| 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 | 35.8 | Very low | 45.7 | Very low | 243 Ų | 243 | 125.4 Ų | 125.4 | 100% | 1.197 | 67% | 0.673 | S | S | * | * | 0 | 80.9 | 0 | -69.4 | 156.5 | 100.6 | 0 | 0 | 108.3 | |||||
| 2 | T | 38.8 | Very low | 46.6 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | trans | -147.6 | -9.6 | -178.9 | 45 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | S | 43 | Very low | 47.4 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.7 | -26.5 | -170 | -178.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 4 | C | 39.8 | Very low | 48.1 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.5 | -35.6 | -179.7 | -117.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 5 | G | 37.3 | Very low | 48.6 | Very low | 42 Ų | 42 | 116.5 Ų | 116.5 | 43% | 0.433 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.9 | -26 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R9 | G5-R9 WeakPolarHBondContact O-CB 3.38Å; G5-R9 WeakPolarHBondContact O-CG 3.41Å; G5-R9 PolarHBondContact O-N 3.26Å |
| 6 | Q | 46 | Very low | 49 | Very low | 124 Ų | 124 | 114.4 Ų | 114.4 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.8 | -38.6 | 177.6 | -152.1 | 96.8 | -5.7 | 0 | 0 | 111.5 | N10 | Q6-N10 VanDerWaalsContact O-CG 3.26Å; Q6-N10 PolarHBondContact O-N 3.25Å; Q6-N10 VanDerWaalsContact O-N 3.13Å; Q6-N10 PolarHBondContact O-ND2 2.88Å |
| 7 | R | 45.7 | Very low | 49.3 | Very low | 185 Ų | 185 | 115.7 Ų | 115.7 | 70% | 0.698 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72 | -39.5 | -177.4 | -167.2 | 175.5 | -179.2 | -177.5 | 0 | 112.4 | N10 V11 | R7-N10 PolarHBondContact O-N 3.03Å; R7-V11 WeakPolarHBondContact O-CG2 3.16Å; R7-V11 PolarHBondContact O-N 2.86Å |
| 8 | S | 50.7 | Low | 49.5 | Very low | 71 Ų | 71 | 115.8 Ų | 115.8 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.8 | -35.9 | 176.2 | 80.5 | 0 | 0 | 0 | 0 | 112.2 | N10 V11 L12 | S8-N10 VanDerWaalsContact C-N 3.33Å; S8-N10 PolarHBondContact O-N 3.07Å; S8-V11 PolarHBondContact O-N 3.39Å; S8-L12 PolarHBondContact O-N 3.16Å |
| 9 | R | 52.8 | Low | 49.7 | Very low | 193 Ų | 193 | 115.5 Ų | 115.5 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.9 | -40.9 | 171.9 | -85.7 | -179.2 | 159.9 | 177 | -5.3 | 112.4 | G5 L12 A13 | G5-R9 WeakPolarHBondContact O-CB 3.38Å; G5-R9 WeakPolarHBondContact O-CG 3.41Å; G5-R9 PolarHBondContact O-N 3.26Å; R9-L12 PolarHBondContact O-N 3.24Å; R9-A13 VanDerWaalsContact O-CB 3.25Å; R9-A13 WeakPolarHBondContact O-CB 3.4Å; R9-A13 PolarHBondContact O-N 3.44Å |
| 10 | N | 56.8 | Low | 49.7 | Very low | 99 Ų | 99 | 114.5 Ų | 114.5 | 53% | 0.529 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.6 | -36.5 | 177.8 | -71.2 | -16.9 | 0 | 0 | 0 | 112.6 | Q6 R7 S8 A13 V14 | Q6-N10 VanDerWaalsContact O-CG 3.26Å; Q6-N10 PolarHBondContact O-N 3.25Å; Q6-N10 VanDerWaalsContact O-N 3.13Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; R7-N10 PolarHBondContact O-N 3.03Å; S8-N10 VanDerWaalsContact C-N 3.33Å; S8-N10 PolarHBondContact O-N 3.07Å; N10-A13 PolarHBondContact O-N 3.1Å; N10-V14 VanDerWaalsContact O-CG2 3.25Å; N10-V14 WeakPolarHBondContact O-CG2 3.29Å; N10-V14 PolarHBondContact O-N 3.5Å |
| 11 | V | 56.3 | Low | 49.5 | Very low | 81 Ų | 81 | 113 Ų | 113 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.3 | -42 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | R7 S8 A13 V14 F15 | R7-V11 WeakPolarHBondContact O-CG2 3.16Å; R7-V11 PolarHBondContact O-N 2.86Å; S8-V11 PolarHBondContact O-N 3.39Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.05Å; V11-V14 PolarHBondContact O-N 3.39Å; V11-F15 HydrophobicContact CG1-CD2 4.24Å; V11-F15 PolarHBondContact O-N 3.2Å |
| 12 | L | 55.8 | Low | 50 | Low | 123 Ų | 123 | 106.7 Ų | 106.7 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.6 | -39.4 | 174.4 | -122.4 | 105.7 | 0 | 0 | 0 | 111.6 | S8 R9 F15 S16 | S8-L12 PolarHBondContact O-N 3.16Å; R9-L12 PolarHBondContact O-N 3.24Å; L12-F15 PolarHBondContact O-N 3.03Å; L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-OG 3.4Å |
| 13 | A | 57.3 | Low | 50.4 | Low | 43 Ų | 43 | 105.6 Ų | 105.6 | 36% | 0.355 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.5 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R9 N10 V11 S16 L17 | R9-A13 VanDerWaalsContact O-CB 3.25Å; R9-A13 WeakPolarHBondContact O-CB 3.4Å; R9-A13 PolarHBondContact O-N 3.44Å; N10-A13 PolarHBondContact O-N 3.1Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.05Å; A13-S16 PolarHBondContact O-N 3Å; A13-L17 WeakPolarHBondContact O-CB 3.33Å; A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.47Å |
| 14 | V | 57.6 | Low | 50.6 | Low | 84 Ų | 84 | 104.6 Ų | 104.6 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | N10 V11 L17 L18 | N10-V14 VanDerWaalsContact O-CG2 3.25Å; N10-V14 WeakPolarHBondContact O-CG2 3.29Å; N10-V14 PolarHBondContact O-N 3.5Å; V11-V14 PolarHBondContact O-N 3.39Å; V14-L17 PolarHBondContact O-N 3.4Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.28Å |
| 15 | F | 55.3 | Low | 51.1 | Low | 119 Ų | 119 | 101.9 Ų | 101.9 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61 | -48.9 | 172.8 | -100.5 | -86.8 | 0 | 0 | 0 | 111.1 | V11 L12 L17 L18 F19 | V11-F15 HydrophobicContact CG1-CD2 4.24Å; V11-F15 PolarHBondContact O-N 3.2Å; L12-F15 PolarHBondContact O-N 3.03Å; F15-L17 PolarHBondContact O-N 3.14Å; F15-L18 PolarHBondContact O-N 3.42Å; F15-L18 VanDerWaalsContact O-N 3.09Å; F15-F19 HydrophobicContact CB-CE2 4.21Å; F15-F19 AromaticContact CD1-CE2 3.83Å; F15-F19 HydrophobicContact CD1-CE2 3.83Å; F15-F19 AromaticContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CE1-CZ 4.49Å; F15-F19 WeakPolarHBondContact O-CD2 3.3Å; F15-F19 WeakPolarHBondContact O-CE2 3.43Å |
| 16 | S | 55.7 | Low | 52 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 57% | 0.573 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.1 | -30.7 | 176.8 | -71.7 | 0 | 0 | 0 | 0 | 114 | L12 A13 | L12-S16 WeakPolarHBondContact O-CB 3.46Å; L12-S16 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-OG 3.4Å; A13-S16 PolarHBondContact O-N 3Å |
| 17 | L | 54.1 | Low | 52.7 | Low | 137 Ų | 137 | 101.4 Ų | 101.4 | 72% | 0.717 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78.7 | -18.4 | 178.1 | -72.8 | 168.1 | 0 | 0 | 0 | 113.8 | A13 V14 F15 P20 | A13-L17 WeakPolarHBondContact O-CB 3.33Å; A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.47Å; V14-L17 PolarHBondContact O-N 3.4Å; F15-L17 PolarHBondContact O-N 3.14Å; L17-P20 WeakPolarHBondContact O-CD 3.38Å |
| 18 | L | 53.1 | Low | 53.9 | Low | 117 Ų | 117 | 98.7 Ų | 98.7 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -85.4 | -12 | -179.4 | -73.4 | 165.8 | 0 | 0 | 0 | 113.7 | V14 F15 | V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.41Å; V14-L18 PolarHBondContact O-N 3.28Å; F15-L18 PolarHBondContact O-N 3.42Å; F15-L18 VanDerWaalsContact O-N 3.09Å |
| 19 | F | 52.3 | Low | 55.3 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -88.5 | -21.3 | -172.2 | -69.8 | -67.7 | 0 | 0 | 0 | 118.5 | F15 A21 | F15-F19 HydrophobicContact CB-CE2 4.21Å; F15-F19 AromaticContact CD1-CE2 3.83Å; F15-F19 HydrophobicContact CD1-CE2 3.83Å; F15-F19 AromaticContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CD1-CZ 3.88Å; F15-F19 HydrophobicContact CE1-CZ 4.49Å; F15-F19 WeakPolarHBondContact O-CD2 3.3Å; F15-F19 WeakPolarHBondContact O-CE2 3.43Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 3.49Å |
| 20 | P | 50.6 | Low | 56.7 | Low | 94 Ų | 94 | 88.6 Ų | 88.6 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -79.8 | -9.3 | -177.1 | 31 | -33.2 | 0 | 0 | 0 | 114 | L17 V22 | L17-P20 WeakPolarHBondContact O-CD 3.38Å; P20-V22 VanDerWaalsContact C-N 3.35Å; P20-V22 PolarHBondContact O-N 2.96Å |
| 21 | A | 45.9 | Very low | 57.9 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 69% | 0.686 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -75.2 | -17.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F19 | F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A21 PolarHBondContact O-N 3.49Å |
| 22 | V | 46.3 | Very low | 59.2 | Low | 112 Ų | 112 | 89.4 Ų | 89.4 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -87.8 | -20.5 | -172.2 | 179.1 | 0 | 0 | 0 | 0 | 113 | P20 S24 | P20-V22 VanDerWaalsContact C-N 3.35Å; P20-V22 PolarHBondContact O-N 2.96Å; V22-S24 VanDerWaalsContact C-N 3.31Å; V22-S24 PolarHBondContact O-N 2.86Å |
| 23 | L | 47.3 | Very low | 60.4 | Low | 99 Ų | 99 | 84.8 Ų | 84.8 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -74.9 | -14.6 | -175.8 | -81.2 | 140.9 | 0 | 0 | 0 | 114.4 | A25 | L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3Å |
| 24 | S | 46.5 | Very low | 61.6 | Low | 78 Ų | 78 | 87 Ų | 87 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -77.6 | -15.2 | -176.4 | -173.3 | 0 | 0 | 0 | 0 | 114.2 | V22 | V22-S24 VanDerWaalsContact C-N 3.31Å; V22-S24 PolarHBondContact O-N 2.86Å |
| 25 | A | 50.6 | Low | 62.8 | Low | 63 Ų | 63 | 83.5 Ų | 83.5 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -78.6 | -20.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L23 F27 R28 | L23-A25 VanDerWaalsContact C-N 3.34Å; L23-A25 PolarHBondContact O-N 3Å; A25-F27 PolarHBondContact O-N 2.94Å; A25-R28 PolarHBondContact O-N 3.21Å |
| 26 | H | 55.5 | Low | 64.1 | Low | 94 Ų | 94 | 84.1 Ų | 84.1 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -70.2 | -26.5 | -169.9 | -78.1 | -75.8 | 0 | 0 | 0 | 114.5 | N94 | H26-N94 PolarHBondContact NE2-ND2 2.87Š|
| 27 | F | 61.4 | Low | 65.4 | Low | 61 Ų | 61 | 87 Ų | 87 | 27% | 0.268 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -88.5 | -8.5 | -177.7 | -65.7 | -79 | 0 | 0 | 0 | 114.2 | A25 V29 L57 C58 F75 Y90 | A25-F27 PolarHBondContact O-N 2.94Å; F27-V29 VanDerWaalsContact C-N 3.34Å; F27-L57 HydrophobicContact CB-CD2 3.71Å; F27-L57 WeakPolarHBondContact O-CA 3.31Å; F27-C58 PolarHBondContact O-N 3.32Å; F27-F75 HydrophobicContact CD1-CE2 4.37Å; F27-F75 AromaticContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CE1-CZ 4.34Å; F27-Y90 HydrophobicContact CE1-CE1 4.41Å; F27-Y90 HydrophobicContact CE1-CE2 4.48Å; F27-Y90 AromaticContact CE1-CZ 3.8Å; F27-Y90 WeakPolarHBondContact CE1-OH 3.43Å; F27-Y90 AromaticContact CE2-CE1 3.46Å; F27-Y90 HydrophobicContact CE2-CE1 3.46Å; F27-Y90 VanDerWaalsContact CE2-CE1 3.46Å; F27-Y90 AromaticContact CE2-CZ 3.55Å; F27-Y90 WeakPolarHBondContact CE2-OH 3.39Å; F27-Y90 HydrophobicContact CZ-CD1 4.47Å; F27-Y90 AromaticContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE2 4.12Å; F27-Y90 AromaticContact CZ-CZ 3.17Å; F27-Y90 WeakPolarHBondContact CZ-OH 3.08Å |
| 28 | R | 70.8 | Confident | 66.8 | Low | 128 Ų | 128 | 83.5 Ų | 83.5 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -89.5 | -3.4 | 178 | -53.5 | -158.3 | -177.7 | 179.9 | 0.5 | 113.3 | A25 C46 V56 | A25-R28 PolarHBondContact O-N 3.21Å; R28-C46 PolarHBondContact O-N 2.94Å; R28-V56 WeakPolarHBondContact CA-O 3.44Å; R28-V56 WeakPolarHBondContact CG-O 3.23Å |
| 29 | V | 79.3 | Confident | 68.3 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 31% | 0.309 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.3 | -177.4 | -165.4 | 0 | 0 | 0 | 0 | 108.9 | F27 H45 | F27-V29 VanDerWaalsContact C-N 3.34Å; V29-H45 WeakPolarHBondContact CG2-CE1 3.35Å; V29-H45 WeakPolarHBondContact CG2-ND1 3.29Å |
| 30 | C | 82.9 | Confident | 69.9 | Low | 1 Ų | 1 | 87.1 Ų | 87.1 | 1% | 0.007 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.4 | 167.8 | -69 | 0 | 0 | 0 | 0 | 109.1 | G43 F44 C58 K67 | C30-G43 CarbonylContact O-C 3.53Å; C30-G43 WeakPolarHBondContact O-CA 3.33Å; C30-F44 HydrophobicContact CB-CD1 4.05Å; C30-F44 HydrophobicContact CB-CD2 4.07Å; C30-F44 HydrophobicContact CB-CE1 3.78Å; C30-F44 HydrophobicContact CB-CE2 3.8Å; C30-F44 HydrophobicContact CB-CG 4.2Å; C30-F44 HydrophobicContact CB-CZ 3.65Å; C30-F44 PolarHBondContact N-O 3.43Å; C30-F44 PolarHBondContact O-N 2.82Å; C30-F44 WeakPolarHBondContact SG-CE2 3.2Å; C30-F44 WeakPolarHBondContact SG-CZ 3.37Å; C30-C58 WeakPolarHBondContact CA-SG 3.23Å; C30-C58 HydrophobicContact CB-CB 4.13Å; C30-C58 WeakPolarHBondContact CB-SG 3.36Å; C30-C58 WeakPolarHBondContact SG-CB 3.36Å; C30-C58 CovalentContact SG-SG 2.03Å; C30-C58 PolarHBondContact SG-SG 2.91Å; C30-K67 HydrophobicContact CB-CB 4.35Å; C30-K67 HydrophobicContact CB-CD 4.29Å |
| 31 | E | 81.4 | Confident | 71.5 | Confident | 132 Ų | 132 | 85.4 Ų | 85.4 | 62% | 0.617 | 45% | 0.454 | S | S | * | . | trans | -63.5 | 150.2 | 174.9 | -66 | 176.7 | 144.5 | 0 | 0 | 112 | K67 | E31-K67 PolarHBondContact O-NZ 2.88Š| ||
| 32 | P | 84.3 | Confident | 73.4 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 43% | 0.429 | 46% | 0.456 | S | S | . | . | trans | -55.6 | 149.2 | 175.2 | 22.9 | -32.1 | 0 | 0 | 0 | 112 | Y40 H41 | P32-Y40 HydrophobicContact CB-CE2 4.1Å; P32-Y40 VanDerWaalsContact CB-OH 3.23Å; P32-Y40 WeakPolarHBondContact CB-OH 3.41Å; P32-H41 VanDerWaalsContact CA-O 3.26Å; P32-H41 WeakPolarHBondContact CA-O 3.41Å; P32-H41 WeakPolarHBondContact CB-O 3.07Å | ||
| 33 | Y | 80.3 | Confident | 75.2 | Confident | 26 Ų | 26 | 85.9 Ų | 85.9 | 10% | 0.102 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 156.1 | -178.1 | 63.1 | -89.6 | 0 | 0 | 0 | 111.8 | H41 V65 F66 K67 | Y33-H41 HydrophobicContact CD1-CB 4.09Å; Y33-H41 HydrophobicContact CD2-CB 4.03Å; Y33-H41 HydrophobicContact CE1-CB 3.81Å; Y33-H41 HydrophobicContact CE2-CB 3.76Å; Y33-H41 AromaticContact CE2-CD2 3.58Å; Y33-H41 AromaticContact CE2-CG 3.66Å; Y33-H41 HydrophobicContact CG-CB 4.22Å; Y33-H41 AromaticContact CZ-CG 3.79Å; Y33-H41 PolarHBondContact N-O 3.28Å; Y33-H41 PolarHBondContact O-N 3.37Å; Y33-V65 HydrophobicContact CD2-CG1 3.77Å; Y33-V65 VanDerWaalsContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CE2-O 3.5Å; Y33-V65 HydrophobicContact CG-CG1 4.4Å; Y33-F66 HydrophobicContact CE2-CD1 4.28Å; Y33-K67 HydrophobicContact CD1-CB 4.26Å; Y33-K67 HydrophobicContact CD1-CD 3.71Å; Y33-K67 HydrophobicContact CD1-CG 3.81Å; Y33-K67 HydrophobicContact CE1-CB 3.82Å; Y33-K67 HydrophobicContact CE1-CD 4.15Å; Y33-K67 HydrophobicContact CE1-CG 3.85Å; Y33-K67 HydrophobicContact CG-CD 4.45Å; Y33-K67 HydrophobicContact CG-CG 4.48Å; Y33-K67 PolarHBondContact OH-N 2.79Å |
| 34 | T | 82.4 | Confident | 77.1 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.9 | 172.3 | 50 | 0 | 0 | 0 | 0 | 109.4 | R39 Y40 V65 | T34-R39 CarbonylContact C-O 3.39Å; T34-R39 VanDerWaalsContact CA-O 3.32Å; T34-R39 WeakPolarHBondContact CA-O 3.22Å; T34-Y40 HydrophobicContact CG2-CD2 3.95Å; T34-V65 WeakPolarHBondContact O-CG1 3.43Å |
| 35 | D | 82.1 | Confident | 78.9 | Confident | 11 Ų | 11 | 85.1 Ų | 85.1 | 6% | 0.059 | 43% | 0.426 | C | S | . | . | trans | -66.7 | 165.1 | 177.8 | -167.8 | 25.8 | 0 | 0 | 0 | 111.8 | K37 G38 R39 F66 | D35-K37 PolarHBondContact O-N 3.35Å; D35-G38 WeakPolarHBondContact O-CA 3.31Å; D35-G38 PolarHBondContact O-N 2.86Å; D35-R39 HydrophobicContact CB-CB 4.49Å; D35-R39 PolarHBondContact N-O 3.23Å; D35-F66 VanDerWaalsContact OD2-CZ 3.31Å; D35-F66 WeakPolarHBondContact OD2-CZ 3.4Å | ||
| 36 | H | 82.4 | Confident | 80.5 | Confident | 133 Ų | 133 | 82.6 Ų | 82.6 | 62% | 0.616 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -19.9 | 176.5 | 59.6 | -76.7 | 0 | 0 | 0 | 113.7 | G38 | H36-G38 VanDerWaalsContact C-N 3.32Š|
| 37 | K | 84.1 | Confident | 81.8 | Confident | 142 Ų | 142 | 81 Ų | 81 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 9 | 173.9 | -62.2 | 177.9 | -177.6 | 173 | 0 | 113.7 | D35 R39 | D35-K37 PolarHBondContact O-N 3.35Å; K37-R39 HydrophobicContact CB-CG 4.47Å; K37-R39 PolarHBondContact O-N 2.72Å |
| 38 | G | 82.8 | Confident | 82.7 | Confident | 64 Ų | 64 | 84 Ų | 84 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 71.8 | 12.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D35 H36 | D35-G38 WeakPolarHBondContact O-CA 3.31Å; D35-G38 PolarHBondContact O-N 2.86Å; H36-G38 VanDerWaalsContact C-N 3.32Å |
| 39 | R | 86.1 | Confident | 83.2 | Confident | 167 Ų | 167 | 87 Ų | 87 | 63% | 0.63 | 44% | 0.437 | S | S | * | . | trans | -83 | 129 | 178.8 | -67 | -175.8 | -177.4 | 175.5 | -0.8 | 110.1 | T34 D35 K37 H41 | T34-R39 CarbonylContact C-O 3.39Å; T34-R39 VanDerWaalsContact CA-O 3.32Å; T34-R39 WeakPolarHBondContact CA-O 3.22Å; D35-R39 HydrophobicContact CB-CB 4.49Å; D35-R39 PolarHBondContact N-O 3.23Å; K37-R39 HydrophobicContact CB-CG 4.47Å; K37-R39 PolarHBondContact O-N 2.72Å; R39-H41 PolarHBondContact O-CD2 3.42Å | ||
| 40 | Y | 84.4 | Confident | 83.2 | Confident | 136 Ų | 136 | 90.2 Ų | 90.2 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129 | 177.7 | -175.5 | -96.8 | 0 | 0 | 0 | 111.1 | P32 T34 F42 | P32-Y40 HydrophobicContact CB-CE2 4.1Å; P32-Y40 VanDerWaalsContact CB-OH 3.23Å; P32-Y40 WeakPolarHBondContact CB-OH 3.41Å; T34-Y40 HydrophobicContact CG2-CD2 3.95Å; Y40-F42 HydrophobicContact CD1-CD1 4.41Å; Y40-F42 HydrophobicContact CD1-CE1 4.33Å; Y40-F42 AromaticContact CE1-CD1 3.8Å; Y40-F42 HydrophobicContact CE1-CD1 3.8Å; Y40-F42 AromaticContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CG 4.41Å |
| 41 | H | 85.1 | Confident | 83.1 | Confident | 59 Ų | 59 | 92.9 Ų | 92.9 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.8 | 174.9 | -68.1 | -93.1 | 0 | 0 | 0 | 109.7 | P32 Y33 R39 | P32-H41 VanDerWaalsContact CA-O 3.26Å; P32-H41 WeakPolarHBondContact CA-O 3.41Å; P32-H41 WeakPolarHBondContact CB-O 3.07Å; Y33-H41 HydrophobicContact CD1-CB 4.09Å; Y33-H41 HydrophobicContact CD2-CB 4.03Å; Y33-H41 HydrophobicContact CE1-CB 3.81Å; Y33-H41 HydrophobicContact CE2-CB 3.76Å; Y33-H41 AromaticContact CE2-CD2 3.58Å; Y33-H41 AromaticContact CE2-CG 3.66Å; Y33-H41 HydrophobicContact CG-CB 4.22Å; Y33-H41 AromaticContact CZ-CG 3.79Å; Y33-H41 PolarHBondContact N-O 3.28Å; Y33-H41 PolarHBondContact O-N 3.37Å; R39-H41 PolarHBondContact O-CD2 3.42Å |
| 42 | F | 85.1 | Confident | 83.2 | Confident | 167 Ų | 167 | 91.5 Ų | 91.5 | 73% | 0.732 | 47% | 0.473 | S | S | * | . | trans | -66.8 | 149.2 | 177.3 | -58.2 | -79.7 | 0 | 0 | 0 | 111.6 | Y40 | Y40-F42 HydrophobicContact CD1-CD1 4.41Å; Y40-F42 HydrophobicContact CD1-CE1 4.33Å; Y40-F42 AromaticContact CE1-CD1 3.8Å; Y40-F42 HydrophobicContact CE1-CD1 3.8Å; Y40-F42 AromaticContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CE1 3.95Å; Y40-F42 HydrophobicContact CE1-CG 4.41Å | ||
| 43 | G | 84.8 | Confident | 83.1 | Confident | 38 Ų | 38 | 97 Ų | 97 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | trans | -69 | 152.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | C30 | C30-G43 CarbonylContact O-C 3.53Å; C30-G43 WeakPolarHBondContact O-CA 3.33Å | ||
| 44 | F | 86.4 | Confident | 83 | Confident | 28 Ų | 28 | 99 Ų | 99 | 12% | 0.123 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 155.5 | -178.3 | 58.4 | -90.3 | 0 | 0 | 0 | 112 | C30 R48 K67 | C30-F44 HydrophobicContact CB-CD1 4.05Å; C30-F44 HydrophobicContact CB-CD2 4.07Å; C30-F44 HydrophobicContact CB-CE1 3.78Å; C30-F44 HydrophobicContact CB-CE2 3.8Å; C30-F44 HydrophobicContact CB-CG 4.2Å; C30-F44 HydrophobicContact CB-CZ 3.65Å; C30-F44 PolarHBondContact N-O 3.43Å; C30-F44 PolarHBondContact O-N 2.82Å; C30-F44 WeakPolarHBondContact SG-CE2 3.2Å; C30-F44 WeakPolarHBondContact SG-CZ 3.37Å; F44-R48 VanDerWaalsContact CD2-NH2 3.33Å; F44-K67 HydrophobicContact CZ-CB 4.38Å; F44-K67 WeakPolarHBondContact CZ-O 3.48Å |
| 45 | H | 85.6 | Confident | 83 | Confident | 132 Ų | 132 | 97.4 Ų | 97.4 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 145 | 176.9 | -71.3 | -91.2 | 0 | 0 | 0 | 111.5 | V29 | V29-H45 WeakPolarHBondContact CG2-CE1 3.35Å; V29-H45 WeakPolarHBondContact CG2-ND1 3.29Å |
| 46 | C | 83.6 | Confident | 83.1 | Confident | 11 Ų | 11 | 98.8 Ų | 98.8 | 7% | 0.074 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -104.4 | 141.5 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | R28 F55 C69 | R28-C46 PolarHBondContact O-N 2.94Å; C46-F55 WeakPolarHBondContact CB-O 3.35Å; C46-C69 VanDerWaalsContact CA-SG 3.52Å; C46-C69 HydrophobicContact CB-CB 3.83Å; C46-C69 WeakPolarHBondContact CB-SG 3.42Å; C46-C69 WeakPolarHBondContact SG-CA 3.22Å; C46-C69 WeakPolarHBondContact SG-CB 3.35Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 2.83Å |
| 47 | P | 82.3 | Confident | 83.1 | Confident | 60 Ų | 60 | 93.6 Ų | 93.6 | 39% | 0.39 | 48% | 0.476 | S | S | . | . | S | Bend | cis | -80.6 | 147.2 | -1.9 | 31.7 | -32.1 | 0 | 0 | 0 | 112 | D51 F55 | P47-D51 HydrophobicContact CB-CB 4.23Å; P47-F55 WeakPolarHBondContact CA-O 3.41Å; P47-F55 WeakPolarHBondContact CB-O 3.47Å |
| 48 | R | 81 | Confident | 83 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | trans | -73.2 | 163.1 | 168.4 | -60.4 | -177.5 | 173.5 | -177.1 | 0.8 | 110.1 | F44 S50 D51 | F44-R48 VanDerWaalsContact CD2-NH2 3.33Å; R48-S50 PolarHBondContact O-N 3.18Å; R48-S50 VanDerWaalsContact O-N 3.11Å; R48-D51 HydrophobicContact CB-CB 4.44Å; R48-D51 WeakPolarHBondContact CB-OD2 3.4Å; R48-D51 WeakPolarHBondContact CG-OD2 3.43Å; R48-D51 PolarHBondContact N-OD2 3.43Å; R48-D51 VanDerWaalsContact N-OD2 3.12Å; R48-D51 PolarHBondContact O-N 2.81Å | ||
| 49 | L | 80.3 | Confident | 83 | Confident | 189 Ų | 189 | 84.9 Ų | 84.9 | 99% | 0.99 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.6 | 178.3 | -160.6 | 70.8 | 0 | 0 | 0 | 113 | ||
| 50 | S | 79.3 | Confident | 82.9 | Confident | 119 Ų | 119 | 80.4 Ų | 80.4 | 83% | 0.832 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -14.3 | 176.5 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | R48 | R48-S50 PolarHBondContact O-N 3.18Å; R48-S50 VanDerWaalsContact O-N 3.11Å |
| 51 | D | 81.1 | Confident | 82.6 | Confident | 58 Ų | 58 | 78.7 Ų | 78.7 | 31% | 0.31 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -90.7 | 155.2 | -175.8 | -62 | -29.6 | 0 | 0 | 0 | 110.5 | P47 R48 F55 | P47-D51 HydrophobicContact CB-CB 4.23Å; R48-D51 HydrophobicContact CB-CB 4.44Å; R48-D51 WeakPolarHBondContact CB-OD2 3.4Å; R48-D51 WeakPolarHBondContact CG-OD2 3.43Å; R48-D51 PolarHBondContact N-OD2 3.43Å; R48-D51 VanDerWaalsContact N-OD2 3.12Å; R48-D51 PolarHBondContact O-N 2.81Å; D51-F55 HydrophobicContact CB-CB 4.23Å |
| 52 | N | 82.8 | Confident | 81.8 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | trans | -70.2 | 150.3 | 173.4 | -168.5 | -16.3 | 0 | 0 | 0 | 110.1 | T54 F55 | N52-T54 PolarHBondContact O-N 3.12Å; N52-F55 HydrophobicContact CB-CD2 3.73Å; N52-F55 HydrophobicContact CB-CE2 3.93Å; N52-F55 WeakPolarHBondContact O-CB 3.33Å; N52-F55 PolarHBondContact O-N 2.93Å | ||
| 53 | K | 82.6 | Confident | 80.6 | Confident | 182 Ų | 182 | 80.3 Ų | 80.3 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -21.4 | -177.5 | -69.1 | 174 | -176.3 | 160.2 | 0 | 113.9 | F55 V56 | K53-F55 VanDerWaalsContact C-N 3.29Å; K53-V56 WeakPolarHBondContact O-CG1 3.25Å |
| 54 | T | 79.5 | Confident | 79.8 | Confident | 66 Ų | 66 | 81.2 Ų | 81.2 | 41% | 0.405 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.8 | 178.1 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | N52 V56 N71 | N52-T54 PolarHBondContact O-N 3.12Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.1Å; T54-V56 VanDerWaalsContact O-N 3.1Å; T54-N71 PolarHBondContact O-OD1 3.08Å |
| 55 | F | 82.7 | Confident | 79 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | trans | -91.2 | 67.9 | -174.8 | -72.3 | -115 | 0 | 0 | 0 | 110.3 | C46 P47 D51 N52 K53 C69 C70 | C46-F55 WeakPolarHBondContact CB-O 3.35Å; P47-F55 WeakPolarHBondContact CA-O 3.41Å; P47-F55 WeakPolarHBondContact CB-O 3.47Å; D51-F55 HydrophobicContact CB-CB 4.23Å; N52-F55 HydrophobicContact CB-CD2 3.73Å; N52-F55 HydrophobicContact CB-CE2 3.93Å; N52-F55 WeakPolarHBondContact O-CB 3.33Å; N52-F55 PolarHBondContact O-N 2.93Å; K53-F55 VanDerWaalsContact C-N 3.29Å; F55-C69 HydrophobicContact CB-CB 4.15Å; F55-C69 WeakPolarHBondContact CD1-O 3.44Å; F55-C70 CarbonylContact C-O 3.52Å; F55-C70 WeakPolarHBondContact CA-O 3.36Å | ||
| 56 | V | 83.6 | Confident | 78.7 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 24% | 0.242 | 42% | 0.421 | C | S | . | . | trans | -97.2 | -4.1 | -172.2 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | R28 K53 T54 C70 | R28-V56 WeakPolarHBondContact CA-O 3.44Å; R28-V56 WeakPolarHBondContact CG-O 3.23Å; K53-V56 WeakPolarHBondContact O-CG1 3.25Å; T54-V56 VanDerWaalsContact C-N 3.33Å; T54-V56 PolarHBondContact O-N 3.1Å; T54-V56 VanDerWaalsContact O-N 3.1Å; V56-C70 PolarHBondContact N-O 3.47Å | ||
| 57 | L | 81.3 | Confident | 78.8 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 13% | 0.126 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.9 | -173.1 | -66.9 | 160.2 | 0 | 0 | 0 | 111.7 | F27 C69 C70 E72 F75 | F27-L57 HydrophobicContact CB-CD2 3.71Å; F27-L57 WeakPolarHBondContact O-CA 3.31Å; L57-C69 CarbonylContact O-C 3.53Å; L57-C69 VanDerWaalsContact O-CA 3.31Å; L57-C69 WeakPolarHBondContact O-CA 3.04Å; L57-C70 PolarHBondContact N-O 3.04Å; L57-C70 PolarHBondContact O-N 3.48Å; L57-C70 PolarHBondContact O-SG 3.31Å; L57-E72 HydrophobicContact CD1-CB 3.91Å; L57-E72 HydrophobicContact CD1-CG 4.12Å; L57-F75 HydrophobicContact CB-CB 4.38Å; L57-F75 HydrophobicContact CB-CD2 4.03Å; L57-F75 HydrophobicContact CB-CG 4.32Å; L57-F75 HydrophobicContact CD1-CB 3.83Å; L57-F75 HydrophobicContact CD1-CD1 4.37Å; L57-F75 HydrophobicContact CD1-CG 4Å |
| 58 | C | 83.6 | Confident | 78.9 | Confident | 22 Ų | 22 | 83.7 Ų | 83.7 | 15% | 0.149 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117.4 | 172.9 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | F27 C30 F75 | F27-C58 PolarHBondContact O-N 3.32Å; C30-C58 WeakPolarHBondContact CA-SG 3.23Å; C30-C58 HydrophobicContact CB-CB 4.13Å; C30-C58 WeakPolarHBondContact CB-SG 3.36Å; C30-C58 WeakPolarHBondContact SG-CB 3.36Å; C30-C58 CovalentContact SG-SG 2.03Å; C30-C58 PolarHBondContact SG-SG 2.91Å; C58-F75 WeakPolarHBondContact O-CE2 2.99Å |
| 59 | C | 82.6 | Confident | 79.1 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.007 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 152.7 | 172.5 | -78.9 | 0 | 0 | 0 | 0 | 111.6 | K67 Y68 C70 F75 | C59-K67 CarbonylContact O-C 3.58Å; C59-K67 VanDerWaalsContact O-CA 3.25Å; C59-K67 WeakPolarHBondContact O-CA 3.34Å; C59-Y68 HydrophobicContact CB-CD1 4.43Å; C59-Y68 HydrophobicContact CB-CD2 4.39Å; C59-Y68 HydrophobicContact CB-CE1 4Å; C59-Y68 HydrophobicContact CB-CE2 3.95Å; C59-Y68 PolarHBondContact N-O 2.89Å; C59-Y68 PolarHBondContact O-N 3.29Å; C59-C70 HydrophobicContact CB-CB 3.66Å; C59-C70 WeakPolarHBondContact CB-SG 3.2Å; C59-C70 WeakPolarHBondContact SG-CB 3.43Å; C59-C70 CovalentContact SG-SG 2.01Å; C59-C70 PolarHBondContact SG-SG 3.29Å; C59-F75 WeakPolarHBondContact SG-CA 3.26Å |
| 60 | H | 82.6 | Confident | 79.3 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.7 | 163.6 | 82.2 | -73.9 | 0 | 0 | 0 | 108.4 | K67 V78 M79 | H60-K67 HydrophobicContact CB-CG 4.2Å; H60-V78 WeakPolarHBondContact O-CG1 3.44Å; H60-M79 PolarHBondContact CE1-SD 3.42Å; H60-M79 PolarHBondContact ND1-SD 3.49Å |
| 61 | H | 78.9 | Confident | 79.6 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | trans | -83.2 | 138.3 | 177.6 | -165.6 | 73.1 | 0 | 0 | 0 | 110.1 | N63 T64 | H61-N63 PolarHBondContact O-N 2.93Å; H61-T64 WeakPolarHBondContact CB-OG1 3.49Å; H61-T64 PolarHBondContact O-N 3.48Å | ||
| 62 | N | 68.6 | Low | 79.4 | Confident | 111 Ų | 111 | 69 Ų | 69 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -21.8 | -173.8 | -163.3 | -1.5 | 0 | 0 | 0 | 114.4 | Q80 | N62-Q80 PolarHBondContact ND2-OE1 2.96Š|
| 63 | N | 59.1 | Low | 79 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 80% | 0.802 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 10 | -179.6 | -156.7 | 24.6 | 0 | 0 | 0 | 114.3 | H61 | H61-N63 PolarHBondContact O-N 2.93Š|
| 64 | T | 67.5 | Low | 78.7 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | trans | -139.7 | 141.5 | -179.5 | 69.3 | 0 | 0 | 0 | 0 | 111.6 | H61 F66 | H61-T64 WeakPolarHBondContact CB-OG1 3.49Å; H61-T64 PolarHBondContact O-N 3.48Å; T64-F66 PolarHBondContact O-N 2.84Å | ||
| 65 | V | 70.9 | Confident | 78.4 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 35% | 0.352 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -73.8 | -5.1 | 174.3 | -163.2 | 0 | 0 | 0 | 0 | 112.1 | Y33 T34 K67 | Y33-V65 HydrophobicContact CD2-CG1 3.77Å; Y33-V65 VanDerWaalsContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CD2-O 3.25Å; Y33-V65 WeakPolarHBondContact CE2-O 3.5Å; Y33-V65 HydrophobicContact CG-CG1 4.4Å; T34-V65 WeakPolarHBondContact O-CG1 3.43Å; V65-K67 PolarHBondContact O-N 3.36Å |
| 66 | F | 78.1 | Confident | 77.8 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | trans | -72.7 | 120.3 | -178.3 | -67.6 | -68.2 | 0 | 0 | 0 | 112.3 | Y33 D35 T64 | Y33-F66 HydrophobicContact CE2-CD1 4.28Å; D35-F66 VanDerWaalsContact OD2-CZ 3.31Å; D35-F66 WeakPolarHBondContact OD2-CZ 3.4Å; T64-F66 PolarHBondContact O-N 2.84Å | ||
| 67 | K | 85.7 | Confident | 77.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 22% | 0.222 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 142.1 | 172.2 | -53.8 | -176.5 | -174.2 | 173.3 | 0 | 110.8 | C30 E31 Y33 F44 C59 H60 V65 | C30-K67 HydrophobicContact CB-CB 4.35Å; C30-K67 HydrophobicContact CB-CD 4.29Å; E31-K67 PolarHBondContact O-NZ 2.88Å; Y33-K67 HydrophobicContact CD1-CB 4.26Å; Y33-K67 HydrophobicContact CD1-CD 3.71Å; Y33-K67 HydrophobicContact CD1-CG 3.81Å; Y33-K67 HydrophobicContact CE1-CB 3.82Å; Y33-K67 HydrophobicContact CE1-CD 4.15Å; Y33-K67 HydrophobicContact CE1-CG 3.85Å; Y33-K67 HydrophobicContact CG-CD 4.45Å; Y33-K67 HydrophobicContact CG-CG 4.48Å; Y33-K67 PolarHBondContact OH-N 2.79Å; F44-K67 HydrophobicContact CZ-CB 4.38Å; F44-K67 WeakPolarHBondContact CZ-O 3.48Å; C59-K67 CarbonylContact O-C 3.58Å; C59-K67 VanDerWaalsContact O-CA 3.25Å; C59-K67 WeakPolarHBondContact O-CA 3.34Å; H60-K67 HydrophobicContact CB-CG 4.2Å; V65-K67 PolarHBondContact O-N 3.36Å |
| 68 | Y | 84.6 | Confident | 76.6 | Confident | 89 Ų | 89 | 65 Ų | 65 | 35% | 0.349 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 160.8 | 178.8 | 63.6 | -81.8 | 0 | 0 | 0 | 111.5 | C59 C70 | C59-Y68 HydrophobicContact CB-CD1 4.43Å; C59-Y68 HydrophobicContact CB-CD2 4.39Å; C59-Y68 HydrophobicContact CB-CE1 4Å; C59-Y68 HydrophobicContact CB-CE2 3.95Å; C59-Y68 PolarHBondContact N-O 2.89Å; C59-Y68 PolarHBondContact O-N 3.29Å; Y68-C70 HydrophobicContact CD2-CB 4.4Å; Y68-C70 HydrophobicContact CE2-CB 4.02Å |
| 69 | C | 86.4 | Confident | 75.9 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.7 | 174.8 | -59.7 | 0 | 0 | 0 | 0 | 110 | C46 F55 L57 | C46-C69 VanDerWaalsContact CA-SG 3.52Å; C46-C69 HydrophobicContact CB-CB 3.83Å; C46-C69 WeakPolarHBondContact CB-SG 3.42Å; C46-C69 WeakPolarHBondContact SG-CA 3.22Å; C46-C69 WeakPolarHBondContact SG-CB 3.35Å; C46-C69 CovalentContact SG-SG 2.04Å; C46-C69 PolarHBondContact SG-SG 2.83Å; F55-C69 HydrophobicContact CB-CB 4.15Å; F55-C69 WeakPolarHBondContact CD1-O 3.44Å; L57-C69 CarbonylContact O-C 3.53Å; L57-C69 VanDerWaalsContact O-CA 3.31Å; L57-C69 WeakPolarHBondContact O-CA 3.04Å |
| 70 | C | 84.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.7 | -177.2 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | F55 V56 L57 C59 Y68 E74 | F55-C70 CarbonylContact C-O 3.52Å; F55-C70 WeakPolarHBondContact CA-O 3.36Å; V56-C70 PolarHBondContact N-O 3.47Å; L57-C70 PolarHBondContact N-O 3.04Å; L57-C70 PolarHBondContact O-N 3.48Å; L57-C70 PolarHBondContact O-SG 3.31Å; C59-C70 HydrophobicContact CB-CB 3.66Å; C59-C70 WeakPolarHBondContact CB-SG 3.2Å; C59-C70 WeakPolarHBondContact SG-CB 3.43Å; C59-C70 CovalentContact SG-SG 2.01Å; C59-C70 PolarHBondContact SG-SG 3.29Å; Y68-C70 HydrophobicContact CD2-CB 4.4Å; Y68-C70 HydrophobicContact CE2-CB 4.02Å; C70-E74 HydrophobicContact CB-CB 4.11Å |
| 71 | N | 84.4 | Confident | 73.5 | Confident | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | trans | -81 | 166 | 171.5 | -168.4 | 15.3 | 0 | 0 | 0 | 111.1 | T54 T73 E74 F75 | T54-N71 PolarHBondContact O-OD1 3.08Å; N71-T73 VanDerWaalsContact C-N 3.32Å; N71-T73 PolarHBondContact O-N 2.94Å; N71-E74 PolarHBondContact O-N 3.44Å; N71-F75 WeakPolarHBondContact O-CB 3.42Å; N71-F75 PolarHBondContact O-N 2.95Å | ||
| 72 | E | 78.3 | Confident | 71.8 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 56% | 0.556 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.1 | -37.4 | -178.1 | -166.6 | 159.8 | -175.1 | 0 | 0 | 113.7 | L57 F75 Q76 | L57-E72 HydrophobicContact CD1-CB 3.91Å; L57-E72 HydrophobicContact CD1-CG 4.12Å; E72-F75 WeakPolarHBondContact O-CB 3.25Å; E72-F75 PolarHBondContact O-N 2.93Å; E72-Q76 WeakPolarHBondContact O-CG 3.43Å; E72-Q76 PolarHBondContact O-N 3.32Å |
| 73 | T | 75 | Confident | 70.9 | Confident | 92 Ų | 92 | 74.5 Ų | 74.5 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 176.8 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | N71 A77 | N71-T73 VanDerWaalsContact C-N 3.32Å; N71-T73 PolarHBondContact O-N 2.94Å; T73-A77 PolarHBondContact O-N 3.5Å |
| 74 | E | 75.2 | Confident | 70.2 | Confident | 84 Ų | 84 | 73.9 Ų | 73.9 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.5 | -36.3 | 176.7 | -68.9 | -173.5 | 160.8 | 0 | 0 | 111 | C70 N71 Q76 A77 V78 | C70-E74 HydrophobicContact CB-CB 4.11Å; N71-E74 PolarHBondContact O-N 3.44Å; E74-Q76 VanDerWaalsContact C-N 3.35Å; E74-Q76 PolarHBondContact O-N 2.9Å; E74-A77 PolarHBondContact O-N 3.48Å; E74-V78 VanDerWaalsContact O-CB 3.28Å; E74-V78 WeakPolarHBondContact O-CB 3.46Å; E74-V78 VanDerWaalsContact O-CG2 3.28Å; E74-V78 WeakPolarHBondContact O-CG2 3.48Å; E74-V78 PolarHBondContact O-N 2.9Å |
| 75 | F | 73.4 | Confident | 69.1 | Low | 18 Ų | 18 | 74.7 Ų | 74.7 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.8 | -48.1 | 174.1 | -177.1 | -96 | 0 | 0 | 0 | 111.5 | F27 L57 C58 C59 N71 E72 A77 V78 M79 | F27-F75 HydrophobicContact CD1-CE2 4.37Å; F27-F75 AromaticContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CD1-CZ 3.94Å; F27-F75 HydrophobicContact CE1-CZ 4.34Å; L57-F75 HydrophobicContact CB-CB 4.38Å; L57-F75 HydrophobicContact CB-CD2 4.03Å; L57-F75 HydrophobicContact CB-CG 4.32Å; L57-F75 HydrophobicContact CD1-CB 3.83Å; L57-F75 HydrophobicContact CD1-CD1 4.37Å; L57-F75 HydrophobicContact CD1-CG 4Å; C58-F75 WeakPolarHBondContact O-CE2 2.99Å; C59-F75 WeakPolarHBondContact SG-CA 3.26Å; N71-F75 WeakPolarHBondContact O-CB 3.42Å; N71-F75 PolarHBondContact O-N 2.95Å; E72-F75 WeakPolarHBondContact O-CB 3.25Å; E72-F75 PolarHBondContact O-N 2.93Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 3.2Å; F75-V78 PolarHBondContact O-N 3.45Å; F75-M79 HydrophobicContact CD2-CG 3.96Å; F75-M79 HydrophobicContact CE2-CB 4.37Å; F75-M79 HydrophobicContact CE2-CG 3.66Å; F75-M79 HydrophobicContact CZ-CB 4.41Å; F75-M79 HydrophobicContact CZ-CG 4.11Å; F75-M79 WeakPolarHBondContact O-CB 3.42Å; F75-M79 PolarHBondContact O-N 3.42Å |
| 76 | Q | 70 | Confident | 67.7 | Low | 83 Ų | 83 | 74.4 Ų | 74.4 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 176.9 | -71.8 | 176.2 | -14.9 | 0 | 0 | 112.5 | E72 E74 L83 | E72-Q76 WeakPolarHBondContact O-CG 3.43Å; E72-Q76 PolarHBondContact O-N 3.32Å; E74-Q76 VanDerWaalsContact C-N 3.35Å; E74-Q76 PolarHBondContact O-N 2.9Å; Q76-L83 HydrophobicContact CG-CD1 4.17Å |
| 77 | A | 70.6 | Confident | 66.1 | Low | 77 Ų | 77 | 75.5 Ų | 75.5 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -73.9 | -40 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T73 E74 F75 | T73-A77 PolarHBondContact O-N 3.5Å; E74-A77 PolarHBondContact O-N 3.48Å; F75-A77 VanDerWaalsContact C-N 3.31Å; F75-A77 PolarHBondContact O-N 3.2Å |
| 78 | V | 69.6 | Low | 64.2 | Low | 32 Ų | 32 | 80.8 Ų | 80.8 | 19% | 0.194 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -89.5 | -39.4 | -169.8 | 175 | 0 | 0 | 0 | 0 | 112.5 | H60 E74 F75 Q80 | H60-V78 WeakPolarHBondContact O-CG1 3.44Å; E74-V78 VanDerWaalsContact O-CB 3.28Å; E74-V78 WeakPolarHBondContact O-CB 3.46Å; E74-V78 VanDerWaalsContact O-CG2 3.28Å; E74-V78 WeakPolarHBondContact O-CG2 3.48Å; E74-V78 PolarHBondContact O-N 2.9Å; F75-V78 PolarHBondContact O-N 3.45Å; V78-Q80 PolarHBondContact O-N 3.44Å |
| 79 | M | 67.8 | Low | 62.4 | Low | 73 Ų | 73 | 80 Ų | 80 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3.5 | 178.2 | -80.8 | -72.7 | -72 | 0 | 0 | 113.3 | H60 F75 A81 | H60-M79 PolarHBondContact CE1-SD 3.42Å; H60-M79 PolarHBondContact ND1-SD 3.49Å; F75-M79 HydrophobicContact CD2-CG 3.96Å; F75-M79 HydrophobicContact CE2-CB 4.37Å; F75-M79 HydrophobicContact CE2-CG 3.66Å; F75-M79 HydrophobicContact CZ-CB 4.41Å; F75-M79 HydrophobicContact CZ-CG 4.11Å; F75-M79 WeakPolarHBondContact O-CB 3.42Å; F75-M79 PolarHBondContact O-N 3.42Å; M79-A81 PolarHBondContact O-N 3.5Å |
| 80 | Q | 59.5 | Low | 60.5 | Low | 140 Ų | 140 | 86.5 Ų | 86.5 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 34.9 | -171.9 | -67.8 | -178.6 | -62.1 | 0 | 0 | 112.4 | N62 V78 N82 | N62-Q80 PolarHBondContact ND2-OE1 2.96Å; V78-Q80 PolarHBondContact O-N 3.44Å; Q80-N82 PolarHBondContact O-N 3.3Å |
| 81 | A | 54.7 | Low | 58.8 | Low | 30 Ų | 30 | 92.7 Ų | 92.7 | 25% | 0.248 | 53% | 0.532 | C | S | . | . | trans | -77.9 | 74.6 | 171 | 0 | 0 | 0 | 0 | 0 | 108 | M79 L83 | M79-A81 PolarHBondContact O-N 3.5Å; A81-L83 PolarHBondContact O-N 3.36Å | ||
| 82 | N | 44 | Very low | 57.1 | Low | 117 Ų | 117 | 98.4 Ų | 98.4 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | trans | -61.7 | 87.6 | 161.7 | -88.4 | -16.2 | 0 | 0 | 0 | 107.6 | Q80 T84 A85 | Q80-N82 PolarHBondContact O-N 3.3Å; N82-T84 PolarHBondContact O-N 3.42Å; N82-A85 HydrophobicContact CB-CB 3.87Å; N82-A85 PolarHBondContact O-N 3.19Å | ||
| 83 | L | 50.1 | Low | 56.1 | Low | 145 Ų | 145 | 98.1 Ų | 98.1 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 3.4 | 169.7 | -86.3 | 145.8 | 0 | 0 | 0 | 113 | Q76 A81 | Q76-L83 HydrophobicContact CG-CD1 4.17Å; A81-L83 PolarHBondContact O-N 3.36Å |
| 84 | T | 44.3 | Very low | 55.2 | Low | 138 Ų | 138 | 97 Ų | 97 | 85% | 0.847 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -3.8 | 172.2 | -11 | 0 | 0 | 0 | 0 | 114.2 | N82 | N82-T84 PolarHBondContact O-N 3.42Š|
| 85 | A | 45.1 | Very low | 54.5 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -121.5 | 71.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N82 | N82-A85 HydrophobicContact CB-CB 3.87Å; N82-A85 PolarHBondContact O-N 3.19Å |
| 86 | G | 41.3 | Very low | 54.2 | Low | 52 Ų | 52 | 104.7 Ų | 104.7 | 54% | 0.536 | 59% | 0.588 | S | S | . | * | trans | 86.5 | 130.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E88 | G86-E88 PolarHBondContact O-N 2.84Š| ||
| 87 | P | 43.5 | Very low | 54.2 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 70% | 0.701 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 30.4 | 177.5 | 35.6 | -36.2 | 0 | 0 | 0 | 113 | ||
| 88 | E | 46.7 | Very low | 54.3 | Low | 162 Ų | 162 | 104.2 Ų | 104.2 | 76% | 0.757 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -11.6 | -165 | -65.7 | -68.6 | 150 | 0 | 0 | 113.5 | G86 | G86-E88 PolarHBondContact O-N 2.84Š|
| 89 | G | 46.9 | Very low | 54.7 | Low | 74 Ų | 74 | 105.8 Ų | 105.8 | 76% | 0.763 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -97.5 | -14 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 90 | Y | 46.9 | Very low | 55.2 | Low | 147 Ų | 147 | 104 Ų | 104 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -102.3 | 21 | -176.6 | -121.3 | -97.8 | 0 | 0 | 0 | 112.7 | F27 | F27-Y90 HydrophobicContact CE1-CE1 4.41Å; F27-Y90 HydrophobicContact CE1-CE2 4.48Å; F27-Y90 AromaticContact CE1-CZ 3.8Å; F27-Y90 WeakPolarHBondContact CE1-OH 3.43Å; F27-Y90 AromaticContact CE2-CE1 3.46Å; F27-Y90 HydrophobicContact CE2-CE1 3.46Å; F27-Y90 VanDerWaalsContact CE2-CE1 3.46Å; F27-Y90 AromaticContact CE2-CZ 3.55Å; F27-Y90 WeakPolarHBondContact CE2-OH 3.39Å; F27-Y90 HydrophobicContact CZ-CD1 4.47Å; F27-Y90 AromaticContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE1 3.37Å; F27-Y90 HydrophobicContact CZ-CE2 4.12Å; F27-Y90 AromaticContact CZ-CZ 3.17Å; F27-Y90 WeakPolarHBondContact CZ-OH 3.08Å |
| 91 | M | 48.2 | Very low | 56.3 | Low | 130 Ų | 130 | 102.4 Ų | 102.4 | 64% | 0.64 | 59% | 0.592 | S | S | * | * | trans | -102.6 | -0.1 | -175 | -72.8 | -77.2 | 106.4 | 0 | 0 | 113.5 | ||||
| 92 | H | 48.6 | Very low | 57.4 | Low | 173 Ų | 173 | 108.9 Ų | 108.9 | 80% | 0.801 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -99.5 | -4 | -176.2 | -150.1 | 65.3 | 0 | 0 | 0 | 116.1 | ||
| 93 | N | 57.2 | Low | 59.3 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -105 | 111.8 | 173.9 | -86.9 | 9.3 | 0 | 0 | 0 | 111.4 | Y95 | N93-Y95 PolarHBondContact O-N 3.4Š|
| 94 | N | 56.7 | Low | 61.1 | Low | 68 Ų | 68 | 109.5 Ų | 109.5 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | S | Bend | trans | 73.4 | 2.5 | 163.2 | -54.4 | -33.5 | 0 | 0 | 0 | 118.4 | H26 T96 A97 L98 | H26-N94 PolarHBondContact NE2-ND2 2.87Å; N94-T96 VanDerWaalsContact C-N 3.32Å; N94-T96 PolarHBondContact O-N 3.42Å; N94-A97 PolarHBondContact O-N 2.92Å; N94-L98 WeakPolarHBondContact O-CB 3.26Å; N94-L98 PolarHBondContact O-N 3.02Å |
| 95 | Y | 60 | Low | 63.1 | Low | 144 Ų | 144 | 104.5 Ų | 104.5 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.5 | -44.5 | 174.2 | -170.7 | -109.5 | 0 | 0 | 0 | 111.4 | N93 L98 L99 | N93-Y95 PolarHBondContact O-N 3.4Å; Y95-L98 PolarHBondContact O-N 3.42Å; Y95-L99 HydrophobicContact CD1-CD1 3.7Å; Y95-L99 HydrophobicContact CD1-CG 4.26Å; Y95-L99 HydrophobicContact CE1-CD1 3.36Å; Y95-L99 HydrophobicContact CE1-CG 4.03Å; Y95-L99 WeakPolarHBondContact O-CB 2.85Å; Y95-L99 VanDerWaalsContact O-CG 3.23Å; Y95-L99 WeakPolarHBondContact O-CG 3.07Å; Y95-L99 PolarHBondContact O-N 3.46Å |
| 96 | T | 67.3 | Low | 64.9 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 73% | 0.73 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.9 | -39.5 | 177.6 | -28.8 | 0 | 0 | 0 | 0 | 112.6 | N94 G100 | N94-T96 VanDerWaalsContact C-N 3.32Å; N94-T96 PolarHBondContact O-N 3.42Å; T96-G100 PolarHBondContact O-N 3.45Å |
| 97 | A | 69.4 | Low | 67 | Low | 56 Ų | 56 | 110.7 Ų | 110.7 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N94 G100 V101 | N94-A97 PolarHBondContact O-N 2.92Å; A97-G100 PolarHBondContact O-N 3.18Å; A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.36Å |
| 98 | L | 72.3 | Confident | 69.3 | Low | 94 Ų | 94 | 108 Ų | 108 | 49% | 0.492 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -43.7 | 175.3 | -174.7 | 70.9 | 0 | 0 | 0 | 110.8 | N94 Y95 G100 V101 W102 | N94-L98 WeakPolarHBondContact O-CB 3.26Å; N94-L98 PolarHBondContact O-N 3.02Å; Y95-L98 PolarHBondContact O-N 3.42Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-G100 PolarHBondContact O-N 3.49Å; L98-V101 PolarHBondContact O-N 3.12Å; L98-W102 VanDerWaalsContact O-CB 3.25Å; L98-W102 WeakPolarHBondContact O-CB 3.47Å; L98-W102 PolarHBondContact O-N 2.93Å |
| 99 | L | 77.3 | Confident | 71.2 | Confident | 65 Ų | 65 | 105 Ų | 105 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 172.4 | -75.9 | -179.6 | 0 | 0 | 0 | 111.3 | Y95 W102 I103 | Y95-L99 HydrophobicContact CD1-CD1 3.7Å; Y95-L99 HydrophobicContact CD1-CG 4.26Å; Y95-L99 HydrophobicContact CE1-CD1 3.36Å; Y95-L99 HydrophobicContact CE1-CG 4.03Å; Y95-L99 WeakPolarHBondContact O-CB 2.85Å; Y95-L99 VanDerWaalsContact O-CG 3.23Å; Y95-L99 WeakPolarHBondContact O-CG 3.07Å; Y95-L99 PolarHBondContact O-N 3.46Å; L99-W102 PolarHBondContact O-N 3.38Å; L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 WeakPolarHBondContact O-CD1 3.4Å; L99-I103 WeakPolarHBondContact O-CG1 3.44Å; L99-I103 PolarHBondContact O-N 2.88Å |
| 100 | G | 79.4 | Confident | 73 | Confident | 37 Ų | 37 | 103.8 Ų | 103.8 | 38% | 0.381 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T96 A97 L98 W102 I103 Y104 | T96-G100 PolarHBondContact O-N 3.45Å; A97-G100 PolarHBondContact O-N 3.18Å; L98-G100 VanDerWaalsContact C-N 3.33Å; L98-G100 PolarHBondContact O-N 3.49Å; G100-W102 VanDerWaalsContact C-N 3.29Å; G100-W102 PolarHBondContact O-N 2.77Å; G100-I103 PolarHBondContact O-N 2.91Å; G100-Y104 VanDerWaalsContact O-CB 3.26Å; G100-Y104 WeakPolarHBondContact O-CB 3.36Å; G100-Y104 PolarHBondContact O-N 3.11Å |
| 101 | V | 81.5 | Confident | 75.1 | Confident | 106 Ų | 106 | 101 Ų | 101 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 176.3 | 174 | 0 | 0 | 0 | 0 | 110.9 | A97 L98 G105 | A97-V101 WeakPolarHBondContact O-CG2 3.32Å; A97-V101 PolarHBondContact O-N 3.36Å; L98-V101 PolarHBondContact O-N 3.12Å; V101-G105 WeakPolarHBondContact O-CA 3.19Å; V101-G105 PolarHBondContact O-N 2.04Å |
| 102 | W | 79.8 | Confident | 77.2 | Confident | 165 Ų | 165 | 100.1 Ų | 100.1 | 63% | 0.625 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.8 | -47.7 | 179.1 | -167 | 76.8 | 0 | 0 | 0 | 112.2 | L98 L99 G100 G105 F106 | L98-W102 VanDerWaalsContact O-CB 3.25Å; L98-W102 WeakPolarHBondContact O-CB 3.47Å; L98-W102 PolarHBondContact O-N 2.93Å; L99-W102 PolarHBondContact O-N 3.38Å; G100-W102 VanDerWaalsContact C-N 3.29Å; G100-W102 PolarHBondContact O-N 2.77Å; W102-G105 PolarHBondContact O-N 3.09Å; W102-F106 VanDerWaalsContact O-CB 3.25Å; W102-F106 WeakPolarHBondContact O-CB 3.42Å; W102-F106 PolarHBondContact O-N 2.93Å |
| 103 | I | 83.9 | Confident | 78.8 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 55% | 0.554 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 178.1 | -67.5 | 164 | 0 | 0 | 0 | 110.3 | L99 G100 F106 F107 | L99-I103 WeakPolarHBondContact O-CB 3.25Å; L99-I103 WeakPolarHBondContact O-CD1 3.4Å; L99-I103 WeakPolarHBondContact O-CG1 3.44Å; L99-I103 PolarHBondContact O-N 2.88Å; G100-I103 PolarHBondContact O-N 2.91Å; I103-F106 PolarHBondContact O-N 3.22Å; I103-F107 PolarHBondContact O-N 2.85Å |
| 104 | Y | 86.7 | Confident | 80.3 | Confident | 167 Ų | 167 | 94.5 Ų | 94.5 | 66% | 0.655 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -46.7 | 178.9 | -178.2 | -98.1 | 0 | 0 | 0 | 111.9 | G100 F106 F107 V108 | G100-Y104 VanDerWaalsContact O-CB 3.26Å; G100-Y104 WeakPolarHBondContact O-CB 3.36Å; G100-Y104 PolarHBondContact O-N 3.11Å; Y104-F106 VanDerWaalsContact C-N 3.33Å; Y104-F106 PolarHBondContact O-N 3.34Å; Y104-F107 WeakPolarHBondContact O-CB 3.32Å; Y104-F107 PolarHBondContact O-N 2.96Å; Y104-V108 HydrophobicContact CD1-CG2 4.15Å; Y104-V108 HydrophobicContact CE1-CG2 3.72Å; Y104-V108 HydrophobicContact CE2-CG2 4.33Å; Y104-V108 WeakPolarHBondContact O-CG2 3.06Å; Y104-V108 PolarHBondContact O-N 3.45Å |
| 105 | G | 86 | Confident | 81.8 | Confident | 34 Ų | 34 | 96.4 Ų | 96.4 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V101 W102 F107 V108 L109 | V101-G105 WeakPolarHBondContact O-CA 3.19Å; V101-G105 PolarHBondContact O-N 2.04Å; W102-G105 PolarHBondContact O-N 3.09Å; G105-F107 VanDerWaalsContact C-N 3.34Å; G105-F107 PolarHBondContact O-N 3.26Å; G105-V108 PolarHBondContact O-N 2.89Å; G105-L109 WeakPolarHBondContact O-CB 3.31Å; G105-L109 PolarHBondContact O-N 3.31Å |
| 106 | F | 82.8 | Confident | 82.8 | Confident | 127 Ų | 127 | 95.1 Ų | 95.1 | 56% | 0.557 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 174.9 | -178.2 | -98.2 | 0 | 0 | 0 | 112 | W102 I103 Y104 L109 T110 | W102-F106 VanDerWaalsContact O-CB 3.25Å; W102-F106 WeakPolarHBondContact O-CB 3.42Å; W102-F106 PolarHBondContact O-N 2.93Å; I103-F106 PolarHBondContact O-N 3.22Å; Y104-F106 VanDerWaalsContact C-N 3.33Å; Y104-F106 PolarHBondContact O-N 3.34Å; F106-L109 PolarHBondContact O-N 3.19Å; F106-T110 WeakPolarHBondContact O-CB 3.49Å; F106-T110 PolarHBondContact O-N 2.97Å; F106-T110 PolarHBondContact O-OG1 3.35Å |
| 107 | F | 86.1 | Confident | 83.5 | Confident | 127 Ų | 127 | 94.2 Ų | 94.2 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 177.3 | -171.3 | -106.6 | 0 | 0 | 0 | 111.9 | I103 Y104 G105 L109 T110 L111 | I103-F107 PolarHBondContact O-N 2.85Å; Y104-F107 WeakPolarHBondContact O-CB 3.32Å; Y104-F107 PolarHBondContact O-N 2.96Å; G105-F107 VanDerWaalsContact C-N 3.34Å; G105-F107 PolarHBondContact O-N 3.26Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 3.49Å; F107-T110 WeakPolarHBondContact O-CB 3.48Å; F107-T110 PolarHBondContact O-N 3.45Å; F107-L111 HydrophobicContact CD1-CD1 3.81Å; F107-L111 HydrophobicContact CD1-CG 4.33Å; F107-L111 HydrophobicContact CE1-CD1 3.44Å; F107-L111 VanDerWaalsContact CE1-CD1 3.44Å; F107-L111 HydrophobicContact CE1-CG 4.07Å; F107-L111 HydrophobicContact CZ-CD1 4.05Å; F107-L111 HydrophobicContact CZ-CD2 4.35Å; F107-L111 HydrophobicContact CZ-CG 4.29Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.83Å |
| 108 | V | 90.9 | Very high | 84.2 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | Y104 G105 T110 L111 L112 | Y104-V108 HydrophobicContact CD1-CG2 4.15Å; Y104-V108 HydrophobicContact CE1-CG2 3.72Å; Y104-V108 HydrophobicContact CE2-CG2 4.33Å; Y104-V108 WeakPolarHBondContact O-CG2 3.06Å; Y104-V108 PolarHBondContact O-N 3.45Å; G105-V108 PolarHBondContact O-N 2.89Å; V108-T110 VanDerWaalsContact C-N 3.33Å; V108-T110 PolarHBondContact O-N 3.13Å; V108-L111 PolarHBondContact O-N 3.36Å; V108-L112 HydrophobicContact CG1-CD1 4.21Å; V108-L112 PolarHBondContact O-N 3.43Å |
| 109 | L | 88.1 | Confident | 84.7 | Confident | 100 Ų | 100 | 101 Ų | 101 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176 | -170.5 | 154.5 | 0 | 0 | 0 | 111.1 | G105 F106 F107 L112 V113 | G105-L109 WeakPolarHBondContact O-CB 3.31Å; G105-L109 PolarHBondContact O-N 3.31Å; F106-L109 PolarHBondContact O-N 3.19Å; F107-L109 VanDerWaalsContact C-N 3.35Å; F107-L109 PolarHBondContact O-N 3.49Å; L109-L112 PolarHBondContact O-N 3.45Å; L109-V113 HydrophobicContact CD2-CG2 3.99Å; L109-V113 WeakPolarHBondContact O-CG2 3.04Å; L109-V113 PolarHBondContact O-N 2.94Å |
| 110 | T | 85 | Confident | 84.5 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 111 | F106 F107 V108 L112 V113 L114 | F106-T110 WeakPolarHBondContact O-CB 3.49Å; F106-T110 PolarHBondContact O-N 2.97Å; F106-T110 PolarHBondContact O-OG1 3.35Å; F107-T110 WeakPolarHBondContact O-CB 3.48Å; F107-T110 PolarHBondContact O-N 3.45Å; V108-T110 VanDerWaalsContact C-N 3.33Å; V108-T110 PolarHBondContact O-N 3.13Å; T110-L112 PolarHBondContact O-N 3.33Å; T110-V113 PolarHBondContact O-N 2.87Å; T110-L114 HydrophobicContact CG2-CD1 4.14Å; T110-L114 WeakPolarHBondContact O-CB 3.37Å; T110-L114 WeakPolarHBondContact O-CG 2.96Å; T110-L114 PolarHBondContact O-N 3.04Å |
| 111 | L | 90.9 | Very high | 84.5 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176 | -71 | 178.2 | 0 | 0 | 0 | 112.3 | F107 V108 V113 L114 D115 | F107-L111 HydrophobicContact CD1-CD1 3.81Å; F107-L111 HydrophobicContact CD1-CG 4.33Å; F107-L111 HydrophobicContact CE1-CD1 3.44Å; F107-L111 VanDerWaalsContact CE1-CD1 3.44Å; F107-L111 HydrophobicContact CE1-CG 4.07Å; F107-L111 HydrophobicContact CZ-CD1 4.05Å; F107-L111 HydrophobicContact CZ-CD2 4.35Å; F107-L111 HydrophobicContact CZ-CG 4.29Å; F107-L111 WeakPolarHBondContact O-CG 3.36Å; F107-L111 PolarHBondContact O-N 2.83Å; V108-L111 PolarHBondContact O-N 3.36Å; L111-V113 PolarHBondContact O-N 3.34Å; L111-L114 PolarHBondContact O-N 2.78Å; L111-D115 WeakPolarHBondContact O-CB 3.03Å; L111-D115 PolarHBondContact O-N 3.22Å |
| 112 | L | 90.5 | Very high | 84.4 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 175.5 | -85.2 | 167.3 | 0 | 0 | 0 | 112.4 | V108 L109 T110 D115 L116 | V108-L112 HydrophobicContact CG1-CD1 4.21Å; V108-L112 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 3.45Å; T110-L112 PolarHBondContact O-N 3.33Å; L112-D115 PolarHBondContact O-N 3.33Å; L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.49Å |
| 113 | V | 83.9 | Confident | 84.4 | Confident | 67 Ų | 67 | 97.3 Ų | 97.3 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L109 T110 L111 L116 L117 | L109-V113 HydrophobicContact CD2-CG2 3.99Å; L109-V113 WeakPolarHBondContact O-CG2 3.04Å; L109-V113 PolarHBondContact O-N 2.94Å; T110-V113 PolarHBondContact O-N 2.87Å; L111-V113 PolarHBondContact O-N 3.34Å; V113-L116 PolarHBondContact O-N 2.85Å; V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 HydrophobicContact CG1-CG 4.23Å; V113-L117 VanDerWaalsContact O-CB 3.29Å; V113-L117 WeakPolarHBondContact O-CB 3.41Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 3.37Å |
| 114 | L | 87.3 | Confident | 83.6 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.6 | -74 | 172.2 | 0 | 0 | 0 | 111.9 | T110 L111 L117 Y118 | T110-L114 HydrophobicContact CG2-CD1 4.14Å; T110-L114 WeakPolarHBondContact O-CB 3.37Å; T110-L114 WeakPolarHBondContact O-CG 2.96Å; T110-L114 PolarHBondContact O-N 3.04Å; L111-L114 PolarHBondContact O-N 2.78Å; L114-L117 PolarHBondContact O-N 3.44Å; L114-Y118 VanDerWaalsContact O-CB 3.22Å; L114-Y118 WeakPolarHBondContact O-CB 3.22Å; L114-Y118 PolarHBondContact O-N 2.77Å |
| 115 | D | 88.6 | Confident | 82.7 | Confident | 108 Ų | 108 | 94.2 Ų | 94.2 | 58% | 0.578 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.1 | -46.6 | 176.2 | -173.4 | 74.3 | 0 | 0 | 0 | 111.3 | L111 L112 L117 Y118 Y119 | L111-D115 WeakPolarHBondContact O-CB 3.03Å; L111-D115 PolarHBondContact O-N 3.22Å; L112-D115 PolarHBondContact O-N 3.33Å; D115-L117 VanDerWaalsContact C-N 3.34Å; D115-L117 PolarHBondContact O-N 2.9Å; D115-Y118 PolarHBondContact O-N 3.29Å; D115-Y119 VanDerWaalsContact O-CB 3.31Å; D115-Y119 WeakPolarHBondContact O-CB 3.25Å; D115-Y119 PolarHBondContact O-N 2.86Å |
| 116 | L | 81.9 | Confident | 81.8 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 175.4 | -175.4 | 67.9 | 0 | 0 | 0 | 111.7 | L112 V113 S120 | L112-L116 WeakPolarHBondContact O-CB 3.31Å; L112-L116 PolarHBondContact O-N 3.49Å; V113-L116 PolarHBondContact O-N 2.85Å; L116-S120 VanDerWaalsContact O-CB 3.23Å; L116-S120 WeakPolarHBondContact O-CB 3.34Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3Å |
| 117 | L | 80.9 | Confident | 81.1 | Confident | 100 Ų | 100 | 91.8 Ų | 91.8 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177.1 | -76.4 | 172.8 | 0 | 0 | 0 | 111.2 | V113 L114 D115 S120 A121 | V113-L117 HydrophobicContact CG1-CD1 3.79Å; V113-L117 HydrophobicContact CG1-CG 4.23Å; V113-L117 VanDerWaalsContact O-CB 3.29Å; V113-L117 WeakPolarHBondContact O-CB 3.41Å; V113-L117 WeakPolarHBondContact O-CG 3.36Å; V113-L117 PolarHBondContact O-N 3.37Å; L114-L117 PolarHBondContact O-N 3.44Å; D115-L117 VanDerWaalsContact C-N 3.34Å; D115-L117 PolarHBondContact O-N 2.9Å; L117-S120 WeakPolarHBondContact CA-OG 3.47Å; L117-S120 CarbonylContact O-C 3.53Å; L117-S120 PolarHBondContact O-N 3.3Å; L117-S120 PolarHBondContact O-OG 2.86Å; L117-A121 WeakPolarHBondContact O-CB 3Å; L117-A121 PolarHBondContact O-N 3.44Å |
| 118 | Y | 85.3 | Confident | 80.3 | Confident | 165 Ų | 165 | 89.8 Ų | 89.8 | 65% | 0.647 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | 177.4 | -179.9 | -100.5 | 0 | 0 | 0 | 111.3 | L114 D115 S120 A121 M122 | L114-Y118 VanDerWaalsContact O-CB 3.22Å; L114-Y118 WeakPolarHBondContact O-CB 3.22Å; L114-Y118 PolarHBondContact O-N 2.77Å; D115-Y118 PolarHBondContact O-N 3.29Å; Y118-S120 VanDerWaalsContact C-N 3.28Å; Y118-S120 PolarHBondContact O-N 3.1Å; Y118-A121 PolarHBondContact O-N 2.86Å; Y118-M122 PolarHBondContact O-N 3.34Å |
| 119 | Y | 81.5 | Confident | 79.2 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 50% | 0.502 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 173.9 | -177.5 | -97.1 | 0 | 0 | 0 | 111.6 | D115 M122 N123 | D115-Y119 VanDerWaalsContact O-CB 3.31Å; D115-Y119 WeakPolarHBondContact O-CB 3.25Å; D115-Y119 PolarHBondContact O-N 2.86Å; Y119-M122 PolarHBondContact O-N 2.84Å; Y119-N123 HydrophobicContact CE1-CB 4.48Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.29Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.23Å; Y119-N123 WeakPolarHBondContact O-CB 3.5Å; Y119-N123 PolarHBondContact O-N 3.47Å |
| 120 | S | 74.4 | Confident | 78.3 | Confident | 24 Ų | 24 | 93.9 Ų | 93.9 | 17% | 0.168 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.8 | -31.3 | 177.9 | 78.4 | 0 | 0 | 0 | 0 | 113.6 | L116 L117 Y118 N123 Y124 | L116-S120 VanDerWaalsContact O-CB 3.23Å; L116-S120 WeakPolarHBondContact O-CB 3.34Å; L116-S120 PolarHBondContact O-N 2.97Å; L116-S120 PolarHBondContact O-OG 3Å; L117-S120 WeakPolarHBondContact CA-OG 3.47Å; L117-S120 CarbonylContact O-C 3.53Å; L117-S120 PolarHBondContact O-N 3.3Å; L117-S120 PolarHBondContact O-OG 2.86Å; Y118-S120 VanDerWaalsContact C-N 3.28Å; Y118-S120 PolarHBondContact O-N 3.1Å; S120-N123 CarbonylContact O-C 3.42Å; S120-Y124 WeakPolarHBondContact O-CA 3.04Å; S120-Y124 PolarHBondContact O-N 3.31Å |
| 121 | A | 78 | Confident | 77.6 | Confident | 74 Ų | 74 | 94.3 Ų | 94.3 | 61% | 0.612 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.7 | -40.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L117 Y118 | L117-A121 WeakPolarHBondContact O-CB 3Å; L117-A121 PolarHBondContact O-N 3.44Å; Y118-A121 PolarHBondContact O-N 2.86Å |
| 122 | M | 79.2 | Confident | 76.4 | Confident | 141 Ų | 141 | 93.2 Ų | 93.2 | 70% | 0.695 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.9 | -35.2 | 177.1 | -161.4 | 66.1 | -177.4 | 0 | 0 | 112.3 | Y118 Y119 | Y118-M122 PolarHBondContact O-N 3.34Å; Y119-M122 PolarHBondContact O-N 2.84Å |
| 123 | N | 80.4 | Confident | 75.5 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 50.4 | -178.5 | -65.1 | -61.8 | 0 | 0 | 0 | 112 | Y119 S120 D125 I126 C127 | Y119-N123 HydrophobicContact CE1-CB 4.48Å; Y119-N123 VanDerWaalsContact CE2-ND2 3.29Å; Y119-N123 WeakPolarHBondContact CE2-ND2 3.23Å; Y119-N123 WeakPolarHBondContact O-CB 3.5Å; Y119-N123 PolarHBondContact O-N 3.47Å; S120-N123 CarbonylContact O-C 3.42Å; N123-D125 VanDerWaalsContact C-N 3.26Å; N123-D125 PolarHBondContact O-N 3.39Å; N123-I126 HydrophobicContact CB-CB 4.26Å; N123-I126 HydrophobicContact CB-CD1 4.23Å; N123-I126 HydrophobicContact CB-CG1 4.48Å; N123-I126 PolarHBondContact O-N 2.82Å; N123-I126 VanDerWaalsContact O-N 3.1Å; N123-C127 PolarHBondContact O-N 3.35Å |
| 124 | Y | 67.9 | Low | 74.7 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 33% | 0.329 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -54.6 | -38.8 | -174.2 | -173.6 | -96.2 | 0 | 0 | 0 | 113.5 | S120 I126 C127 K128 W140 | S120-Y124 WeakPolarHBondContact O-CA 3.04Å; S120-Y124 PolarHBondContact O-N 3.31Å; Y124-I126 PolarHBondContact O-N 2.03Å; Y124-C127 PolarHBondContact O-N 3.31Å; Y124-K128 WeakPolarHBondContact O-CB 3.48Å; Y124-K128 PolarHBondContact O-N 3.41Å; Y124-W140 HydrophobicContact CE2-CH2 4.35Å; Y124-W140 HydrophobicContact CE2-CZ3 4.33Å |
| 125 | D | 67 | Low | 73.5 | Confident | 126 Ų | 126 | 102.8 Ų | 102.8 | 67% | 0.674 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | -180 | -66.2 | -42.6 | 0 | 0 | 0 | 112.6 | N123 K128 V129 | N123-D125 VanDerWaalsContact C-N 3.26Å; N123-D125 PolarHBondContact O-N 3.39Å; D125-K128 PolarHBondContact O-N 2.87Å; D125-V129 WeakPolarHBondContact O-CG2 3.25Å; D125-V129 PolarHBondContact O-N 2.81Å |
| 126 | I | 67.4 | Low | 72.3 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -43.6 | 177.9 | -61.9 | -179.8 | 0 | 0 | 0 | 109.7 | N123 Y124 K128 V129 Y130 | N123-I126 HydrophobicContact CB-CB 4.26Å; N123-I126 HydrophobicContact CB-CD1 4.23Å; N123-I126 HydrophobicContact CB-CG1 4.48Å; N123-I126 PolarHBondContact O-N 2.82Å; N123-I126 VanDerWaalsContact O-N 3.1Å; Y124-I126 PolarHBondContact O-N 2.03Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.96Å; I126-V129 PolarHBondContact O-N 3.49Å; I126-V129 VanDerWaalsContact O-N 3.16Å; I126-Y130 HydrophobicContact CG2-CD2 3.65Å; I126-Y130 HydrophobicContact CG2-CE2 3.33Å; I126-Y130 WeakPolarHBondContact O-CD2 3.4Å; I126-Y130 PolarHBondContact O-N 3.18Å |
| 127 | C | 68.7 | Low | 71.2 | Confident | 36 Ų | 36 | 104 Ų | 104 | 24% | 0.243 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 112 | N123 Y124 V129 Y130 L131 | N123-C127 PolarHBondContact O-N 3.35Å; Y124-C127 PolarHBondContact O-N 3.31Å; C127-V129 VanDerWaalsContact C-N 3.32Å; C127-V129 PolarHBondContact O-N 3Å; C127-Y130 PolarHBondContact O-N 3.32Å; C127-L131 WeakPolarHBondContact O-CB 2.85Å; C127-L131 VanDerWaalsContact O-CG 3.3Å; C127-L131 WeakPolarHBondContact O-CG 3.19Å; C127-L131 PolarHBondContact O-N 2.01Å; C127-L131 VanDerWaalsContact SG-CD1 3.58Å |
| 128 | K | 67.7 | Low | 70.2 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 175.4 | -171.6 | 178.8 | 179.8 | 177.9 | 0 | 112.3 | Y124 D125 I126 T132 M141 | Y124-K128 WeakPolarHBondContact O-CB 3.48Å; Y124-K128 PolarHBondContact O-N 3.41Å; D125-K128 PolarHBondContact O-N 2.87Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.96Å; K128-T132 WeakPolarHBondContact O-CB 3.42Å; K128-T132 WeakPolarHBondContact O-CG2 3.38Å; K128-T132 PolarHBondContact O-N 3.31Å; K128-T132 PolarHBondContact O-OG1 3.11Å; K128-M141 HydrophobicContact CG-CE 4.32Å; K128-M141 HydrophobicContact CG-SD 4.34Å |
| 129 | V | 68.8 | Low | 68.7 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | D125 I126 C127 T132 R133 | D125-V129 WeakPolarHBondContact O-CG2 3.25Å; D125-V129 PolarHBondContact O-N 2.81Å; I126-V129 PolarHBondContact O-N 3.49Å; I126-V129 VanDerWaalsContact O-N 3.16Å; C127-V129 VanDerWaalsContact C-N 3.32Å; C127-V129 PolarHBondContact O-N 3Å; V129-T132 WeakPolarHBondContact CA-OG1 3.28Å; V129-T132 PolarHBondContact O-OG1 2.88Å; V129-R133 WeakPolarHBondContact O-CB 3.14Å; V129-R133 PolarHBondContact O-N 3.2Å |
| 130 | Y | 69.3 | Low | 67.6 | Low | 147 Ų | 147 | 108 Ų | 108 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 177.4 | -75.8 | -67.2 | 0 | 0 | 0 | 112.7 | I126 C127 R133 W134 | I126-Y130 HydrophobicContact CG2-CD2 3.65Å; I126-Y130 HydrophobicContact CG2-CE2 3.33Å; I126-Y130 WeakPolarHBondContact O-CD2 3.4Å; I126-Y130 PolarHBondContact O-N 3.18Å; C127-Y130 PolarHBondContact O-N 3.32Å; Y130-R133 PolarHBondContact O-N 3.39Å; Y130-W134 PolarHBondContact O-N 3.28Å |
| 131 | L | 69.4 | Low | 66.8 | Low | 57 Ų | 57 | 108.5 Ų | 108.5 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.5 | -37 | 177.5 | -75.5 | 171.8 | 0 | 0 | 0 | 112.7 | C127 W134 G135 I136 M141 | C127-L131 WeakPolarHBondContact O-CB 2.85Å; C127-L131 VanDerWaalsContact O-CG 3.3Å; C127-L131 WeakPolarHBondContact O-CG 3.19Å; C127-L131 PolarHBondContact O-N 2.01Å; C127-L131 VanDerWaalsContact SG-CD1 3.58Å; L131-W134 PolarHBondContact O-N 3.07Å; L131-G135 PolarHBondContact O-N 2.83Å; L131-I136 HydrophobicContact CD2-CD1 4.46Å; L131-I136 PolarHBondContact O-N 3.39Å; L131-I136 VanDerWaalsContact O-N 3.12Å; L131-M141 HydrophobicContact CB-CE 3.53Å; L131-M141 HydrophobicContact CD1-CE 3.45Å; L131-M141 VanDerWaalsContact CD1-CE 3.45Å; L131-M141 HydrophobicContact CG-CE 4.14Å |
| 132 | T | 67.4 | Low | 65.8 | Low | 64 Ų | 64 | 113.7 Ų | 113.7 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 173.5 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | K128 V129 W134 G135 M141 | K128-T132 WeakPolarHBondContact O-CB 3.42Å; K128-T132 WeakPolarHBondContact O-CG2 3.38Å; K128-T132 PolarHBondContact O-N 3.31Å; K128-T132 PolarHBondContact O-OG1 3.11Å; V129-T132 WeakPolarHBondContact CA-OG1 3.28Å; V129-T132 PolarHBondContact O-OG1 2.88Å; T132-W134 VanDerWaalsContact C-N 3.34Å; T132-W134 PolarHBondContact O-N 3.47Å; T132-G135 PolarHBondContact O-N 3.47Å; T132-G135 VanDerWaalsContact O-N 3.14Å; T132-M141 HydrophobicContact CG2-SD 4.36Å |
| 133 | R | 70.9 | Confident | 64.4 | Low | 210 Ų | 210 | 114.2 Ų | 114.2 | 79% | 0.792 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.4 | -30.2 | 174.6 | -169.7 | 171.2 | -178 | 166.8 | 0.5 | 113.4 | V129 Y130 G135 | V129-R133 WeakPolarHBondContact O-CB 3.14Å; V129-R133 PolarHBondContact O-N 3.2Å; Y130-R133 PolarHBondContact O-N 3.39Å; R133-G135 VanDerWaalsContact C-N 3.25Å; R133-G135 PolarHBondContact O-N 3.22Å |
| 134 | W | 66.3 | Low | 62.9 | Low | 210 Ų | 210 | 118.4 Ų | 118.4 | 80% | 0.795 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 5.8 | 172.4 | -85.5 | 19.1 | 0 | 0 | 0 | 114 | Y130 L131 T132 I136 | Y130-W134 PolarHBondContact O-N 3.28Å; L131-W134 PolarHBondContact O-N 3.07Å; T132-W134 VanDerWaalsContact C-N 3.34Å; T132-W134 PolarHBondContact O-N 3.47Å; W134-I136 PolarHBondContact O-N 3.02Å |
| 135 | G | 62.2 | Low | 61.9 | Low | 61 Ų | 61 | 120.3 Ų | 120.3 | 63% | 0.629 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.2 | 10.3 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L131 T132 R133 Q137 | L131-G135 PolarHBondContact O-N 2.83Å; T132-G135 PolarHBondContact O-N 3.47Å; T132-G135 VanDerWaalsContact O-N 3.14Å; R133-G135 VanDerWaalsContact C-N 3.25Å; R133-G135 PolarHBondContact O-N 3.22Å; G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.06Å; G135-Q137 VanDerWaalsContact O-N 3.1Å |
| 136 | I | 63.1 | Low | 61.1 | Low | 84 Ų | 84 | 125.8 Ų | 125.8 | 43% | 0.431 | 59% | 0.592 | S | S | . | * | trans | -88.2 | 72 | 177.7 | -52.6 | 178 | 0 | 0 | 0 | 108.2 | L131 W134 G138 | L131-I136 HydrophobicContact CD2-CD1 4.46Å; L131-I136 PolarHBondContact O-N 3.39Å; L131-I136 VanDerWaalsContact O-N 3.12Å; W134-I136 PolarHBondContact O-N 3.02Å; I136-G138 PolarHBondContact O-N 2.89Å; I136-G138 VanDerWaalsContact O-N 3.08Å | ||
| 137 | Q | 60.2 | Low | 60.2 | Low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | trans | -79.4 | 84.1 | 170.6 | -79.5 | -166.1 | -14.7 | 0 | 0 | 110.2 | G135 | G135-Q137 VanDerWaalsContact C-N 3.29Å; G135-Q137 PolarHBondContact O-N 3.06Å; G135-Q137 VanDerWaalsContact O-N 3.1Å | ||
| 138 | G | 58.3 | Low | 59.3 | Low | 35 Ų | 35 | 144.4 Ų | 144.4 | 36% | 0.361 | 65% | 0.652 | S | S | . | * | trans | -72 | 135 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I136 W140 M141 | I136-G138 PolarHBondContact O-N 2.89Å; I136-G138 VanDerWaalsContact O-N 3.08Å; G138-W140 PolarHBondContact O-N 2.89Å; G138-M141 WeakPolarHBondContact O-CB 3.28Å; G138-M141 PolarHBondContact O-N 3.25Å | ||
| 139 | R | 55.2 | Low | 57.9 | Low | 240 Ų | 240 | 143.2 Ų | 143.2 | 91% | 0.906 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -56.1 | -22.3 | 174.8 | -160.8 | -175.9 | -75.6 | -149.7 | -0.6 | 112.9 | M141 | R139-M141 VanDerWaalsContact C-N 3.31Å; R139-M141 PolarHBondContact O-N 2.8Å |
| 140 | W | 59 | Low | 56.5 | Low | 201 Ų | 201 | 146.8 Ų | 146.8 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -70.3 | -17.5 | 174.1 | -175.4 | 79.7 | 0 | 0 | 0 | 114.3 | Y124 G138 K142 | Y124-W140 HydrophobicContact CE2-CH2 4.35Å; Y124-W140 HydrophobicContact CE2-CZ3 4.33Å; G138-W140 PolarHBondContact O-N 2.89Å; W140-K142 VanDerWaalsContact C-N 3.33Å |
| 141 | M | 56.1 | Low | 55.3 | Low | 36 Ų | 36 | 145.3 Ų | 145.3 | 18% | 0.177 | 69% | 0.689 | C | S | . | * | G | 310 helix | trans | -77 | -16.1 | 176.3 | -75.3 | -171 | 163.9 | 0 | 0 | 114.1 | K128 L131 T132 G138 R139 Q143 | K128-M141 HydrophobicContact CG-CE 4.32Å; K128-M141 HydrophobicContact CG-SD 4.34Å; L131-M141 HydrophobicContact CB-CE 3.53Å; L131-M141 HydrophobicContact CD1-CE 3.45Å; L131-M141 VanDerWaalsContact CD1-CE 3.45Å; L131-M141 HydrophobicContact CG-CE 4.14Å; T132-M141 HydrophobicContact CG2-SD 4.36Å; G138-M141 WeakPolarHBondContact O-CB 3.28Å; G138-M141 PolarHBondContact O-N 3.25Å; R139-M141 VanDerWaalsContact C-N 3.31Å; R139-M141 PolarHBondContact O-N 2.8Å; M141-Q143 PolarHBondContact O-N 2.89Å |
| 142 | K | 56.7 | Low | 54 | Low | 183 Ų | 183 | 147.2 Ų | 147.2 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | trans | -84.4 | 84.2 | 169.7 | -74 | -171 | 177.6 | -174.7 | 0 | 108 | W140 D144 | W140-K142 VanDerWaalsContact C-N 3.33Å; K142-D144 PolarHBondContact O-N 2.95Å | ||
| 143 | Q | 50.9 | Low | 53.1 | Low | 152 Ų | 152 | 156.1 Ų | 156.1 | 71% | 0.71 | 74% | 0.74 | S | S | * | * | trans | -69.9 | 113.8 | 159.5 | -85 | 174.6 | -30.7 | 0 | 0 | 107.6 | M141 P145 | M141-Q143 PolarHBondContact O-N 2.89Å; Q143-P145 WeakPolarHBondContact O-CD 3.35Å | ||
| 144 | D | 49.2 | Very low | 52.1 | Low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -58.7 | 122.2 | 166.1 | -86.6 | -49.8 | 0 | 0 | 0 | 108.6 | K142 R146 | K142-D144 PolarHBondContact O-N 2.95Å; D144-R146 PolarHBondContact O-N 2.9Å | ||
| 145 | P | 47.1 | Very low | 51.2 | Low | 124 Ų | 124 | 146.1 Ų | 146.1 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 1.4 | -176.9 | -20.8 | 31.5 | 0 | 0 | 0 | 115.1 | Q143 | Q143-P145 WeakPolarHBondContact O-CD 3.35Š|
| 146 | R | 49 | Very low | 50.5 | Low | 242 Ų | 242 | 154.4 Ų | 154.4 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 0.8 | -161.9 | -71.2 | -152.4 | -178.3 | -166.9 | 3.4 | 116.6 | D144 | D144-R146 PolarHBondContact O-N 2.9Š|
| 147 | R | 48.3 | Very low | 50.2 | Low | 238 Ų | 238 | 160 Ų | 160 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -110.2 | 1.4 | -170.8 | -137.1 | 179.7 | -175.6 | -156.3 | 0.2 | 117.2 | ||
| 148 | W | 49.9 | Very low | 49.7 | Very low | 262 Ų | 262 | 159.6 Ų | 159.6 | 99% | 0.992 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -131.7 | 93.8 | 175.8 | -135.9 | -77 | 0 | 0 | 0 | 111.6 | ||
| 149 | G | 39.1 | Very low | 49.2 | Very low | 61 Ų | 61 | 166.2 Ų | 166.2 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | trans | 146.8 | 75.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 150 | N | 38.8 | Very low | 48.9 | Very low | 166 Ų | 166 | 162.1 Ų | 162.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -113.3 | 91.4 | 144.8 | -106.1 | -26.1 | 0 | 0 | 0 | 106.3 | ||||
| 151 | P | 43.4 | Very low | 48.3 | Very low | 116 Ų | 116 | 159.8 Ų | 159.8 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -64.2 | 142.5 | 168.4 | 28.4 | -30.6 | 0 | 0 | 0 | 108.3 | R153 | P151-R153 PolarHBondContact O-N 3.19Š| ||
| 152 | A | 43.8 | Very low | 47.8 | Very low | 98 Ų | 98 | 167.5 Ų | 167.5 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | trans | -44.2 | 131.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A154 | A152-A154 PolarHBondContact O-N 2.91Š| ||
| 153 | R | 47.9 | Very low | 47.2 | Very low | 250 Ų | 250 | 166.5 Ų | 166.5 | 94% | 0.943 | 85% | 0.853 | S | S | * | * | trans | -66 | 96.1 | 167.1 | -166.3 | -179.1 | -130.6 | 161.9 | 1.3 | 107.8 | P151 | P151-R153 PolarHBondContact O-N 3.19Š| ||
| 154 | A | 49.5 | Very low | 47 | Very low | 81 Ų | 81 | 167.5 Ų | 167.5 | 67% | 0.669 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 133.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | A152 | A152-A154 PolarHBondContact O-N 2.91Š|
| 155 | P | 47.1 | Very low | 46.8 | Very low | 129 Ų | 129 | 169.5 Ų | 169.5 | 84% | 0.838 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 133.6 | 169.7 | 14 | -1.5 | 0 | 0 | 0 | 109.1 | ||
| 156 | R | 48.8 | Very low | 46.8 | Very low | 235 Ų | 235 | 173.3 Ų | 173.3 | 89% | 0.887 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 149.2 | 167.6 | -78.1 | -172.4 | -178.8 | 179.9 | 0.7 | 109.6 | ||
| 157 | P | 55.9 | Low | 46.6 | Very low | 201 Ų | 201 | 167 Ų | 167 | 100% | 1.305 | 87% | 0.874 | S | S | * | * | trans | -66.6 | 0 | -174.1 | 28.8 | -36.2 | 0 | 0 | 0 | 113.8 |
Retrieved 157 of 157 residues in 181 ms
(Link to these results)