-N71 HydrophobicContact CB-CB 4.47Å; E52-N71 HydrophobicContact CG-CB 4.31Å; E52-N71 WeakPolarHBondContact CG-ND2 3.42Å; E52-N71 PolarHBondContact N-OD1 2.84Å; E52-N71 PolarHBondContact OE1-ND2 3.46Å; V67-N71 PolarHBondContact O-N 3.23Å; A68-N71 PolarHBondContact O-N 2.71Å; N71-L73 PolarHBondContact O-N 3.46Å; N71-N74 PolarHBondContact O-N 2.92Å; N71-T75 WeakPolarHBondContact O-CB 3.45Å; N71-T75 PolarHBondContact O-N 3.15Å; N71-T75 PolarHBondContact O-OG1 2.93Å |
| 72 | M | 98.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 175.4 | 179.3 | -163.7 | 64.9 | 0 | 0 | 111.7 | A68 Q69 T75 K76 A194 | A68-M72 WeakPolarHBondContact O-CB 3.28Å; A68-M72 PolarHBondContact O-N 2.97Å; Q69-M72 PolarHBondContact O-N 2.92Å; M72-T75 WeakPolarHBondContact O-CB 3.44Å; M72-T75 PolarHBondContact O-N 3.5Å; M72-K76 PolarHBondContact O-N 3.24Å; M72-A194 HydrophobicContact CE-CB 4.35Å |
| 73 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 178.1 | -69.4 | -179.2 | 0 | 0 | 0 | 111.4 | V58 L65 Q69 I70 N71 T75 K76 L77 I193 A194 I197 | V58-L73 HydrophobicContact CG2-CB 3.89Å; V58-L73 HydrophobicContact CG2-CD1 4.32Å; L65-L73 HydrophobicContact CD1-CD1 3.56Å; Q69-L73 WeakPolarHBondContact O-CG 3.42Å; Q69-L73 PolarHBondContact O-N 2.86Å; I70-L73 PolarHBondContact O-N 2.98Å; N71-L73 PolarHBondContact O-N 3.46Å; L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.25Å; L73-K76 PolarHBondContact O-N 3.38Å; L73-K76 VanDerWaalsContact O-N 3.14Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 2.82Å; L73-I193 HydrophobicContact CD1-CB 4.37Å; L73-I193 HydrophobicContact CD1-CD1 4.45Å; L73-I193 HydrophobicContact CD1-CG2 3.99Å; L73-I193 HydrophobicContact CD2-CB 4.11Å; L73-I193 HydrophobicContact CD2-CG2 3.75Å; L73-A194 HydrophobicContact CD2-CB 3.96Å; L73-I197 HydrophobicContact CD2-CD1 4.03Å |
| 74 | N | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | 177.8 | -85.8 | -57 | 0 | 0 | 0 | 112.7 | F53 T56 L57 I70 N71 K76 L77 H78 | F53-N74 HydrophobicContact CD2-CB 3.62Å; F53-N74 HydrophobicContact CE2-CB 3.97Å; F53-N74 HydrophobicContact CG-CB 4.26Å; T56-N74 WeakPolarHBondContact CA-OD1 3.43Å; T56-N74 PolarHBondContact OG1-ND2 3.48Å; T56-N74 PolarHBondContact OG1-OD1 3.3Å; L57-N74 PolarHBondContact N-OD1 3.23Å; I70-N74 VanDerWaalsContact CG2-ND2 3.33Å; I70-N74 WeakPolarHBondContact CG2-ND2 3.35Å; I70-N74 WeakPolarHBondContact O-CB 3.4Å; I70-N74 PolarHBondContact O-N 3.34Å; I70-N74 PolarHBondContact O-ND2 3.29Å; I70-N74 VanDerWaalsContact O-ND2 3.08Å; N71-N74 PolarHBondContact O-N 2.92Å; N74-K76 VanDerWaalsContact C-N 3.33Å; N74-K76 PolarHBondContact O-N 3.02Å; N74-L77 PolarHBondContact O-N 3.16Å; N74-H78 WeakPolarHBondContact O-CB 3.47Å; N74-H78 PolarHBondContact O-CD2 2.97Å; N74-H78 PolarHBondContact O-N 3.49Å |
| 75 | T | 98.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.8 | -47.9 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | F53 N71 M72 L73 H79 | F53-T75 WeakPolarHBondContact CE2-OG1 3.34Å; N71-T75 WeakPolarHBondContact O-CB 3.45Å; N71-T75 PolarHBondContact O-N 3.15Å; N71-T75 PolarHBondContact O-OG1 2.93Å; M72-T75 WeakPolarHBondContact O-CB 3.44Å; M72-T75 PolarHBondContact O-N 3.5Å; L73-T75 VanDerWaalsContact C-N 3.28Å; L73-T75 PolarHBondContact O-N 3.25Å; T75-H79 VanDerWaalsContact O-CB 3.26Å; T75-H79 WeakPolarHBondContact O-CB 3.33Å; T75-H79 PolarHBondContact O-N 3.04Å |
| 76 | K | 98.4 | Very high | 96.3 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 177.6 | -69.3 | 177.5 | 167.7 | -71 | 0 | 112.3 | M72 L73 N74 H79 I80 A194 I197 E198 | M72-K76 PolarHBondContact O-N 3.24Å; L73-K76 PolarHBondContact O-N 3.38Å; L73-K76 VanDerWaalsContact O-N 3.14Å; N74-K76 VanDerWaalsContact C-N 3.33Å; N74-K76 PolarHBondContact O-N 3.02Å; K76-H79 PolarHBondContact O-N 3.37Å; K76-I80 WeakPolarHBondContact O-CG1 3.48Å; K76-I80 PolarHBondContact O-N 2.88Å; K76-A194 HydrophobicContact CD-CB 4.02Å; K76-I197 HydrophobicContact CB-CG2 3.93Å; K76-E198 IonicContact NZ-OE2 3.15Å; K76-E198 PolarHBondContact NZ-OE2 3.43Å; K76-E198 VanDerWaalsContact NZ-OE2 3.15Å |
| 77 | L | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | -178.2 | -65.5 | 165.8 | 0 | 0 | 0 | 112 | L57 V58 L73 N74 I80 R81 I100 V102 I197 | L57-L77 HydrophobicContact CB-CB 3.97Å; L57-L77 HydrophobicContact CB-CD1 3.71Å; L57-L77 HydrophobicContact CB-CG 4.37Å; L57-L77 HydrophobicContact CD1-CB 3.7Å; L57-L77 HydrophobicContact CG-CB 4.47Å; V58-L77 HydrophobicContact CG2-CD1 3.55Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.48Å; L73-L77 PolarHBondContact O-N 2.82Å; N74-L77 PolarHBondContact O-N 3.16Å; L77-I80 PolarHBondContact O-N 3.48Å; L77-R81 WeakPolarHBondContact O-CB 3.37Å; L77-R81 PolarHBondContact O-N 3.09Å; L77-I100 HydrophobicContact CD2-CB 3.65Å; L77-I100 HydrophobicContact CD2-CG2 3.85Å; L77-V102 HydrophobicContact CD1-CG2 3.93Å; L77-V102 HydrophobicContact CD2-CG2 4.15Å; L77-I197 HydrophobicContact CD1-CD1 4.32Å; L77-I197 HydrophobicContact CD2-CD1 3.61Å; L77-I197 HydrophobicContact CD2-CG1 3.88Å; L77-I197 HydrophobicContact CD2-CG2 4.22Å; L77-I197 HydrophobicContact CG-CD1 3.87Å |
| 78 | H | 96.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.106 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.1 | -34.9 | 176.2 | -78.3 | -64 | 0 | 0 | 0 | 112.5 | F53 S55 N74 R81 T82 | F53-H78 HydrophobicContact CD1-CB 4.31Å; F53-H78 AromaticContact CD1-CD2 3.19Å; F53-H78 WeakPolarHBondContact CD1-CD2 3.05Å; F53-H78 AromaticContact CD1-CG 3.84Å; F53-H78 AromaticContact CD1-NE2 3.71Å; F53-H78 HydrophobicContact CE1-CB 3.95Å; F53-H78 AromaticContact CE1-CD2 3.62Å; F53-H78 AromaticContact CE1-CG 4Å; F53-H78 AromaticContact CG-CD2 3.53Å; F53-H78 AromaticContact CG-NE2 3.83Å; S55-H78 PolarHBondContact O-NE2 2.65Å; S55-H78 PolarHBondContact OG-CE1 2.97Å; N74-H78 WeakPolarHBondContact O-CB 3.47Å; N74-H78 PolarHBondContact O-CD2 2.97Å; N74-H78 PolarHBondContact O-N 3.49Å; H78-R81 PolarHBondContact O-N 3Å; H78-T82 WeakPolarHBondContact O-CB 3.4Å; H78-T82 WeakPolarHBondContact O-CG2 3.24Å; H78-T82 PolarHBondContact O-N 3.38Å; H78-T82 VanDerWaalsContact O-N 3.11Å; H78-T82 PolarHBondContact O-OG1 3.26Å |
| 79 | H | 96.1 | Very high | 95.1 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 43% | 0.431 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.4 | -52.8 | 170.1 | 175.1 | -106.8 | 0 | 0 | 0 | 110.3 | T75 K76 R81 T82 S83 | T75-H79 VanDerWaalsContact O-CB 3.26Å; T75-H79 WeakPolarHBondContact O-CB 3.33Å; T75-H79 PolarHBondContact O-N 3.04Å; K76-H79 PolarHBondContact O-N 3.37Å; H79-R81 VanDerWaalsContact C-N 3.3Å; H79-R81 PolarHBondContact O-N 3.46Å; H79-T82 PolarHBondContact O-N 2.98Å; H79-T82 VanDerWaalsContact O-N 3.07Å; H79-T82 PolarHBondContact O-OG1 2.94Å; H79-S83 PolarHBondContact CD2-OG 3.31Å; H79-S83 PolarHBondContact CE1-OG 2.89Å; H79-S83 PolarHBondContact NE2-OG 3.45Å; H79-S83 WeakPolarHBondContact O-CB 3.22Å; H79-S83 PolarHBondContact O-N 2.99Å; H79-S83 PolarHBondContact O-OG 2.92Å |
| 80 | I | 95.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.6 | -46.1 | 177.3 | -72.3 | 172.4 | 0 | 0 | 0 | 111.8 | K76 L77 T82 V84 P98 I100 I197 R201 | K76-I80 WeakPolarHBondContact O-CG1 3.48Å; K76-I80 PolarHBondContact O-N 2.88Å; L77-I80 PolarHBondContact O-N 3.48Å; I80-T82 PolarHBondContact O-N 3.18Å; I80-V84 HydrophobicContact CB-CG2 4.29Å; I80-V84 HydrophobicContact CG1-CG2 4.32Å; I80-V84 HydrophobicContact CG2-CG2 4.08Å; I80-V84 WeakPolarHBondContact O-CB 3.36Å; I80-V84 PolarHBondContact O-N 3.41Å; I80-P98 HydrophobicContact CG2-CB 4.25Å; I80-P98 HydrophobicContact CG2-CG 3.61Å; I80-I100 HydrophobicContact CD1-CD1 3.98Å; I80-I100 HydrophobicContact CG2-CD1 4.27Å; I80-I197 HydrophobicContact CD1-CG2 3.31Å; I80-R201 HydrophobicContact CD1-CB 3.82Å; I80-R201 HydrophobicContact CD1-CG 4.34Å; I80-R201 HydrophobicContact CG1-CB 4.01Å; I80-R201 HydrophobicContact CG1-CG 3.96Å |
| 81 | R | 94.5 | Very high | 94 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 18% | 0.181 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -25.2 | -179.4 | 175.7 | 174.5 | -178.1 | -158.9 | -0.5 | 113.5 | L77 H78 H79 F86 V99 | L77-R81 WeakPolarHBondContact O-CB 3.37Å; L77-R81 PolarHBondContact O-N 3.09Å; H78-R81 PolarHBondContact O-N 3Å; H79-R81 VanDerWaalsContact C-N 3.3Å; H79-R81 PolarHBondContact O-N 3.46Å; R81-F86 WeakPolarHBondContact O-CE2 3.42Å; R81-F86 WeakPolarHBondContact O-CZ 3.31Å; R81-V99 HydrophobicContact CG-CG2 4.02Å |
| 82 | T | 92.9 | Very high | 93.5 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 53% | 0.534 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -116 | -14.6 | -171.8 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | H78 H79 I80 F86 | H78-T82 WeakPolarHBondContact O-CB 3.4Å; H78-T82 WeakPolarHBondContact O-CG2 3.24Å; H78-T82 PolarHBondContact O-N 3.38Å; H78-T82 VanDerWaalsContact O-N 3.11Å; H78-T82 PolarHBondContact O-OG1 3.26Å; H79-T82 PolarHBondContact O-N 2.98Å; H79-T82 VanDerWaalsContact O-N 3.07Å; H79-T82 PolarHBondContact O-OG1 2.94Å; I80-T82 PolarHBondContact O-N 3.18Å; T82-F86 VanDerWaalsContact C-CD2 3.41Å; T82-F86 VanDerWaalsContact O-CD2 3.27Å; T82-F86 WeakPolarHBondContact O-CD2 3.44Å; T82-F86 VanDerWaalsContact O-CG 3.32Å; T82-F86 WeakPolarHBondContact O-CG 3.36Å |
| 83 | S | 92.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -114 | -34.4 | -177.2 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | H79 N85 F86 | H79-S83 PolarHBondContact CD2-OG 3.31Å; H79-S83 PolarHBondContact CE1-OG 2.89Å; H79-S83 PolarHBondContact NE2-OG 3.45Å; H79-S83 WeakPolarHBondContact O-CB 3.22Å; H79-S83 PolarHBondContact O-N 2.99Å; H79-S83 PolarHBondContact O-OG 2.92Å; S83-N85 PolarHBondContact O-N 2.99Å; S83-N85 VanDerWaalsContact O-N 3.17Å; S83-F86 PolarHBondContact O-N 2.92Å |
| 84 | V | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 116.9 | -171 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | I80 F86 P98 R201 V204 E205 | I80-V84 HydrophobicContact CB-CG2 4.29Å; I80-V84 HydrophobicContact CG1-CG2 4.32Å; I80-V84 HydrophobicContact CG2-CG2 4.08Å; I80-V84 WeakPolarHBondContact O-CB 3.36Å; I80-V84 PolarHBondContact O-N 3.41Å; V84-F86 WeakPolarHBondContact O-CD2 3.24Å; V84-F86 PolarHBondContact O-N 3.09Å; V84-P98 HydrophobicContact CB-CG 4.41Å; V84-P98 HydrophobicContact CG1-CG 4.06Å; V84-R201 HydrophobicContact CG2-CG 3.81Å; V84-V204 HydrophobicContact CG1-CG1 3.61Å; V84-E205 HydrophobicContact CG1-CG 3.98Å; V84-E205 HydrophobicContact CG2-CG 4.46Å |
| 85 | N | 91.7 | Very high | 91.9 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 25.2 | 179.7 | -62.3 | -40.2 | 0 | 0 | 0 | 114.5 | S83 K88 N95 P96 R97 | S83-N85 PolarHBondContact O-N 2.99Å; S83-N85 VanDerWaalsContact O-N 3.17Å; N85-K88 HydrophobicContact CB-CG 3.95Å; N85-K88 WeakPolarHBondContact O-CB 3.48Å; N85-K88 PolarHBondContact O-N 3.27Å; N85-N95 HydrophobicContact CB-CB 4.25Å; N85-P96 PolarHBondContact ND2-O 3.45Å; N85-R97 HydrophobicContact CB-CG 4.24Å; N85-R97 PolarHBondContact O-NE 2.94Å |
| 86 | F | 90.4 | Very high | 91.6 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -24.2 | 175.9 | -89.8 | -99.1 | 0 | 0 | 0 | 113.5 | R81 T82 S83 V84 K88 H138 | R81-F86 WeakPolarHBondContact O-CE2 3.42Å; R81-F86 WeakPolarHBondContact O-CZ 3.31Å; T82-F86 VanDerWaalsContact C-CD2 3.41Å; T82-F86 VanDerWaalsContact O-CD2 3.27Å; T82-F86 WeakPolarHBondContact O-CD2 3.44Å; T82-F86 VanDerWaalsContact O-CG 3.32Å; T82-F86 WeakPolarHBondContact O-CG 3.36Å; S83-F86 PolarHBondContact O-N 2.92Å; V84-F86 WeakPolarHBondContact O-CD2 3.24Å; V84-F86 PolarHBondContact O-N 3.09Å; F86-K88 PolarHBondContact O-N 3.27Å; F86-H138 AromaticContact CE1-CD2 3.86Å; F86-H138 AromaticContact CE1-NE2 3.8Å; F86-H138 AromaticContact CZ-CD2 3.9Å; F86-H138 AromaticContact CZ-CE1 3.45Å; F86-H138 VanDerWaalsContact CZ-CE1 3.45Å; F86-H138 WeakPolarHBondContact CZ-CE1 3.3Å; F86-H138 AromaticContact CZ-CG 3.73Å; F86-H138 AromaticContact CZ-ND1 3.44Å; F86-H138 WeakPolarHBondContact CZ-ND1 3.41Å; F86-H138 AromaticContact CZ-NE2 3.73Å |
| 87 | D | 90.2 | Very high | 91.4 | Very high | 118 Ų | 118 | 48.5 Ų | 48.5 | 63% | 0.631 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.2 | 171.3 | 67.5 | -51 | 0 | 0 | 0 | 112.8 | ||
| 88 | K | 90.1 | Very high | 91.2 | Very high | 71 Ų | 71 | 48.5 Ų | 48.5 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -86.3 | 145.4 | -178.7 | -51.8 | -54.7 | -177.7 | -149.3 | 0 | 111.3 | N85 F86 S90 N95 R97 | N85-K88 HydrophobicContact CB-CG 3.95Å; N85-K88 WeakPolarHBondContact O-CB 3.48Å; N85-K88 PolarHBondContact O-N 3.27Å; F86-K88 PolarHBondContact O-N 3.27Å; K88-S90 PolarHBondContact O-N 2.97Å; K88-N95 HydrophobicContact CB-CB 3.98Å; K88-N95 HydrophobicContact CG-CB 3.93Å; K88-R97 PolarHBondContact O-NH2 3.23Å |
| 89 | P | 87.3 | Confident | 91.2 | Very high | 129 Ų | 129 | 47.5 Ų | 47.5 | 84% | 0.838 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -66.7 | -33.1 | -173.9 | 25.4 | -34.6 | 0 | 0 | 0 | 113.7 | ||
| 90 | S | 86.6 | Confident | 91.3 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -134.8 | 151.5 | -176.6 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | K88 D92 | K88-S90 PolarHBondContact O-N 2.97Å; S90-D92 PolarHBondContact OG-OD2 2.94Å; S90-D92 VanDerWaalsContact OG-OD2 3.06Å |
| 91 | C | 88.5 | Confident | 91.4 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | trans | -83.5 | 119.3 | 160.5 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | R97 C139 | C91-R97 HydrophobicContact CB-CG 4.33Å; C91-C139 HydrophobicContact CB-CB 3.82Å; C91-C139 WeakPolarHBondContact CB-SG 3.44Å; C91-C139 WeakPolarHBondContact SG-CB 3.26Å; C91-C139 CovalentContact SG-SG 2.01Å; C91-C139 PolarHBondContact SG-SG 3.08Å | ||
| 92 | D | 87.8 | Confident | 91.6 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | trans | -146.8 | -173.8 | 179.5 | 59.8 | 53.1 | 0 | 0 | 0 | 110.9 | S90 N94 N95 P96 | S90-D92 PolarHBondContact OG-OD2 2.94Å; S90-D92 VanDerWaalsContact OG-OD2 3.06Å; D92-N94 PolarHBondContact O-N 2.65Å; D92-N94 WeakPolarHBondContact OD1-CA 3.42Å; D92-N94 WeakPolarHBondContact OD1-CB 3.43Å; D92-N94 PolarHBondContact OD1-N 2.82Å; D92-N95 PolarHBondContact N-O 2.82Å; D92-N95 CarbonylContact O-C 3.25Å; D92-N95 VanDerWaalsContact O-C 3.25Å; D92-N95 PolarHBondContact O-N 2.96Å; D92-N95 PolarHBondContact OD1-N 2.87Å; D92-N95 PolarHBondContact OD1-ND2 2.93Å; D92-N95 PolarHBondContact OD2-ND2 2.99Å; D92-P96 WeakPolarHBondContact O-CA 3.34Å; D92-P96 WeakPolarHBondContact O-CD 3.41Å | ||
| 93 | V | 84.2 | Confident | 91.9 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 29% | 0.291 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -64.8 | -23.5 | -178.3 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | L164 | V93-L164 HydrophobicContact CB-CD2 4.29Å; V93-L164 HydrophobicContact CG1-CD2 3.42Å; V93-L164 VanDerWaalsContact CG1-CD2 3.42Å |
| 94 | N | 86.9 | Confident | 92.1 | Very high | 77 Ų | 77 | 34.6 Ų | 34.6 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -90.6 | -31.7 | 179.6 | -63.2 | -32 | 0 | 0 | 0 | 111 | D92 P96 K168 | D92-N94 PolarHBondContact O-N 2.65Å; D92-N94 WeakPolarHBondContact OD1-CA 3.42Å; D92-N94 WeakPolarHBondContact OD1-CB 3.43Å; D92-N94 PolarHBondContact OD1-N 2.82Å; N94-P96 VanDerWaalsContact C-CD 3.46Å; N94-K168 WeakPolarHBondContact O-CE 3.41Å; N94-K168 PolarHBondContact O-NZ 2.95Å; N94-K168 VanDerWaalsContact O-NZ 3.15Å |
| 95 | N | 90.1 | Very high | 92.3 | Very high | 39 Ų | 39 | 34.6 Ų | 34.6 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -127.3 | 60.3 | -176.5 | -51.9 | -69.5 | 0 | 0 | 0 | 111.9 | N85 K88 D92 | N85-N95 HydrophobicContact CB-CB 4.25Å; K88-N95 HydrophobicContact CB-CB 3.98Å; K88-N95 HydrophobicContact CG-CB 3.93Å; D92-N95 PolarHBondContact N-O 2.82Å; D92-N95 CarbonylContact O-C 3.25Å; D92-N95 VanDerWaalsContact O-C 3.25Å; D92-N95 PolarHBondContact O-N 2.96Å; D92-N95 PolarHBondContact OD1-N 2.87Å; D92-N95 PolarHBondContact OD1-ND2 2.93Å; D92-N95 PolarHBondContact OD2-ND2 2.99Å |
| 96 | P | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -72 | 148.7 | 179.4 | 28.9 | -31.1 | 0 | 0 | 0 | 110.6 | N85 D92 N94 P98 L164 L165 K168 V204 | N85-P96 PolarHBondContact ND2-O 3.45Å; D92-P96 WeakPolarHBondContact O-CA 3.34Å; D92-P96 WeakPolarHBondContact O-CD 3.41Å; N94-P96 VanDerWaalsContact C-CD 3.46Å; P96-P98 VanDerWaalsContact O-CD 3.31Å; P96-P98 WeakPolarHBondContact O-CD 3.31Å; P96-L164 HydrophobicContact CB-CB 4.23Å; P96-L165 HydrophobicContact CB-CD2 3.73Å; P96-L165 HydrophobicContact CB-CG 4.3Å; P96-L165 HydrophobicContact CG-CD2 3.86Å; P96-K168 HydrophobicContact CG-CG 4.12Å; P96-V204 HydrophobicContact CG-CG1 3.94Å | ||
| 97 | R | 93.5 | Very high | 92.8 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | trans | -110.7 | 91.1 | 177.1 | -60.9 | -176.6 | -175.6 | 161.5 | 1.1 | 110.2 | N85 K88 C91 H138 C139 | N85-R97 HydrophobicContact CB-CG 4.24Å; N85-R97 PolarHBondContact O-NE 2.94Å; K88-R97 PolarHBondContact O-NH2 3.23Å; C91-R97 HydrophobicContact CB-CG 4.33Å; R97-H138 HydrophobicContact CB-CB 4.32Å; R97-C139 PolarHBondContact N-SG 2.91Å; R97-C139 VanDerWaalsContact N-SG 3.43Å | ||
| 98 | P | 94.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | trans | -71.5 | 143.6 | -170.8 | 26.1 | -32.6 | 0 | 0 | 0 | 112.5 | I80 V84 P96 I100 G144 L165 V204 | I80-P98 HydrophobicContact CG2-CB 4.25Å; I80-P98 HydrophobicContact CG2-CG 3.61Å; V84-P98 HydrophobicContact CB-CG 4.41Å; V84-P98 HydrophobicContact CG1-CG 4.06Å; P96-P98 VanDerWaalsContact O-CD 3.31Å; P96-P98 WeakPolarHBondContact O-CD 3.31Å; P98-I100 HydrophobicContact CB-CG1 4.5Å; P98-G144 CarbonylContact C-O 3.06Å; P98-G144 VanDerWaalsContact CA-O 3.28Å; P98-G144 WeakPolarHBondContact CA-O 3.49Å; P98-L165 HydrophobicContact CB-CD1 4.24Å; P98-L165 HydrophobicContact CB-CD2 3.89Å; P98-L165 HydrophobicContact CG-CD2 4.49Å; P98-V204 HydrophobicContact CG-CB 4.47Å; P98-V204 HydrophobicContact CG-CG1 4.01Å; P98-V204 HydrophobicContact CG-CG2 4.27Å | ||
| 99 | V | 95.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.7 | 161.2 | -175.3 | 0 | 0 | 0 | 0 | 107.4 | L57 R81 L135 G144 K145 I146 | L57-V99 HydrophobicContact CD1-CG1 4.48Å; L57-V99 HydrophobicContact CD2-CG1 4.09Å; R81-V99 HydrophobicContact CG-CG2 4.02Å; V99-L135 HydrophobicContact CG1-CB 4.13Å; V99-L135 HydrophobicContact CG1-CD1 4.37Å; V99-G144 PolarHBondContact N-O 3.23Å; V99-K145 CarbonylContact O-C 3.49Å; V99-K145 WeakPolarHBondContact O-CA 3.24Å; V99-I146 PolarHBondContact O-N 3.36Å |
| 100 | I | 97.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 120.3 | -172.6 | -50.4 | 178.4 | 0 | 0 | 0 | 108 | L57 L77 I80 P98 V102 I146 Y200 | L57-I100 WeakPolarHBondContact CB-O 3.45Å; L77-I100 HydrophobicContact CD2-CB 3.65Å; L77-I100 HydrophobicContact CD2-CG2 3.85Å; I80-I100 HydrophobicContact CD1-CD1 3.98Å; I80-I100 HydrophobicContact CG2-CD1 4.27Å; P98-I100 HydrophobicContact CB-CG1 4.5Å; I100-V102 HydrophobicContact CG2-CG2 4.5Å; I100-I146 CarbonylContact C-O 3.4Å; I100-I146 WeakPolarHBondContact CA-O 3.47Å; I100-I146 HydrophobicContact CB-CB 4.37Å; I100-I146 HydrophobicContact CD1-CD1 4.3Å; I100-I146 HydrophobicContact CG1-CB 4.09Å; I100-I146 HydrophobicContact CG1-CD1 4.07Å; I100-I146 HydrophobicContact CG1-CG1 4.33Å; I100-I146 HydrophobicContact CG2-CB 4.2Å; I100-I146 HydrophobicContact CG2-CG2 4.27Å; I100-Y200 HydrophobicContact CD1-CD2 4.33Å |
| 101 | G | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.1 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | L57 I146 I147 L148 | L57-G101 CarbonylContact O-C 3.54Å; L57-G101 WeakPolarHBondContact O-CA 3.4Å; G101-I146 PolarHBondContact N-O 2.84Å; G101-I147 WeakPolarHBondContact O-CA 3.34Å; G101-L148 PolarHBondContact O-N 3.16Å |
| 102 | V | 98.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.3 | 179.1 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L57 V58 C59 L77 I100 I104 L148 I193 I197 | L57-V102 PolarHBondContact O-N 2.99Å; V58-V102 CarbonylContact C-O 3.56Å; V58-V102 WeakPolarHBondContact CA-O 3.33Å; V58-V102 HydrophobicContact CG1-CB 4.36Å; V58-V102 HydrophobicContact CG1-CG1 4.41Å; V58-V102 HydrophobicContact CG2-CB 4.26Å; C59-V102 PolarHBondContact N-O 2.85Å; L77-V102 HydrophobicContact CD1-CG2 3.93Å; L77-V102 HydrophobicContact CD2-CG2 4.15Å; I100-V102 HydrophobicContact CG2-CG2 4.5Å; V102-I104 HydrophobicContact CG1-CD1 4.29Å; V102-I104 HydrophobicContact CG1-CG1 3.92Å; V102-L148 CarbonylContact C-O 3.58Å; V102-L148 WeakPolarHBondContact CA-O 3.34Å; V102-L148 HydrophobicContact CG2-CB 4.46Å; V102-L148 HydrophobicContact CG2-CD2 4.43Å; V102-I193 HydrophobicContact CG1-CD1 4Å; V102-I193 HydrophobicContact CG1-CG2 4Å; V102-I193 HydrophobicContact CG2-CG2 4.21Å; V102-I197 HydrophobicContact CG2-CD1 4.44Å |
| 103 | A | 98.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y34 L129 W133 L148 L149 Y150 | Y34-A103 HydrophobicContact CE1-CB 3.85Å; A103-L129 HydrophobicContact CB-CD1 3.45Å; A103-L129 VanDerWaalsContact CB-CD1 3.45Å; A103-W133 HydrophobicContact CB-CH2 3.57Å; A103-W133 HydrophobicContact CB-CZ2 4.47Å; A103-W133 HydrophobicContact CB-CZ3 4.06Å; A103-L148 PolarHBondContact N-O 2.79Å; A103-L149 HydrophobicContact CB-CD1 3.68Å; A103-L149 CarbonylContact O-C 3.51Å; A103-L149 WeakPolarHBondContact O-CA 3.48Å; A103-Y150 PolarHBondContact O-N 3.2Å |
| 104 | I | 98.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 119.1 | 179 | -49 | -177.4 | 0 | 0 | 0 | 107.9 | Y34 V58 C59 D60 L64 L65 V102 Y150 I193 | Y34-I104 PolarHBondContact OH-N 3.23Å; Y34-I104 PolarHBondContact OH-O 2.87Å; V58-I104 HydrophobicContact CG1-CD1 4Å; C59-I104 PolarHBondContact O-N 3.29Å; D60-I104 HydrophobicContact CB-CB 4.31Å; D60-I104 HydrophobicContact CB-CD1 4.34Å; L64-I104 HydrophobicContact CD1-CG2 3.77Å; L65-I104 HydrophobicContact CD1-CD1 3.39Å; L65-I104 HydrophobicContact CG-CD1 3.98Å; V102-I104 HydrophobicContact CG1-CD1 4.29Å; V102-I104 HydrophobicContact CG1-CG1 3.92Å; I104-Y150 WeakPolarHBondContact CA-O 3.32Å; I104-Y150 HydrophobicContact CG2-CD1 4.25Å; I104-I193 HydrophobicContact CD1-CD1 3.55Å; I104-I193 HydrophobicContact CG1-CD1 4.02Å |
| 105 | V | 98.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.4 | 171.2 | -67 | 0 | 0 | 0 | 0 | 109.3 | Y34 K107 I108 F125 L149 Y150 S151 K152 | Y34-V105 HydrophobicContact CD2-CG1 3.93Å; Y34-V105 HydrophobicContact CE2-CG1 3.34Å; V105-K107 VanDerWaalsContact C-N 3.34Å; V105-I108 HydrophobicContact CG2-CG1 4.27Å; V105-F125 HydrophobicContact CG1-CE2 4.17Å; V105-F125 HydrophobicContact CG1-CZ 4.05Å; V105-L149 HydrophobicContact CG2-CD1 4.38Å; V105-Y150 PolarHBondContact N-O 3.41Å; V105-S151 WeakPolarHBondContact O-CA 3.43Å; V105-K152 PolarHBondContact O-N 3.37Å |
| 106 | K | 97 | Very high | 87.5 | Confident | 108 Ų | 108 | 49 Ų | 49 | 47% | 0.47 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -61.6 | -46.6 | 169.3 | -177.2 | 178.2 | 176.6 | -173.5 | 0 | 111.1 | D62 L64 K152 D153 | D62-K106 HydrophobicContact CB-CB 4.23Å; D62-K106 WeakPolarHBondContact OD2-CB 3.21Å; D62-K106 PolarHBondContact OD2-N 3.42Å; L64-K106 HydrophobicContact CD1-CB 4.24Å; L64-K106 HydrophobicContact CD2-CB 4.43Å; L64-K106 HydrophobicContact CD2-CG 4.5Å; K106-K152 PolarHBondContact O-N 2.7Å; K106-D153 WeakPolarHBondContact CE-OD2 3.24Å; K106-D153 WeakPolarHBondContact CG-OD2 3.37Å; K106-D153 VanDerWaalsContact O-CB 3.29Å; K106-D153 WeakPolarHBondContact O-CB 3.41Å; K106-D153 PolarHBondContact O-N 3.15Å |
| 107 | K | 95.4 | Very high | 87.3 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | trans | -152.7 | 152.2 | -179.9 | -165.4 | -171.8 | 167.9 | -155.9 | 0 | 109.7 | Q30 V105 S151 D153 | Q30-K107 PolarHBondContact NE2-O 2.99Å; V105-K107 VanDerWaalsContact C-N 3.34Å; K107-S151 WeakPolarHBondContact CA-OG 3.43Å; K107-D153 HydrophobicContact CB-CB 4.21Å; K107-D153 HydrophobicContact CG-CB 4.25Å | ||
| 108 | I | 95 | Very high | 87.1 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -81.1 | 122.5 | 166.2 | -63.3 | 171.3 | 0 | 0 | 0 | 107.6 | Y27 V105 V110 L118 A122 S151 D154 V156 | Y27-I108 HydrophobicContact CD2-CG2 3.83Å; Y27-I108 HydrophobicContact CE2-CG2 3.94Å; V105-I108 HydrophobicContact CG2-CG1 4.27Å; I108-V110 HydrophobicContact CG2-CG1 4.01Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; I108-V110 PolarHBondContact O-N 3.1Å; I108-L118 HydrophobicContact CB-CD2 4.33Å; I108-A122 HydrophobicContact CD1-CB 3.81Å; I108-S151 PolarHBondContact N-OG 3.45Å; I108-D154 WeakPolarHBondContact CB-OD2 3.33Å; I108-D154 PolarHBondContact N-OD2 2.75Å; I108-V156 HydrophobicContact CD1-CG1 4.38Å | ||
| 109 | E | 93 | Very high | 86.9 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | trans | -78.4 | 76.5 | -176.3 | -60.5 | -54.7 | 163.3 | 0 | 0 | 111 | E26 Y27 Q30 | E26-E109 HydrophobicContact CB-CB 4.2Å; Y27-E109 WeakPolarHBondContact CA-O 3.38Å; Y27-E109 WeakPolarHBondContact CB-O 3.36Å; Y27-E109 PolarHBondContact N-O 2.96Å; Y27-E109 VanDerWaalsContact N-O 3.07Å; Q30-E109 HydrophobicContact CB-CB 4.34Å; Q30-E109 HydrophobicContact CB-CG 4.31Å; Q30-E109 HydrophobicContact CG-CG 4.3Å | ||
| 110 | V | 88.2 | Confident | 86.7 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | trans | -116.2 | 128.2 | 168.2 | -69.4 | 0 | 0 | 0 | 0 | 107.8 | P24 Y27 I108 L118 Y121 | P24-V110 HydrophobicContact CG-CG1 4.41Å; Y27-V110 HydrophobicContact CD2-CG1 3.95Å; Y27-V110 HydrophobicContact CG-CG1 4.31Å; I108-V110 HydrophobicContact CG2-CG1 4.01Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; I108-V110 PolarHBondContact O-N 3.1Å; V110-L118 HydrophobicContact CG2-CD2 3.6Å; V110-Y121 HydrophobicContact CB-CD2 4.48Å; V110-Y121 HydrophobicContact CB-CE2 4.35Å; V110-Y121 HydrophobicContact CG1-CD1 3.7Å; V110-Y121 HydrophobicContact CG1-CD2 3.64Å; V110-Y121 HydrophobicContact CG1-CE1 3.78Å; V110-Y121 HydrophobicContact CG1-CE2 3.72Å; V110-Y121 HydrophobicContact CG1-CG 3.64Å | ||
| 111 | D | 77 | Confident | 86.6 | Confident | 90 Ų | 90 | 58.7 Ų | 58.7 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | trans | -51.8 | 161.8 | 170.6 | -82.1 | -42.4 | 0 | 0 | 0 | 111.1 | M113 | D111-M113 PolarHBondContact O-N 3.45Š| ||
| 112 | N | 67 | Low | 86.5 | Confident | 150 Ų | 150 | 58.7 Ų | 58.7 | 80% | 0.802 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -2.7 | -177.7 | -82 | -29.8 | 0 | 0 | 0 | 116 | ||
| 113 | M | 56.7 | Low | 86.3 | Confident | 172 Ų | 172 | 59.6 Ų | 59.6 | 85% | 0.847 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.5 | -170.7 | -67.2 | -151.2 | -70.8 | 0 | 0 | 115.7 | D111 | D111-M113 PolarHBondContact O-N 3.45Š|
| 114 | D | 66 | Low | 86.1 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | trans | -158.4 | 64.4 | -179.7 | -139 | -30.7 | 0 | 0 | 0 | 116.3 | D116 R117 | D114-D116 PolarHBondContact O-N 3.4Å; D114-R117 HydrophobicContact CB-CB 4.03Å; D114-R117 HydrophobicContact CB-CG 4.32Å; D114-R117 VanDerWaalsContact CG-CG 3.41Å; D114-R117 PolarHBondContact O-N 2.79Å; D114-R117 WeakPolarHBondContact OD1-CG 3.42Å; D114-R117 PolarHBondContact OD1-N 3.48Å; D114-R117 WeakPolarHBondContact OD2-CD 3.5Å; D114-R117 VanDerWaalsContact OD2-CG 3.29Å; D114-R117 WeakPolarHBondContact OD2-CG 3.43Å; D114-R117 IonicContact OD2-CZ 3.53Å; D114-R117 IonicContact OD2-NE 3.46Å; D114-R117 PolarHBondContact OD2-NE 3.18Å; D114-R117 VanDerWaalsContact OD2-NE 3.1Å; D114-R117 IonicContact OD2-NH1 2.71Å | ||
| 115 | K | 64.5 | Low | 86 | Confident | 154 Ų | 154 | 61.3 Ų | 61.3 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -56.1 | -28.9 | 169.1 | -73.4 | -173.9 | 179 | 179.4 | 0 | 112.3 | R117 L118 | K115-R117 PolarHBondContact O-N 3.21Å; K115-L118 HydrophobicContact CB-CD1 4.15Å; K115-L118 HydrophobicContact CG-CD1 4.25Å; K115-L118 WeakPolarHBondContact O-CB 3.33Å; K115-L118 WeakPolarHBondContact O-CD1 3.43Å; K115-L118 WeakPolarHBondContact O-CG 3.22Å; K115-L118 PolarHBondContact O-N 2.88Å |
| 116 | D | 73 | Confident | 86 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -68.7 | -21.6 | 178.7 | -66.2 | -28 | 0 | 0 | 0 | 112.6 | D114 | D114-D116 PolarHBondContact O-N 3.4Š|
| 117 | R | 86.2 | Confident | 86 | Confident | 110 Ų | 110 | 62.5 Ų | 62.5 | 42% | 0.415 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -97.5 | 4 | 175.5 | -73.4 | -171.1 | -174.9 | 171.3 | -6.7 | 115.1 | D114 K115 L119 S120 Y121 | D114-R117 HydrophobicContact CB-CB 4.03Å; D114-R117 HydrophobicContact CB-CG 4.32Å; D114-R117 VanDerWaalsContact CG-CG 3.41Å; D114-R117 PolarHBondContact O-N 2.79Å; D114-R117 WeakPolarHBondContact OD1-CG 3.42Å; D114-R117 PolarHBondContact OD1-N 3.48Å; D114-R117 WeakPolarHBondContact OD2-CD 3.5Å; D114-R117 VanDerWaalsContact OD2-CG 3.29Å; D114-R117 WeakPolarHBondContact OD2-CG 3.43Å; D114-R117 IonicContact OD2-CZ 3.53Å; D114-R117 IonicContact OD2-NE 3.46Å; D114-R117 PolarHBondContact OD2-NE 3.18Å; D114-R117 VanDerWaalsContact OD2-NE 3.1Å; D114-R117 IonicContact OD2-NH1 2.71Å; K115-R117 PolarHBondContact O-N 3.21Å; R117-L119 PolarHBondContact O-N 3.46Å; R117-L119 VanDerWaalsContact O-N 3.09Å; R117-S120 WeakPolarHBondContact O-CA 3.34Å; R117-S120 VanDerWaalsContact O-CB 3.29Å; R117-S120 WeakPolarHBondContact O-CB 3.48Å; R117-S120 PolarHBondContact O-N 3.36Å; R117-Y121 HydrophobicContact CB-CD2 3.96Å; R117-Y121 HydrophobicContact CB-CE2 3.69Å; R117-Y121 WeakPolarHBondContact O-CD2 3.14Å; R117-Y121 PolarHBondContact O-N 3.35Å |
| 118 | L | 90.8 | Very high | 86 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -51.3 | -38.5 | -178.6 | -81.6 | 168.3 | 0 | 0 | 0 | 113.4 | I108 V110 K115 S120 Y121 A122 D154 V156 | I108-L118 HydrophobicContact CB-CD2 4.33Å; V110-L118 HydrophobicContact CG2-CD2 3.6Å; K115-L118 HydrophobicContact CB-CD1 4.15Å; K115-L118 HydrophobicContact CG-CD1 4.25Å; K115-L118 WeakPolarHBondContact O-CB 3.33Å; K115-L118 WeakPolarHBondContact O-CD1 3.43Å; K115-L118 WeakPolarHBondContact O-CG 3.22Å; K115-L118 PolarHBondContact O-N 2.88Å; L118-S120 PolarHBondContact O-N 2.89Å; L118-Y121 PolarHBondContact O-N 2.73Å; L118-A122 WeakPolarHBondContact O-CB 3.36Å; L118-A122 PolarHBondContact O-N 2.71Å; L118-D154 HydrophobicContact CD1-CB 4.27Å; L118-D154 HydrophobicContact CD2-CB 4.49Å; L118-V156 HydrophobicContact CB-CG2 4.05Å |
| 119 | L | 90.6 | Very high | 86 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 174.5 | -73.7 | -173.7 | 0 | 0 | 0 | 113.4 | T5 R117 A122 A123 V156 | T5-L119 WeakPolarHBondContact O-CD1 3.36Å; R117-L119 PolarHBondContact O-N 3.46Å; R117-L119 VanDerWaalsContact O-N 3.09Å; L119-A122 PolarHBondContact O-N 3.33Å; L119-A123 VanDerWaalsContact O-CB 3.31Å; L119-A123 WeakPolarHBondContact O-CB 3.3Å; L119-A123 PolarHBondContact O-N 2.99Å; L119-V156 HydrophobicContact CD2-CG1 3.97Å |
| 120 | S | 91.8 | Very high | 86.1 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 111 | R117 L118 A123 I124 | R117-S120 WeakPolarHBondContact O-CA 3.34Å; R117-S120 VanDerWaalsContact O-CB 3.29Å; R117-S120 WeakPolarHBondContact O-CB 3.48Å; R117-S120 PolarHBondContact O-N 3.36Å; L118-S120 PolarHBondContact O-N 2.89Å; S120-A123 WeakPolarHBondContact O-CB 3.32Å; S120-A123 PolarHBondContact O-N 2.76Å; S120-I124 WeakPolarHBondContact O-CG1 3.46Å; S120-I124 PolarHBondContact O-N 3.03Å |
| 121 | Y | 94 | Very high | 86.2 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 8% | 0.078 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 173.1 | -70.1 | -70.8 | 0 | 0 | 0 | 111.2 | L23 P24 Y27 V110 R117 L118 A123 I124 F125 | L23-Y121 HydrophobicContact CD2-CD1 4.05Å; L23-Y121 HydrophobicContact CD2-CE1 3.65Å; P24-Y121 HydrophobicContact CG-CE1 4.31Å; Y27-Y121 HydrophobicContact CD1-CD1 4.15Å; Y27-Y121 HydrophobicContact CD1-CE1 4.48Å; Y27-Y121 AromaticContact CD2-CD1 3.8Å; Y27-Y121 HydrophobicContact CD2-CD1 3.8Å; Y27-Y121 HydrophobicContact CD2-CG 4.37Å; Y27-Y121 HydrophobicContact CE1-CD1 4.11Å; Y27-Y121 AromaticContact CE2-CD1 3.75Å; Y27-Y121 HydrophobicContact CE2-CD1 3.75Å; Y27-Y121 HydrophobicContact CE2-CG 4.18Å; Y27-Y121 AromaticContact CG-CD1 4Å; Y27-Y121 HydrophobicContact CG-CD1 4Å; Y27-Y121 HydrophobicContact CG-CE1 4.39Å; Y27-Y121 AromaticContact CZ-CD1 3.9Å; Y27-Y121 PolarHBondContact OH-O 3.45Å; V110-Y121 HydrophobicContact CB-CD2 4.48Å; V110-Y121 HydrophobicContact CB-CE2 4.35Å; V110-Y121 HydrophobicContact CG1-CD1 3.7Å; V110-Y121 HydrophobicContact CG1-CD2 3.64Å; V110-Y121 HydrophobicContact CG1-CE1 3.78Å; V110-Y121 HydrophobicContact CG1-CE2 3.72Å; V110-Y121 HydrophobicContact CG1-CG 3.64Å; R117-Y121 HydrophobicContact CB-CD2 3.96Å; R117-Y121 HydrophobicContact CB-CE2 3.69Å; R117-Y121 WeakPolarHBondContact O-CD2 3.14Å; R117-Y121 PolarHBondContact O-N 3.35Å; L118-Y121 PolarHBondContact O-N 2.73Å; Y121-A123 PolarHBondContact O-N 2.95Å; Y121-I124 PolarHBondContact O-N 3.31Å; Y121-I124 VanDerWaalsContact O-N 3.15Å; Y121-F125 WeakPolarHBondContact O-CB 3.47Å; Y121-F125 PolarHBondContact O-N 3.37Å |
| 122 | A | 95.7 | Very high | 87 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.7 | -36.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I108 L118 L119 S126 L149 V156 Y158 | I108-A122 HydrophobicContact CD1-CB 3.81Å; L118-A122 WeakPolarHBondContact O-CB 3.36Å; L118-A122 PolarHBondContact O-N 2.71Å; L119-A122 PolarHBondContact O-N 3.33Å; A122-S126 VanDerWaalsContact O-CB 3.28Å; A122-S126 WeakPolarHBondContact O-CB 3.12Å; A122-S126 PolarHBondContact O-N 3.4Å; A122-S126 PolarHBondContact O-OG 2.85Å; A122-L149 HydrophobicContact CB-CD2 3.93Å; A122-L149 WeakPolarHBondContact O-CD2 3.47Å; A122-V156 HydrophobicContact CB-CG1 3.51Å; A122-Y158 HydrophobicContact CB-CG 4.35Å |
| 123 | A | 95.1 | Very high | 88.2 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 17% | 0.165 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L119 S120 Y121 S126 Y127 Y158 | L119-A123 VanDerWaalsContact O-CB 3.31Å; L119-A123 WeakPolarHBondContact O-CB 3.3Å; L119-A123 PolarHBondContact O-N 2.99Å; S120-A123 WeakPolarHBondContact O-CB 3.32Å; S120-A123 PolarHBondContact O-N 2.76Å; Y121-A123 PolarHBondContact O-N 2.95Å; A123-S126 PolarHBondContact O-N 2.96Å; A123-Y127 WeakPolarHBondContact O-CB 3.43Å; A123-Y127 PolarHBondContact O-N 3.38Å; A123-Y158 HydrophobicContact CB-CD1 4.48Å; A123-Y158 HydrophobicContact CB-CD2 4.06Å; A123-Y158 HydrophobicContact CB-CE1 3.9Å; A123-Y158 HydrophobicContact CB-CE2 3.44Å; A123-Y158 VanDerWaalsContact CB-CE2 3.44Å; A123-Y158 WeakPolarHBondContact CB-OH 3.39Å |
| 124 | I | 94.9 | Very high | 89.7 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 18% | 0.179 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 178 | -66.6 | 166.8 | 0 | 0 | 0 | 109.9 | L19 L23 Y27 S120 Y121 S126 Y127 R128 | L19-I124 HydrophobicContact CD1-CD1 4.16Å; L23-I124 HydrophobicContact CD1-CG2 4.31Å; L23-I124 HydrophobicContact CD2-CD1 3.92Å; Y27-I124 HydrophobicContact CE1-CG2 4.29Å; Y27-I124 WeakPolarHBondContact OH-CB 3.4Å; Y27-I124 WeakPolarHBondContact OH-CG2 3.17Å; S120-I124 WeakPolarHBondContact O-CG1 3.46Å; S120-I124 PolarHBondContact O-N 3.03Å; Y121-I124 PolarHBondContact O-N 3.31Å; Y121-I124 VanDerWaalsContact O-N 3.15Å; I124-S126 PolarHBondContact O-N 2.87Å; I124-Y127 WeakPolarHBondContact O-CB 3.33Å; I124-Y127 PolarHBondContact O-N 3.04Å; I124-R128 HydrophobicContact CG2-CG 4.46Å; I124-R128 WeakPolarHBondContact O-CG 3.29Å; I124-R128 PolarHBondContact O-N 3.24Å |
| 125 | F | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -54.4 | 177.1 | -160.9 | -38.3 | 0 | 0 | 0 | 109.6 | Y27 Q30 V31 Y34 V105 Y121 Y127 R128 L129 L149 | Y27-F125 HydrophobicContact CE2-CB 4.46Å; Y27-F125 HydrophobicContact CE2-CD2 4.18Å; Y27-F125 WeakPolarHBondContact OH-CA 3.42Å; Y27-F125 PolarHBondContact OH-N 2.96Å; Q30-F125 HydrophobicContact CG-CE2 4.07Å; Q30-F125 HydrophobicContact CG-CZ 4.36Å; V31-F125 HydrophobicContact CG1-CD1 4.43Å; V31-F125 HydrophobicContact CG2-CB 4.22Å; V31-F125 HydrophobicContact CG2-CD1 4.13Å; V31-F125 HydrophobicContact CG2-CD2 3.59Å; V31-F125 HydrophobicContact CG2-CE1 4.33Å; V31-F125 HydrophobicContact CG2-CE2 3.84Å; V31-F125 HydrophobicContact CG2-CG 3.73Å; V31-F125 HydrophobicContact CG2-CZ 4.2Å; Y34-F125 HydrophobicContact CD1-CE1 4.09Å; Y34-F125 HydrophobicContact CD1-CZ 4.45Å; Y34-F125 HydrophobicContact CD2-CE1 4.15Å; Y34-F125 AromaticContact CD2-CZ 3.69Å; Y34-F125 HydrophobicContact CD2-CZ 3.69Å; Y34-F125 HydrophobicContact CE2-CZ 4.34Å; Y34-F125 AromaticContact CG-CE1 3.78Å; Y34-F125 HydrophobicContact CG-CE1 3.78Å; Y34-F125 AromaticContact CG-CZ 3.75Å; Y34-F125 HydrophobicContact CG-CZ 3.75Å; V105-F125 HydrophobicContact CG1-CE2 4.17Å; V105-F125 HydrophobicContact CG1-CZ 4.05Å; Y121-F125 WeakPolarHBondContact O-CB 3.47Å; Y121-F125 PolarHBondContact O-N 3.37Å; F125-Y127 VanDerWaalsContact C-N 3.27Å; F125-Y127 PolarHBondContact O-N 3.43Å; F125-R128 PolarHBondContact O-N 2.85Å; F125-R128 VanDerWaalsContact O-N 3.1Å; F125-L129 HydrophobicContact CD1-CD1 3.8Å; F125-L129 HydrophobicContact CD1-CD2 4.4Å; F125-L129 HydrophobicContact CD1-CG 3.85Å; F125-L129 HydrophobicContact CE1-CD1 3.76Å; F125-L129 HydrophobicContact CE1-CD2 4.08Å; F125-L129 HydrophobicContact CE1-CG 3.96Å; F125-L129 WeakPolarHBondContact O-CG 3.29Å; F125-L129 PolarHBondContact O-N 2.98Å; F125-L149 HydrophobicContact CB-CD2 3.85Å; F125-L149 HydrophobicContact CD1-CD2 4.49Å; F125-L149 HydrophobicContact CD2-CD2 4.44Å; F125-L149 HydrophobicContact CG-CD2 4.01Å |
| 126 | S | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 179.9 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | A122 A123 I124 L129 F130 L149 Y158 | A122-S126 VanDerWaalsContact O-CB 3.28Å; A122-S126 WeakPolarHBondContact O-CB 3.12Å; A122-S126 PolarHBondContact O-N 3.4Å; A122-S126 PolarHBondContact O-OG 2.85Å; A123-S126 PolarHBondContact O-N 2.96Å; I124-S126 PolarHBondContact O-N 2.87Å; S126-L129 PolarHBondContact O-N 3.13Å; S126-F130 WeakPolarHBondContact O-CB 3.44Å; S126-F130 PolarHBondContact O-N 3.33Å; S126-L149 VanDerWaalsContact OG-CB 3.22Å; S126-L149 WeakPolarHBondContact OG-CB 3.09Å; S126-L149 WeakPolarHBondContact OG-CD2 3.44Å; S126-Y158 VanDerWaalsContact OG-CD1 3.32Å; S126-Y158 WeakPolarHBondContact OG-CD1 3.49Å |
| 127 | Y | 95.7 | Very high | 92.2 | Very high | 133 Ų | 133 | 49.5 Ų | 49.5 | 52% | 0.522 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 174.6 | 178 | -94.2 | 0 | 0 | 0 | 112.2 | A123 I124 F125 L129 F130 D131 I160 | A123-Y127 WeakPolarHBondContact O-CB 3.43Å; A123-Y127 PolarHBondContact O-N 3.38Å; I124-Y127 WeakPolarHBondContact O-CB 3.33Å; I124-Y127 PolarHBondContact O-N 3.04Å; F125-Y127 VanDerWaalsContact C-N 3.27Å; F125-Y127 PolarHBondContact O-N 3.43Å; Y127-L129 VanDerWaalsContact C-N 3.31Å; Y127-L129 PolarHBondContact O-N 2.87Å; Y127-F130 WeakPolarHBondContact O-CB 3.46Å; Y127-F130 PolarHBondContact O-N 2.81Å; Y127-D131 PolarHBondContact O-N 3.46Å; Y127-I160 HydrophobicContact CD2-CD1 3.93Å |
| 128 | R | 96 | Very high | 92.1 | Very high | 138 Ų | 138 | 48.6 Ų | 48.6 | 52% | 0.521 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -38.5 | 176 | -66.7 | -64.2 | -172.3 | -177.7 | 2.8 | 111.7 | V31 I124 F125 K132 | V31-R128 HydrophobicContact CG1-CB 3.63Å; V31-R128 HydrophobicContact CG1-CG 3.82Å; I124-R128 HydrophobicContact CG2-CG 4.46Å; I124-R128 WeakPolarHBondContact O-CG 3.29Å; I124-R128 PolarHBondContact O-N 3.24Å; F125-R128 PolarHBondContact O-N 2.85Å; F125-R128 VanDerWaalsContact O-N 3.1Å; R128-K132 WeakPolarHBondContact O-CB 3.46Å; R128-K132 PolarHBondContact O-N 2.77Å |
| 129 | L | 96.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -36.4 | 173.8 | -62.5 | -175.4 | 0 | 0 | 0 | 112.6 | Y34 A103 F125 S126 Y127 D131 K132 W133 I147 | Y34-L129 HydrophobicContact CD1-CD1 4.04Å; Y34-L129 HydrophobicContact CD1-CD2 3.73Å; Y34-L129 HydrophobicContact CE1-CD1 4.09Å; Y34-L129 HydrophobicContact CG-CD2 4.46Å; A103-L129 HydrophobicContact CB-CD1 3.45Å; A103-L129 VanDerWaalsContact CB-CD1 3.45Å; F125-L129 HydrophobicContact CD1-CD1 3.8Å; F125-L129 HydrophobicContact CD1-CD2 4.4Å; F125-L129 HydrophobicContact CD1-CG 3.85Å; F125-L129 HydrophobicContact CE1-CD1 3.76Å; F125-L129 HydrophobicContact CE1-CD2 4.08Å; F125-L129 HydrophobicContact CE1-CG 3.96Å; F125-L129 WeakPolarHBondContact O-CG 3.29Å; F125-L129 PolarHBondContact O-N 2.98Å; S126-L129 PolarHBondContact O-N 3.13Å; Y127-L129 VanDerWaalsContact C-N 3.31Å; Y127-L129 PolarHBondContact O-N 2.87Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 2.81Å; L129-K132 PolarHBondContact O-N 2.8Å; L129-W133 HydrophobicContact CB-CD2 4.19Å; L129-W133 HydrophobicContact CB-CE3 4.4Å; L129-W133 HydrophobicContact CD1-CH2 4Å; L129-W133 HydrophobicContact CD1-CZ2 4.02Å; L129-W133 HydrophobicContact CD1-CZ3 4.31Å; L129-W133 HydrophobicContact CD2-CD2 4.46Å; L129-W133 HydrophobicContact CD2-CZ2 4.11Å; L129-W133 WeakPolarHBondContact O-CA 3.43Å; L129-W133 WeakPolarHBondContact O-CB 3.46Å; L129-W133 PolarHBondContact O-N 3.2Å; L129-I147 HydrophobicContact CB-CG2 4.2Å; L129-I147 HydrophobicContact CD1-CG2 4.4Å |
| 130 | F | 93.8 | Very high | 91.1 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 178.9 | -174.4 | -85 | 0 | 0 | 0 | 112.4 | S126 Y127 E142 K145 I147 I160 | S126-F130 WeakPolarHBondContact O-CB 3.44Å; S126-F130 PolarHBondContact O-N 3.33Å; Y127-F130 WeakPolarHBondContact O-CB 3.46Å; Y127-F130 PolarHBondContact O-N 2.81Å; F130-E142 HydrophobicContact CE1-CB 3.89Å; F130-E142 HydrophobicContact CE1-CG 4.35Å; F130-E142 HydrophobicContact CZ-CB 4.12Å; F130-E142 WeakPolarHBondContact CZ-O 3.33Å; F130-K145 HydrophobicContact CD2-CB 4.33Å; F130-K145 HydrophobicContact CE2-CB 3.63Å; F130-K145 HydrophobicContact CZ-CB 3.98Å; F130-I147 HydrophobicContact CB-CG1 3.9Å; F130-I147 HydrophobicContact CD2-CG1 3.98Å; F130-I147 HydrophobicContact CG-CG1 4.4Å; F130-I160 HydrophobicContact CB-CD1 4.35Å; F130-I160 HydrophobicContact CB-CG2 4.06Å; F130-I160 HydrophobicContact CD2-CD1 4.42Å; F130-I160 HydrophobicContact CD2-CG1 4.19Å; F130-I160 HydrophobicContact CD2-CG2 3.88Å; F130-I160 HydrophobicContact CG-CD1 4.27Å; F130-I160 HydrophobicContact CG-CG2 4.31Å |
| 131 | D | 90.6 | Very high | 90 | Very high | 98 Ų | 98 | 56.1 Ų | 56.1 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.3 | -49.9 | 174.8 | -176.5 | 44.3 | 0 | 0 | 0 | 111.6 | Y127 L129 | Y127-D131 PolarHBondContact O-N 3.46Å; L129-D131 VanDerWaalsContact C-N 3.27Å; L129-D131 PolarHBondContact O-N 2.81Å |
| 132 | K | 93.1 | Very high | 89.1 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 34% | 0.339 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -53.1 | -177.2 | -178 | -178.9 | -179 | 177.9 | 0 | 112.8 | K32 Y34 R128 L129 N134 | K32-K132 PolarHBondContact O-NZ 2.79Å; Y34-K132 PolarHBondContact O-NZ 3.11Å; R128-K132 WeakPolarHBondContact O-CB 3.46Å; R128-K132 PolarHBondContact O-N 2.77Å; L129-K132 PolarHBondContact O-N 2.8Å; K132-N134 PolarHBondContact O-N 3.25Å |
| 133 | W | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -74.8 | 93.3 | 179.7 | -63 | -7.6 | 0 | 0 | 0 | 108.2 | Y34 P35 I37 C59 A103 L129 L135 I147 | Y34-W133 AromaticContact CD1-CZ2 3.77Å; Y34-W133 HydrophobicContact CD1-CZ2 3.77Å; Y34-W133 AromaticContact CE1-CH2 3.83Å; Y34-W133 HydrophobicContact CE1-CH2 3.83Å; Y34-W133 AromaticContact CE1-CZ2 3.47Å; Y34-W133 HydrophobicContact CE1-CZ2 3.47Å; Y34-W133 VanDerWaalsContact CE1-CZ2 3.47Å; P35-W133 WeakPolarHBondContact O-CZ2 3.49Å; P35-W133 PolarHBondContact O-NE1 2.84Å; I37-W133 HydrophobicContact CD1-CD2 4.26Å; I37-W133 HydrophobicContact CD1-CE3 3.85Å; I37-W133 HydrophobicContact CD1-CZ3 4.19Å; I37-W133 HydrophobicContact CG1-CB 4.48Å; I37-W133 HydrophobicContact CG1-CD2 3.92Å; I37-W133 HydrophobicContact CG1-CE3 4.04Å; I37-W133 HydrophobicContact CG1-CG 4.14Å; I37-W133 HydrophobicContact CG2-CD2 4.38Å; I37-W133 HydrophobicContact CG2-CE3 4.4Å; I37-W133 HydrophobicContact CG2-CH2 3.78Å; I37-W133 HydrophobicContact CG2-CZ2 3.71Å; I37-W133 HydrophobicContact CG2-CZ3 4.15Å; C59-W133 HydrophobicContact CB-CH2 3.53Å; C59-W133 HydrophobicContact CB-CZ2 3.68Å; A103-W133 HydrophobicContact CB-CH2 3.57Å; A103-W133 HydrophobicContact CB-CZ2 4.47Å; A103-W133 HydrophobicContact CB-CZ3 4.06Å; L129-W133 HydrophobicContact CB-CD2 4.19Å; L129-W133 HydrophobicContact CB-CE3 4.4Å; L129-W133 HydrophobicContact CD1-CH2 4Å; L129-W133 HydrophobicContact CD1-CZ2 4.02Å; L129-W133 HydrophobicContact CD1-CZ3 4.31Å; L129-W133 HydrophobicContact CD2-CD2 4.46Å; L129-W133 HydrophobicContact CD2-CZ2 4.11Å; L129-W133 WeakPolarHBondContact O-CA 3.43Å; L129-W133 WeakPolarHBondContact O-CB 3.46Å; L129-W133 PolarHBondContact O-N 3.2Å; W133-L135 HydrophobicContact CB-CD2 4.01Å; W133-L135 HydrophobicContact CB-CG 4.22Å; W133-L135 PolarHBondContact O-N 2.91Å; W133-I147 HydrophobicContact CD2-CD1 4.5Å; W133-I147 HydrophobicContact CE3-CD1 3.58Å; W133-I147 HydrophobicContact CZ3-CD1 4.2Å |
| 134 | N | 87.6 | Confident | 88.3 | Confident | 102 Ų | 102 | 58 Ų | 58 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | trans | -71.9 | 62.3 | 178 | -170.5 | 23.3 | 0 | 0 | 0 | 111.8 | K132 Q136 K145 | K132-N134 PolarHBondContact O-N 3.25Å; N134-Q136 PolarHBondContact O-N 3.18Å; N134-Q136 VanDerWaalsContact O-N 3.12Å; N134-K145 PolarHBondContact OD1-NZ 3.13Å | ||
| 135 | L | 90.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | trans | -59.2 | 116.3 | -177.7 | -56.9 | -173.6 | 0 | 0 | 0 | 109.8 | I37 I38 L57 V99 W133 S137 K145 I147 | I37-L135 HydrophobicContact CD1-CD2 3.4Å; I37-L135 HydrophobicContact CG1-CD2 3.96Å; I38-L135 HydrophobicContact CD1-CD2 4Å; I38-L135 HydrophobicContact CG1-CD2 4.31Å; L57-L135 HydrophobicContact CD2-CD2 4.41Å; V99-L135 HydrophobicContact CG1-CB 4.13Å; V99-L135 HydrophobicContact CG1-CD1 4.37Å; W133-L135 HydrophobicContact CB-CD2 4.01Å; W133-L135 HydrophobicContact CB-CG 4.22Å; W133-L135 PolarHBondContact O-N 2.91Å; L135-S137 PolarHBondContact O-N 3.46Å; L135-K145 HydrophobicContact CB-CD 4.17Å; L135-K145 HydrophobicContact CB-CG 4.22Å; L135-K145 WeakPolarHBondContact O-CE 3.46Å; L135-I147 HydrophobicContact CD1-CD1 3.85Å | ||
| 136 | Q | 84.5 | Confident | 88.2 | Confident | 138 Ų | 138 | 56.6 Ų | 56.6 | 65% | 0.645 | 27% | 0.274 | S | S | * | . | trans | -65.3 | 102.4 | -179.9 | -67.9 | 179.3 | -10.9 | 0 | 0 | 110.4 | N134 | N134-Q136 PolarHBondContact O-N 3.18Å; N134-Q136 VanDerWaalsContact O-N 3.12Å | ||
| 137 | S | 82.3 | Confident | 88.2 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -93.7 | 149.2 | 174.4 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | L135 C139 | L135-S137 PolarHBondContact O-N 3.46Å; S137-C139 PolarHBondContact O-N 2.76Å; S137-C139 PolarHBondContact OG-N 3Å | ||
| 138 | H | 84.2 | Confident | 88.3 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -81.1 | -3.9 | 173.2 | -63.4 | 85.8 | 0 | 0 | 0 | 112.6 | F86 R97 | F86-H138 AromaticContact CE1-CD2 3.86Å; F86-H138 AromaticContact CE1-NE2 3.8Å; F86-H138 AromaticContact CZ-CD2 3.9Å; F86-H138 AromaticContact CZ-CE1 3.45Å; F86-H138 VanDerWaalsContact CZ-CE1 3.45Å; F86-H138 WeakPolarHBondContact CZ-CE1 3.3Å; F86-H138 AromaticContact CZ-CG 3.73Å; F86-H138 AromaticContact CZ-ND1 3.44Å; F86-H138 WeakPolarHBondContact CZ-ND1 3.41Å; F86-H138 AromaticContact CZ-NE2 3.73Å; R97-H138 HydrophobicContact CB-CB 4.32Å |
| 139 | C | 82.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 10% | 0.101 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -96.2 | 171.8 | 175.2 | -53.1 | 0 | 0 | 0 | 0 | 110.5 | C91 R97 S137 S143 L164 | C91-C139 HydrophobicContact CB-CB 3.82Å; C91-C139 WeakPolarHBondContact CB-SG 3.44Å; C91-C139 WeakPolarHBondContact SG-CB 3.26Å; C91-C139 CovalentContact SG-SG 2.01Å; C91-C139 PolarHBondContact SG-SG 3.08Å; R97-C139 PolarHBondContact N-SG 2.91Å; R97-C139 VanDerWaalsContact N-SG 3.43Å; S137-C139 PolarHBondContact O-N 2.76Å; S137-C139 PolarHBondContact OG-N 3Å; C139-S143 VanDerWaalsContact CB-OG 3.31Å; C139-S143 WeakPolarHBondContact CB-OG 3.41Å; C139-L164 HydrophobicContact CB-CD1 4.03Å |
| 140 | H | 76.1 | Confident | 88.6 | Confident | 160 Ų | 160 | 44.8 Ų | 44.8 | 74% | 0.741 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -49 | 149 | 168.4 | -67.8 | -66.9 | 0 | 0 | 0 | 111.2 | E142 S143 | H140-E142 PolarHBondContact O-N 2.87Å; H140-S143 WeakPolarHBondContact O-CB 3.48Å; H140-S143 PolarHBondContact O-N 2.84Å; H140-S143 VanDerWaalsContact O-N 3.13Å; H140-S143 PolarHBondContact O-OG 2.92Å |
| 141 | S | 68.7 | Low | 88.7 | Confident | 100 Ų | 100 | 43.9 Ų | 43.9 | 70% | 0.699 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -42.8 | 129.6 | -171.3 | -164.3 | 0 | 0 | 0 | 0 | 112.2 | S143 | S141-S143 PolarHBondContact O-N 2.05Š|
| 142 | E | 74.9 | Confident | 89 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | -20.5 | 176.8 | -53 | -173.9 | 146.8 | 0 | 0 | 118 | F130 H140 G144 K145 | F130-E142 HydrophobicContact CE1-CB 3.89Å; F130-E142 HydrophobicContact CE1-CG 4.35Å; F130-E142 HydrophobicContact CZ-CB 4.12Å; F130-E142 WeakPolarHBondContact CZ-O 3.33Å; H140-E142 PolarHBondContact O-N 2.87Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 3.38Å; E142-K145 HydrophobicContact CB-CD 4.37Å; E142-K145 HydrophobicContact CG-CD 4.41Å; E142-K145 PolarHBondContact O-N 3.37Å |
| 143 | S | 84.7 | Confident | 89 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.3 | -169.3 | 65.9 | 0 | 0 | 0 | 0 | 115.2 | C139 H140 S141 G162 N163 L164 | C139-S143 VanDerWaalsContact CB-OG 3.31Å; C139-S143 WeakPolarHBondContact CB-OG 3.41Å; H140-S143 WeakPolarHBondContact O-CB 3.48Å; H140-S143 PolarHBondContact O-N 2.84Å; H140-S143 VanDerWaalsContact O-N 3.13Å; H140-S143 PolarHBondContact O-OG 2.92Å; S141-S143 PolarHBondContact O-N 2.05Å; S143-G162 CarbonylContact O-C 3.58Å; S143-G162 WeakPolarHBondContact O-CA 3.07Å; S143-N163 WeakPolarHBondContact CA-OD1 3.21Å; S143-N163 WeakPolarHBondContact CB-OD1 3.5Å; S143-L164 PolarHBondContact O-N 3.45Å; S143-L164 VanDerWaalsContact OG-CD1 3.23Å; S143-L164 WeakPolarHBondContact OG-CD1 3.28Å |
| 144 | G | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 18.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | P98 V99 E142 L165 | P98-G144 CarbonylContact C-O 3.06Å; P98-G144 VanDerWaalsContact CA-O 3.28Å; P98-G144 WeakPolarHBondContact CA-O 3.49Å; V99-G144 PolarHBondContact N-O 3.23Å; E142-G144 VanDerWaalsContact C-N 3.31Å; E142-G144 PolarHBondContact O-N 3.38Å; G144-L165 VanDerWaalsContact C-CD1 3.47Å |
| 145 | K | 93.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 145.9 | 179.5 | -59.8 | -179.6 | -173.3 | 176.2 | 0 | 111.6 | V99 F130 N134 L135 E142 A161 G162 L165 | V99-K145 CarbonylContact O-C 3.49Å; V99-K145 WeakPolarHBondContact O-CA 3.24Å; F130-K145 HydrophobicContact CD2-CB 4.33Å; F130-K145 HydrophobicContact CE2-CB 3.63Å; F130-K145 HydrophobicContact CZ-CB 3.98Å; N134-K145 PolarHBondContact OD1-NZ 3.13Å; L135-K145 HydrophobicContact CB-CD 4.17Å; L135-K145 HydrophobicContact CB-CG 4.22Å; L135-K145 WeakPolarHBondContact O-CE 3.46Å; E142-K145 HydrophobicContact CB-CD 4.37Å; E142-K145 HydrophobicContact CG-CD 4.41Å; E142-K145 PolarHBondContact O-N 3.37Å; K145-A161 WeakPolarHBondContact O-CA 3.07Å; K145-G162 PolarHBondContact O-N 2.94Å; K145-L165 WeakPolarHBondContact O-CD1 3.46Å |
| 146 | I | 96.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.6 | 166.1 | -54.2 | -176.1 | 0 | 0 | 0 | 108.2 | V99 I100 G101 T159 I160 A161 L165 L169 Y200 | V99-I146 PolarHBondContact O-N 3.36Å; I100-I146 CarbonylContact C-O 3.4Å; I100-I146 WeakPolarHBondContact CA-O 3.47Å; I100-I146 HydrophobicContact CB-CB 4.37Å; I100-I146 HydrophobicContact CD1-CD1 4.3Å; I100-I146 HydrophobicContact CG1-CB 4.09Å; I100-I146 HydrophobicContact CG1-CD1 4.07Å; I100-I146 HydrophobicContact CG1-CG1 4.33Å; I100-I146 HydrophobicContact CG2-CB 4.2Å; I100-I146 HydrophobicContact CG2-CG2 4.27Å; G101-I146 PolarHBondContact N-O 2.84Å; I146-T159 HydrophobicContact CG2-CG2 3.54Å; I146-I160 CarbonylContact C-O 3.57Å; I146-I160 VanDerWaalsContact CA-O 3.29Å; I146-I160 WeakPolarHBondContact CA-O 3.37Å; I146-A161 HydrophobicContact CG1-CB 4.12Å; I146-L165 HydrophobicContact CD1-CD1 3.89Å; I146-L165 HydrophobicContact CG1-CD1 3.43Å; I146-L165 VanDerWaalsContact CG1-CD1 3.43Å; I146-L169 HydrophobicContact CD1-CD1 3.4Å; I146-Y200 HydrophobicContact CD1-CD2 4.17Å; I146-Y200 HydrophobicContact CG2-CD2 4.38Å; I146-Y200 HydrophobicContact CG2-CE2 4.18Å |
| 147 | I | 97.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125 | 162.8 | -57.6 | -62.5 | 0 | 0 | 0 | 108 | G101 L129 F130 W133 L135 T159 I160 | G101-I147 WeakPolarHBondContact O-CA 3.34Å; L129-I147 HydrophobicContact CB-CG2 4.2Å; L129-I147 HydrophobicContact CD1-CG2 4.4Å; F130-I147 HydrophobicContact CB-CG1 3.9Å; F130-I147 HydrophobicContact CD2-CG1 3.98Å; F130-I147 HydrophobicContact CG-CG1 4.4Å; W133-I147 HydrophobicContact CD2-CD1 4.5Å; W133-I147 HydrophobicContact CE3-CD1 3.58Å; W133-I147 HydrophobicContact CZ3-CD1 4.2Å; L135-I147 HydrophobicContact CD1-CD1 3.85Å; I147-T159 WeakPolarHBondContact O-CA 3.45Å; I147-I160 HydrophobicContact CB-CG2 3.66Å; I147-I160 HydrophobicContact CG1-CG2 4.22Å; I147-I160 PolarHBondContact N-O 3.29Å; I147-I160 PolarHBondContact O-N 2.9Å |
| 148 | L | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 113.3 | 170.3 | -179.1 | 64.9 | 0 | 0 | 0 | 108.2 | G101 V102 A103 L157 T159 I193 I196 | G101-L148 PolarHBondContact O-N 3.16Å; V102-L148 CarbonylContact C-O 3.58Å; V102-L148 WeakPolarHBondContact CA-O 3.34Å; V102-L148 HydrophobicContact CG2-CB 4.46Å; V102-L148 HydrophobicContact CG2-CD2 4.43Å; A103-L148 PolarHBondContact N-O 2.79Å; L148-L157 HydrophobicContact CD1-CD1 3.66Å; L148-L157 HydrophobicContact CD1-CG 4.1Å; L148-L157 HydrophobicContact CG-CD1 4.29Å; L148-T159 WeakPolarHBondContact CD1-OG1 3.36Å; L148-I193 HydrophobicContact CD2-CG2 4.12Å; L148-I196 HydrophobicContact CD1-CD1 4.43Å; L148-I196 HydrophobicContact CD1-CG2 4.09Å; L148-I196 HydrophobicContact CD2-CB 4.25Å; L148-I196 HydrophobicContact CD2-CD1 4.31Å; L148-I196 HydrophobicContact CD2-CG2 3.87Å |
| 149 | L | 98.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.8 | 173.3 | 177 | 68.3 | 0 | 0 | 0 | 109.6 | A103 V105 A122 F125 S126 L157 Y158 | A103-L149 HydrophobicContact CB-CD1 3.68Å; A103-L149 CarbonylContact O-C 3.51Å; A103-L149 WeakPolarHBondContact O-CA 3.48Å; V105-L149 HydrophobicContact CG2-CD1 4.38Å; A122-L149 HydrophobicContact CB-CD2 3.93Å; A122-L149 WeakPolarHBondContact O-CD2 3.47Å; F125-L149 HydrophobicContact CB-CD2 3.85Å; F125-L149 HydrophobicContact CD1-CD2 4.49Å; F125-L149 HydrophobicContact CD2-CD2 4.44Å; F125-L149 HydrophobicContact CG-CD2 4.01Å; S126-L149 VanDerWaalsContact OG-CB 3.22Å; S126-L149 WeakPolarHBondContact OG-CB 3.09Å; S126-L149 WeakPolarHBondContact OG-CD2 3.44Å; L149-L157 WeakPolarHBondContact O-CA 3.47Å; L149-Y158 PolarHBondContact N-O 3.41Å; L149-Y158 PolarHBondContact O-N 2.97Å |
| 150 | Y | 98.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.5 | 170.1 | 178.9 | -109.2 | 0 | 0 | 0 | 110.5 | A103 I104 V105 K152 V156 L157 F185 I189 | A103-Y150 PolarHBondContact O-N 3.2Å; I104-Y150 WeakPolarHBondContact CA-O 3.32Å; I104-Y150 HydrophobicContact CG2-CD1 4.25Å; V105-Y150 PolarHBondContact N-O 3.41Å; Y150-K152 HydrophobicContact CE1-CB 3.98Å; Y150-K152 HydrophobicContact CE1-CG 4.49Å; Y150-V156 WeakPolarHBondContact CA-O 3.33Å; Y150-L157 HydrophobicContact CD2-CD1 4.04Å; Y150-F185 HydrophobicContact CD1-CE1 4.14Å; Y150-F185 HydrophobicContact CD2-CD1 4.44Å; Y150-F185 AromaticContact CD2-CE1 3.69Å; Y150-F185 HydrophobicContact CD2-CE1 3.69Å; Y150-F185 AromaticContact CD2-CZ 3.78Å; Y150-F185 HydrophobicContact CD2-CZ 3.78Å; Y150-F185 HydrophobicContact CE1-CD1 4.3Å; Y150-F185 AromaticContact CE1-CE1 3.93Å; Y150-F185 HydrophobicContact CE1-CE1 3.93Å; Y150-F185 AromaticContact CE2-CD1 3.75Å; Y150-F185 HydrophobicContact CE2-CD1 3.75Å; Y150-F185 AromaticContact CE2-CE1 3.45Å; Y150-F185 HydrophobicContact CE2-CE1 3.45Å; Y150-F185 VanDerWaalsContact CE2-CE1 3.45Å; Y150-F185 HydrophobicContact CE2-CE2 4.49Å; Y150-F185 HydrophobicContact CE2-CG 4.41Å; Y150-F185 AromaticContact CE2-CZ 3.87Å; Y150-F185 HydrophobicContact CE2-CZ 3.87Å; Y150-F185 HydrophobicContact CG-CE1 4.01Å; Y150-F185 HydrophobicContact CG-CZ 4.26Å; Y150-F185 AromaticContact CZ-CD1 3.66Å; Y150-F185 AromaticContact CZ-CE1 3.57Å; Y150-I189 HydrophobicContact CD1-CG2 3.75Å; Y150-I189 HydrophobicContact CE1-CB 4.28Å; Y150-I189 HydrophobicContact CE1-CD1 4.04Å; Y150-I189 HydrophobicContact CE1-CG1 3.8Å; Y150-I189 HydrophobicContact CE1-CG2 3.67Å |
| 151 | S | 96.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116.1 | 169.9 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | V105 K107 I108 D154 G155 V156 | V105-S151 WeakPolarHBondContact O-CA 3.43Å; K107-S151 WeakPolarHBondContact CA-OG 3.43Å; I108-S151 PolarHBondContact N-OG 3.45Å; S151-D154 PolarHBondContact OG-OD2 2.99Å; S151-G155 WeakPolarHBondContact O-CA 3.34Å; S151-G155 PolarHBondContact O-N 3.47Å; S151-V156 PolarHBondContact N-O 3.4Å; S151-V156 PolarHBondContact O-N 3.42Å; S151-V156 VanDerWaalsContact O-N 3.12Å |
| 152 | K | 96.3 | Very high | 93.8 | Very high | 92 Ų | 92 | 23.7 Ų | 23.7 | 40% | 0.4 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -56.7 | -172.3 | -179.6 | -168.9 | 176.6 | -174.9 | 0 | 112.5 | L64 V105 K106 Y150 D154 G155 I189 | L64-K152 HydrophobicContact CD1-CB 4.2Å; L64-K152 HydrophobicContact CD1-CD 4.25Å; L64-K152 HydrophobicContact CD2-CD 4.05Å; V105-K152 PolarHBondContact O-N 3.37Å; K106-K152 PolarHBondContact O-N 2.7Å; Y150-K152 HydrophobicContact CE1-CB 3.98Å; Y150-K152 HydrophobicContact CE1-CG 4.49Å; K152-D154 VanDerWaalsContact C-N 3.31Å; K152-D154 PolarHBondContact O-N 2.67Å; K152-G155 PolarHBondContact O-N 3.41Å; K152-I189 HydrophobicContact CB-CD1 4.31Å; K152-I189 HydrophobicContact CD-CD1 3.77Å; K152-I189 HydrophobicContact CG-CD1 3.86Å |
| 153 | D | 94.4 | Very high | 94.4 | Very high | 90 Ų | 90 | 25.4 Ų | 25.4 | 48% | 0.481 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27 | -171.5 | -67.1 | -7 | 0 | 0 | 0 | 111.3 | K106 K107 | K106-D153 WeakPolarHBondContact CE-OD2 3.24Å; K106-D153 WeakPolarHBondContact CG-OD2 3.37Å; K106-D153 VanDerWaalsContact O-CB 3.29Å; K106-D153 WeakPolarHBondContact O-CB 3.41Å; K106-D153 PolarHBondContact O-N 3.15Å; K107-D153 HydrophobicContact CB-CB 4.21Å; K107-D153 HydrophobicContact CG-CB 4.25Å |
| 154 | D | 92.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 26.2 Ų | 26.2 | 18% | 0.182 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -15.6 | 173.5 | -54.9 | -52.5 | 0 | 0 | 0 | 112.9 | I108 L118 S151 K152 V156 | I108-D154 WeakPolarHBondContact CB-OD2 3.33Å; I108-D154 PolarHBondContact N-OD2 2.75Å; L118-D154 HydrophobicContact CD1-CB 4.27Å; L118-D154 HydrophobicContact CD2-CB 4.49Å; S151-D154 PolarHBondContact OG-OD2 2.99Å; K152-D154 VanDerWaalsContact C-N 3.31Å; K152-D154 PolarHBondContact O-N 2.67Å; D154-V156 HydrophobicContact CB-CB 4.19Å; D154-V156 HydrophobicContact CB-CG2 3.68Å; D154-V156 PolarHBondContact O-N 3.35Å |
| 155 | G | 91.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 29% | 0.289 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 21.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F4 S151 K152 | F4-G155 WeakPolarHBondContact CE1-O 3.4Å; S151-G155 WeakPolarHBondContact O-CA 3.34Å; S151-G155 PolarHBondContact O-N 3.47Å; K152-G155 PolarHBondContact O-N 3.41Å |
| 156 | V | 93.6 | Very high | 94.3 | Very high | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.8 | -173.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | I108 L118 L119 A122 Y150 S151 D154 | I108-V156 HydrophobicContact CD1-CG1 4.38Å; L118-V156 HydrophobicContact CB-CG2 4.05Å; L119-V156 HydrophobicContact CD2-CG1 3.97Å; A122-V156 HydrophobicContact CB-CG1 3.51Å; Y150-V156 WeakPolarHBondContact CA-O 3.33Å; S151-V156 PolarHBondContact N-O 3.4Å; S151-V156 PolarHBondContact O-N 3.42Å; S151-V156 VanDerWaalsContact O-N 3.12Å; D154-V156 HydrophobicContact CB-CB 4.19Å; D154-V156 HydrophobicContact CB-CG2 3.68Å; D154-V156 PolarHBondContact O-N 3.35Å |
| 157 | L | 95.9 | Very high | 93.8 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.4 | 171.7 | -172.4 | 77 | 0 | 0 | 0 | 108.8 | L148 L149 Y150 A178 F185 I196 | L148-L157 HydrophobicContact CD1-CD1 3.66Å; L148-L157 HydrophobicContact CD1-CG 4.1Å; L148-L157 HydrophobicContact CG-CD1 4.29Å; L149-L157 WeakPolarHBondContact O-CA 3.47Å; Y150-L157 HydrophobicContact CD2-CD1 4.04Å; L157-A178 HydrophobicContact CD2-CB 3.69Å; L157-F185 HydrophobicContact CD1-CE2 4.39Å; L157-F185 HydrophobicContact CD1-CZ 4.18Å; L157-I196 HydrophobicContact CD1-CD1 3.74Å; L157-I196 HydrophobicContact CD2-CD1 3.4Å; L157-I196 VanDerWaalsContact CD2-CD1 3.4Å; L157-I196 HydrophobicContact CD2-CG1 4.38Å; L157-I196 HydrophobicContact CG-CD1 4.18Å |
| 158 | Y | 96.6 | Very high | 93.4 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 26% | 0.255 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.8 | 174.4 | -167.9 | -87 | 0 | 0 | 0 | 111.3 | A122 A123 S126 L149 I160 | A122-Y158 HydrophobicContact CB-CG 4.35Å; A123-Y158 HydrophobicContact CB-CD1 4.48Å; A123-Y158 HydrophobicContact CB-CD2 4.06Å; A123-Y158 HydrophobicContact CB-CE1 3.9Å; A123-Y158 HydrophobicContact CB-CE2 3.44Å; A123-Y158 VanDerWaalsContact CB-CE2 3.44Å; A123-Y158 WeakPolarHBondContact CB-OH 3.39Å; S126-Y158 VanDerWaalsContact OG-CD1 3.32Å; S126-Y158 WeakPolarHBondContact OG-CD1 3.49Å; L149-Y158 PolarHBondContact N-O 3.41Å; L149-Y158 PolarHBondContact O-N 2.97Å; Y158-I160 HydrophobicContact CE1-CB 4.14Å |
| 159 | T | 97.6 | Very high | 93 | Very high | 15 Ų | 15 | 42 Ų | 42 | 9% | 0.092 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.4 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | I146 I147 L148 I174 Y200 | I146-T159 HydrophobicContact CG2-CG2 3.54Å; I147-T159 WeakPolarHBondContact O-CA 3.45Å; L148-T159 WeakPolarHBondContact CD1-OG1 3.36Å; T159-I174 HydrophobicContact CG2-CD1 4.36Å; T159-Y200 WeakPolarHBondContact CB-OH 3.32Å; T159-Y200 HydrophobicContact CG2-CE2 3.69Å; T159-Y200 WeakPolarHBondContact CG2-OH 3.43Å; T159-Y200 PolarHBondContact OG1-OH 3.26Å |
| 160 | I | 94.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 8% | 0.082 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.4 | 164.9 | -176.1 | 169.5 | 0 | 0 | 0 | 109.1 | Y127 F130 I146 I147 Y158 | Y127-I160 HydrophobicContact CD2-CD1 3.93Å; F130-I160 HydrophobicContact CB-CD1 4.35Å; F130-I160 HydrophobicContact CB-CG2 4.06Å; F130-I160 HydrophobicContact CD2-CD1 4.42Å; F130-I160 HydrophobicContact CD2-CG1 4.19Å; F130-I160 HydrophobicContact CD2-CG2 3.88Å; F130-I160 HydrophobicContact CG-CD1 4.27Å; F130-I160 HydrophobicContact CG-CG2 4.31Å; I146-I160 CarbonylContact C-O 3.57Å; I146-I160 VanDerWaalsContact CA-O 3.29Å; I146-I160 WeakPolarHBondContact CA-O 3.37Å; I147-I160 HydrophobicContact CB-CG2 3.66Å; I147-I160 HydrophobicContact CG1-CG2 4.22Å; I147-I160 PolarHBondContact N-O 3.29Å; I147-I160 PolarHBondContact O-N 2.9Å; Y158-I160 HydrophobicContact CE1-CB 4.14Å |
| 161 | A | 93.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | K145 I146 L165 R166 | K145-A161 WeakPolarHBondContact O-CA 3.07Å; I146-A161 HydrophobicContact CG1-CB 4.12Å; A161-L165 HydrophobicContact CB-CB 4.1Å; A161-R166 PolarHBondContact O-NE 3.4Å; A161-R166 PolarHBondContact O-NH2 3.01Å |
| 162 | G | 92.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | trans | -62.4 | 162.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S143 K145 L164 L165 R166 | S143-G162 CarbonylContact O-C 3.58Å; S143-G162 WeakPolarHBondContact O-CA 3.07Å; K145-G162 PolarHBondContact O-N 2.94Å; G162-L164 PolarHBondContact O-N 3.49Å; G162-L165 PolarHBondContact O-N 2.98Å; G162-L165 VanDerWaalsContact O-N 3.13Å; G162-R166 WeakPolarHBondContact O-CG 3.38Å; G162-R166 PolarHBondContact O-N 3.47Å | ||
| 163 | N | 89.5 | Confident | 92 | Very high | 112 Ų | 112 | 52.8 Ų | 52.8 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -38.3 | -171.8 | 61.5 | -19 | 0 | 0 | 0 | 114.5 | S143 L165 R166 | S143-N163 WeakPolarHBondContact CA-OD1 3.21Å; S143-N163 WeakPolarHBondContact CB-OD1 3.5Å; N163-L165 PolarHBondContact O-N 3.19Å; N163-R166 PolarHBondContact O-N 3.36Å |
| 164 | L | 88.4 | Confident | 92 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -32.8 | 177.8 | -73.7 | -179.6 | 0 | 0 | 0 | 111.8 | V93 P96 C139 S143 G162 | V93-L164 HydrophobicContact CB-CD2 4.29Å; V93-L164 HydrophobicContact CG1-CD2 3.42Å; V93-L164 VanDerWaalsContact CG1-CD2 3.42Å; P96-L164 HydrophobicContact CB-CB 4.23Å; C139-L164 HydrophobicContact CB-CD1 4.03Å; S143-L164 PolarHBondContact O-N 3.45Å; S143-L164 VanDerWaalsContact OG-CD1 3.23Å; S143-L164 WeakPolarHBondContact OG-CD1 3.28Å; G162-L164 PolarHBondContact O-N 3.49Å |
| 165 | L | 91.1 | Very high | 92 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -79.2 | -28.6 | -179 | -69.1 | 165.2 | 0 | 0 | 0 | 112.9 | P96 P98 G144 K145 I146 A161 G162 N163 R167 K168 L169 V204 | P96-L165 HydrophobicContact CB-CD2 3.73Å; P96-L165 HydrophobicContact CB-CG 4.3Å; P96-L165 HydrophobicContact CG-CD2 3.86Å; P98-L165 HydrophobicContact CB-CD1 4.24Å; P98-L165 HydrophobicContact CB-CD2 3.89Å; P98-L165 HydrophobicContact CG-CD2 4.49Å; G144-L165 VanDerWaalsContact C-CD1 3.47Å; K145-L165 WeakPolarHBondContact O-CD1 3.46Å; I146-L165 HydrophobicContact CD1-CD1 3.89Å; I146-L165 HydrophobicContact CG1-CD1 3.43Å; I146-L165 VanDerWaalsContact CG1-CD1 3.43Å; A161-L165 HydrophobicContact CB-CB 4.1Å; G162-L165 PolarHBondContact O-N 2.98Å; G162-L165 VanDerWaalsContact O-N 3.13Å; N163-L165 PolarHBondContact O-N 3.19Å; L165-R167 PolarHBondContact O-N 2.87Å; L165-R167 VanDerWaalsContact O-N 3.08Å; L165-K168 PolarHBondContact O-N 3.17Å; L165-L169 HydrophobicContact CB-CD1 4.48Å; L165-L169 WeakPolarHBondContact O-CB 3.18Å; L165-L169 PolarHBondContact O-N 3.23Å; L165-V204 HydrophobicContact CD2-CG2 3.61Å |
| 166 | R | 87.1 | Confident | 92.2 | Very high | 147 Ų | 147 | 52.8 Ų | 52.8 | 56% | 0.555 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -61.9 | -19.8 | -176 | -73 | 179 | -170.4 | -173 | 1.8 | 114.9 | A161 G162 N163 L169 T170 | A161-R166 PolarHBondContact O-NE 3.4Å; A161-R166 PolarHBondContact O-NH2 3.01Å; G162-R166 WeakPolarHBondContact O-CG 3.38Å; G162-R166 PolarHBondContact O-N 3.47Å; N163-R166 PolarHBondContact O-N 3.36Å; R166-L169 CarbonylContact O-C 3.59Å; R166-T170 WeakPolarHBondContact O-CA 3.09Å; R166-T170 PolarHBondContact O-N 3Å |
| 167 | R | 84.5 | Confident | 92.4 | Very high | 173 Ų | 173 | 53.1 Ų | 53.1 | 65% | 0.653 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -74.2 | -36.6 | 173.2 | -74 | -172.3 | 130.9 | -159.6 | -1.8 | 112.7 | L165 | L165-R167 PolarHBondContact O-N 2.87Å; L165-R167 VanDerWaalsContact O-N 3.08Å |
| 168 | K | 88.8 | Confident | 92.3 | Very high | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -31.2 | 178.8 | -63.9 | -71.3 | -170.2 | 167.3 | 0 | 112.7 | N94 P96 L165 Q173 S206 S208 | N94-K168 WeakPolarHBondContact O-CE 3.41Å; N94-K168 PolarHBondContact O-NZ 2.95Å; N94-K168 VanDerWaalsContact O-NZ 3.15Å; P96-K168 HydrophobicContact CG-CG 4.12Å; L165-K168 PolarHBondContact O-N 3.17Å; K168-Q173 PolarHBondContact O-NE2 3.05Å; K168-Q173 PolarHBondContact O-OE1 2.74Å; K168-S206 PolarHBondContact NZ-O 3.38Å; K168-S208 VanDerWaalsContact NZ-N 3.16Å |
| 169 | L | 91.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -113.3 | 70.2 | 176.3 | -70.2 | 172.8 | 0 | 0 | 0 | 109.2 | I146 L165 R166 I174 Y200 A203 V204 | I146-L169 HydrophobicContact CD1-CD1 3.4Å; L165-L169 HydrophobicContact CB-CD1 4.48Å; L165-L169 WeakPolarHBondContact O-CB 3.18Å; L165-L169 PolarHBondContact O-N 3.23Å; R166-L169 CarbonylContact O-C 3.59Å; L169-I174 HydrophobicContact CB-CD1 4.39Å; L169-I174 HydrophobicContact CB-CG1 4.35Å; L169-Y200 HydrophobicContact CD1-CD1 4.36Å; L169-Y200 HydrophobicContact CD1-CG 4.27Å; L169-Y200 HydrophobicContact CD2-CD1 3.58Å; L169-Y200 HydrophobicContact CD2-CE1 4.19Å; L169-Y200 HydrophobicContact CD2-CG 4.19Å; L169-A203 HydrophobicContact CD2-CB 3.49Å; L169-A203 VanDerWaalsContact CD2-CB 3.49Å; L169-A203 HydrophobicContact CG-CB 4.37Å; L169-V204 HydrophobicContact CD1-CG2 4.03Å; L169-V204 HydrophobicContact CG-CG2 4.24Å |
| 170 | T | 91 | Very high | 92.2 | Very high | 56 Ų | 56 | 61.5 Ų | 61.5 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | trans | -63.1 | 157 | 174.7 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | R166 K172 Q173 I174 | R166-T170 WeakPolarHBondContact O-CA 3.09Å; R166-T170 PolarHBondContact O-N 3Å; T170-K172 PolarHBondContact O-N 2.96Å; T170-K172 VanDerWaalsContact O-N 3.16Å; T170-Q173 PolarHBondContact O-N 3.14Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.28Å; T170-Q173 PolarHBondContact OG1-N 3.08Å; T170-Q173 PolarHBondContact OG1-OE1 2.99Å; T170-I174 PolarHBondContact O-N 2.89Å | ||
| 171 | T | 91 | Very high | 92.3 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 44% | 0.442 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -51.5 | -40.4 | 174 | -54.7 | 0 | 0 | 0 | 0 | 112 | V9 Q173 I174 I175 | V9-T171 HydrophobicContact CG2-CG2 3.78Å; T171-Q173 PolarHBondContact O-N 2.89Å; T171-I174 PolarHBondContact O-N 3.35Å; T171-I175 HydrophobicContact CG2-CD1 3.84Å; T171-I175 HydrophobicContact CG2-CG1 4.48Å; T171-I175 WeakPolarHBondContact O-CB 3.36Å; T171-I175 VanDerWaalsContact O-CG1 3.26Å; T171-I175 WeakPolarHBondContact O-CG1 2.97Å; T171-I175 PolarHBondContact O-N 3.29Å |
| 172 | K | 92.3 | Very high | 92.2 | Very high | 156 Ų | 156 | 67.4 Ų | 67.4 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 176.7 | -175.1 | 176.6 | -179.7 | 176.8 | 0 | 112.2 | T170 N176 | T170-K172 PolarHBondContact O-N 2.96Å; T170-K172 VanDerWaalsContact O-N 3.16Å; K172-N176 WeakPolarHBondContact O-CB 3.41Å; K172-N176 PolarHBondContact O-N 3.05Å; K172-N176 PolarHBondContact O-ND2 2.92Å |
| 173 | Q | 93.5 | Very high | 92.3 | Very high | 60 Ų | 60 | 74 Ų | 74 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 176.7 | -75.5 | 162.3 | -62 | 0 | 0 | 111.6 | K168 T170 T171 I175 N176 I177 | K168-Q173 PolarHBondContact O-NE2 3.05Å; K168-Q173 PolarHBondContact O-OE1 2.74Å; T170-Q173 PolarHBondContact O-N 3.14Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.28Å; T170-Q173 PolarHBondContact OG1-N 3.08Å; T170-Q173 PolarHBondContact OG1-OE1 2.99Å; T171-Q173 PolarHBondContact O-N 2.89Å; Q173-I175 VanDerWaalsContact C-N 3.33Å; Q173-I175 PolarHBondContact O-N 2.72Å; Q173-N176 PolarHBondContact O-N 2.81Å; Q173-I177 WeakPolarHBondContact O-CB 3.4Å; Q173-I177 VanDerWaalsContact O-CG1 3.24Å; Q173-I177 WeakPolarHBondContact O-CG1 3.45Å; Q173-I177 PolarHBondContact O-N 3.36Å |
| 174 | I | 94.8 | Very high | 92.7 | Very high | 28 Ų | 28 | 70.7 Ų | 70.7 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 177.4 | -68.4 | 172.6 | 0 | 0 | 0 | 110.5 | T159 L169 T170 T171 I177 A178 Y200 | T159-I174 HydrophobicContact CG2-CD1 4.36Å; L169-I174 HydrophobicContact CB-CD1 4.39Å; L169-I174 HydrophobicContact CB-CG1 4.35Å; T170-I174 PolarHBondContact O-N 2.89Å; T171-I174 PolarHBondContact O-N 3.35Å; I174-I177 PolarHBondContact O-N 2.99Å; I174-A178 WeakPolarHBondContact O-CB 3.42Å; I174-A178 PolarHBondContact O-N 3.37Å; I174-Y200 HydrophobicContact CG1-CE1 4.42Å |
| 175 | I | 93.6 | Very high | 93 | Very high | 52 Ų | 52 | 71.3 Ų | 71.3 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 177.3 | -69.7 | 168.1 | 0 | 0 | 0 | 111 | T171 Q173 I177 A178 I179 | T171-I175 HydrophobicContact CG2-CD1 3.84Å; T171-I175 HydrophobicContact CG2-CG1 4.48Å; T171-I175 WeakPolarHBondContact O-CB 3.36Å; T171-I175 VanDerWaalsContact O-CG1 3.26Å; T171-I175 WeakPolarHBondContact O-CG1 2.97Å; T171-I175 PolarHBondContact O-N 3.29Å; Q173-I175 VanDerWaalsContact C-N 3.33Å; Q173-I175 PolarHBondContact O-N 2.72Å; I175-I177 VanDerWaalsContact C-N 3.3Å; I175-I177 PolarHBondContact O-N 2.79Å; I175-A178 PolarHBondContact O-N 3.02Å; I175-I179 HydrophobicContact CG2-CD1 3.71Å; I175-I179 HydrophobicContact CG2-CG1 4.36Å; I175-I179 WeakPolarHBondContact O-CG1 3.48Å; I175-I179 PolarHBondContact O-N 3.15Å |
| 176 | N | 95.7 | Very high | 93.1 | Very high | 72 Ų | 72 | 76.1 Ų | 76.1 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 179.2 | -74.2 | -14.5 | 0 | 0 | 0 | 112.3 | K172 Q173 R180 | K172-N176 WeakPolarHBondContact O-CB 3.41Å; K172-N176 PolarHBondContact O-N 3.05Å; K172-N176 PolarHBondContact O-ND2 2.92Å; Q173-N176 PolarHBondContact O-N 2.81Å; N176-R180 WeakPolarHBondContact O-CB 3.37Å; N176-R180 VanDerWaalsContact O-CG 3.3Å; N176-R180 WeakPolarHBondContact O-CG 3.26Å; N176-R180 PolarHBondContact O-N 2.84Å; N176-R180 VanDerWaalsContact O-N 3.1Å |
| 177 | I | 97 | Very high | 93.4 | Very high | 16 Ų | 16 | 74.2 Ų | 74.2 | 8% | 0.082 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 176.1 | -69.2 | 167.3 | 0 | 0 | 0 | 110.1 | Q173 I174 I175 I179 R180 S181 Y195 I196 R199 Y200 | Q173-I177 WeakPolarHBondContact O-CB 3.4Å; Q173-I177 VanDerWaalsContact O-CG1 3.24Å; Q173-I177 WeakPolarHBondContact O-CG1 3.45Å; Q173-I177 PolarHBondContact O-N 3.36Å; I174-I177 PolarHBondContact O-N 2.99Å; I175-I177 VanDerWaalsContact C-N 3.3Å; I175-I177 PolarHBondContact O-N 2.79Å; I177-I179 PolarHBondContact O-N 2.85Å; I177-R180 PolarHBondContact O-N 2.78Å; I177-S181 WeakPolarHBondContact O-CB 3.34Å; I177-S181 PolarHBondContact O-N 3.24Å; I177-S181 PolarHBondContact O-OG 3.03Å; I177-Y195 HydrophobicContact CG2-CE1 4.47Å; I177-I196 HydrophobicContact CG2-CB 4.33Å; I177-I196 HydrophobicContact CG2-CG1 4.08Å; I177-I196 HydrophobicContact CG2-CG2 4.16Å; I177-R199 HydrophobicContact CB-CB 4.47Å; I177-R199 HydrophobicContact CD1-CB 3.72Å; I177-R199 HydrophobicContact CG1-CB 3.8Å; I177-R199 HydrophobicContact CG1-CG 4.41Å; I177-R199 HydrophobicContact CG2-CB 3.83Å; I177-R199 HydrophobicContact CG2-CG 4.32Å; I177-Y200 HydrophobicContact CB-CE1 4.36Å; I177-Y200 HydrophobicContact CD1-CD1 3.68Å; I177-Y200 HydrophobicContact CD1-CE1 3.74Å; I177-Y200 HydrophobicContact CG2-CD1 4.47Å; I177-Y200 HydrophobicContact CG2-CE1 3.99Å |
| 178 | A | 95.4 | Very high | 94 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 24% | 0.24 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L157 I174 I175 S181 | L157-A178 HydrophobicContact CD2-CB 3.69Å; I174-A178 WeakPolarHBondContact O-CB 3.42Å; I174-A178 PolarHBondContact O-N 3.37Å; I175-A178 PolarHBondContact O-N 3.02Å; A178-S181 PolarHBondContact O-OG 2.86Å |
| 179 | I | 94.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 67.6 Ų | 67.6 | 46% | 0.456 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 176.7 | -69.7 | 168 | 0 | 0 | 0 | 110.3 | I175 I177 R182 | I175-I179 HydrophobicContact CG2-CD1 3.71Å; I175-I179 HydrophobicContact CG2-CG1 4.36Å; I175-I179 WeakPolarHBondContact O-CG1 3.48Å; I175-I179 PolarHBondContact O-N 3.15Å; I177-I179 PolarHBondContact O-N 2.85Å; I179-R182 WeakPolarHBondContact O-CB 3.41Å; I179-R182 VanDerWaalsContact O-CG 3.29Å; I179-R182 WeakPolarHBondContact O-CG 3.45Å; I179-R182 PolarHBondContact O-N 2.81Å |
| 180 | R | 95.9 | Very high | 94.8 | Very high | 169 Ų | 169 | 67.7 Ų | 67.7 | 64% | 0.638 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.4 | -34.4 | -178.3 | -70.9 | 177 | 179.1 | -171.4 | -1.9 | 112.7 | N176 I177 R182 E183 Q184 Y195 | N176-R180 WeakPolarHBondContact O-CB 3.37Å; N176-R180 VanDerWaalsContact O-CG 3.3Å; N176-R180 WeakPolarHBondContact O-CG 3.26Å; N176-R180 PolarHBondContact O-N 2.84Å; N176-R180 VanDerWaalsContact O-N 3.1Å; I177-R180 PolarHBondContact O-N 2.78Å; R180-R182 PolarHBondContact O-N 3.42Å; R180-R182 VanDerWaalsContact O-N 3.1Å; R180-E183 PolarHBondContact O-N 3.35Å; R180-Q184 PolarHBondContact O-OE1 2.94Å; R180-Y195 HydrophobicContact CB-CE1 4.08Å; R180-Y195 VanDerWaalsContact CB-OH 3.31Å; R180-Y195 WeakPolarHBondContact CB-OH 3.35Å |
| 181 | S | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.8 | 179.8 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | I177 A178 E183 Q184 F185 | I177-S181 WeakPolarHBondContact O-CB 3.34Å; I177-S181 PolarHBondContact O-N 3.24Å; I177-S181 PolarHBondContact O-OG 3.03Å; A178-S181 PolarHBondContact O-OG 2.86Å; S181-E183 PolarHBondContact O-N 3.18Å; S181-Q184 VanDerWaalsContact CA-OE1 3.26Å; S181-Q184 PolarHBondContact O-N 3.24Å; S181-Q184 PolarHBondContact O-OE1 3.01Å; S181-F185 VanDerWaalsContact O-CD2 3.26Å; S181-F185 WeakPolarHBondContact O-CD2 3.45Å; S181-F185 PolarHBondContact O-N 3.2Å |
| 182 | R | 93.4 | Very high | 95.5 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.7 | -36.2 | 177.8 | -68.9 | -177.4 | 70.4 | -178.6 | 2.9 | 112.9 | I179 R180 Q184 S186 | I179-R182 WeakPolarHBondContact O-CB 3.41Å; I179-R182 VanDerWaalsContact O-CG 3.29Å; I179-R182 WeakPolarHBondContact O-CG 3.45Å; I179-R182 PolarHBondContact O-N 2.81Å; R180-R182 PolarHBondContact O-N 3.42Å; R180-R182 VanDerWaalsContact O-N 3.1Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; R182-S186 PolarHBondContact O-N 2.94Å |
| 183 | E | 94.3 | Very high | 95.8 | Very high | 141 Ų | 141 | 57 Ų | 57 | 66% | 0.659 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.5 | -45.1 | 176.6 | -175.7 | 179.3 | -168.6 | 0 | 0 | 110.4 | R180 S181 S186 | R180-E183 PolarHBondContact O-N 3.35Å; S181-E183 PolarHBondContact O-N 3.18Å; E183-S186 WeakPolarHBondContact O-CB 3.47Å; E183-S186 PolarHBondContact O-N 3.13Å; E183-S186 PolarHBondContact O-OG 3.4Å |
| 184 | Q | 96.9 | Very high | 96 | Very high | 43 Ų | 43 | 54.6 Ų | 54.6 | 20% | 0.201 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.9 | -34.4 | -179.1 | -65.8 | 74.4 | 23.2 | 0 | 0 | 112.4 | R180 S181 R182 S186 T187 S188 D191 Y195 | R180-Q184 PolarHBondContact O-OE1 2.94Å; S181-Q184 VanDerWaalsContact CA-OE1 3.26Å; S181-Q184 PolarHBondContact O-N 3.24Å; S181-Q184 PolarHBondContact O-OE1 3.01Å; R182-Q184 VanDerWaalsContact C-N 3.35Å; Q184-S186 PolarHBondContact O-N 3.3Å; Q184-T187 WeakPolarHBondContact O-CB 3.32Å; Q184-T187 PolarHBondContact O-N 2.86Å; Q184-S188 PolarHBondContact O-N 2.71Å; Q184-S188 VanDerWaalsContact O-N 3.16Å; Q184-D191 HydrophobicContact CB-CB 4.26Å; Q184-Y195 HydrophobicContact CG-CD2 3.93Å; Q184-Y195 HydrophobicContact CG-CG 4.02Å |
| 185 | F | 95.5 | Very high | 96.2 | Very high | 36 Ų | 36 | 55 Ų | 55 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -22.2 | 171.5 | -82.8 | -70.8 | 0 | 0 | 0 | 113.4 | Y150 L157 S181 T187 I189 I193 I196 | Y150-F185 HydrophobicContact CD1-CE1 4.14Å; Y150-F185 HydrophobicContact CD2-CD1 4.44Å; Y150-F185 AromaticContact CD2-CE1 3.69Å; Y150-F185 HydrophobicContact CD2-CE1 3.69Å; Y150-F185 AromaticContact CD2-CZ 3.78Å; Y150-F185 HydrophobicContact CD2-CZ 3.78Å; Y150-F185 HydrophobicContact CE1-CD1 4.3Å; Y150-F185 AromaticContact CE1-CE1 3.93Å; Y150-F185 HydrophobicContact CE1-CE1 3.93Å; Y150-F185 AromaticContact CE2-CD1 3.75Å; Y150-F185 HydrophobicContact CE2-CD1 3.75Å; Y150-F185 AromaticContact CE2-CE1 3.45Å; Y150-F185 HydrophobicContact CE2-CE1 3.45Å; Y150-F185 VanDerWaalsContact CE2-CE1 3.45Å; Y150-F185 HydrophobicContact CE2-CE2 4.49Å; Y150-F185 HydrophobicContact CE2-CG 4.41Å; Y150-F185 AromaticContact CE2-CZ 3.87Å; Y150-F185 HydrophobicContact CE2-CZ 3.87Å; Y150-F185 HydrophobicContact CG-CE1 4.01Å; Y150-F185 HydrophobicContact CG-CZ 4.26Å; Y150-F185 AromaticContact CZ-CD1 3.66Å; Y150-F185 AromaticContact CZ-CE1 3.57Å; L157-F185 HydrophobicContact CD1-CE2 4.39Å; L157-F185 HydrophobicContact CD1-CZ 4.18Å; S181-F185 VanDerWaalsContact O-CD2 3.26Å; S181-F185 WeakPolarHBondContact O-CD2 3.45Å; S181-F185 PolarHBondContact O-N 3.2Å; F185-T187 PolarHBondContact O-N 2.86Å; F185-I189 HydrophobicContact CE1-CG2 4.38Å; F185-I193 HydrophobicContact CE1-CG1 4.08Å; F185-I193 HydrophobicContact CZ-CG1 3.98Å; F185-I196 HydrophobicContact CE2-CD1 3.68Å; F185-I196 HydrophobicContact CZ-CD1 3.99Å |
| 186 | S | 92.1 | Very high | 96.4 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 70% | 0.699 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.3 | -23 | 173.5 | 80.4 | 0 | 0 | 0 | 0 | 112.9 | R182 E183 Q184 | R182-S186 PolarHBondContact O-N 2.94Å; E183-S186 WeakPolarHBondContact O-CB 3.47Å; E183-S186 PolarHBondContact O-N 3.13Å; E183-S186 PolarHBondContact O-OG 3.4Å; Q184-S186 PolarHBondContact O-N 3.3Å |
| 187 | T | 94.4 | Very high | 96.5 | Very high | 108 Ų | 108 | 49 Ų | 49 | 66% | 0.663 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -84 | -59 | 172.7 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | Q184 F185 D191 | Q184-T187 WeakPolarHBondContact O-CB 3.32Å; Q184-T187 PolarHBondContact O-N 2.86Å; F185-T187 PolarHBondContact O-N 2.86Å; T187-D191 VanDerWaalsContact CG2-OD2 3.24Å; T187-D191 WeakPolarHBondContact CG2-OD2 3.48Å |
| 188 | S | 96.7 | Very high | 96.6 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -160.3 | 157.7 | 177.5 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | Q184 S190 D191 G192 | Q184-S188 PolarHBondContact O-N 2.71Å; Q184-S188 VanDerWaalsContact O-N 3.16Å; S188-S190 VanDerWaalsContact C-N 3.25Å; S188-S190 PolarHBondContact O-N 3.36Å; S188-S190 PolarHBondContact OG-OG 3.19Å; S188-D191 PolarHBondContact O-N 3.05Å; S188-D191 WeakPolarHBondContact OG-CB 3.35Å; S188-D191 PolarHBondContact OG-N 2.93Å; S188-D191 PolarHBondContact OG-OD2 2.63Å; S188-G192 PolarHBondContact O-N 3Å; S188-G192 VanDerWaalsContact O-N 3.09Å | ||
| 189 | I | 97.9 | Very high | 96.7 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 174.2 | -61.1 | 173.9 | 0 | 0 | 0 | 110.4 | L64 L65 Y150 K152 F185 D191 G192 I193 | L64-I189 HydrophobicContact CB-CD1 4.29Å; L65-I189 HydrophobicContact CD2-CB 3.77Å; L65-I189 HydrophobicContact CD2-CG2 3.84Å; Y150-I189 HydrophobicContact CD1-CG2 3.75Å; Y150-I189 HydrophobicContact CE1-CB 4.28Å; Y150-I189 HydrophobicContact CE1-CD1 4.04Å; Y150-I189 HydrophobicContact CE1-CG1 3.8Å; Y150-I189 HydrophobicContact CE1-CG2 3.67Å; K152-I189 HydrophobicContact CB-CD1 4.31Å; K152-I189 HydrophobicContact CD-CD1 3.77Å; K152-I189 HydrophobicContact CG-CD1 3.86Å; F185-I189 HydrophobicContact CE1-CG2 4.38Å; I189-D191 VanDerWaalsContact C-N 3.35Å; I189-D191 PolarHBondContact O-N 3Å; I189-G192 PolarHBondContact O-N 3.45Å; I189-I193 HydrophobicContact CG2-CD1 3.67Å; I189-I193 HydrophobicContact CG2-CG1 4.4Å; I189-I193 VanDerWaalsContact O-CG1 3.31Å; I189-I193 WeakPolarHBondContact O-CG1 3.31Å; I189-I193 PolarHBondContact O-N 3.38Å |
| 190 | S | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -36.5 | -179.3 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | Q69 S188 A194 | Q69-S190 WeakPolarHBondContact CG-OG 3.43Å; Q69-S190 PolarHBondContact NE2-OG 2.8Å; S188-S190 VanDerWaalsContact C-N 3.25Å; S188-S190 PolarHBondContact O-N 3.36Å; S188-S190 PolarHBondContact OG-OG 3.19Å; S190-A194 WeakPolarHBondContact O-CB 3.31Å; S190-A194 PolarHBondContact O-N 3.43Å |
| 191 | D | 98.2 | Very high | 96.8 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70 | -42.3 | 177.6 | -62.8 | -32.1 | 0 | 0 | 0 | 111.4 | Q184 T187 S188 I189 A194 Y195 | Q184-D191 HydrophobicContact CB-CB 4.26Å; T187-D191 VanDerWaalsContact CG2-OD2 3.24Å; T187-D191 WeakPolarHBondContact CG2-OD2 3.48Å; S188-D191 PolarHBondContact O-N 3.05Å; S188-D191 WeakPolarHBondContact OG-CB 3.35Å; S188-D191 PolarHBondContact OG-N 2.93Å; S188-D191 PolarHBondContact OG-OD2 2.63Å; I189-D191 VanDerWaalsContact C-N 3.35Å; I189-D191 PolarHBondContact O-N 3Å; D191-A194 PolarHBondContact O-N 3.21Å; D191-Y195 WeakPolarHBondContact O-CB 3.19Å; D191-Y195 PolarHBondContact O-N 3.38Å |
| 192 | G | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S188 I189 Y195 I196 | S188-G192 PolarHBondContact O-N 3Å; S188-G192 VanDerWaalsContact O-N 3.09Å; I189-G192 PolarHBondContact O-N 3.45Å; G192-Y195 PolarHBondContact O-N 2.98Å; G192-I196 WeakPolarHBondContact O-CD1 3.12Å; G192-I196 WeakPolarHBondContact O-CG1 3.23Å; G192-I196 PolarHBondContact O-N 3.29Å |
| 193 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.3 | -66.6 | 171.6 | 0 | 0 | 0 | 110.8 | L73 V102 I104 L148 F185 I189 Y195 I196 I197 | L73-I193 HydrophobicContact CD1-CB 4.37Å; L73-I193 HydrophobicContact CD1-CD1 4.45Å; L73-I193 HydrophobicContact CD1-CG2 3.99Å; L73-I193 HydrophobicContact CD2-CB 4.11Å; L73-I193 HydrophobicContact CD2-CG2 3.75Å; V102-I193 HydrophobicContact CG1-CD1 4Å; V102-I193 HydrophobicContact CG1-CG2 4Å; V102-I193 HydrophobicContact CG2-CG2 4.21Å; I104-I193 HydrophobicContact CD1-CD1 3.55Å; I104-I193 HydrophobicContact CG1-CD1 4.02Å; L148-I193 HydrophobicContact CD2-CG2 4.12Å; F185-I193 HydrophobicContact CE1-CG1 4.08Å; F185-I193 HydrophobicContact CZ-CG1 3.98Å; I189-I193 HydrophobicContact CG2-CD1 3.67Å; I189-I193 HydrophobicContact CG2-CG1 4.4Å; I189-I193 VanDerWaalsContact O-CG1 3.31Å; I189-I193 WeakPolarHBondContact O-CG1 3.31Å; I189-I193 PolarHBondContact O-N 3.38Å; I193-Y195 VanDerWaalsContact C-N 3.29Å; I193-Y195 PolarHBondContact O-N 2.83Å; I193-I196 PolarHBondContact O-N 2.95Å; I193-I196 VanDerWaalsContact O-N 3.13Å; I193-I197 HydrophobicContact CG2-CD1 3.65Å; I193-I197 HydrophobicContact CG2-CG1 4.27Å; I193-I197 VanDerWaalsContact O-CG1 3.29Å; I193-I197 WeakPolarHBondContact O-CG1 3.01Å; I193-I197 PolarHBondContact O-N 3.3Å |
| 194 | A | 98.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M72 L73 K76 S190 D191 I197 E198 | M72-A194 HydrophobicContact CE-CB 4.35Å; L73-A194 HydrophobicContact CD2-CB 3.96Å; K76-A194 HydrophobicContact CD-CB 4.02Å; S190-A194 WeakPolarHBondContact O-CB 3.31Å; S190-A194 PolarHBondContact O-N 3.43Å; D191-A194 PolarHBondContact O-N 3.21Å; A194-I197 PolarHBondContact O-N 2.83Å; A194-E198 WeakPolarHBondContact O-CB 3.42Å; A194-E198 PolarHBondContact O-N 3.28Å |
| 195 | Y | 98.5 | Very high | 96.4 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 14% | 0.137 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 174.3 | 174.8 | -87.5 | 0 | 0 | 0 | 111.8 | I177 R180 Q184 D191 G192 I193 E198 R199 | I177-Y195 HydrophobicContact CG2-CE1 4.47Å; R180-Y195 HydrophobicContact CB-CE1 4.08Å; R180-Y195 VanDerWaalsContact CB-OH 3.31Å; R180-Y195 WeakPolarHBondContact CB-OH 3.35Å; Q184-Y195 HydrophobicContact CG-CD2 3.93Å; Q184-Y195 HydrophobicContact CG-CG 4.02Å; D191-Y195 WeakPolarHBondContact O-CB 3.19Å; D191-Y195 PolarHBondContact O-N 3.38Å; G192-Y195 PolarHBondContact O-N 2.98Å; I193-Y195 VanDerWaalsContact C-N 3.29Å; I193-Y195 PolarHBondContact O-N 2.83Å; Y195-E198 PolarHBondContact O-N 3.36Å; Y195-R199 HydrophobicContact CD1-CG 4.11Å; Y195-R199 HydrophobicContact CE1-CG 3.66Å; Y195-R199 HydrophobicContact CE2-CG 4.19Å; Y195-R199 VanDerWaalsContact CE2-NH1 3.27Å; Y195-R199 VanDerWaalsContact O-CG 3.3Å; Y195-R199 WeakPolarHBondContact O-CG 3.22Å; Y195-R199 PolarHBondContact O-N 3.21Å |
| 196 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 179.1 | -67.2 | 159.8 | 0 | 0 | 0 | 111 | L148 L157 I177 F185 G192 I193 E198 R199 Y200 | L148-I196 HydrophobicContact CD1-CD1 4.43Å; L148-I196 HydrophobicContact CD1-CG2 4.09Å; L148-I196 HydrophobicContact CD2-CB 4.25Å; L148-I196 HydrophobicContact CD2-CD1 4.31Å; L148-I196 HydrophobicContact CD2-CG2 3.87Å; L157-I196 HydrophobicContact CD1-CD1 3.74Å; L157-I196 HydrophobicContact CD2-CD1 3.4Å; L157-I196 VanDerWaalsContact CD2-CD1 3.4Å; L157-I196 HydrophobicContact CD2-CG1 4.38Å; L157-I196 HydrophobicContact CG-CD1 4.18Å; I177-I196 HydrophobicContact CG2-CB 4.33Å; I177-I196 HydrophobicContact CG2-CG1 4.08Å; I177-I196 HydrophobicContact CG2-CG2 4.16Å; F185-I196 HydrophobicContact CE2-CD1 3.68Å; F185-I196 HydrophobicContact CZ-CD1 3.99Å; G192-I196 WeakPolarHBondContact O-CD1 3.12Å; G192-I196 WeakPolarHBondContact O-CG1 3.23Å; G192-I196 PolarHBondContact O-N 3.29Å; I193-I196 PolarHBondContact O-N 2.95Å; I193-I196 VanDerWaalsContact O-N 3.13Å; I196-E198 VanDerWaalsContact C-N 3.27Å; I196-E198 PolarHBondContact O-N 3.37Å; I196-R199 PolarHBondContact O-N 2.86Å; I196-Y200 HydrophobicContact CG2-CD1 4.33Å; I196-Y200 HydrophobicContact CG2-CD2 3.88Å; I196-Y200 HydrophobicContact CG2-CE1 3.9Å; I196-Y200 HydrophobicContact CG2-CE2 3.4Å; I196-Y200 HydrophobicContact CG2-CG 4.31Å; I196-Y200 PolarHBondContact O-N 2.79Å |
| 197 | I | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.6 | -46 | 177.8 | -70 | 166.2 | 0 | 0 | 0 | 110.3 | L73 K76 L77 I80 V102 I193 A194 Y200 R201 | L73-I197 HydrophobicContact CD2-CD1 4.03Å; K76-I197 HydrophobicContact CB-CG2 3.93Å; L77-I197 HydrophobicContact CD1-CD1 4.32Å; L77-I197 HydrophobicContact CD2-CD1 3.61Å; L77-I197 HydrophobicContact CD2-CG1 3.88Å; L77-I197 HydrophobicContact CD2-CG2 4.22Å; L77-I197 HydrophobicContact CG-CD1 3.87Å; I80-I197 HydrophobicContact CD1-CG2 3.31Å; V102-I197 HydrophobicContact CG2-CD1 4.44Å; I193-I197 HydrophobicContact CG2-CD1 3.65Å; I193-I197 HydrophobicContact CG2-CG1 4.27Å; I193-I197 VanDerWaalsContact O-CG1 3.29Å; I193-I197 WeakPolarHBondContact O-CG1 3.01Å; I193-I197 PolarHBondContact O-N 3.3Å; A194-I197 PolarHBondContact O-N 2.83Å; I197-Y200 PolarHBondContact O-N 3.28Å; I197-R201 PolarHBondContact O-N 3.5Å |
| 198 | E | 98 | Very high | 93.2 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 179 | -164.7 | 61.3 | -131.1 | 0 | 0 | 112.1 | K76 A194 Y195 I196 Y200 R201 E202 | K76-E198 IonicContact NZ-OE2 3.15Å; K76-E198 PolarHBondContact NZ-OE2 3.43Å; K76-E198 VanDerWaalsContact NZ-OE2 3.15Å; A194-E198 WeakPolarHBondContact O-CB 3.42Å; A194-E198 PolarHBondContact O-N 3.28Å; Y195-E198 PolarHBondContact O-N 3.36Å; I196-E198 VanDerWaalsContact C-N 3.27Å; I196-E198 PolarHBondContact O-N 3.37Å; E198-Y200 VanDerWaalsContact C-N 3.29Å; E198-Y200 PolarHBondContact O-N 2.01Å; E198-R201 WeakPolarHBondContact O-CB 3.49Å; E198-R201 PolarHBondContact O-N 2.91Å; E198-R201 IonicContact OE1-CZ 3.12Å; E198-R201 IonicContact OE1-NE 2.75Å; E198-R201 PolarHBondContact OE1-NE 2.88Å; E198-R201 IonicContact OE1-NH2 2.67Å; E198-R201 PolarHBondContact OE1-NH2 3.37Å; E198-E202 WeakPolarHBondContact O-CG 3.04Å; E198-E202 PolarHBondContact O-N 3.03Å |
| 199 | R | 97.6 | Very high | 91.2 | Very high | 77 Ų | 77 | 42.6 Ų | 42.6 | 29% | 0.291 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.8 | -31.6 | 177.6 | -66.2 | -66.7 | 101.7 | 104.8 | -4.6 | 112.4 | I177 Y195 I196 E202 A203 | I177-R199 HydrophobicContact CB-CB 4.47Å; I177-R199 HydrophobicContact CD1-CB 3.72Å; I177-R199 HydrophobicContact CG1-CB 3.8Å; I177-R199 HydrophobicContact CG1-CG 4.41Å; I177-R199 HydrophobicContact CG2-CB 3.83Å; I177-R199 HydrophobicContact CG2-CG 4.32Å; Y195-R199 HydrophobicContact CD1-CG 4.11Å; Y195-R199 HydrophobicContact CE1-CG 3.66Å; Y195-R199 HydrophobicContact CE2-CG 4.19Å; Y195-R199 VanDerWaalsContact CE2-NH1 3.27Å; Y195-R199 VanDerWaalsContact O-CG 3.3Å; Y195-R199 WeakPolarHBondContact O-CG 3.22Å; Y195-R199 PolarHBondContact O-N 3.21Å; I196-R199 PolarHBondContact O-N 2.86Å; R199-E202 IonicContact CZ-OE1 3.1Å; R199-E202 IonicContact CZ-OE2 3.68Å; R199-E202 IonicContact NE-OE1 2.73Å; R199-E202 PolarHBondContact NE-OE1 2.85Å; R199-E202 IonicContact NE-OE2 3.35Å; R199-E202 PolarHBondContact NE-OE2 3.32Å; R199-E202 IonicContact NH2-OE1 3.51Å; R199-E202 PolarHBondContact NH2-OE1 3.43Å; R199-E202 IonicContact NH2-OE2 3.37Å; R199-E202 PolarHBondContact NH2-OE2 3.47Å; R199-A203 WeakPolarHBondContact O-CB 3.27Å; R199-A203 PolarHBondContact O-N 2.81Å |
| 200 | Y | 97.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.9 | -42 | 173.2 | -72.2 | -7.7 | 0 | 0 | 0 | 112.3 | I100 I146 T159 L169 I174 I177 I196 I197 E198 A203 V204 | I100-Y200 HydrophobicContact CD1-CD2 4.33Å; I146-Y200 HydrophobicContact CD1-CD2 4.17Å; I146-Y200 HydrophobicContact CG2-CD2 4.38Å; I146-Y200 HydrophobicContact CG2-CE2 4.18Å; T159-Y200 WeakPolarHBondContact CB-OH 3.32Å; T159-Y200 HydrophobicContact CG2-CE2 3.69Å; T159-Y200 WeakPolarHBondContact CG2-OH 3.43Å; T159-Y200 PolarHBondContact OG1-OH 3.26Å; L169-Y200 HydrophobicContact CD1-CD1 4.36Å; L169-Y200 HydrophobicContact CD1-CG 4.27Å; L169-Y200 HydrophobicContact CD2-CD1 3.58Å; L169-Y200 HydrophobicContact CD2-CE1 4.19Å; L169-Y200 HydrophobicContact CD2-CG 4.19Å; I174-Y200 HydrophobicContact CG1-CE1 4.42Å; I177-Y200 HydrophobicContact CB-CE1 4.36Å; I177-Y200 HydrophobicContact CD1-CD1 3.68Å; I177-Y200 HydrophobicContact CD1-CE1 3.74Å; I177-Y200 HydrophobicContact CG2-CD1 4.47Å; I177-Y200 HydrophobicContact CG2-CE1 3.99Å; I196-Y200 HydrophobicContact CG2-CD1 4.33Å; I196-Y200 HydrophobicContact CG2-CD2 3.88Å; I196-Y200 HydrophobicContact CG2-CE1 3.9Å; I196-Y200 HydrophobicContact CG2-CE2 3.4Å; I196-Y200 HydrophobicContact CG2-CG 4.31Å; I196-Y200 PolarHBondContact O-N 2.79Å; I197-Y200 PolarHBondContact O-N 3.28Å; E198-Y200 VanDerWaalsContact C-N 3.29Å; E198-Y200 PolarHBondContact O-N 2.01Å; Y200-A203 PolarHBondContact O-N 3.3Å; Y200-V204 WeakPolarHBondContact O-CB 3.45Å; Y200-V204 WeakPolarHBondContact O-CG2 3Å; Y200-V204 PolarHBondContact O-N 3.37Å |
| 201 | R | 95.7 | Very high | 86.1 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.4 | -54.5 | 172.6 | -173.6 | -174.8 | 71.9 | 74.1 | 10.6 | 111 | I80 V84 I197 E198 A203 V204 E205 | I80-R201 HydrophobicContact CD1-CB 3.82Å; I80-R201 HydrophobicContact CD1-CG 4.34Å; I80-R201 HydrophobicContact CG1-CB 4.01Å; I80-R201 HydrophobicContact CG1-CG 3.96Å; V84-R201 HydrophobicContact CG2-CG 3.81Å; I197-R201 PolarHBondContact O-N 3.5Å; E198-R201 WeakPolarHBondContact O-CB 3.49Å; E198-R201 PolarHBondContact O-N 2.91Å; E198-R201 IonicContact OE1-CZ 3.12Å; E198-R201 IonicContact OE1-NE 2.75Å; E198-R201 PolarHBondContact OE1-NE 2.88Å; E198-R201 IonicContact OE1-NH2 2.67Å; E198-R201 PolarHBondContact OE1-NH2 3.37Å; R201-A203 VanDerWaalsContact C-N 3.33Å; R201-A203 PolarHBondContact O-N 3.22Å; R201-V204 PolarHBondContact O-N 3.12Å; R201-V204 VanDerWaalsContact O-N 3.17Å; R201-E205 IonicContact CZ-OE2 3.54Å; R201-E205 IonicContact NH1-OE1 3Å; R201-E205 PolarHBondContact NH1-OE1 3.17Å; R201-E205 IonicContact NH1-OE2 2.63Å; R201-E205 PolarHBondContact NH1-OE2 2.87Å; R201-E205 WeakPolarHBondContact O-CG 3.44Å; R201-E205 PolarHBondContact O-N 2.61Å |
| 202 | E | 94.9 | Very high | 83.7 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | -179.9 | -70.9 | 170.7 | -175.3 | 0 | 0 | 112.4 | E198 R199 V204 E205 S206 | E198-E202 WeakPolarHBondContact O-CG 3.04Å; E198-E202 PolarHBondContact O-N 3.03Å; R199-E202 IonicContact CZ-OE1 3.1Å; R199-E202 IonicContact CZ-OE2 3.68Å; R199-E202 IonicContact NE-OE1 2.73Å; R199-E202 PolarHBondContact NE-OE1 2.85Å; R199-E202 IonicContact NE-OE2 3.35Å; R199-E202 PolarHBondContact NE-OE2 3.32Å; R199-E202 IonicContact NH2-OE1 3.51Å; R199-E202 PolarHBondContact NH2-OE1 3.43Å; R199-E202 IonicContact NH2-OE2 3.37Å; R199-E202 PolarHBondContact NH2-OE2 3.47Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-V204 PolarHBondContact O-N 3.2Å; E202-E205 PolarHBondContact O-N 3.4Å; E202-S206 WeakPolarHBondContact O-CB 3.44Å; E202-S206 PolarHBondContact O-N 2.86Å |
| 203 | A | 93.2 | Very high | 81.2 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L169 R199 Y200 R201 S206 | L169-A203 HydrophobicContact CD2-CB 3.49Å; L169-A203 VanDerWaalsContact CD2-CB 3.49Å; L169-A203 HydrophobicContact CG-CB 4.37Å; R199-A203 WeakPolarHBondContact O-CB 3.27Å; R199-A203 PolarHBondContact O-N 2.81Å; Y200-A203 PolarHBondContact O-N 3.3Å; R201-A203 VanDerWaalsContact C-N 3.33Å; R201-A203 PolarHBondContact O-N 3.22Å; A203-S206 PolarHBondContact O-OG 3.07Å |
| 204 | V | 92.5 | Very high | 78.4 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.8 | -42.8 | 177.4 | 165.3 | 0 | 0 | 0 | 0 | 112.1 | V84 P96 P98 L165 L169 Y200 R201 E202 S206 | V84-V204 HydrophobicContact CG1-CG1 3.61Å; P96-V204 HydrophobicContact CG-CG1 3.94Å; P98-V204 HydrophobicContact CG-CB 4.47Å; P98-V204 HydrophobicContact CG-CG1 4.01Å; P98-V204 HydrophobicContact CG-CG2 4.27Å; L165-V204 HydrophobicContact CD2-CG2 3.61Å; L169-V204 HydrophobicContact CD1-CG2 4.03Å; L169-V204 HydrophobicContact CG-CG2 4.24Å; Y200-V204 WeakPolarHBondContact O-CB 3.45Å; Y200-V204 WeakPolarHBondContact O-CG2 3Å; Y200-V204 PolarHBondContact O-N 3.37Å; R201-V204 PolarHBondContact O-N 3.12Å; R201-V204 VanDerWaalsContact O-N 3.17Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-V204 PolarHBondContact O-N 3.2Å; V204-S206 VanDerWaalsContact C-N 3.3Å |
| 205 | E | 90.8 | Very high | 75.9 | Confident | 77 Ų | 77 | 74.4 Ų | 74.4 | 36% | 0.36 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -74.2 | -22.3 | 178.3 | -69.3 | 173.5 | 166.7 | 0 | 0 | 112.9 | V84 R201 E202 R207 | V84-E205 HydrophobicContact CG1-CG 3.98Å; V84-E205 HydrophobicContact CG2-CG 4.46Å; R201-E205 IonicContact CZ-OE2 3.54Å; R201-E205 IonicContact NH1-OE1 3Å; R201-E205 PolarHBondContact NH1-OE1 3.17Å; R201-E205 IonicContact NH1-OE2 2.63Å; R201-E205 PolarHBondContact NH1-OE2 2.87Å; R201-E205 WeakPolarHBondContact O-CG 3.44Å; R201-E205 PolarHBondContact O-N 2.61Å; E202-E205 PolarHBondContact O-N 3.4Å; E205-R207 PolarHBondContact O-N 2.74Å |
| 206 | S | 86.2 | Confident | 73.1 | Confident | 49 Ų | 49 | 84.4 Ų | 84.4 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -57.7 | 136.5 | 179.4 | 73.9 | 0 | 0 | 0 | 0 | 110.6 | K168 E202 A203 V204 S208 | K168-S206 PolarHBondContact NZ-O 3.38Å; E202-S206 WeakPolarHBondContact O-CB 3.44Å; E202-S206 PolarHBondContact O-N 2.86Å; A203-S206 PolarHBondContact O-OG 3.07Å; V204-S206 VanDerWaalsContact C-N 3.3Å; S206-S208 PolarHBondContact O-N 3.11Å |
| 207 | R | 69.8 | Low | 71.9 | Confident | 229 Ų | 229 | 88.7 Ų | 88.7 | 86% | 0.864 | 44% | 0.436 | S | S | * | . | trans | -58.5 | 132.6 | 168.7 | -67.5 | -173.9 | -175.2 | -177.1 | 1.9 | 107.2 | E205 V209 | E205-R207 PolarHBondContact O-N 2.74Å; R207-V209 PolarHBondContact O-N 3.32Å | ||
| 208 | S | 59.6 | Low | 70.5 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 36% | 0.357 | 46% | 0.459 | S | S | . | . | trans | -60.4 | 114.5 | 166.5 | 37.1 | 0 | 0 | 0 | 0 | 105.5 | K168 S206 D210 | K168-S208 VanDerWaalsContact NZ-N 3.16Å; S206-S208 PolarHBondContact O-N 3.11Å; S208-D210 PolarHBondContact O-N 3.47Å | ||
| 209 | V | 53.8 | Low | 69 | Low | 106 Ų | 106 | 96.1 Ų | 96.1 | 64% | 0.642 | 47% | 0.473 | S | S | * | . | trans | -65.6 | 97.7 | 161.5 | -173.8 | 0 | 0 | 0 | 0 | 103.1 | R207 L211 | R207-V209 PolarHBondContact O-N 3.32Å; V209-L211 PolarHBondContact O-N 3.03Å | ||
| 210 | D | 45.6 | Very low | 67.3 | Low | 88 Ų | 88 | 97.2 Ų | 97.2 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | trans | -52.6 | 129.2 | 175.6 | -102.1 | -35.9 | 0 | 0 | 0 | 106.4 | S208 F212 D213 | S208-D210 PolarHBondContact O-N 3.47Å; D210-F212 HydrophobicContact CB-CB 4.41Å; D210-F212 HydrophobicContact CB-CD2 4.37Å; D210-F212 PolarHBondContact O-N 3.37Å; D210-D213 PolarHBondContact O-N 3.06Å | ||
| 211 | L | 44.9 | Very low | 65.4 | Low | 147 Ų | 147 | 103.2 Ų | 103.2 | 77% | 0.77 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -55.9 | -15 | 175.5 | -84.1 | 155.4 | 0 | 0 | 0 | 111.7 | V209 K214 | V209-L211 PolarHBondContact O-N 3.03Å; L211-K214 PolarHBondContact O-N 3.36Å |
| 212 | F | 47.8 | Very low | 63.4 | Low | 160 Ų | 160 | 106.7 Ų | 106.7 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -73.6 | -22.4 | 172.6 | -60.4 | -73.7 | 0 | 0 | 0 | 114.6 | D210 K214 A215 | D210-F212 HydrophobicContact CB-CB 4.41Å; D210-F212 HydrophobicContact CB-CD2 4.37Å; D210-F212 PolarHBondContact O-N 3.37Å; F212-K214 PolarHBondContact O-N 2.71Å; F212-A215 PolarHBondContact O-N 3.37Å |
| 213 | D | 45.3 | Very low | 61.1 | Low | 114 Ų | 114 | 109.3 Ų | 109.3 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -75.6 | -14.9 | 173.6 | -77.3 | -22.6 | 0 | 0 | 0 | 112.4 | D210 | D210-D213 PolarHBondContact O-N 3.06Š|
| 214 | K | 40.2 | Very low | 58.7 | Low | 170 Ų | 170 | 116.9 Ų | 116.9 | 74% | 0.739 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -90 | -0.5 | 170.8 | -72.7 | -168.9 | 175.7 | -173.7 | 0 | 113.8 | L211 F212 | L211-K214 PolarHBondContact O-N 3.36Å; F212-K214 PolarHBondContact O-N 2.71Å |
| 215 | A | 44.6 | Very low | 55.8 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | trans | -103.5 | 6.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F212 | F212-A215 PolarHBondContact O-N 3.37Š| ||
| 216 | K | 41.7 | Very low | 52.7 | Low | 245 Ų | 245 | 131.1 Ų | 131.1 | 100% | 1.065 | 66% | 0.659 | S | S | * | * | trans | -109.5 | 0 | 164.6 | -76.6 | -176.7 | 177.3 | 176.6 | 0 | 109.5 |
Retrieved 216 of 216 residues in 50.8 ms
(Link to these results)