| 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 | 85 | Confident | 94.2 | Very high | 125 Ų | 125 | 36 Ų | 36 | 62% | 0.616 | 18% | 0.177 | S | C | * | . | 0 | 158.4 | 0 | -66 | 178.3 | -136.5 | 0 | 0 | 107.6 | F143 T144 | M1-F143 HydrophobicContact CB-CD1 3.71Å; M1-F143 HydrophobicContact CB-CE1 3.63Å; M1-F143 HydrophobicContact SD-CE1 4.17Å; M1-T144 PolarHBondContact O-N 2.82Å; M1-T144 VanDerWaalsContact O-N 3.16Å | |||
| 2 | E | 90.7 | Very high | 94.6 | Very high | 70 Ų | 70 | 33 Ų | 33 | 33% | 0.327 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 140.3 | 175.6 | -62 | -177.8 | 175.6 | 0 | 0 | 109.6 | H4 V82 T144 M146 | E2-H4 IonicContact OE2-CD2 3.7Å; E2-H4 IonicContact OE2-CE1 3.89Å; E2-H4 IonicContact OE2-NE2 3.52Å; E2-H4 PolarHBondContact OE2-NE2 3.25Å; E2-V82 PolarHBondContact N-O 3.31Å; E2-V82 PolarHBondContact O-N 3.4Å; E2-T144 WeakPolarHBondContact CA-O 3.23Å; E2-M146 HydrophobicContact CB-CG 4.28Å; E2-M146 HydrophobicContact CG-CG 4.46Å |
| 3 | L | 93.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.6 | 168 | -176.5 | 79.1 | 0 | 0 | 0 | 107.7 | L79 V81 L139 F143 T144 L145 M146 | L3-L79 HydrophobicContact CD1-CB 4.26Å; L3-V81 HydrophobicContact CD1-CG2 3.67Å; L3-L139 HydrophobicContact CD2-CB 4.17Å; L3-L139 HydrophobicContact CD2-CD1 3.48Å; L3-L139 VanDerWaalsContact CD2-CD1 3.48Å; L3-L139 HydrophobicContact CD2-CG 4.48Å; L3-F143 HydrophobicContact CB-CB 3.84Å; L3-F143 HydrophobicContact CB-CD1 4.11Å; L3-F143 HydrophobicContact CB-CG 4.02Å; L3-T144 PolarHBondContact N-O 2.91Å; L3-L145 HydrophobicContact CB-CD2 3.98Å; L3-L145 HydrophobicContact CD2-CD2 3.8Å; L3-M146 PolarHBondContact O-N 2.95Å |
| 4 | H | 94.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 28.6 Ų | 28.6 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119 | -178.6 | -73.2 | -126.5 | 0 | 0 | 0 | 109.6 | E2 L6 L79 N80 M146 T153 | E2-H4 IonicContact OE2-CD2 3.7Å; E2-H4 IonicContact OE2-CE1 3.89Å; E2-H4 IonicContact OE2-NE2 3.52Å; E2-H4 PolarHBondContact OE2-NE2 3.25Å; H4-L6 HydrophobicContact CB-CD2 4.21Å; H4-L79 CarbonylContact O-C 3.55Å; H4-L79 WeakPolarHBondContact O-CA 3.13Å; H4-N80 PolarHBondContact N-O 3.19Å; H4-N80 PolarHBondContact O-N 2.76Å; H4-M146 WeakPolarHBondContact CA-O 3.43Å; H4-T153 VanDerWaalsContact CE1-CG2 3.44Å; H4-T153 WeakPolarHBondContact CE1-CG2 3.45Å |
| 5 | I | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 111 | 166.9 | -56.2 | 156.8 | 0 | 0 | 0 | 106.7 | L79 L132 M136 M146 R147 V148 A156 | I5-L79 HydrophobicContact CB-CD2 4.24Å; I5-L79 HydrophobicContact CG1-CD2 3.74Å; I5-L79 HydrophobicContact CG2-CD2 4.28Å; I5-L132 HydrophobicContact CD1-CD1 3.98Å; I5-L132 HydrophobicContact CG1-CD1 4.3Å; I5-L132 HydrophobicContact CG2-CD1 4.42Å; I5-M136 HydrophobicContact CD1-CG 4.24Å; I5-M136 HydrophobicContact CD1-SD 4.24Å; I5-M146 PolarHBondContact N-O 3.13Å; I5-R147 HydrophobicContact CB-CG 4.34Å; I5-R147 WeakPolarHBondContact O-CA 3.42Å; I5-V148 PolarHBondContact O-N 2.98Å; I5-A156 HydrophobicContact CD1-CB 4.22Å |
| 6 | L | 95.6 | Very high | 95.5 | Very high | 28 Ų | 28 | 26.5 Ų | 26.5 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 161.7 | -175.6 | -54 | -176.3 | 0 | 0 | 0 | 111.6 | H4 H8 A78 N80 F124 V148 | H4-L6 HydrophobicContact CB-CD2 4.21Å; L6-H8 PolarHBondContact O-N 3.4Å; L6-H8 VanDerWaalsContact O-N 3.14Å; L6-A78 HydrophobicContact CB-CB 4.31Å; L6-A78 WeakPolarHBondContact CB-O 3.49Å; L6-A78 HydrophobicContact CD1-CB 3.98Å; L6-A78 HydrophobicContact CG-CB 4.4Å; L6-A78 PolarHBondContact N-O 3.37Å; L6-N80 HydrophobicContact CD1-CB 4.41Å; L6-N80 HydrophobicContact CD2-CB 4.39Å; L6-F124 HydrophobicContact CD1-CD1 3.76Å; L6-F124 HydrophobicContact CD1-CE1 3.56Å; L6-V148 HydrophobicContact CD2-CG2 4.08Å |
| 7 | E | 93.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 27.9 Ų | 27.9 | 30% | 0.304 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 15.4 | -177.5 | 65.1 | 176.2 | -164.1 | 0 | 0 | 114.3 | K40 V148 N150 G151 | E7-K40 IonicContact OE1-NZ 2.83Å; E7-K40 PolarHBondContact OE1-NZ 3.09Å; E7-V148 HydrophobicContact CB-CB 4.42Å; E7-V148 HydrophobicContact CB-CG1 4.34Å; E7-V148 WeakPolarHBondContact CB-O 3.36Å; E7-V148 HydrophobicContact CG-CG1 4.17Å; E7-N150 VanDerWaalsContact OE2-CA 3.23Å; E7-N150 WeakPolarHBondContact OE2-CA 3.5Å; E7-N150 PolarHBondContact OE2-N 2.91Å; E7-G151 PolarHBondContact OE2-N 2.81Å |
| 8 | H | 94.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.4 | -176.1 | -52.9 | -65.4 | 0 | 0 | 0 | 112.1 | L6 L10 F41 E235 | L6-H8 PolarHBondContact O-N 3.4Å; L6-H8 VanDerWaalsContact O-N 3.14Å; H8-L10 HydrophobicContact CB-CD1 4.43Å; H8-L10 HydrophobicContact CB-CD2 3.7Å; H8-L10 HydrophobicContact CB-CG 3.93Å; H8-F41 HydrophobicContact CB-CD2 4.38Å; H8-F41 AromaticContact CD2-CD2 3.65Å; H8-F41 AromaticContact CG-CD2 3.93Å; H8-E235 IonicContact CE1-OE1 3.97Å; H8-E235 PolarHBondContact CE1-OE1 2.86Å; H8-E235 IonicContact NE2-OE1 3.99Å; H8-E235 PolarHBondContact NE2-OE1 2.98Å |
| 9 | S | 96.4 | Very high | 95.3 | Very high | 26 Ų | 26 | 32 Ų | 32 | 18% | 0.182 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 113.6 | 161.4 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | D56 E57 T75 | S9-D56 VanDerWaalsContact O-CA 3.27Å; S9-D56 WeakPolarHBondContact O-CA 3.38Å; S9-E57 WeakPolarHBondContact CB-OE1 3.39Å; S9-E57 PolarHBondContact O-N 2.7Å; S9-E57 PolarHBondContact OG-OE1 3.34Å; S9-T75 WeakPolarHBondContact OG-CG2 3.41Å |
| 10 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.3 | -168.5 | -59.1 | 177.8 | 0 | 0 | 0 | 112 | H8 F41 I54 V55 D56 W76 A78 L126 | H8-L10 HydrophobicContact CB-CD1 4.43Å; H8-L10 HydrophobicContact CB-CD2 3.7Å; H8-L10 HydrophobicContact CB-CG 3.93Å; L10-F41 HydrophobicContact CD1-CD1 4.12Å; L10-F41 HydrophobicContact CD1-CD2 4.24Å; L10-F41 HydrophobicContact CD1-CE1 3.91Å; L10-F41 HydrophobicContact CD1-CE2 4.01Å; L10-F41 HydrophobicContact CD1-CG 4.29Å; L10-F41 HydrophobicContact CD1-CZ 3.84Å; L10-F41 HydrophobicContact CD2-CB 3.67Å; L10-F41 HydrophobicContact CD2-CD1 3.57Å; L10-F41 HydrophobicContact CD2-CD2 4.07Å; L10-F41 HydrophobicContact CD2-CE1 4.21Å; L10-F41 HydrophobicContact CD2-CG 3.5Å; L10-F41 VanDerWaalsContact CD2-CG 3.5Å; L10-I54 HydrophobicContact CB-CG2 4.39Å; L10-I54 HydrophobicContact CD1-CG2 4.05Å; L10-V55 CarbonylContact C-O 3.4Å; L10-V55 WeakPolarHBondContact CA-O 3Å; L10-D56 HydrophobicContact CD2-CB 4Å; L10-W76 HydrophobicContact CB-CB 4.16Å; L10-W76 WeakPolarHBondContact CB-O 3.38Å; L10-W76 PolarHBondContact N-O 3.4Å; L10-W76 PolarHBondContact O-N 3.08Å; L10-A78 HydrophobicContact CD1-CB 3.91Å; L10-L126 HydrophobicContact CD1-CD1 4.32Å; L10-L126 HydrophobicContact CD1-CD2 3.77Å; L10-L126 HydrophobicContact CD1-CG 3.94Å |
| 11 | K | 98.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.6 | 166.1 | -63.8 | -56.1 | -172 | -176.8 | 0 | 109.4 | I54 V55 F60 T75 | K11-I54 WeakPolarHBondContact O-CA 3.36Å; K11-V55 PolarHBondContact N-O 2.83Å; K11-V55 PolarHBondContact O-N 2.68Å; K11-F60 HydrophobicContact CB-CD2 3.9Å; K11-F60 HydrophobicContact CB-CE2 4.35Å; K11-F60 HydrophobicContact CB-CG 4.29Å; K11-F60 HydrophobicContact CG-CB 4.42Å; K11-F60 HydrophobicContact CG-CD1 4.41Å; K11-F60 HydrophobicContact CG-CD2 4.13Å; K11-F60 HydrophobicContact CG-CG 4.05Å; K11-T75 PolarHBondContact NZ-OG1 2.87Å |
| 12 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.2 | 169.4 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | T52 L53 I54 A72 W76 F115 L126 F276 F302 | V12-T52 HydrophobicContact CG1-CG2 4.47Å; V12-L53 CarbonylContact C-O 3.48Å; V12-L53 VanDerWaalsContact CA-O 3.31Å; V12-L53 WeakPolarHBondContact CA-O 3.47Å; V12-I54 HydrophobicContact CG2-CG1 4.48Å; V12-A72 HydrophobicContact CB-CB 4.15Å; V12-A72 WeakPolarHBondContact O-CB 3.48Å; V12-A72 PolarHBondContact O-N 2.9Å; V12-W76 HydrophobicContact CG2-CD2 4.48Å; V12-W76 HydrophobicContact CG2-CG 4.16Å; V12-F115 HydrophobicContact CG1-CE1 4.34Å; V12-F115 HydrophobicContact CG1-CE2 4.3Å; V12-F115 HydrophobicContact CG1-CZ 3.98Å; V12-L126 HydrophobicContact CG2-CD2 4.37Å; V12-F276 HydrophobicContact CB-CE1 4.48Å; V12-F276 HydrophobicContact CG1-CE1 3.89Å; V12-F276 HydrophobicContact CG1-CZ 4.23Å; V12-F302 HydrophobicContact CG1-CD2 4.2Å |
| 13 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 164.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T52 L53 L69 S70 V71 | A13-T52 CarbonylContact O-C 3.59Å; A13-T52 WeakPolarHBondContact O-CA 3.39Å; A13-L53 HydrophobicContact CB-CB 4.26Å; A13-L53 PolarHBondContact N-O 3.31Å; A13-L53 PolarHBondContact O-N 2.98Å; A13-L69 HydrophobicContact CB-CD1 3.97Å; A13-S70 CarbonylContact C-O 3.37Å; A13-S70 WeakPolarHBondContact CA-O 3.42Å; A13-S70 WeakPolarHBondContact CB-O 3.31Å; A13-V71 HydrophobicContact CB-CG2 4.14Å |
| 14 | S | 98.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.1 | 175.8 | 166.9 | 0 | 0 | 0 | 0 | 109.2 | D50 Y51 L69 S70 F302 | S14-D50 WeakPolarHBondContact OG-CB 3.46Å; S14-D50 PolarHBondContact OG-OD2 2.68Å; S14-Y51 CarbonylContact C-O 3.59Å; S14-Y51 WeakPolarHBondContact CA-O 3.49Å; S14-L69 WeakPolarHBondContact O-CA 3.48Å; S14-S70 PolarHBondContact N-O 3.17Å; S14-S70 PolarHBondContact O-N 3Å; S14-F302 VanDerWaalsContact CB-CD2 3.47Å |
| 15 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.9 | 172 | -58.7 | 162.3 | 0 | 0 | 0 | 107.8 | C23 L27 D50 Y51 L53 H68 L69 | I15-C23 HydrophobicContact CD1-CB 3.64Å; I15-C23 HydrophobicContact CG1-CB 4.5Å; I15-C23 HydrophobicContact CG2-CB 4.49Å; I15-L27 HydrophobicContact CD1-CD1 4.07Å; I15-L27 HydrophobicContact CD1-CD2 4.39Å; I15-D50 WeakPolarHBondContact O-CB 3.43Å; I15-Y51 PolarHBondContact N-O 3.5Å; I15-Y51 PolarHBondContact O-N 2.94Å; I15-L53 HydrophobicContact CD1-CD1 3.49Å; I15-L53 VanDerWaalsContact CD1-CD1 3.49Å; I15-L53 HydrophobicContact CD1-CG 4.22Å; I15-L53 HydrophobicContact CG1-CD1 4.11Å; I15-H68 WeakPolarHBondContact CA-O 3.42Å; I15-L69 HydrophobicContact CG1-CD1 3.61Å |
| 16 | A | 97.3 | Very high | 96.4 | Very high | 23 Ų | 23 | 39 Ų | 39 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 147.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E18 G19 I20 H68 | A16-E18 VanDerWaalsContact C-N 3.26Å; A16-E18 HydrophobicContact CB-CG 4.29Å; A16-E18 PolarHBondContact O-N 3.47Å; A16-G19 WeakPolarHBondContact O-CA 3.3Å; A16-G19 PolarHBondContact O-N 3.24Å; A16-I20 PolarHBondContact O-N 3.11Å; A16-H68 HydrophobicContact CB-CB 4.18Å; A16-H68 PolarHBondContact N-O 3.32Å |
| 17 | K | 94.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 22% | 0.222 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -54.9 | -42.2 | -174 | -73.7 | -60.9 | -166 | -177.9 | 0 | 113.2 | G19 I20 E46 T47 P48 D50 Y51 | K17-G19 VanDerWaalsContact C-N 3.26Å; K17-G19 PolarHBondContact O-N 2.65Å; K17-I20 WeakPolarHBondContact O-CG2 3.42Å; K17-I20 PolarHBondContact O-N 3Å; K17-E46 VanDerWaalsContact NZ-CD 3.31Å; K17-E46 IonicContact NZ-OE1 3.05Å; K17-E46 PolarHBondContact NZ-OE1 2.94Å; K17-T47 WeakPolarHBondContact CE-O 3.44Å; K17-T47 PolarHBondContact NZ-O 2.85Å; K17-P48 WeakPolarHBondContact CE-O 3.34Å; K17-D50 PolarHBondContact NZ-O 2.98Å; K17-Y51 HydrophobicContact CD-CD2 3.98Å; K17-Y51 HydrophobicContact CD-CE2 3.46Å; K17-Y51 VanDerWaalsContact CD-CE2 3.46Å |
| 18 | E | 93.6 | Very high | 96.8 | Very high | 133 Ų | 133 | 36.9 Ų | 36.9 | 62% | 0.621 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -66.1 | -24.8 | 176.6 | 58.5 | -91.3 | -141.9 | 0 | 0 | 113.4 | A16 | A16-E18 VanDerWaalsContact C-N 3.26Å; A16-E18 HydrophobicContact CB-CG 4.29Å; A16-E18 PolarHBondContact O-N 3.47Å |
| 19 | G | 94.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -85.2 | -7.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A16 K17 Q21 I22 C23 | A16-G19 WeakPolarHBondContact O-CA 3.3Å; A16-G19 PolarHBondContact O-N 3.24Å; K17-G19 VanDerWaalsContact C-N 3.26Å; K17-G19 PolarHBondContact O-N 2.65Å; G19-Q21 PolarHBondContact O-N 3.12Å; G19-Q21 VanDerWaalsContact O-N 3.15Å; G19-I22 PolarHBondContact O-N 3.06Å; G19-I22 VanDerWaalsContact O-N 3.09Å; G19-C23 PolarHBondContact O-N 3.2Å |
| 20 | I | 95.1 | Very high | 97 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -34.5 | -173.3 | -167.2 | 57.9 | 0 | 0 | 0 | 112.9 | A16 K17 I22 C23 T24 L27 Y51 F208 | A16-I20 PolarHBondContact O-N 3.11Å; K17-I20 WeakPolarHBondContact O-CG2 3.42Å; K17-I20 PolarHBondContact O-N 3Å; I20-I22 VanDerWaalsContact C-N 3.3Å; I20-I22 PolarHBondContact O-N 3.47Å; I20-C23 PolarHBondContact O-N 3.19Å; I20-T24 PolarHBondContact O-N 2.84Å; I20-T24 PolarHBondContact O-OG1 3.17Å; I20-L27 HydrophobicContact CD1-CD1 3.43Å; I20-L27 VanDerWaalsContact CD1-CD1 3.43Å; I20-Y51 HydrophobicContact CB-CD2 4.18Å; I20-Y51 HydrophobicContact CB-CE2 3.68Å; I20-Y51 HydrophobicContact CD1-CD1 4.07Å; I20-Y51 HydrophobicContact CD1-CD2 3.69Å; I20-Y51 HydrophobicContact CD1-CE1 4.13Å; I20-Y51 HydrophobicContact CD1-CE2 3.74Å; I20-Y51 HydrophobicContact CD1-CG 3.85Å; I20-Y51 HydrophobicContact CG1-CD2 4.09Å; I20-Y51 HydrophobicContact CG1-CE1 4.33Å; I20-Y51 HydrophobicContact CG1-CE2 3.62Å; I20-Y51 HydrophobicContact CG2-CE2 4.3Å; I20-F208 HydrophobicContact CD1-CD1 4.07Å; I20-F208 HydrophobicContact CD1-CE1 4.19Å; I20-F208 HydrophobicContact CG1-CD1 3.87Å; I20-F208 HydrophobicContact CG1-CE1 4.47Å |
| 21 | Q | 94.4 | Very high | 97 | Very high | 162 Ų | 162 | 37.3 Ų | 37.3 | 76% | 0.757 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.4 | -39.4 | -179.5 | -62.3 | -178.2 | -4.2 | 0 | 0 | 111.8 | G19 C23 T24 | G19-Q21 PolarHBondContact O-N 3.12Å; G19-Q21 VanDerWaalsContact O-N 3.15Å; Q21-C23 VanDerWaalsContact C-N 3.33Å; Q21-T24 WeakPolarHBondContact CA-OG1 3.36Å; Q21-T24 WeakPolarHBondContact O-CB 3.4Å; Q21-T24 PolarHBondContact O-N 2.97Å; Q21-T24 PolarHBondContact O-OG1 3.38Å |
| 22 | I | 95.9 | Very high | 96.9 | Very high | 93 Ų | 93 | 36.7 Ų | 36.7 | 48% | 0.477 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71.2 | -34.2 | -178.6 | -57.5 | 168.1 | 0 | 0 | 0 | 110.1 | G19 I20 P64 | G19-I22 PolarHBondContact O-N 3.06Å; G19-I22 VanDerWaalsContact O-N 3.09Å; I20-I22 VanDerWaalsContact C-N 3.3Å; I20-I22 PolarHBondContact O-N 3.47Å; I22-P64 HydrophobicContact CG2-CB 4.48Å; I22-P64 HydrophobicContact CG2-CG 3.89Å |
| 23 | C | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -84.3 | -12.6 | 178.9 | -62 | 0 | 0 | 0 | 0 | 113.9 | I15 G19 I20 Q21 H25 G26 L27 | I15-C23 HydrophobicContact CD1-CB 3.64Å; I15-C23 HydrophobicContact CG1-CB 4.5Å; I15-C23 HydrophobicContact CG2-CB 4.49Å; G19-C23 PolarHBondContact O-N 3.2Å; I20-C23 PolarHBondContact O-N 3.19Å; Q21-C23 VanDerWaalsContact C-N 3.33Å; C23-H25 VanDerWaalsContact C-N 3.31Å; C23-H25 PolarHBondContact O-N 2.86Å; C23-G26 PolarHBondContact O-N 3.15Å; C23-L27 HydrophobicContact CB-CD1 4.02Å; C23-L27 HydrophobicContact CB-CG 4.23Å; C23-L27 WeakPolarHBondContact O-CG 3.34Å; C23-L27 PolarHBondContact O-N 3.4Å |
| 24 | T | 96.9 | Very high | 96.3 | Very high | 24 Ų | 24 | 44.4 Ų | 44.4 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -40.2 | -169.7 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | I20 Q21 G26 L27 I28 | I20-T24 PolarHBondContact O-N 2.84Å; I20-T24 PolarHBondContact O-OG1 3.17Å; Q21-T24 WeakPolarHBondContact CA-OG1 3.36Å; Q21-T24 WeakPolarHBondContact O-CB 3.4Å; Q21-T24 PolarHBondContact O-N 2.97Å; Q21-T24 PolarHBondContact O-OG1 3.38Å; T24-G26 PolarHBondContact O-N 2.97Å; T24-L27 PolarHBondContact O-N 3.19Å; T24-I28 HydrophobicContact CG2-CD1 3.73Å; T24-I28 HydrophobicContact CG2-CG1 4.17Å; T24-I28 WeakPolarHBondContact O-CB 3.46Å; T24-I28 WeakPolarHBondContact O-CG1 3.44Å; T24-I28 PolarHBondContact O-N 2.93Å |
| 25 | H | 97.5 | Very high | 96 | Very high | 139 Ų | 139 | 49.1 Ų | 49.1 | 64% | 0.644 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.5 | -46.3 | 177.9 | 173.3 | -89.5 | 0 | 0 | 0 | 112.3 | C23 K29 | C23-H25 VanDerWaalsContact C-N 3.31Å; C23-H25 PolarHBondContact O-N 2.86Å; H25-K29 PolarHBondContact O-N 3.44Å; H25-K29 VanDerWaalsContact O-N 3.17Å |
| 26 | G | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C23 T24 I28 K29 L30 E62 | C23-G26 PolarHBondContact O-N 3.15Å; T24-G26 PolarHBondContact O-N 2.97Å; G26-I28 PolarHBondContact O-N 3.2Å; G26-K29 WeakPolarHBondContact O-CB 3.43Å; G26-K29 PolarHBondContact O-N 2.74Å; G26-K29 VanDerWaalsContact O-N 3.1Å; G26-L30 WeakPolarHBondContact O-CG 3.22Å; G26-L30 PolarHBondContact O-N 2.85Å; G26-E62 WeakPolarHBondContact CA-O 3.31Å |
| 27 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | -179.7 | -63.3 | 178 | 0 | 0 | 0 | 112.9 | I15 I20 C23 T24 K29 L30 A31 F42 L44 L53 L63 F208 | I15-L27 HydrophobicContact CD1-CD1 4.07Å; I15-L27 HydrophobicContact CD1-CD2 4.39Å; I20-L27 HydrophobicContact CD1-CD1 3.43Å; I20-L27 VanDerWaalsContact CD1-CD1 3.43Å; C23-L27 HydrophobicContact CB-CD1 4.02Å; C23-L27 HydrophobicContact CB-CG 4.23Å; C23-L27 WeakPolarHBondContact O-CG 3.34Å; C23-L27 PolarHBondContact O-N 3.4Å; T24-L27 PolarHBondContact O-N 3.19Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.48Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-A31 VanDerWaalsContact O-CB 3.28Å; L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 2.8Å; L27-F42 HydrophobicContact CD2-CE2 4.07Å; L27-F42 HydrophobicContact CD2-CZ 4.22Å; L27-L44 HydrophobicContact CD1-CD1 4.42Å; L27-L44 HydrophobicContact CD2-CD1 4.29Å; L27-L53 HydrophobicContact CD2-CD1 4.13Å; L27-L53 HydrophobicContact CD2-CD2 3.81Å; L27-L63 HydrophobicContact CD2-CD2 4.09Å; L27-F208 HydrophobicContact CB-CE1 4.07Å; L27-F208 HydrophobicContact CB-CZ 3.9Å; L27-F208 HydrophobicContact CD1-CE1 3.77Å; L27-F208 HydrophobicContact CD1-CZ 4.45Å |
| 28 | I | 97.9 | Very high | 96 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.4 | -74.9 | 177.7 | 0 | 0 | 0 | 110.7 | T24 G26 F32 M204 F208 | T24-I28 HydrophobicContact CG2-CD1 3.73Å; T24-I28 HydrophobicContact CG2-CG1 4.17Å; T24-I28 WeakPolarHBondContact O-CB 3.46Å; T24-I28 WeakPolarHBondContact O-CG1 3.44Å; T24-I28 PolarHBondContact O-N 2.93Å; G26-I28 PolarHBondContact O-N 3.2Å; I28-F32 HydrophobicContact CB-CD2 4.4Å; I28-F32 HydrophobicContact CG1-CD2 4.41Å; I28-F32 HydrophobicContact CG2-CD2 4.21Å; I28-F32 PolarHBondContact O-N 3.25Å; I28-M204 HydrophobicContact CD1-CE 4.34Å; I28-M204 HydrophobicContact CD1-SD 4.39Å; I28-M204 HydrophobicContact CG1-CE 4.35Å; I28-M204 HydrophobicContact CG2-CE 4.15Å; I28-F208 HydrophobicContact CG1-CE2 4.04Å |
| 29 | K | 97.8 | Very high | 96.2 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 19% | 0.191 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 178.1 | -167.9 | -169.4 | -70.3 | 177.8 | 0 | 111.2 | H25 G26 L27 L33 K36 E62 | H25-K29 PolarHBondContact O-N 3.44Å; H25-K29 VanDerWaalsContact O-N 3.17Å; G26-K29 WeakPolarHBondContact O-CB 3.43Å; G26-K29 PolarHBondContact O-N 2.74Å; G26-K29 VanDerWaalsContact O-N 3.1Å; L27-K29 VanDerWaalsContact C-N 3.32Å; L27-K29 PolarHBondContact O-N 3.48Å; K29-L33 HydrophobicContact CG-CB 4.31Å; K29-L33 CarbonylContact O-C 3.54Å; K29-L33 WeakPolarHBondContact O-CA 3.48Å; K29-L33 WeakPolarHBondContact O-CB 3.49Å; K29-L33 PolarHBondContact O-N 2.63Å; K29-L33 VanDerWaalsContact O-N 3.11Å; K29-K36 HydrophobicContact CD-CB 4.17Å; K29-K36 HydrophobicContact CG-CB 3.88Å; K29-E62 HydrophobicContact CD-CG 4.29Å; K29-E62 VanDerWaalsContact CD-OE2 3.31Å; K29-E62 WeakPolarHBondContact CD-OE2 3.3Å; K29-E62 WeakPolarHBondContact CE-OE2 3.36Å; K29-E62 IonicContact NZ-OE1 3.41Å; K29-E62 IonicContact NZ-OE2 2.76Å; K29-E62 PolarHBondContact NZ-OE2 2.87Å |
| 30 | L | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 178.8 | -65.4 | 171.2 | 0 | 0 | 0 | 112.4 | G26 L27 T37 C39 F42 V55 G59 E62 L63 | G26-L30 WeakPolarHBondContact O-CG 3.22Å; G26-L30 PolarHBondContact O-N 2.85Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-T37 HydrophobicContact CD2-CG2 4.37Å; L30-C39 HydrophobicContact CD2-CB 3.75Å; L30-F42 HydrophobicContact CB-CD1 4.18Å; L30-F42 HydrophobicContact CB-CD2 3.87Å; L30-F42 HydrophobicContact CB-CE1 4.22Å; L30-F42 HydrophobicContact CB-CE2 3.9Å; L30-F42 HydrophobicContact CB-CG 4.01Å; L30-F42 HydrophobicContact CB-CZ 4.08Å; L30-F42 HydrophobicContact CD1-CD2 3.81Å; L30-F42 HydrophobicContact CD1-CE2 3.74Å; L30-F42 HydrophobicContact CG-CD2 4.37Å; L30-F42 HydrophobicContact CG-CE2 4.46Å; L30-V55 HydrophobicContact CD1-CG2 4.45Å; L30-G59 VanDerWaalsContact CD2-CA 3.47Å; L30-E62 HydrophobicContact CD1-CB 4.45Å; L30-E62 HydrophobicContact CD2-CB 4.17Å; L30-E62 HydrophobicContact CD2-CG 3.95Å; L30-E62 HydrophobicContact CG-CB 4.26Å; L30-E62 HydrophobicContact CG-CG 4.5Å; L30-L63 HydrophobicContact CD1-CD2 4.35Å |
| 31 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -79 | -38.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L27 F42 L196 M207 F231 | L27-A31 VanDerWaalsContact O-CB 3.28Å; L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 2.8Å; A31-F42 HydrophobicContact CB-CE1 3.84Å; A31-L196 WeakPolarHBondContact O-CD2 3.35Å; A31-M207 HydrophobicContact CB-CE 4.15Å; A31-F231 HydrophobicContact CB-CE1 4.03Å; A31-F231 HydrophobicContact CB-CZ 4.33Å |
| 32 | F | 97.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -121.4 | -10.9 | -165.8 | -54.9 | -72.1 | 0 | 0 | 0 | 114.6 | I28 P34 L196 A200 L203 M204 M207 | I28-F32 HydrophobicContact CB-CD2 4.4Å; I28-F32 HydrophobicContact CG1-CD2 4.41Å; I28-F32 HydrophobicContact CG2-CD2 4.21Å; I28-F32 PolarHBondContact O-N 3.25Å; F32-P34 WeakPolarHBondContact O-CD 3.42Å; F32-L196 HydrophobicContact CD1-CD1 4.07Å; F32-L196 HydrophobicContact CD1-CD2 4.16Å; F32-L196 HydrophobicContact CD1-CG 4.09Å; F32-L196 HydrophobicContact CE1-CD1 3.99Å; F32-A200 HydrophobicContact CD1-CB 3.98Å; F32-A200 HydrophobicContact CE1-CB 4.1Å; F32-L203 HydrophobicContact CE1-CB 3.91Å; F32-L203 HydrophobicContact CE1-CD1 4.05Å; F32-L203 HydrophobicContact CZ-CB 3.82Å; F32-M204 HydrophobicContact CD2-CE 3.52Å; F32-M204 HydrophobicContact CD2-CG 4.38Å; F32-M204 HydrophobicContact CE2-CE 3.76Å; F32-M204 HydrophobicContact CE2-CG 3.64Å; F32-M204 HydrophobicContact CG-CE 3.97Å; F32-M204 HydrophobicContact CZ-CE 4.38Å; F32-M204 HydrophobicContact CZ-CG 3.9Å; F32-M207 HydrophobicContact CE2-SD 4.27Å; F32-M207 HydrophobicContact CZ-SD 3.86Å |
| 33 | L | 96.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 48.3 Ų | 48.3 | 41% | 0.408 | 24% | 0.241 | S | C | . | . | trans | -124.6 | 60.7 | -175.9 | -54.4 | 176.1 | 0 | 0 | 0 | 111.4 | K29 S35 K36 | K29-L33 HydrophobicContact CG-CB 4.31Å; K29-L33 CarbonylContact O-C 3.54Å; K29-L33 WeakPolarHBondContact O-CA 3.48Å; K29-L33 WeakPolarHBondContact O-CB 3.49Å; K29-L33 PolarHBondContact O-N 2.63Å; K29-L33 VanDerWaalsContact O-N 3.11Å; L33-S35 PolarHBondContact O-N 3.21Å; L33-K36 HydrophobicContact CB-CB 3.99Å; L33-K36 HydrophobicContact CB-CG 3.87Å; L33-K36 HydrophobicContact CD1-CG 4.46Å; L33-K36 WeakPolarHBondContact O-CA 3.38Å; L33-K36 WeakPolarHBondContact O-CB 3.48Å; L33-K36 PolarHBondContact O-N 2.82Å | ||
| 34 | P | 89.2 | Confident | 96.9 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -58.6 | -27.1 | -176.3 | 24.1 | -34.5 | 0 | 0 | 0 | 112.9 | F32 K36 | F32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-K36 PolarHBondContact O-N 3.18Å |
| 35 | S | 92.3 | Very high | 97 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 73% | 0.727 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -71.7 | -7.3 | 174.4 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | L33 | L33-S35 PolarHBondContact O-N 3.21Š|
| 36 | K | 96.5 | Very high | 97.1 | Very high | 140 Ų | 140 | 41 Ų | 41 | 61% | 0.609 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -108 | -0.4 | -176.8 | -59.6 | -58.2 | -177.2 | -173.9 | 0 | 113.5 | K29 L33 P34 | K29-K36 HydrophobicContact CD-CB 4.17Å; K29-K36 HydrophobicContact CG-CB 3.88Å; L33-K36 HydrophobicContact CB-CB 3.99Å; L33-K36 HydrophobicContact CB-CG 3.87Å; L33-K36 HydrophobicContact CD1-CG 4.46Å; L33-K36 WeakPolarHBondContact O-CA 3.38Å; L33-K36 WeakPolarHBondContact O-CB 3.48Å; L33-K36 PolarHBondContact O-N 2.82Å; P34-K36 PolarHBondContact O-N 3.18Å |
| 37 | T | 96.2 | Very high | 97 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.135 | 21% | 0.205 | C | C | . | . | trans | -138.6 | 160.7 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | L30 C39 | L30-T37 HydrophobicContact CD2-CG2 4.37Å; T37-C39 HydrophobicContact CG2-CB 3.89Å; T37-C39 WeakPolarHBondContact OG1-CB 3.44Å; T37-C39 PolarHBondContact OG1-N 3.14Å; T37-C39 VanDerWaalsContact OG1-N 3.14Å | ||
| 38 | R | 96.4 | Very high | 96.9 | Very high | 179 Ų | 179 | 43.7 Ų | 43.7 | 68% | 0.675 | 22% | 0.223 | S | C | * | . | trans | -97.7 | 3.9 | 170.1 | -62.5 | -171.3 | -63.1 | -179.4 | 0.9 | 112.5 | K40 E58 | R38-K40 PolarHBondContact O-N 3.2Å; R38-E58 HydrophobicContact CB-CB 4.05Å; R38-E58 HydrophobicContact CB-CG 3.99Å; R38-E58 IonicContact CZ-OE1 3.57Å; R38-E58 IonicContact CZ-OE2 3.54Å; R38-E58 IonicContact NE-OE2 2.64Å; R38-E58 PolarHBondContact NE-OE2 3.34Å; R38-E58 IonicContact NH2-OE1 3.11Å; R38-E58 PolarHBondContact NH2-OE1 2.99Å; R38-E58 VanDerWaalsContact NH2-OE1 3.11Å; R38-E58 IonicContact NH2-OE2 2.68Å; R38-E58 PolarHBondContact NH2-OE2 2.85Å | ||
| 39 | C | 98.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | trans | -57.8 | 127.2 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | L30 T37 F41 D56 | L30-C39 HydrophobicContact CD2-CB 3.75Å; T37-C39 HydrophobicContact CG2-CB 3.89Å; T37-C39 WeakPolarHBondContact OG1-CB 3.44Å; T37-C39 PolarHBondContact OG1-N 3.14Å; T37-C39 VanDerWaalsContact OG1-N 3.14Å; C39-F41 PolarHBondContact SG-O 2.82Å; C39-F41 VanDerWaalsContact SG-O 3.34Å; C39-D56 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 40 | K | 97.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 41.9 Ų | 41.9 | 40% | 0.404 | 21% | 0.214 | S | C | . | . | trans | -113.7 | -16.3 | 173.7 | -61.1 | -168.8 | -174.5 | -179 | 0 | 112.7 | E7 R38 D56 I234 E235 | E7-K40 IonicContact OE1-NZ 2.83Å; E7-K40 PolarHBondContact OE1-NZ 3.09Å; R38-K40 PolarHBondContact O-N 3.2Å; K40-D56 PolarHBondContact N-OD2 2.8Å; K40-I234 CarbonylContact O-C 3.58Å; K40-I234 WeakPolarHBondContact O-CA 3.45Å; K40-E235 VanDerWaalsContact CD-OE1 3.27Å; K40-E235 WeakPolarHBondContact CD-OE1 3.32Å; K40-E235 IonicContact NZ-OE1 2.77Å; K40-E235 PolarHBondContact O-N 3.19Å | ||
| 41 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 106.8 | 176.9 | -162.3 | -66.9 | 0 | 0 | 0 | 109.5 | H8 L10 C39 I54 V55 D56 A78 L117 F124 I234 | H8-F41 HydrophobicContact CB-CD2 4.38Å; H8-F41 AromaticContact CD2-CD2 3.65Å; H8-F41 AromaticContact CG-CD2 3.93Å; L10-F41 HydrophobicContact CD1-CD1 4.12Å; L10-F41 HydrophobicContact CD1-CD2 4.24Å; L10-F41 HydrophobicContact CD1-CE1 3.91Å; L10-F41 HydrophobicContact CD1-CE2 4.01Å; L10-F41 HydrophobicContact CD1-CG 4.29Å; L10-F41 HydrophobicContact CD1-CZ 3.84Å; L10-F41 HydrophobicContact CD2-CB 3.67Å; L10-F41 HydrophobicContact CD2-CD1 3.57Å; L10-F41 HydrophobicContact CD2-CD2 4.07Å; L10-F41 HydrophobicContact CD2-CE1 4.21Å; L10-F41 HydrophobicContact CD2-CG 3.5Å; L10-F41 VanDerWaalsContact CD2-CG 3.5Å; C39-F41 PolarHBondContact SG-O 2.82Å; C39-F41 VanDerWaalsContact SG-O 3.34Å; F41-I54 HydrophobicContact CD1-CG2 4.16Å; F41-I54 HydrophobicContact CE1-CB 4.18Å; F41-I54 HydrophobicContact CE1-CG2 3.57Å; F41-I54 HydrophobicContact CZ-CG2 4.43Å; F41-V55 CarbonylContact O-C 3.49Å; F41-V55 VanDerWaalsContact O-CA 3.26Å; F41-V55 WeakPolarHBondContact O-CA 3.27Å; F41-D56 HydrophobicContact CB-CB 4.19Å; F41-D56 PolarHBondContact N-OD2 2.96Å; F41-D56 PolarHBondContact O-N 3.37Å; F41-A78 HydrophobicContact CE2-CB 4.25Å; F41-L117 HydrophobicContact CE1-CD2 3.93Å; F41-L117 HydrophobicContact CZ-CD2 3.85Å; F41-F124 HydrophobicContact CE2-CD1 4.23Å; F41-F124 HydrophobicContact CE2-CD2 4.41Å; F41-F124 HydrophobicContact CE2-CE1 4.32Å; F41-F124 HydrophobicContact CE2-CG 4.27Å; F41-F124 HydrophobicContact CE2-CZ 4.45Å; F41-F124 HydrophobicContact CZ-CD2 4.31Å; F41-F124 HydrophobicContact CZ-CG 4.33Å; F41-I234 HydrophobicContact CD1-CD1 4.2Å; F41-I234 HydrophobicContact CD1-CG1 4.12Å; F41-I234 HydrophobicContact CD2-CB 4.47Å; F41-I234 HydrophobicContact CD2-CD1 4.27Å; F41-I234 HydrophobicContact CD2-CG1 4.16Å; F41-I234 HydrophobicContact CD2-CG2 3.51Å; F41-I234 HydrophobicContact CE1-CD1 3.75Å; F41-I234 HydrophobicContact CE1-CG1 4.19Å; F41-I234 HydrophobicContact CE2-CD1 3.85Å; F41-I234 HydrophobicContact CE2-CG1 4.25Å; F41-I234 HydrophobicContact CE2-CG2 3.8Å; F41-I234 HydrophobicContact CG-CD1 4.44Å; F41-I234 HydrophobicContact CG-CG1 4.1Å; F41-I234 HydrophobicContact CG-CG2 4.13Å; F41-I234 HydrophobicContact CZ-CD1 3.57Å; F41-I234 HydrophobicContact CZ-CG1 4.26Å |
| 42 | F | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.2 | 175.5 | 171 | -112.8 | 0 | 0 | 0 | 110.2 | L27 L30 A31 L44 L53 I54 V55 F231 S232 L233 | L27-F42 HydrophobicContact CD2-CE2 4.07Å; L27-F42 HydrophobicContact CD2-CZ 4.22Å; L30-F42 HydrophobicContact CB-CD1 4.18Å; L30-F42 HydrophobicContact CB-CD2 3.87Å; L30-F42 HydrophobicContact CB-CE1 4.22Å; L30-F42 HydrophobicContact CB-CE2 3.9Å; L30-F42 HydrophobicContact CB-CG 4.01Å; L30-F42 HydrophobicContact CB-CZ 4.08Å; L30-F42 HydrophobicContact CD1-CD2 3.81Å; L30-F42 HydrophobicContact CD1-CE2 3.74Å; L30-F42 HydrophobicContact CG-CD2 4.37Å; L30-F42 HydrophobicContact CG-CE2 4.46Å; A31-F42 HydrophobicContact CB-CE1 3.84Å; F42-L44 HydrophobicContact CE1-CB 4.43Å; F42-L44 HydrophobicContact CE2-CB 4.36Å; F42-L44 HydrophobicContact CZ-CB 3.85Å; F42-L53 HydrophobicContact CD2-CD2 4.42Å; F42-L53 HydrophobicContact CE2-CD2 3.64Å; F42-L53 HydrophobicContact CZ-CD2 4.4Å; F42-I54 CarbonylContact C-O 3.59Å; F42-V55 HydrophobicContact CD2-CG2 4.33Å; F42-F231 HydrophobicContact CD1-CD1 4.14Å; F42-F231 AromaticContact CD1-CE1 4Å; F42-F231 HydrophobicContact CD1-CE1 4Å; F42-F231 AromaticContact CE1-CD1 3.77Å; F42-F231 HydrophobicContact CE1-CD1 3.77Å; F42-F231 AromaticContact CE1-CE1 3.88Å; F42-F231 HydrophobicContact CE1-CE1 3.88Å; F42-S232 CarbonylContact O-C 3.51Å; F42-S232 VanDerWaalsContact O-CA 3.28Å; F42-S232 WeakPolarHBondContact O-CA 3.36Å; F42-L233 HydrophobicContact CD1-CB 4.46Å; F42-L233 PolarHBondContact N-O 3.05Å; F42-L233 CarbonylContact O-C 3.4Å; F42-L233 PolarHBondContact O-N 2.99Å |
| 43 | S | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133.6 | 169.7 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | L53 I54 F231 S232 | S43-L53 CarbonylContact O-C 3.53Å; S43-L53 VanDerWaalsContact O-CA 3.3Å; S43-L53 WeakPolarHBondContact O-CA 3.47Å; S43-I54 PolarHBondContact N-O 3.17Å; S43-I54 PolarHBondContact O-N 3.25Å; S43-F231 CarbonylContact C-O 3.59Å; S43-F231 WeakPolarHBondContact CA-O 3.14Å; S43-S232 WeakPolarHBondContact CB-OG 3.28Å; S43-S232 PolarHBondContact OG-OG 3.41Å |
| 44 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.3 | 173.5 | 178.7 | 81.4 | 0 | 0 | 0 | 107.8 | L27 F42 Y51 T52 L53 M207 S230 F231 | L27-L44 HydrophobicContact CD1-CD1 4.42Å; L27-L44 HydrophobicContact CD2-CD1 4.29Å; F42-L44 HydrophobicContact CE1-CB 4.43Å; F42-L44 HydrophobicContact CE2-CB 4.36Å; F42-L44 HydrophobicContact CZ-CB 3.85Å; L44-Y51 HydrophobicContact CD1-CD1 4.19Å; L44-Y51 HydrophobicContact CD1-CG 4.45Å; L44-Y51 HydrophobicContact CD2-CD1 4.42Å; L44-Y51 HydrophobicContact CG-CD1 4.46Å; L44-T52 CarbonylContact C-O 3.57Å; L44-T52 WeakPolarHBondContact CA-O 3.22Å; L44-L53 HydrophobicContact CB-CD2 4.06Å; L44-L53 HydrophobicContact CD1-CD2 3.38Å; L44-L53 HydrophobicContact CD1-CG 4.06Å; L44-L53 HydrophobicContact CG-CD2 4.34Å; L44-M207 HydrophobicContact CD2-CE 3.36Å; L44-M207 HydrophobicContact CD2-CG 4.47Å; L44-S230 CarbonylContact O-C 3.58Å; L44-S230 WeakPolarHBondContact O-CA 3.49Å; L44-F231 PolarHBondContact N-O 2.94Å; L44-F231 PolarHBondContact O-N 2.89Å |
| 45 | T | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.5 | 171.8 | -58.4 | 0 | 0 | 0 | 0 | 110 | T47 Y51 T52 F228 F229 S230 I299 T301 | T45-T47 HydrophobicContact CG2-CG2 4.44Å; T45-Y51 CarbonylContact O-C 3.56Å; T45-Y51 WeakPolarHBondContact O-CA 3.47Å; T45-T52 PolarHBondContact N-O 3.01Å; T45-T52 PolarHBondContact O-N 3.49Å; T45-F228 HydrophobicContact CG2-CD2 4.36Å; T45-F228 HydrophobicContact CG2-CE1 4.29Å; T45-F228 HydrophobicContact CG2-CE2 3.68Å; T45-F228 HydrophobicContact CG2-CZ 3.63Å; T45-F229 CarbonylContact C-O 3.56Å; T45-F229 WeakPolarHBondContact CA-O 3.18Å; T45-S230 PolarHBondContact OG1-OG 3.1Å; T45-I299 HydrophobicContact CG2-CG2 4.35Å; T45-T301 HydrophobicContact CG2-CG2 3.73Å |
| 46 | E | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.9 | 170.3 | -169.7 | -172.9 | 179.1 | 0 | 0 | 110.5 | K17 Y51 R227 F228 F229 | K17-E46 VanDerWaalsContact NZ-CD 3.31Å; K17-E46 IonicContact NZ-OE1 3.05Å; K17-E46 PolarHBondContact NZ-OE1 2.94Å; E46-Y51 HydrophobicContact CB-CD1 3.8Å; E46-Y51 HydrophobicContact CB-CE1 3.81Å; E46-Y51 HydrophobicContact CG-CD1 3.75Å; E46-Y51 HydrophobicContact CG-CE1 3.4Å; E46-Y51 VanDerWaalsContact CG-CE1 3.4Å; E46-Y51 PolarHBondContact OE1-OH 2.91Å; E46-R227 VanDerWaalsContact CD-NE 3.34Å; E46-R227 HydrophobicContact CG-CG 4.42Å; E46-R227 IonicContact OE1-NE 2.97Å; E46-R227 PolarHBondContact OE1-NE 2.9Å; E46-R227 IonicContact OE2-CZ 3.51Å; E46-R227 IonicContact OE2-NE 2.69Å; E46-R227 PolarHBondContact OE2-NE 3.38Å; E46-R227 IonicContact OE2-NH2 3.33Å; E46-R227 PolarHBondContact OE2-NH2 3.49Å; E46-F228 VanDerWaalsContact O-CA 3.32Å; E46-F228 WeakPolarHBondContact O-CA 3.12Å; E46-F229 HydrophobicContact CB-CB 4.23Å; E46-F229 PolarHBondContact N-O 3.11Å; E46-F229 PolarHBondContact O-N 3.05Å; E46-F229 VanDerWaalsContact O-N 3.1Å |
| 47 | T | 97.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -119.8 | -179.5 | 167.4 | 78.8 | 0 | 0 | 0 | 0 | 110.1 | K17 T45 E49 D50 R227 F228 T301 | K17-T47 WeakPolarHBondContact CE-O 3.44Å; K17-T47 PolarHBondContact NZ-O 2.85Å; T45-T47 HydrophobicContact CG2-CG2 4.44Å; T47-E49 VanDerWaalsContact CB-OE2 3.32Å; T47-E49 WeakPolarHBondContact CB-OE2 3.34Å; T47-E49 PolarHBondContact O-N 2.76Å; T47-E49 PolarHBondContact OG1-N 2.73Å; T47-E49 VanDerWaalsContact OG1-N 3.12Å; T47-E49 PolarHBondContact OG1-OE2 2.84Å; T47-D50 PolarHBondContact N-O 3.42Å; T47-D50 PolarHBondContact OG1-N 3.21Å; T47-R227 CarbonylContact C-O 3.56Å; T47-R227 WeakPolarHBondContact CA-O 3.39Å; T47-F228 HydrophobicContact CG2-CD2 4.39Å; T47-T301 HydrophobicContact CG2-CG2 3.69Å | ||
| 48 | P | 95 | Very high | 97.9 | Very high | 58 Ų | 58 | 28.4 Ų | 28.4 | 38% | 0.377 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -62 | -28.5 | 170.7 | -22.7 | 35.4 | 0 | 0 | 0 | 113.2 | K17 I226 R227 | K17-P48 WeakPolarHBondContact CE-O 3.34Å; P48-I226 HydrophobicContact CG-CD1 3.91Å; P48-I226 HydrophobicContact CG-CG1 3.46Å; P48-I226 VanDerWaalsContact CG-CG1 3.46Å; P48-R227 VanDerWaalsContact CD-O 3.23Å; P48-R227 WeakPolarHBondContact CD-O 3.23Å; P48-R227 HydrophobicContact CG-CB 4.47Å |
| 49 | E | 95.6 | Very high | 98 | Very high | 55 Ų | 55 | 19.9 Ų | 19.9 | 26% | 0.257 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -90.5 | -34.7 | -170.5 | -56.1 | 76.4 | -158.8 | 0 | 0 | 113.6 | T47 R268 K303 F304 | T47-E49 VanDerWaalsContact CB-OE2 3.32Å; T47-E49 WeakPolarHBondContact CB-OE2 3.34Å; T47-E49 PolarHBondContact O-N 2.76Å; T47-E49 PolarHBondContact OG1-N 2.73Å; T47-E49 VanDerWaalsContact OG1-N 3.12Å; T47-E49 PolarHBondContact OG1-OE2 2.84Å; E49-R268 VanDerWaalsContact CD-NH2 3.26Å; E49-R268 IonicContact OE1-CZ 3.45Å; E49-R268 IonicContact OE1-NH1 3.23Å; E49-R268 PolarHBondContact OE1-NH1 3.43Å; E49-R268 IonicContact OE1-NH2 3.04Å; E49-R268 PolarHBondContact OE1-NH2 3.49Å; E49-R268 IonicContact OE2-NH2 3.97Å; E49-K303 HydrophobicContact CB-CD 3.91Å; E49-K303 HydrophobicContact CG-CD 4.39Å; E49-F304 HydrophobicContact CG-CE2 4.1Å |
| 50 | D | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | -173.8 | -175.5 | 60.4 | 39.1 | 0 | 0 | 0 | 113.1 | S14 I15 K17 T47 T52 K303 | S14-D50 WeakPolarHBondContact OG-CB 3.46Å; S14-D50 PolarHBondContact OG-OD2 2.68Å; I15-D50 WeakPolarHBondContact O-CB 3.43Å; K17-D50 PolarHBondContact NZ-O 2.98Å; T47-D50 PolarHBondContact N-O 3.42Å; T47-D50 PolarHBondContact OG1-N 3.21Å; D50-T52 PolarHBondContact OD1-N 2.83Å; D50-T52 PolarHBondContact OD1-OG1 3.49Å; D50-T52 VanDerWaalsContact OD1-OG1 3.08Å; D50-K303 VanDerWaalsContact OD2-CE 3.28Å; D50-K303 WeakPolarHBondContact OD2-CE 3.32Å; D50-K303 IonicContact OD2-NZ 2.65Å |
| 51 | Y | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.5 | 160.8 | -61.4 | -96.2 | 0 | 0 | 0 | 108.5 | S14 I15 K17 I20 L44 T45 E46 M207 | S14-Y51 CarbonylContact C-O 3.59Å; S14-Y51 WeakPolarHBondContact CA-O 3.49Å; I15-Y51 PolarHBondContact N-O 3.5Å; I15-Y51 PolarHBondContact O-N 2.94Å; K17-Y51 HydrophobicContact CD-CD2 3.98Å; K17-Y51 HydrophobicContact CD-CE2 3.46Å; K17-Y51 VanDerWaalsContact CD-CE2 3.46Å; I20-Y51 HydrophobicContact CB-CD2 4.18Å; I20-Y51 HydrophobicContact CB-CE2 3.68Å; I20-Y51 HydrophobicContact CD1-CD1 4.07Å; I20-Y51 HydrophobicContact CD1-CD2 3.69Å; I20-Y51 HydrophobicContact CD1-CE1 4.13Å; I20-Y51 HydrophobicContact CD1-CE2 3.74Å; I20-Y51 HydrophobicContact CD1-CG 3.85Å; I20-Y51 HydrophobicContact CG1-CD2 4.09Å; I20-Y51 HydrophobicContact CG1-CE1 4.33Å; I20-Y51 HydrophobicContact CG1-CE2 3.62Å; I20-Y51 HydrophobicContact CG2-CE2 4.3Å; L44-Y51 HydrophobicContact CD1-CD1 4.19Å; L44-Y51 HydrophobicContact CD1-CG 4.45Å; L44-Y51 HydrophobicContact CD2-CD1 4.42Å; L44-Y51 HydrophobicContact CG-CD1 4.46Å; T45-Y51 CarbonylContact O-C 3.56Å; T45-Y51 WeakPolarHBondContact O-CA 3.47Å; E46-Y51 HydrophobicContact CB-CD1 3.8Å; E46-Y51 HydrophobicContact CB-CE1 3.81Å; E46-Y51 HydrophobicContact CG-CD1 3.75Å; E46-Y51 HydrophobicContact CG-CE1 3.4Å; E46-Y51 VanDerWaalsContact CG-CE1 3.4Å; E46-Y51 PolarHBondContact OE1-OH 2.91Å; Y51-M207 VanDerWaalsContact CE1-O 3.23Å; Y51-M207 WeakPolarHBondContact CE1-O 3.13Å; Y51-M207 PolarHBondContact OH-O 2.77Å |
| 52 | T | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 135.8 | 173.1 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | V12 A13 L44 T45 D50 T301 F302 | V12-T52 HydrophobicContact CG1-CG2 4.47Å; A13-T52 CarbonylContact O-C 3.59Å; A13-T52 WeakPolarHBondContact O-CA 3.39Å; L44-T52 CarbonylContact C-O 3.57Å; L44-T52 WeakPolarHBondContact CA-O 3.22Å; T45-T52 PolarHBondContact N-O 3.01Å; T45-T52 PolarHBondContact O-N 3.49Å; D50-T52 PolarHBondContact OD1-N 2.83Å; D50-T52 PolarHBondContact OD1-OG1 3.49Å; D50-T52 VanDerWaalsContact OD1-OG1 3.08Å; T52-T301 WeakPolarHBondContact OG1-CB 3.39Å; T52-F302 HydrophobicContact CG2-CB 4.17Å; T52-F302 WeakPolarHBondContact OG1-CB 3.33Å; T52-F302 PolarHBondContact OG1-N 3.06Å |
| 53 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.4 | 176 | -74 | 175.5 | 0 | 0 | 0 | 110.4 | V12 A13 I15 L27 F42 S43 L44 L63 | V12-L53 CarbonylContact C-O 3.48Å; V12-L53 VanDerWaalsContact CA-O 3.31Å; V12-L53 WeakPolarHBondContact CA-O 3.47Å; A13-L53 HydrophobicContact CB-CB 4.26Å; A13-L53 PolarHBondContact N-O 3.31Å; A13-L53 PolarHBondContact O-N 2.98Å; I15-L53 HydrophobicContact CD1-CD1 3.49Å; I15-L53 VanDerWaalsContact CD1-CD1 3.49Å; I15-L53 HydrophobicContact CD1-CG 4.22Å; I15-L53 HydrophobicContact CG1-CD1 4.11Å; L27-L53 HydrophobicContact CD2-CD1 4.13Å; L27-L53 HydrophobicContact CD2-CD2 3.81Å; F42-L53 HydrophobicContact CD2-CD2 4.42Å; F42-L53 HydrophobicContact CE2-CD2 3.64Å; F42-L53 HydrophobicContact CZ-CD2 4.4Å; S43-L53 CarbonylContact O-C 3.53Å; S43-L53 VanDerWaalsContact O-CA 3.3Å; S43-L53 WeakPolarHBondContact O-CA 3.47Å; L44-L53 HydrophobicContact CB-CD2 4.06Å; L44-L53 HydrophobicContact CD1-CD2 3.38Å; L44-L53 HydrophobicContact CD1-CG 4.06Å; L44-L53 HydrophobicContact CG-CD2 4.34Å; L53-L63 HydrophobicContact CD1-CD1 3.56Å; L53-L63 HydrophobicContact CD1-CD2 4.02Å; L53-L63 HydrophobicContact CD1-CG 4.46Å |
| 54 | I | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.3 | 161.8 | -49.2 | 178 | 0 | 0 | 0 | 106.3 | L10 K11 V12 F41 F42 S43 F115 L117 L126 | L10-I54 HydrophobicContact CB-CG2 4.39Å; L10-I54 HydrophobicContact CD1-CG2 4.05Å; K11-I54 WeakPolarHBondContact O-CA 3.36Å; V12-I54 HydrophobicContact CG2-CG1 4.48Å; F41-I54 HydrophobicContact CD1-CG2 4.16Å; F41-I54 HydrophobicContact CE1-CB 4.18Å; F41-I54 HydrophobicContact CE1-CG2 3.57Å; F41-I54 HydrophobicContact CZ-CG2 4.43Å; F42-I54 CarbonylContact C-O 3.59Å; S43-I54 PolarHBondContact N-O 3.17Å; S43-I54 PolarHBondContact O-N 3.25Å; I54-F115 HydrophobicContact CD1-CD1 3.95Å; I54-F115 HydrophobicContact CD1-CE1 3.64Å; I54-F115 HydrophobicContact CG1-CE1 4.22Å; I54-L117 HydrophobicContact CD1-CB 4.05Å; I54-L117 HydrophobicContact CD1-CD1 4.27Å; I54-L117 HydrophobicContact CD1-CD2 4.18Å; I54-L117 HydrophobicContact CD1-CG 4.38Å; I54-L126 HydrophobicContact CD1-CD2 4.37Å; I54-L126 HydrophobicContact CG2-CD2 3.63Å |
| 55 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.6 | -170.7 | 67.4 | 0 | 0 | 0 | 0 | 111 | L10 K11 L30 F41 F42 F60 | L10-V55 CarbonylContact C-O 3.4Å; L10-V55 WeakPolarHBondContact CA-O 3Å; K11-V55 PolarHBondContact N-O 2.83Å; K11-V55 PolarHBondContact O-N 2.68Å; L30-V55 HydrophobicContact CD1-CG2 4.45Å; F41-V55 CarbonylContact O-C 3.49Å; F41-V55 VanDerWaalsContact O-CA 3.26Å; F41-V55 WeakPolarHBondContact O-CA 3.27Å; F42-V55 HydrophobicContact CD2-CG2 4.33Å; V55-F60 HydrophobicContact CG1-CB 3.95Å; V55-F60 HydrophobicContact CG1-CD2 4.01Å; V55-F60 HydrophobicContact CG1-CG 4.5Å |
| 56 | D | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 168.9 | 172 | 68.5 | 37.9 | 0 | 0 | 0 | 113 | S9 L10 C39 K40 F41 E58 G59 F60 | S9-D56 VanDerWaalsContact O-CA 3.27Å; S9-D56 WeakPolarHBondContact O-CA 3.38Å; L10-D56 HydrophobicContact CD2-CB 4Å; C39-D56 WeakPolarHBondContact CA-OD2 3.49Å; K40-D56 PolarHBondContact N-OD2 2.8Å; F41-D56 HydrophobicContact CB-CB 4.19Å; F41-D56 PolarHBondContact N-OD2 2.96Å; F41-D56 PolarHBondContact O-N 3.37Å; D56-E58 PolarHBondContact O-N 3.3Å; D56-E58 WeakPolarHBondContact OD1-CA 3.49Å; D56-E58 WeakPolarHBondContact OD1-CB 3.43Å; D56-E58 PolarHBondContact OD1-N 2.88Å; D56-G59 PolarHBondContact O-N 2.79Å; D56-G59 PolarHBondContact OD1-N 3Å; D56-F60 WeakPolarHBondContact O-CB 3.27Å; D56-F60 PolarHBondContact O-N 2.85Å |
| 57 | E | 97.3 | Very high | 97.2 | Very high | 99 Ų | 99 | 47.5 Ų | 47.5 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58 | -29.9 | -179.1 | -68.5 | -175 | -177.5 | 0 | 0 | 114.4 | S9 K61 | S9-E57 WeakPolarHBondContact CB-OE1 3.39Å; S9-E57 PolarHBondContact O-N 2.7Å; S9-E57 PolarHBondContact OG-OE1 3.34Å; E57-K61 WeakPolarHBondContact O-CE 3.44Å; E57-K61 WeakPolarHBondContact O-CG 3.26Å |
| 58 | E | 97.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 23% | 0.229 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.5 | -41.5 | 178.7 | -71.3 | -63.9 | 127.7 | 0 | 0 | 111 | R38 D56 K61 | R38-E58 HydrophobicContact CB-CB 4.05Å; R38-E58 HydrophobicContact CB-CG 3.99Å; R38-E58 IonicContact CZ-OE1 3.57Å; R38-E58 IonicContact CZ-OE2 3.54Å; R38-E58 IonicContact NE-OE2 2.64Å; R38-E58 PolarHBondContact NE-OE2 3.34Å; R38-E58 IonicContact NH2-OE1 3.11Å; R38-E58 PolarHBondContact NH2-OE1 2.99Å; R38-E58 VanDerWaalsContact NH2-OE1 3.11Å; R38-E58 IonicContact NH2-OE2 2.68Å; R38-E58 PolarHBondContact NH2-OE2 2.85Å; D56-E58 PolarHBondContact O-N 3.3Å; D56-E58 WeakPolarHBondContact OD1-CA 3.49Å; D56-E58 WeakPolarHBondContact OD1-CB 3.43Å; D56-E58 PolarHBondContact OD1-N 2.88Å; E58-K61 PolarHBondContact O-N 3Å; E58-K61 IonicContact OE1-NZ 2.68Å; E58-K61 PolarHBondContact OE1-NZ 3.01Å |
| 59 | G | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.9 | -33.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L30 D56 K61 E62 | L30-G59 VanDerWaalsContact CD2-CA 3.47Å; D56-G59 PolarHBondContact O-N 2.79Å; D56-G59 PolarHBondContact OD1-N 3Å; G59-K61 PolarHBondContact O-N 2.8Å; G59-E62 VanDerWaalsContact O-CB 3.3Å; G59-E62 WeakPolarHBondContact O-CB 3.43Å; G59-E62 PolarHBondContact O-N 2.94Å |
| 60 | F | 98.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 25% | 0.25 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -32.9 | 176.8 | -172 | -105.3 | 0 | 0 | 0 | 112.4 | K11 V55 D56 E62 L63 V71 | K11-F60 HydrophobicContact CB-CD2 3.9Å; K11-F60 HydrophobicContact CB-CE2 4.35Å; K11-F60 HydrophobicContact CB-CG 4.29Å; K11-F60 HydrophobicContact CG-CB 4.42Å; K11-F60 HydrophobicContact CG-CD1 4.41Å; K11-F60 HydrophobicContact CG-CD2 4.13Å; K11-F60 HydrophobicContact CG-CG 4.05Å; V55-F60 HydrophobicContact CG1-CB 3.95Å; V55-F60 HydrophobicContact CG1-CD2 4.01Å; V55-F60 HydrophobicContact CG1-CG 4.5Å; D56-F60 WeakPolarHBondContact O-CB 3.27Å; D56-F60 PolarHBondContact O-N 2.85Å; F60-E62 PolarHBondContact O-N 3.21Å; F60-L63 HydrophobicContact CD2-CD1 3.92Å; F60-L63 HydrophobicContact CE2-CD1 4.22Å; F60-L63 WeakPolarHBondContact O-CB 3.45Å; F60-L63 PolarHBondContact O-N 2.92Å; F60-L63 VanDerWaalsContact O-N 3.12Å; F60-V71 HydrophobicContact CE2-CG1 4.17Å; F60-V71 HydrophobicContact CE2-CG2 3.93Å; F60-V71 HydrophobicContact CZ-CG1 4.2Å; F60-V71 HydrophobicContact CZ-CG2 3.85Å |
| 61 | K | 97.6 | Very high | 97.4 | Very high | 132 Ų | 132 | 51.3 Ų | 51.3 | 57% | 0.574 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.9 | 176.1 | -67.2 | 165 | -168.3 | 172.8 | 0 | 113.7 | E57 E58 G59 L63 | E57-K61 WeakPolarHBondContact O-CE 3.44Å; E57-K61 WeakPolarHBondContact O-CG 3.26Å; E58-K61 PolarHBondContact O-N 3Å; E58-K61 IonicContact OE1-NZ 2.68Å; E58-K61 PolarHBondContact OE1-NZ 3.01Å; G59-K61 PolarHBondContact O-N 2.8Å; K61-L63 VanDerWaalsContact C-N 3.29Å |
| 62 | E | 97.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -9.6 | 176.7 | -58 | -65.4 | 177.7 | 0 | 0 | 112.8 | G26 K29 L30 G59 F60 | G26-E62 WeakPolarHBondContact CA-O 3.31Å; K29-E62 HydrophobicContact CD-CG 4.29Å; K29-E62 VanDerWaalsContact CD-OE2 3.31Å; K29-E62 WeakPolarHBondContact CD-OE2 3.3Å; K29-E62 WeakPolarHBondContact CE-OE2 3.36Å; K29-E62 IonicContact NZ-OE1 3.41Å; K29-E62 IonicContact NZ-OE2 2.76Å; K29-E62 PolarHBondContact NZ-OE2 2.87Å; L30-E62 HydrophobicContact CD1-CB 4.45Å; L30-E62 HydrophobicContact CD2-CB 4.17Å; L30-E62 HydrophobicContact CD2-CG 3.95Å; L30-E62 HydrophobicContact CG-CB 4.26Å; L30-E62 HydrophobicContact CG-CG 4.5Å; G59-E62 VanDerWaalsContact O-CB 3.3Å; G59-E62 WeakPolarHBondContact O-CB 3.43Å; G59-E62 PolarHBondContact O-N 2.94Å; F60-E62 PolarHBondContact O-N 3.21Å |
| 63 | L | 97.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -90.5 | 137.4 | 179 | -56 | 175.9 | 0 | 0 | 0 | 110.6 | L27 L30 L53 F60 K61 L69 | L27-L63 HydrophobicContact CD2-CD2 4.09Å; L30-L63 HydrophobicContact CD1-CD2 4.35Å; L53-L63 HydrophobicContact CD1-CD1 3.56Å; L53-L63 HydrophobicContact CD1-CD2 4.02Å; L53-L63 HydrophobicContact CD1-CG 4.46Å; F60-L63 HydrophobicContact CD2-CD1 3.92Å; F60-L63 HydrophobicContact CE2-CD1 4.22Å; F60-L63 WeakPolarHBondContact O-CB 3.45Å; F60-L63 PolarHBondContact O-N 2.92Å; F60-L63 VanDerWaalsContact O-N 3.12Å; K61-L63 VanDerWaalsContact C-N 3.29Å; L63-L69 HydrophobicContact CB-CD2 4.26Å |
| 64 | P | 95.2 | Very high | 97.2 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 29% | 0.286 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 149.3 | 175.5 | 31 | -33.1 | 0 | 0 | 0 | 111.2 | I22 S66 | I22-P64 HydrophobicContact CG2-CB 4.48Å; I22-P64 HydrophobicContact CG2-CG 3.89Å; P64-S66 PolarHBondContact O-N 2.77Å |
| 65 | E | 93.5 | Very high | 97.1 | Very high | 200 Ų | 200 | 62.2 Ų | 62.2 | 94% | 0.935 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 127.3 | 163.4 | -66.6 | -178.3 | -179.5 | 0 | 0 | 109.2 | ||
| 66 | S | 94.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | trans | -157.7 | 146.7 | -175.6 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | P64 H68 L69 | P64-S66 PolarHBondContact O-N 2.77Å; S66-H68 PolarHBondContact O-N 2.82Å; S66-H68 PolarHBondContact OG-N 3.35Å; S66-L69 PolarHBondContact O-N 2.8Å; S66-L69 VanDerWaalsContact O-N 3.13Å | ||
| 67 | E | 95.9 | Very high | 97.1 | Very high | 179 Ų | 179 | 62.3 Ų | 62.3 | 84% | 0.836 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.4 | 171.7 | 66.6 | -175.1 | 146.5 | 0 | 0 | 112.8 | L69 | E67-L69 VanDerWaalsContact C-N 3.3Š|
| 68 | H | 96.7 | Very high | 97.1 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 21% | 0.213 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.1 | 176.4 | -59.1 | -64.6 | 0 | 0 | 0 | 113.6 | I15 A16 S66 | I15-H68 WeakPolarHBondContact CA-O 3.42Å; A16-H68 HydrophobicContact CB-CB 4.18Å; A16-H68 PolarHBondContact N-O 3.32Å; S66-H68 PolarHBondContact O-N 2.82Å; S66-H68 PolarHBondContact OG-N 3.35Å |
| 69 | L | 97.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 55.3 Ų | 55.3 | 13% | 0.131 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 109.3 | 179.2 | -177 | 69.2 | 0 | 0 | 0 | 109.8 | A13 S14 I15 L63 S66 E67 V71 | A13-L69 HydrophobicContact CB-CD1 3.97Å; S14-L69 WeakPolarHBondContact O-CA 3.48Å; I15-L69 HydrophobicContact CG1-CD1 3.61Å; L63-L69 HydrophobicContact CB-CD2 4.26Å; S66-L69 PolarHBondContact O-N 2.8Å; S66-L69 VanDerWaalsContact O-N 3.13Å; E67-L69 VanDerWaalsContact C-N 3.3Å; L69-V71 HydrophobicContact CD2-CG2 4.42Å; L69-V71 HydrophobicContact CG-CG2 4.16Å |
| 70 | S | 98.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 43% | 0.427 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.7 | 171.4 | -64.9 | 0 | 0 | 0 | 0 | 110 | A13 S14 | A13-S70 CarbonylContact C-O 3.37Å; A13-S70 WeakPolarHBondContact CA-O 3.42Å; A13-S70 WeakPolarHBondContact CB-O 3.31Å; S14-S70 PolarHBondContact N-O 3.17Å; S14-S70 PolarHBondContact O-N 3Å |
| 71 | V | 98.2 | Very high | 96.5 | Very high | 61 Ų | 61 | 54.3 Ų | 54.3 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.7 | -177.5 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | A13 F60 L69 | A13-V71 HydrophobicContact CB-CG2 4.14Å; F60-V71 HydrophobicContact CE2-CG1 4.17Å; F60-V71 HydrophobicContact CE2-CG2 3.93Å; F60-V71 HydrophobicContact CZ-CG1 4.2Å; F60-V71 HydrophobicContact CZ-CG2 3.85Å; L69-V71 HydrophobicContact CD2-CG2 4.42Å; L69-V71 HydrophobicContact CG-CG2 4.16Å |
| 72 | A | 97.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | trans | -62.9 | 137.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V12 A74 F276 F302 | V12-A72 HydrophobicContact CB-CB 4.15Å; V12-A72 WeakPolarHBondContact O-CB 3.48Å; V12-A72 PolarHBondContact O-N 2.9Å; A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.42Å; A72-F276 HydrophobicContact CB-CD1 4.35Å; A72-F276 HydrophobicContact CB-CD2 4.02Å; A72-F276 HydrophobicContact CB-CE1 4.12Å; A72-F276 HydrophobicContact CB-CE2 3.78Å; A72-F276 HydrophobicContact CB-CG 4.31Å; A72-F276 HydrophobicContact CB-CZ 3.84Å; A72-F302 HydrophobicContact CB-CE2 4.49Å | ||
| 73 | E | 96.4 | Very high | 94.5 | Very high | 188 Ų | 188 | 51.8 Ų | 51.8 | 88% | 0.879 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -60.5 | -38.9 | -175.1 | -173.2 | -173.8 | 164.6 | 0 | 0 | 112.3 | ||
| 74 | A | 96.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -74 | 146 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A72 W76 R128 | A72-A74 VanDerWaalsContact C-N 3.27Å; A72-A74 PolarHBondContact O-N 3.42Å; A74-W76 PolarHBondContact O-NE1 3.15Å; A74-R128 HydrophobicContact CB-CB 4.21Å; A74-R128 HydrophobicContact CB-CG 3.7Å |
| 75 | T | 97.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | trans | -82.2 | 137.7 | 155.9 | -63.5 | 0 | 0 | 0 | 0 | 109.1 | S9 K11 R128 E129 | S9-T75 WeakPolarHBondContact OG-CG2 3.41Å; K11-T75 PolarHBondContact NZ-OG1 2.87Å; T75-R128 WeakPolarHBondContact O-CA 3.37Å; T75-E129 PolarHBondContact O-N 2.85Å | ||
| 76 | W | 98.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.1 | -177.2 | -59.4 | 79.4 | 0 | 0 | 0 | 111 | L10 V12 A74 F115 L126 V127 R128 F276 | L10-W76 HydrophobicContact CB-CB 4.16Å; L10-W76 WeakPolarHBondContact CB-O 3.38Å; L10-W76 PolarHBondContact N-O 3.4Å; L10-W76 PolarHBondContact O-N 3.08Å; V12-W76 HydrophobicContact CG2-CD2 4.48Å; V12-W76 HydrophobicContact CG2-CG 4.16Å; A74-W76 PolarHBondContact O-NE1 3.15Å; W76-F115 HydrophobicContact CE3-CB 4.23Å; W76-F115 HydrophobicContact CH2-CB 4.27Å; W76-F115 HydrophobicContact CZ3-CB 3.91Å; W76-L126 HydrophobicContact CB-CB 4.28Å; W76-L126 HydrophobicContact CB-CD2 4.11Å; W76-L126 HydrophobicContact CB-CG 4.4Å; W76-L126 HydrophobicContact CE3-CB 3.94Å; W76-V127 CarbonylContact C-O 3.48Å; W76-V127 WeakPolarHBondContact CA-O 3.49Å; W76-R128 HydrophobicContact CD2-CG 4.14Å; W76-R128 HydrophobicContact CE3-CG 3.92Å; W76-R128 HydrophobicContact CH2-CG 3.75Å; W76-R128 HydrophobicContact CZ2-CG 3.96Å; W76-R128 HydrophobicContact CZ3-CG 3.73Å; W76-F276 HydrophobicContact CH2-CB 4.29Å; W76-F276 HydrophobicContact CH2-CD1 4.25Å; W76-F276 HydrophobicContact CZ2-CB 3.98Å; W76-F276 AromaticContact CZ2-CD1 3.71Å; W76-F276 HydrophobicContact CZ2-CD1 3.71Å; W76-F276 HydrophobicContact CZ2-CG 4.15Å |
| 77 | L | 98.3 | Very high | 84.4 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.6 | 172.6 | -59.5 | 177.2 | 0 | 0 | 0 | 108.6 | L126 V127 E129 L132 | L77-L126 VanDerWaalsContact O-CA 3.3Å; L77-L126 WeakPolarHBondContact O-CA 3.46Å; L77-V127 HydrophobicContact CB-CG2 4.3Å; L77-V127 PolarHBondContact N-O 2.82Å; L77-V127 PolarHBondContact O-N 2.79Å; L77-E129 HydrophobicContact CD1-CB 4.22Å; L77-E129 HydrophobicContact CD1-CG 4.13Å; L77-E129 HydrophobicContact CG-CB 4.09Å; L77-E129 HydrophobicContact CG-CG 4.37Å; L77-L132 HydrophobicContact CD1-CB 4.11Å; L77-L132 HydrophobicContact CD1-CD1 4.07Å; L77-L132 HydrophobicContact CD1-CD2 3.69Å; L77-L132 HydrophobicContact CD1-CG 4.16Å |
| 78 | A | 97.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L6 L10 F41 F124 L126 | L6-A78 HydrophobicContact CB-CB 4.31Å; L6-A78 WeakPolarHBondContact CB-O 3.49Å; L6-A78 HydrophobicContact CD1-CB 3.98Å; L6-A78 HydrophobicContact CG-CB 4.4Å; L6-A78 PolarHBondContact N-O 3.37Å; L10-A78 HydrophobicContact CD1-CB 3.91Å; F41-A78 HydrophobicContact CE2-CB 4.25Å; A78-F124 HydrophobicContact CB-CD1 4.38Å; A78-L126 HydrophobicContact CB-CD1 4.33Å |
| 79 | L | 96.5 | Very high | 78.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 145.7 | 170 | -47.3 | 175.3 | 0 | 0 | 0 | 109.2 | L3 H4 I5 I125 V127 V135 | L3-L79 HydrophobicContact CD1-CB 4.26Å; H4-L79 CarbonylContact O-C 3.55Å; H4-L79 WeakPolarHBondContact O-CA 3.13Å; I5-L79 HydrophobicContact CB-CD2 4.24Å; I5-L79 HydrophobicContact CG1-CD2 3.74Å; I5-L79 HydrophobicContact CG2-CD2 4.28Å; L79-I125 HydrophobicContact CB-CB 4.28Å; L79-I125 HydrophobicContact CB-CD1 4.49Å; L79-I125 WeakPolarHBondContact CB-O 3.24Å; L79-I125 WeakPolarHBondContact CG-O 3.32Å; L79-I125 PolarHBondContact N-O 3.48Å; L79-I125 PolarHBondContact O-N 2.74Å; L79-V127 HydrophobicContact CD1-CG1 3.76Å; L79-V127 HydrophobicContact CD1-CG2 3.92Å; L79-V127 HydrophobicContact CD2-CG2 4.22Å; L79-V127 HydrophobicContact CG-CG2 4.03Å; L79-V135 HydrophobicContact CD1-CG1 3.68Å |
| 80 | N | 93.4 | Very high | 75.8 | Confident | 29 Ų | 29 | 60 Ų | 60 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.2 | 172.2 | -172.3 | 13.6 | 0 | 0 | 0 | 110.7 | H4 L6 T122 | H4-N80 PolarHBondContact N-O 3.19Å; H4-N80 PolarHBondContact O-N 2.76Å; L6-N80 HydrophobicContact CD1-CB 4.41Å; L6-N80 HydrophobicContact CD2-CB 4.39Å; N80-T122 PolarHBondContact OD1-OG1 3.47Å |
| 81 | V | 90.2 | Very high | 72.9 | Confident | 8 Ų | 8 | 63 Ų | 63 | 5% | 0.048 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.2 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | L3 I99 V103 I125 F143 | L3-V81 HydrophobicContact CD1-CG2 3.67Å; V81-I99 HydrophobicContact CB-CG2 4.05Å; V81-I99 HydrophobicContact CG1-CG2 4.21Å; V81-I99 HydrophobicContact CG2-CG2 3.92Å; V81-V103 HydrophobicContact CG2-CG2 3.78Å; V81-I125 HydrophobicContact CG2-CD1 4.37Å; V81-F143 HydrophobicContact CG1-CE1 3.78Å; V81-F143 HydrophobicContact CG2-CE1 4.4Å |
| 82 | V | 84 | Confident | 70.4 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.3 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | E2 G84 | E2-V82 PolarHBondContact N-O 3.31Å; E2-V82 PolarHBondContact O-N 3.4Å; V82-G84 PolarHBondContact O-N 2.87Å |
| 83 | S | 69.9 | Low | 68.1 | Low | 71 Ų | 71 | 66.4 Ų | 66.4 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | trans | -83.4 | 112.4 | 173.2 | -165.3 | 0 | 0 | 0 | 0 | 109.6 | G85 | S83-G85 PolarHBondContact O-N 2.95Š| ||
| 84 | G | 54.3 | Low | 66.3 | Low | 72 Ų | 72 | 59.3 Ų | 59.3 | 74% | 0.742 | 40% | 0.404 | S | S | * | . | trans | -74.4 | 52.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V82 | V82-G84 PolarHBondContact O-N 2.87Š| ||
| 85 | G | 45.1 | Very low | 65 | Low | 65 Ų | 65 | 58.7 Ų | 58.7 | 67% | 0.67 | 40% | 0.399 | S | S | * | . | trans | -96.9 | 110.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S83 | S83-G85 PolarHBondContact O-N 2.95Š| ||
| 86 | G | 35.9 | Very low | 64.1 | Low | 76 Ų | 76 | 57.4 Ų | 57.4 | 78% | 0.784 | 39% | 0.392 | S | S | * | . | trans | -64.1 | 159.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 87 | S | 32.5 | Very low | 63.3 | Low | 117 Ų | 117 | 58.2 Ų | 58.2 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 95.7 | 126.3 | 176.9 | -161.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 88 | T | 40.1 | Very low | 62.7 | Low | 115 Ų | 115 | 63.4 Ų | 63.4 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -49.2 | 147.8 | -179.9 | 47.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 89 | T | 35.3 | Very low | 62.3 | Low | 125 Ų | 125 | 63.6 Ų | 63.6 | 77% | 0.767 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 76.8 | 115.2 | 166.9 | 69.2 | 0 | 0 | 0 | 0 | 116 | ||
| 90 | N | 34.6 | Very low | 62 | Low | 145 Ų | 145 | 63.6 Ų | 63.6 | 78% | 0.775 | 42% | 0.42 | S | S | * | . | trans | 86.2 | 46.7 | 172.6 | -52.2 | -13.6 | 0 | 0 | 0 | 117.9 | Q92 | N90-Q92 PolarHBondContact O-N 3.43Š| ||
| 91 | S | 37.3 | Very low | 61.8 | Low | 123 Ų | 123 | 68.7 Ų | 68.7 | 86% | 0.86 | 44% | 0.44 | S | S | * | . | trans | -67.4 | 89 | 156.4 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 92 | Q | 45.5 | Very low | 61.8 | Low | 119 Ų | 119 | 69.6 Ų | 69.6 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | trans | -51.1 | 134.6 | 165.8 | -74.6 | -70 | -21.8 | 0 | 0 | 108.2 | N90 I94 | N90-Q92 PolarHBondContact O-N 3.43Å; Q92-I94 PolarHBondContact O-N 2.67Å | ||
| 93 | P | 50.4 | Low | 62.3 | Low | 22 Ų | 22 | 66.9 Ų | 66.9 | 14% | 0.143 | 43% | 0.431 | C | S | . | . | trans | -46.8 | 135 | 176.1 | -25.9 | 32.8 | 0 | 0 | 0 | 110.3 | G95 K98 Y120 | P93-G95 VanDerWaalsContact C-N 3.26Å; P93-G95 PolarHBondContact O-N 3.33Å; P93-K98 PolarHBondContact O-NZ 3.12Å; P93-Y120 WeakPolarHBondContact CG-O 3.37Å | ||
| 94 | I | 58.4 | Low | 63.5 | Low | 39 Ų | 39 | 63.6 Ų | 63.6 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | trans | -76.8 | 87.7 | 174 | -61.5 | 176.7 | 0 | 0 | 0 | 105.6 | Q92 K98 I99 | Q92-I94 PolarHBondContact O-N 2.67Å; I94-K98 HydrophobicContact CB-CD 4.36Å; I94-K98 HydrophobicContact CG2-CB 3.56Å; I94-K98 HydrophobicContact CG2-CD 3.9Å; I94-K98 HydrophobicContact CG2-CG 4.34Å; I94-I99 HydrophobicContact CG2-CG2 3.76Å | ||
| 95 | G | 68.8 | Low | 65.4 | Low | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | trans | -59.3 | 158.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P93 T97 K98 D123 | P93-G95 VanDerWaalsContact C-N 3.26Å; P93-G95 PolarHBondContact O-N 3.33Å; G95-T97 PolarHBondContact O-N 2.76Å; G95-K98 WeakPolarHBondContact O-CB 3.48Å; G95-K98 PolarHBondContact O-N 3.33Å; G95-D123 WeakPolarHBondContact CA-OD2 3.39Å | ||
| 96 | V | 80.1 | Confident | 67.7 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.5 | -29.1 | -167.6 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | K98 I99 A100 I104 M116 D123 V282 A296 | V96-K98 VanDerWaalsContact C-N 3.31Å; V96-K98 PolarHBondContact O-N 2.83Å; V96-I99 HydrophobicContact CG2-CG1 4.4Å; V96-I99 CarbonylContact O-C 3.45Å; V96-I99 WeakPolarHBondContact O-CG1 3.25Å; V96-I99 PolarHBondContact O-N 3.41Å; V96-A100 PolarHBondContact O-N 3.34Å; V96-I104 HydrophobicContact CG2-CG1 4.3Å; V96-M116 HydrophobicContact CB-CE 4.37Å; V96-M116 HydrophobicContact CG2-CE 3.63Å; V96-D123 WeakPolarHBondContact CA-OD2 3.28Å; V96-D123 PolarHBondContact N-OD2 2.69Å; V96-V282 HydrophobicContact CG2-CG1 4.25Å; V96-A296 HydrophobicContact CG1-CB 3.99Å; V96-A296 WeakPolarHBondContact CG1-O 2.89Å; V96-A296 PolarHBondContact N-O 2.69Å; V96-A296 VanDerWaalsContact N-O 3.08Å |
| 97 | T | 80.9 | Confident | 70.5 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.3 | -27 | -179.6 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | G95 I99 A100 L289 A290 I294 P295 A296 | G95-T97 PolarHBondContact O-N 2.76Å; T97-I99 VanDerWaalsContact C-N 3.31Å; T97-I99 PolarHBondContact O-N 2.68Å; T97-A100 WeakPolarHBondContact O-CB 3.47Å; T97-A100 PolarHBondContact O-N 3.4Å; T97-L289 HydrophobicContact CG2-CB 3.68Å; T97-A290 VanDerWaalsContact O-CB 3.22Å; T97-A290 WeakPolarHBondContact O-CB 3.46Å; T97-I294 WeakPolarHBondContact CB-O 3.44Å; T97-I294 WeakPolarHBondContact CG2-O 3.39Å; T97-I294 PolarHBondContact OG1-O 3.42Å; T97-P295 WeakPolarHBondContact OG1-CA 3.23Å; T97-A296 HydrophobicContact CG2-CB 4.04Å |
| 98 | K | 86.5 | Confident | 73.5 | Confident | 124 Ų | 124 | 50.1 Ų | 50.1 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71 | -27.5 | 173.7 | -64.7 | -177.7 | -170.4 | 161.2 | 0 | 112.5 | P93 I94 G95 V96 | P93-K98 PolarHBondContact O-NZ 3.12Å; I94-K98 HydrophobicContact CB-CD 4.36Å; I94-K98 HydrophobicContact CG2-CB 3.56Å; I94-K98 HydrophobicContact CG2-CD 3.9Å; I94-K98 HydrophobicContact CG2-CG 4.34Å; G95-K98 WeakPolarHBondContact O-CB 3.48Å; G95-K98 PolarHBondContact O-N 3.33Å; V96-K98 VanDerWaalsContact C-N 3.31Å; V96-K98 PolarHBondContact O-N 2.83Å |
| 99 | I | 89.3 | Confident | 76 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -100.1 | -0.5 | 177.5 | 61.6 | 167.1 | 0 | 0 | 0 | 113.2 | V81 I94 V96 T97 K101 S102 V103 I104 M116 I125 | V81-I99 HydrophobicContact CB-CG2 4.05Å; V81-I99 HydrophobicContact CG1-CG2 4.21Å; V81-I99 HydrophobicContact CG2-CG2 3.92Å; I94-I99 HydrophobicContact CG2-CG2 3.76Å; V96-I99 HydrophobicContact CG2-CG1 4.4Å; V96-I99 CarbonylContact O-C 3.45Å; V96-I99 WeakPolarHBondContact O-CG1 3.25Å; V96-I99 PolarHBondContact O-N 3.41Å; T97-I99 VanDerWaalsContact C-N 3.31Å; T97-I99 PolarHBondContact O-N 2.68Å; I99-K101 PolarHBondContact O-N 2.64Å; I99-S102 PolarHBondContact O-N 2.93Å; I99-V103 HydrophobicContact CB-CB 4.25Å; I99-V103 HydrophobicContact CB-CG2 4.23Å; I99-V103 PolarHBondContact O-N 2.69Å; I99-I104 HydrophobicContact CD1-CD1 4.19Å; I99-I104 HydrophobicContact CD1-CG1 4.39Å; I99-I104 HydrophobicContact CG1-CG1 4.26Å; I99-I104 PolarHBondContact O-N 3.4Å; I99-I104 VanDerWaalsContact O-N 3.14Å; I99-M116 HydrophobicContact CD1-CE 4.4Å; I99-I125 HydrophobicContact CD1-CD1 3.67Å; I99-I125 HydrophobicContact CD1-CG1 3.85Å |
| 100 | A | 89.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -56.1 | -49.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V96 T97 I104 A105 A290 | V96-A100 PolarHBondContact O-N 3.34Å; T97-A100 WeakPolarHBondContact O-CB 3.47Å; T97-A100 PolarHBondContact O-N 3.4Å; A100-I104 PolarHBondContact O-N 2.75Å; A100-A105 VanDerWaalsContact O-CB 3.26Å; A100-A105 WeakPolarHBondContact O-CB 3.34Å; A100-A105 PolarHBondContact O-N 3.02Å; A100-A290 HydrophobicContact CB-CB 3.77Å |
| 101 | K | 88.9 | Confident | 81.4 | Confident | 136 Ų | 136 | 41.2 Ų | 41.2 | 59% | 0.591 | 22% | 0.222 | S | C | * | . | I | π-helix | trans | -80.8 | -29.3 | -176.6 | -66.7 | 179.9 | 180 | 172.3 | 0 | 113.8 | I99 P106 | I99-K101 PolarHBondContact O-N 2.64Å; K101-P106 WeakPolarHBondContact O-CD 3.27Å |
| 102 | S | 90.3 | Very high | 84.2 | Confident | 26 Ų | 26 | 35.5 Ų | 35.5 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -94.3 | -25.7 | -173.4 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | I99 F143 | I99-S102 PolarHBondContact O-N 2.93Å; S102-F143 WeakPolarHBondContact O-CE2 3.41Å |
| 103 | V | 94.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -124.6 | -60.4 | -178 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | V81 I99 A105 P106 L107 I125 L139 F143 | V81-V103 HydrophobicContact CG2-CG2 3.78Å; I99-V103 HydrophobicContact CB-CB 4.25Å; I99-V103 HydrophobicContact CB-CG2 4.23Å; I99-V103 PolarHBondContact O-N 2.69Å; V103-A105 PolarHBondContact O-N 3.05Å; V103-P106 WeakPolarHBondContact O-CD 3.47Å; V103-L107 HydrophobicContact CG1-CD1 3.8Å; V103-L107 HydrophobicContact CG1-CG 4.41Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 VanDerWaalsContact O-CG 3.25Å; V103-L107 WeakPolarHBondContact O-CG 3.33Å; V103-L107 PolarHBondContact O-N 2.82Å; V103-I125 HydrophobicContact CG1-CD1 4.35Å; V103-I125 HydrophobicContact CG1-CG1 4.5Å; V103-L139 HydrophobicContact CG1-CD1 4.08Å; V103-L139 HydrophobicContact CG1-CD2 4.49Å; V103-F143 HydrophobicContact CG2-CE1 4.5Å; V103-F143 HydrophobicContact CG2-CE2 3.82Å; V103-F143 HydrophobicContact CG2-CZ 3.61Å |
| 104 | I | 95.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -63.1 | -48.3 | -169.1 | -54 | -57.8 | 0 | 0 | 0 | 111.8 | V96 I99 A100 L107 A108 M116 I125 V282 A283 | V96-I104 HydrophobicContact CG2-CG1 4.3Å; I99-I104 HydrophobicContact CD1-CD1 4.19Å; I99-I104 HydrophobicContact CD1-CG1 4.39Å; I99-I104 HydrophobicContact CG1-CG1 4.26Å; I99-I104 PolarHBondContact O-N 3.4Å; I99-I104 VanDerWaalsContact O-N 3.14Å; A100-I104 PolarHBondContact O-N 2.75Å; I104-L107 PolarHBondContact O-N 2.94Å; I104-A108 WeakPolarHBondContact O-CB 3.32Å; I104-A108 PolarHBondContact O-N 3.14Å; I104-M116 HydrophobicContact CD1-CE 4.42Å; I104-M116 HydrophobicContact CD1-SD 3.72Å; I104-I125 HydrophobicContact CD1-CG1 4.18Å; I104-I125 HydrophobicContact CD1-CG2 4.4Å; I104-V282 HydrophobicContact CD1-CG1 4.42Å; I104-V282 HydrophobicContact CG1-CG1 4.5Å; I104-V282 HydrophobicContact CG2-CB 3.89Å; I104-V282 HydrophobicContact CG2-CG1 3.79Å; I104-A283 HydrophobicContact CG2-CB 3.99Å |
| 105 | A | 94.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -47.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A100 V103 L107 A108 D109 R173 E287 | A100-A105 VanDerWaalsContact O-CB 3.26Å; A100-A105 WeakPolarHBondContact O-CB 3.34Å; A100-A105 PolarHBondContact O-N 3.02Å; V103-A105 PolarHBondContact O-N 3.05Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 2.97Å; A105-A108 PolarHBondContact O-N 3.45Å; A105-D109 WeakPolarHBondContact O-CB 3.36Å; A105-D109 PolarHBondContact O-N 3.04Å; A105-R173 PolarHBondContact O-NH2 2.88Å; A105-E287 HydrophobicContact CB-CG 4.21Å; A105-E287 WeakPolarHBondContact CB-OE1 3.06Å |
| 106 | P | 93.8 | Very high | 92.2 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 20% | 0.195 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56.6 | -40.6 | 172.9 | -30 | 36.7 | 0 | 0 | 0 | 114.2 | K101 V103 D109 H110 T138 L139 | K101-P106 WeakPolarHBondContact O-CD 3.27Å; V103-P106 WeakPolarHBondContact O-CD 3.47Å; P106-D109 PolarHBondContact O-N 3.34Å; P106-H110 PolarHBondContact O-N 3.3Å; P106-H110 PolarHBondContact O-ND1 2.92Å; P106-T138 HydrophobicContact CB-CG2 3.7Å; P106-T138 WeakPolarHBondContact O-CG2 3.4Å; P106-L139 HydrophobicContact CB-CD2 4.2Å |
| 107 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.5 | -67.9 | -179.9 | 0 | 0 | 0 | 111.3 | V103 I104 A105 D109 H110 N111 I112 V114 I125 V127 V135 T138 L139 | V103-L107 HydrophobicContact CG1-CD1 3.8Å; V103-L107 HydrophobicContact CG1-CG 4.41Å; V103-L107 WeakPolarHBondContact O-CB 3.49Å; V103-L107 VanDerWaalsContact O-CG 3.25Å; V103-L107 WeakPolarHBondContact O-CG 3.33Å; V103-L107 PolarHBondContact O-N 2.82Å; I104-L107 PolarHBondContact O-N 2.94Å; A105-L107 VanDerWaalsContact C-N 3.32Å; A105-L107 PolarHBondContact O-N 2.97Å; L107-D109 PolarHBondContact O-N 3.21Å; L107-H110 CarbonylContact O-C 3.53Å; L107-H110 PolarHBondContact O-N 2.89Å; L107-N111 PolarHBondContact O-N 3.49Å; L107-I112 HydrophobicContact CB-CB 4.21Å; L107-I112 HydrophobicContact CD2-CB 4.39Å; L107-I112 HydrophobicContact CD2-CD1 3.53Å; L107-I112 HydrophobicContact CD2-CG2 4.39Å; L107-I112 WeakPolarHBondContact O-CB 3.25Å; L107-I112 PolarHBondContact O-N 2.8Å; L107-V114 HydrophobicContact CB-CG1 4.27Å; L107-V114 HydrophobicContact CD1-CG1 3.72Å; L107-I125 HydrophobicContact CD1-CG2 4.33Å; L107-V127 HydrophobicContact CD1-CG1 4.38Å; L107-V135 HydrophobicContact CD2-CB 4.33Å; L107-V135 HydrophobicContact CD2-CG1 4.21Å; L107-V135 HydrophobicContact CD2-CG2 4.03Å; L107-T138 HydrophobicContact CD2-CG2 4.21Å; L107-L139 HydrophobicContact CD1-CD1 4.46Å; L107-L139 HydrophobicContact CD2-CD1 4.04Å; L107-L139 HydrophobicContact CD2-CD2 4.42Å; L107-L139 HydrophobicContact CD2-CG 4.16Å; L107-L139 HydrophobicContact CG-CD1 4.38Å; L107-L139 HydrophobicContact CG-CD2 4.49Å |
| 108 | A | 94.5 | Very high | 93.8 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I104 A105 H110 N111 A283 | I104-A108 WeakPolarHBondContact O-CB 3.32Å; I104-A108 PolarHBondContact O-N 3.14Å; A105-A108 PolarHBondContact O-N 3.45Å; A108-H110 PolarHBondContact O-N 3.16Å; A108-N111 PolarHBondContact O-N 2.78Å; A108-A283 HydrophobicContact CB-CB 3.91Å |
| 109 | D | 92.4 | Very high | 94.2 | Very high | 34 Ų | 34 | 21.8 Ų | 21.8 | 18% | 0.182 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -26.1 | 177 | -85.7 | -22.5 | 0 | 0 | 0 | 113.7 | A105 P106 L107 P168 R173 | A105-D109 WeakPolarHBondContact O-CB 3.36Å; A105-D109 PolarHBondContact O-N 3.04Å; P106-D109 PolarHBondContact O-N 3.34Å; L107-D109 PolarHBondContact O-N 3.21Å; D109-P168 HydrophobicContact CB-CB 3.65Å; D109-P168 HydrophobicContact CB-CG 3.8Å; D109-R173 IonicContact OD1-CZ 3.69Å; D109-R173 IonicContact OD1-NE 2.66Å; D109-R173 IonicContact OD1-NH2 3.76Å; D109-R173 PolarHBondContact OD1-NH2 2.84Å; D109-R173 IonicContact OD2-NH2 3.66Å; D109-R173 PolarHBondContact OD2-NH2 3.14Å |
| 110 | H | 91.8 | Very high | 94.5 | Very high | 39 Ų | 39 | 23.7 Ų | 23.7 | 18% | 0.181 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 13.7 | 175.8 | -66.7 | 83.5 | 0 | 0 | 0 | 112.8 | P106 L107 A108 I112 M134 T138 P168 | P106-H110 PolarHBondContact O-N 3.3Å; P106-H110 PolarHBondContact O-ND1 2.92Å; L107-H110 CarbonylContact O-C 3.53Å; L107-H110 PolarHBondContact O-N 2.89Å; A108-H110 PolarHBondContact O-N 3.16Å; H110-I112 VanDerWaalsContact C-N 3.28Å; H110-I112 HydrophobicContact CB-CD1 4.02Å; H110-I112 HydrophobicContact CB-CG1 4.22Å; H110-I112 PolarHBondContact O-N 3.13Å; H110-M134 HydrophobicContact CB-CG 4.39Å; H110-T138 VanDerWaalsContact CG-OG1 3.3Å; H110-T138 WeakPolarHBondContact ND1-CG2 3.38Å; H110-T138 PolarHBondContact ND1-OG1 3.46Å; H110-P168 WeakPolarHBondContact CE1-CG 3.36Å; H110-P168 WeakPolarHBondContact NE2-CD 3.47Å; H110-P168 WeakPolarHBondContact NE2-CG 3.35Å |
| 111 | N | 92.8 | Very high | 94.6 | Very high | 125 Ų | 125 | 26.4 Ų | 26.4 | 67% | 0.668 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 41.8 | -178.3 | -56.1 | -65.8 | 0 | 0 | 0 | 113.1 | L107 A108 C279 | L107-N111 PolarHBondContact O-N 3.49Å; A108-N111 PolarHBondContact O-N 2.78Å; N111-C279 PolarHBondContact O-SG 2.61Å; N111-C279 VanDerWaalsContact O-SG 3.35Å |
| 112 | I | 95.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | trans | -98.6 | 115.8 | 173 | -56.3 | 164.7 | 0 | 0 | 0 | 107.4 | L107 H110 V127 D131 M134 V135 C279 | L107-I112 HydrophobicContact CB-CB 4.21Å; L107-I112 HydrophobicContact CD2-CB 4.39Å; L107-I112 HydrophobicContact CD2-CD1 3.53Å; L107-I112 HydrophobicContact CD2-CG2 4.39Å; L107-I112 WeakPolarHBondContact O-CB 3.25Å; L107-I112 PolarHBondContact O-N 2.8Å; H110-I112 VanDerWaalsContact C-N 3.28Å; H110-I112 HydrophobicContact CB-CD1 4.02Å; H110-I112 HydrophobicContact CB-CG1 4.22Å; H110-I112 PolarHBondContact O-N 3.13Å; I112-V127 HydrophobicContact CG2-CG1 4.39Å; I112-D131 HydrophobicContact CG2-CB 4.17Å; I112-M134 HydrophobicContact CD1-CB 4.06Å; I112-M134 HydrophobicContact CD1-CG 3.55Å; I112-M134 HydrophobicContact CG1-CB 4.45Å; I112-M134 HydrophobicContact CG1-CG 3.96Å; I112-V135 HydrophobicContact CD1-CG2 4.02Å; I112-V135 HydrophobicContact CG2-CG2 3.88Å; I112-C279 VanDerWaalsContact C-SG 3.58Å | ||
| 113 | S | 96.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 20 Ų | 20 | 4% | 0.035 | 11% | 0.107 | C | C | . | . | trans | -73.8 | 141.6 | 174.5 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | F276 E278 C279 | S113-F276 WeakPolarHBondContact CB-O 3.41Å; S113-F276 PolarHBondContact OG-O 3.44Å; S113-E278 PolarHBondContact OG-O 3.12Å; S113-C279 PolarHBondContact N-SG 3.25Å | ||
| 114 | V | 97.8 | Very high | 95 | Very high | 21 Ų | 21 | 20.8 Ų | 20.8 | 13% | 0.127 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 149 | -178.2 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | L107 I125 L126 V127 V282 | L107-V114 HydrophobicContact CB-CG1 4.27Å; L107-V114 HydrophobicContact CD1-CG1 3.72Å; V114-I125 HydrophobicContact CB-CG2 3.99Å; V114-I125 HydrophobicContact CG1-CG2 3.92Å; V114-L126 VanDerWaalsContact CA-O 3.32Å; V114-L126 WeakPolarHBondContact CA-O 3.42Å; V114-V127 HydrophobicContact CG1-CG1 4.17Å; V114-V282 HydrophobicContact CG2-CB 4.25Å; V114-V282 HydrophobicContact CG2-CG2 3.84Å |
| 115 | F | 97.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 4% | 0.039 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.2 | 171.6 | -160.8 | -87.5 | 0 | 0 | 0 | 107.9 | V12 I54 W76 L126 F276 S300 T301 | V12-F115 HydrophobicContact CG1-CE1 4.34Å; V12-F115 HydrophobicContact CG1-CE2 4.3Å; V12-F115 HydrophobicContact CG1-CZ 3.98Å; I54-F115 HydrophobicContact CD1-CD1 3.95Å; I54-F115 HydrophobicContact CD1-CE1 3.64Å; I54-F115 HydrophobicContact CG1-CE1 4.22Å; W76-F115 HydrophobicContact CE3-CB 4.23Å; W76-F115 HydrophobicContact CH2-CB 4.27Å; W76-F115 HydrophobicContact CZ3-CB 3.91Å; F115-L126 HydrophobicContact CB-CB 4.01Å; F115-L126 PolarHBondContact N-O 3.16Å; F115-L126 WeakPolarHBondContact O-CA 3.48Å; F115-L126 WeakPolarHBondContact O-CB 3.34Å; F115-L126 PolarHBondContact O-N 3.39Å; F115-F276 HydrophobicContact CD2-CD1 4.14Å; F115-F276 HydrophobicContact CD2-CE1 4.04Å; F115-F276 HydrophobicContact CE2-CD1 4.26Å; F115-F276 AromaticContact CE2-CE1 3.73Å; F115-F276 HydrophobicContact CE2-CE1 3.73Å; F115-S300 VanDerWaalsContact CE1-CB 3.44Å; F115-S300 WeakPolarHBondContact CE1-O 3.28Å; F115-S300 VanDerWaalsContact CZ-CB 3.45Å; F115-S300 WeakPolarHBondContact CZ-O 3.5Å; F115-T301 WeakPolarHBondContact CE2-O 3.47Å; F115-T301 WeakPolarHBondContact CZ-O 3.28Å |
| 116 | M | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.1 | -172 | -70.3 | -63.5 | -55.9 | 0 | 0 | 111.4 | V96 I99 I104 D123 I125 V282 Y298 S300 | V96-M116 HydrophobicContact CB-CE 4.37Å; V96-M116 HydrophobicContact CG2-CE 3.63Å; I99-M116 HydrophobicContact CD1-CE 4.4Å; I104-M116 HydrophobicContact CD1-CE 4.42Å; I104-M116 HydrophobicContact CD1-SD 3.72Å; M116-D123 HydrophobicContact CE-CB 4.43Å; M116-I125 HydrophobicContact CE-CG1 4.07Å; M116-I125 HydrophobicContact SD-CB 4.16Å; M116-I125 HydrophobicContact SD-CG1 3.79Å; M116-I125 HydrophobicContact SD-CG2 4.01Å; M116-V282 HydrophobicContact CG-CB 4.38Å; M116-V282 HydrophobicContact CG-CG1 3.7Å; M116-V282 HydrophobicContact CG-CG2 3.8Å; M116-V282 HydrophobicContact SD-CG1 4.38Å; M116-Y298 HydrophobicContact CB-CD1 3.62Å; M116-Y298 HydrophobicContact CB-CE1 4.36Å; M116-Y298 HydrophobicContact CB-CG 4.28Å; M116-Y298 HydrophobicContact CG-CD1 4.01Å; M116-Y298 HydrophobicContact CG-CG 4.49Å; M116-S300 PolarHBondContact N-OG 3.25Å; M116-S300 VanDerWaalsContact N-OG 3.14Å; M116-S300 PolarHBondContact O-N 3.36Å |
| 117 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 94.2 | 166.9 | 179.6 | 70.7 | 0 | 0 | 0 | 109.5 | F41 I54 T119 F124 I234 I299 | F41-L117 HydrophobicContact CE1-CD2 3.93Å; F41-L117 HydrophobicContact CZ-CD2 3.85Å; I54-L117 HydrophobicContact CD1-CB 4.05Å; I54-L117 HydrophobicContact CD1-CD1 4.27Å; I54-L117 HydrophobicContact CD1-CD2 4.18Å; I54-L117 HydrophobicContact CD1-CG 4.38Å; L117-T119 HydrophobicContact CD2-CG2 4.29Å; L117-T119 HydrophobicContact CG-CG2 4.15Å; L117-F124 HydrophobicContact CB-CB 4.34Å; L117-F124 HydrophobicContact CD2-CD2 4.23Å; L117-F124 HydrophobicContact CG-CD2 4.5Å; L117-F124 PolarHBondContact N-O 2.71Å; L117-F124 PolarHBondContact O-N 2.64Å; L117-I234 HydrophobicContact CD2-CD1 3.7Å; L117-I299 HydrophobicContact CD1-CG2 4.43Å |
| 118 | S | 96.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 3% | 0.028 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.5 | 163.5 | -75.2 | 0 | 0 | 0 | 0 | 111.6 | D123 Y298 | S118-D123 VanDerWaalsContact CA-OD1 3.29Å; S118-D123 WeakPolarHBondContact CA-OD1 3.06Å; S118-D123 WeakPolarHBondContact CB-OD1 3.4Å; S118-D123 PolarHBondContact OG-OD1 2.86Å; S118-Y298 VanDerWaalsContact CB-N 3.31Å; S118-Y298 WeakPolarHBondContact CB-O 3.15Å; S118-Y298 PolarHBondContact N-O 2.9Å; S118-Y298 PolarHBondContact OG-N 3.1Å; S118-Y298 PolarHBondContact OG-O 2.83Å |
| 119 | T | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | trans | -119.4 | 175.4 | 169.8 | 76.4 | 0 | 0 | 0 | 0 | 110.3 | L117 Q121 T122 F124 I234 | L117-T119 HydrophobicContact CD2-CG2 4.29Å; L117-T119 HydrophobicContact CG-CG2 4.15Å; T119-Q121 PolarHBondContact O-N 2.89Å; T119-Q121 PolarHBondContact OG1-N 2.77Å; T119-Q121 VanDerWaalsContact OG1-N 3.16Å; T119-Q121 PolarHBondContact OG1-OE1 3.29Å; T119-T122 PolarHBondContact N-O 2.7Å; T119-T122 PolarHBondContact OG1-N 2.96Å; T119-T122 PolarHBondContact OG1-O 2.78Å; T119-T122 VanDerWaalsContact OG1-O 3.13Å; T119-F124 HydrophobicContact CG2-CD2 4.04Å; T119-F124 HydrophobicContact CG2-CE2 3.81Å; T119-I234 HydrophobicContact CG2-CD1 4.19Å | ||
| 120 | Y | 93.7 | Very high | 96 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -58.3 | -33.7 | 171.3 | -177.8 | -90.2 | 0 | 0 | 0 | 111.9 | P93 V188 S190 S239 S258 | P93-Y120 WeakPolarHBondContact CG-O 3.37Å; Y120-V188 HydrophobicContact CD2-CG1 4.31Å; Y120-S190 VanDerWaalsContact CD1-CB 3.44Å; Y120-S239 PolarHBondContact N-OG 3.25Å; Y120-S258 WeakPolarHBondContact CE2-OG 3.49Å; Y120-S258 VanDerWaalsContact CZ-OG 3.23Å; Y120-S258 WeakPolarHBondContact OH-CA 3.22Å; Y120-S258 PolarHBondContact OH-N 3.27Å; Y120-S258 PolarHBondContact OH-OG 2.81Å |
| 121 | Q | 91.5 | Very high | 96.2 | Very high | 56 Ų | 56 | 29.9 Ų | 29.9 | 26% | 0.262 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -85.5 | -42.6 | -174.8 | -63.7 | 76.5 | 27.7 | 0 | 0 | 112.5 | T119 S190 Y237 I238 | T119-Q121 PolarHBondContact O-N 2.89Å; T119-Q121 PolarHBondContact OG1-N 2.77Å; T119-Q121 VanDerWaalsContact OG1-N 3.16Å; T119-Q121 PolarHBondContact OG1-OE1 3.29Å; Q121-S190 PolarHBondContact NE2-OG 2.85Å; Q121-Y237 HydrophobicContact CG-CD1 4.13Å; Q121-Y237 HydrophobicContact CG-CG 4.19Å; Q121-I238 PolarHBondContact NE2-O 2.52Å |
| 122 | T | 92.4 | Very high | 96.3 | Very high | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.147 | 11% | 0.114 | C | C | . | . | trans | -164.9 | 174.9 | -170.9 | -159.7 | 0 | 0 | 0 | 0 | 112.3 | N80 T119 F124 | N80-T122 PolarHBondContact OD1-OG1 3.47Å; T119-T122 PolarHBondContact N-O 2.7Å; T119-T122 PolarHBondContact OG1-N 2.96Å; T119-T122 PolarHBondContact OG1-O 2.78Å; T119-T122 VanDerWaalsContact OG1-O 3.13Å; T122-F124 HydrophobicContact CG2-CD1 4.3Å; T122-F124 HydrophobicContact CG2-CD2 4.21Å; T122-F124 HydrophobicContact CG2-CE1 3.79Å; T122-F124 HydrophobicContact CG2-CE2 3.68Å; T122-F124 HydrophobicContact CG2-CZ 3.46Å; T122-F124 VanDerWaalsContact CG2-CZ 3.46Å | ||
| 123 | D | 93.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118 | 175.4 | -70.4 | -23.9 | 0 | 0 | 0 | 110.2 | G95 V96 M116 S118 | G95-D123 WeakPolarHBondContact CA-OD2 3.39Å; V96-D123 WeakPolarHBondContact CA-OD2 3.28Å; V96-D123 PolarHBondContact N-OD2 2.69Å; M116-D123 HydrophobicContact CE-CB 4.43Å; S118-D123 VanDerWaalsContact CA-OD1 3.29Å; S118-D123 WeakPolarHBondContact CA-OD1 3.06Å; S118-D123 WeakPolarHBondContact CB-OD1 3.4Å; S118-D123 PolarHBondContact OG-OD1 2.86Å |
| 124 | F | 97.2 | Very high | 96 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 7% | 0.07 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.2 | 172.6 | -58.5 | -76.7 | 0 | 0 | 0 | 110 | L6 F41 A78 L117 T119 T122 L126 I234 | L6-F124 HydrophobicContact CD1-CD1 3.76Å; L6-F124 HydrophobicContact CD1-CE1 3.56Å; F41-F124 HydrophobicContact CE2-CD1 4.23Å; F41-F124 HydrophobicContact CE2-CD2 4.41Å; F41-F124 HydrophobicContact CE2-CE1 4.32Å; F41-F124 HydrophobicContact CE2-CG 4.27Å; F41-F124 HydrophobicContact CE2-CZ 4.45Å; F41-F124 HydrophobicContact CZ-CD2 4.31Å; F41-F124 HydrophobicContact CZ-CG 4.33Å; A78-F124 HydrophobicContact CB-CD1 4.38Å; L117-F124 HydrophobicContact CB-CB 4.34Å; L117-F124 HydrophobicContact CD2-CD2 4.23Å; L117-F124 HydrophobicContact CG-CD2 4.5Å; L117-F124 PolarHBondContact N-O 2.71Å; L117-F124 PolarHBondContact O-N 2.64Å; T119-F124 HydrophobicContact CG2-CD2 4.04Å; T119-F124 HydrophobicContact CG2-CE2 3.81Å; T122-F124 HydrophobicContact CG2-CD1 4.3Å; T122-F124 HydrophobicContact CG2-CD2 4.21Å; T122-F124 HydrophobicContact CG2-CE1 3.79Å; T122-F124 HydrophobicContact CG2-CE2 3.68Å; T122-F124 HydrophobicContact CG2-CZ 3.46Å; T122-F124 VanDerWaalsContact CG2-CZ 3.46Å; F124-L126 HydrophobicContact CB-CD1 3.9Å; F124-I234 HydrophobicContact CD2-CD1 4.16Å; F124-I234 HydrophobicContact CE2-CD1 3.66Å; F124-I234 HydrophobicContact CE2-CG2 4.3Å; F124-I234 HydrophobicContact CZ-CD1 4.31Å; F124-I234 HydrophobicContact CZ-CG2 3.87Å |
| 125 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 111.5 | 169.6 | -48.8 | 101.3 | 0 | 0 | 0 | 107.6 | L79 V81 I99 V103 I104 L107 V114 M116 | L79-I125 HydrophobicContact CB-CB 4.28Å; L79-I125 HydrophobicContact CB-CD1 4.49Å; L79-I125 WeakPolarHBondContact CB-O 3.24Å; L79-I125 WeakPolarHBondContact CG-O 3.32Å; L79-I125 PolarHBondContact N-O 3.48Å; L79-I125 PolarHBondContact O-N 2.74Å; V81-I125 HydrophobicContact CG2-CD1 4.37Å; I99-I125 HydrophobicContact CD1-CD1 3.67Å; I99-I125 HydrophobicContact CD1-CG1 3.85Å; V103-I125 HydrophobicContact CG1-CD1 4.35Å; V103-I125 HydrophobicContact CG1-CG1 4.5Å; I104-I125 HydrophobicContact CD1-CG1 4.18Å; I104-I125 HydrophobicContact CD1-CG2 4.4Å; L107-I125 HydrophobicContact CD1-CG2 4.33Å; V114-I125 HydrophobicContact CB-CG2 3.99Å; V114-I125 HydrophobicContact CG1-CG2 3.92Å; M116-I125 HydrophobicContact CE-CG1 4.07Å; M116-I125 HydrophobicContact SD-CB 4.16Å; M116-I125 HydrophobicContact SD-CG1 3.79Å; M116-I125 HydrophobicContact SD-CG2 4.01Å |
| 126 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.1 | 176 | -80.7 | 64.2 | 0 | 0 | 0 | 109.7 | L10 V12 I54 W76 L77 A78 V114 F115 F124 | L10-L126 HydrophobicContact CD1-CD1 4.32Å; L10-L126 HydrophobicContact CD1-CD2 3.77Å; L10-L126 HydrophobicContact CD1-CG 3.94Å; V12-L126 HydrophobicContact CG2-CD2 4.37Å; I54-L126 HydrophobicContact CD1-CD2 4.37Å; I54-L126 HydrophobicContact CG2-CD2 3.63Å; W76-L126 HydrophobicContact CB-CB 4.28Å; W76-L126 HydrophobicContact CB-CD2 4.11Å; W76-L126 HydrophobicContact CB-CG 4.4Å; W76-L126 HydrophobicContact CE3-CB 3.94Å; L77-L126 VanDerWaalsContact O-CA 3.3Å; L77-L126 WeakPolarHBondContact O-CA 3.46Å; A78-L126 HydrophobicContact CB-CD1 4.33Å; V114-L126 VanDerWaalsContact CA-O 3.32Å; V114-L126 WeakPolarHBondContact CA-O 3.42Å; F115-L126 HydrophobicContact CB-CB 4.01Å; F115-L126 PolarHBondContact N-O 3.16Å; F115-L126 WeakPolarHBondContact O-CA 3.48Å; F115-L126 WeakPolarHBondContact O-CB 3.34Å; F115-L126 PolarHBondContact O-N 3.39Å; F124-L126 HydrophobicContact CB-CD1 3.9Å |
| 127 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 149.3 | 173.8 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | W76 L77 L79 L107 I112 V114 E129 V135 | W76-V127 CarbonylContact C-O 3.48Å; W76-V127 WeakPolarHBondContact CA-O 3.49Å; L77-V127 HydrophobicContact CB-CG2 4.3Å; L77-V127 PolarHBondContact N-O 2.82Å; L77-V127 PolarHBondContact O-N 2.79Å; L79-V127 HydrophobicContact CD1-CG1 3.76Å; L79-V127 HydrophobicContact CD1-CG2 3.92Å; L79-V127 HydrophobicContact CD2-CG2 4.22Å; L79-V127 HydrophobicContact CG-CG2 4.03Å; L107-V127 HydrophobicContact CD1-CG1 4.38Å; I112-V127 HydrophobicContact CG2-CG1 4.39Å; V114-V127 HydrophobicContact CG1-CG1 4.17Å; V127-E129 PolarHBondContact O-N 3.47Å; V127-V135 HydrophobicContact CB-CG2 3.99Å; V127-V135 HydrophobicContact CG1-CG2 3.84Å; V127-V135 HydrophobicContact CG2-CG2 4.08Å |
| 128 | R | 98.1 | Very high | 95.1 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 138.6 | 175.2 | -60.2 | 176.5 | -66.5 | -156.2 | -3 | 109.2 | A74 T75 W76 R130 D131 F276 D277 | A74-R128 HydrophobicContact CB-CB 4.21Å; A74-R128 HydrophobicContact CB-CG 3.7Å; T75-R128 WeakPolarHBondContact O-CA 3.37Å; W76-R128 HydrophobicContact CD2-CG 4.14Å; W76-R128 HydrophobicContact CE3-CG 3.92Å; W76-R128 HydrophobicContact CH2-CG 3.75Å; W76-R128 HydrophobicContact CZ2-CG 3.96Å; W76-R128 HydrophobicContact CZ3-CG 3.73Å; R128-R130 HydrophobicContact CB-CG 4.07Å; R128-R130 VanDerWaalsContact CZ-NH2 3.33Å; R128-R130 PolarHBondContact O-N 2.77Å; R128-R130 VanDerWaalsContact O-N 3.16Å; R128-D131 IonicContact CZ-OD2 2.71Å; R128-D131 VanDerWaalsContact CZ-OD2 3.23Å; R128-D131 IonicContact NE-OD2 3.29Å; R128-D131 PolarHBondContact NE-OD2 2.87Å; R128-D131 IonicContact NH2-OD1 2.72Å; R128-D131 IonicContact NH2-OD2 3.16Å; R128-D131 PolarHBondContact NH2-OD2 2.82Å; R128-D131 PolarHBondContact O-N 3.01Å; R128-F276 PolarHBondContact NH1-O 2.78Å; R128-D277 IonicContact CZ-OD1 3.59Å; R128-D277 IonicContact NH1-OD1 3.73Å; R128-D277 PolarHBondContact NH1-OD1 2.86Å |
| 129 | E | 96.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 32.6 Ų | 32.6 | 50% | 0.495 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -54.7 | -38.9 | -179.3 | -179.6 | 176.1 | -155.2 | 0 | 0 | 112.1 | T75 L77 V127 D131 L132 | T75-E129 PolarHBondContact O-N 2.85Å; L77-E129 HydrophobicContact CD1-CB 4.22Å; L77-E129 HydrophobicContact CD1-CG 4.13Å; L77-E129 HydrophobicContact CG-CB 4.09Å; L77-E129 HydrophobicContact CG-CG 4.37Å; V127-E129 PolarHBondContact O-N 3.47Å; E129-D131 PolarHBondContact O-N 2.84Å; E129-L132 VanDerWaalsContact O-CB 3.25Å; E129-L132 WeakPolarHBondContact O-CB 3.19Å; E129-L132 PolarHBondContact O-N 3Å; E129-L132 VanDerWaalsContact O-N 3.13Å |
| 130 | R | 95.6 | Very high | 94.7 | Very high | 157 Ų | 157 | 35.3 Ų | 35.3 | 59% | 0.592 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -60.4 | -26.1 | 176.6 | 70.6 | 179.8 | -177.8 | -167.1 | -1.7 | 114.1 | R128 D277 | R128-R130 HydrophobicContact CB-CG 4.07Å; R128-R130 VanDerWaalsContact CZ-NH2 3.33Å; R128-R130 PolarHBondContact O-N 2.77Å; R128-R130 VanDerWaalsContact O-N 3.16Å; R130-D277 IonicContact NH2-OD1 3.68Å |
| 131 | D | 95.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -91.2 | -6.5 | -177.8 | -62 | -25 | 0 | 0 | 0 | 111.9 | I112 R128 E129 P133 M134 V135 | I112-D131 HydrophobicContact CG2-CB 4.17Å; R128-D131 IonicContact CZ-OD2 2.71Å; R128-D131 VanDerWaalsContact CZ-OD2 3.23Å; R128-D131 IonicContact NE-OD2 3.29Å; R128-D131 PolarHBondContact NE-OD2 2.87Å; R128-D131 IonicContact NH2-OD1 2.72Å; R128-D131 IonicContact NH2-OD2 3.16Å; R128-D131 PolarHBondContact NH2-OD2 2.82Å; R128-D131 PolarHBondContact O-N 3.01Å; E129-D131 PolarHBondContact O-N 2.84Å; D131-P133 VanDerWaalsContact C-CD 3.46Å; D131-M134 WeakPolarHBondContact O-CB 3.39Å; D131-M134 PolarHBondContact O-N 2.88Å; D131-V135 WeakPolarHBondContact O-CG2 3.46Å; D131-V135 PolarHBondContact O-N 3.01Å |
| 132 | L | 95.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.126 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.6 | -42.8 | -177 | -177.6 | 66.5 | 0 | 0 | 0 | 114.1 | I5 L77 E129 M134 V135 M136 | I5-L132 HydrophobicContact CD1-CD1 3.98Å; I5-L132 HydrophobicContact CG1-CD1 4.3Å; I5-L132 HydrophobicContact CG2-CD1 4.42Å; L77-L132 HydrophobicContact CD1-CB 4.11Å; L77-L132 HydrophobicContact CD1-CD1 4.07Å; L77-L132 HydrophobicContact CD1-CD2 3.69Å; L77-L132 HydrophobicContact CD1-CG 4.16Å; E129-L132 VanDerWaalsContact O-CB 3.25Å; E129-L132 WeakPolarHBondContact O-CB 3.19Å; E129-L132 PolarHBondContact O-N 3Å; E129-L132 VanDerWaalsContact O-N 3.13Å; L132-M134 VanDerWaalsContact C-N 3.28Å; L132-M134 PolarHBondContact O-N 3.23Å; L132-V135 WeakPolarHBondContact O-CB 3.5Å; L132-V135 PolarHBondContact O-N 3.43Å; L132-M136 HydrophobicContact CD1-CG 4.14Å; L132-M136 HydrophobicContact CG-CG 4.32Å; L132-M136 HydrophobicContact CG-SD 4.31Å; L132-M136 WeakPolarHBondContact O-CG 3.32Å; L132-M136 PolarHBondContact O-N 3.12Å |
| 133 | P | 93.6 | Very high | 94 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 31% | 0.312 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 177 | -24.3 | 35.4 | 0 | 0 | 0 | 112.8 | D131 H137 L159 V161 | D131-P133 VanDerWaalsContact C-CD 3.46Å; P133-H137 WeakPolarHBondContact O-CB 3.38Å; P133-H137 PolarHBondContact O-N 3.5Å; P133-H137 VanDerWaalsContact O-N 3.07Å; P133-L159 HydrophobicContact CB-CD1 4.48Å; P133-L159 HydrophobicContact CG-CD1 4.19Å; P133-V161 HydrophobicContact CB-CG2 4.29Å |
| 134 | M | 93 | Very high | 93.9 | Very high | 60 Ų | 60 | 44.8 Ų | 44.8 | 30% | 0.296 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.2 | -43.8 | 176.2 | -172.2 | 77.8 | 85.7 | 0 | 0 | 110.7 | H110 I112 D131 L132 M136 H137 T138 F165 | H110-M134 HydrophobicContact CB-CG 4.39Å; I112-M134 HydrophobicContact CD1-CB 4.06Å; I112-M134 HydrophobicContact CD1-CG 3.55Å; I112-M134 HydrophobicContact CG1-CB 4.45Å; I112-M134 HydrophobicContact CG1-CG 3.96Å; D131-M134 WeakPolarHBondContact O-CB 3.39Å; D131-M134 PolarHBondContact O-N 2.88Å; L132-M134 VanDerWaalsContact C-N 3.28Å; L132-M134 PolarHBondContact O-N 3.23Å; M134-M136 VanDerWaalsContact C-N 3.32Å; M134-M136 PolarHBondContact O-N 3.34Å; M134-H137 WeakPolarHBondContact O-CB 3.32Å; M134-H137 PolarHBondContact O-N 2.67Å; M134-H137 VanDerWaalsContact O-N 3.16Å; M134-T138 WeakPolarHBondContact O-CB 3.35Å; M134-T138 PolarHBondContact O-N 3.41Å; M134-T138 PolarHBondContact O-OG1 3.49Å; M134-F165 HydrophobicContact CE-CD1 4.26Å; M134-F165 HydrophobicContact CE-CE1 3.59Å; M134-F165 HydrophobicContact SD-CD1 3.8Å; M134-F165 HydrophobicContact SD-CE1 3.3Å; M134-F165 WeakPolarHBondContact SD-CE1 3.3Å; M134-F165 HydrophobicContact SD-CZ 4.12Å |
| 135 | V | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.4 | -49.5 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L79 L107 I112 V127 D131 L132 H137 T138 L139 | L79-V135 HydrophobicContact CD1-CG1 3.68Å; L107-V135 HydrophobicContact CD2-CB 4.33Å; L107-V135 HydrophobicContact CD2-CG1 4.21Å; L107-V135 HydrophobicContact CD2-CG2 4.03Å; I112-V135 HydrophobicContact CD1-CG2 4.02Å; I112-V135 HydrophobicContact CG2-CG2 3.88Å; V127-V135 HydrophobicContact CB-CG2 3.99Å; V127-V135 HydrophobicContact CG1-CG2 3.84Å; V127-V135 HydrophobicContact CG2-CG2 4.08Å; D131-V135 WeakPolarHBondContact O-CG2 3.46Å; D131-V135 PolarHBondContact O-N 3.01Å; L132-V135 WeakPolarHBondContact O-CB 3.5Å; L132-V135 PolarHBondContact O-N 3.43Å; V135-H137 PolarHBondContact O-N 3.37Å; V135-T138 PolarHBondContact O-N 3.05Å; V135-L139 HydrophobicContact CG1-CD1 4.01Å; V135-L139 WeakPolarHBondContact O-CB 3.4Å; V135-L139 WeakPolarHBondContact O-CG 3.29Å; V135-L139 PolarHBondContact O-N 3.29Å |
| 136 | M | 93.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 178.4 | -69.8 | -174.1 | 71.4 | 0 | 0 | 111.3 | I5 L132 M134 S140 L145 A156 N157 | I5-M136 HydrophobicContact CD1-CG 4.24Å; I5-M136 HydrophobicContact CD1-SD 4.24Å; L132-M136 HydrophobicContact CD1-CG 4.14Å; L132-M136 HydrophobicContact CG-CG 4.32Å; L132-M136 HydrophobicContact CG-SD 4.31Å; L132-M136 WeakPolarHBondContact O-CG 3.32Å; L132-M136 PolarHBondContact O-N 3.12Å; M134-M136 VanDerWaalsContact C-N 3.32Å; M134-M136 PolarHBondContact O-N 3.34Å; M136-S140 WeakPolarHBondContact O-CB 3.32Å; M136-S140 PolarHBondContact O-N 3.1Å; M136-S140 PolarHBondContact O-OG 3.38Å; M136-L145 HydrophobicContact CB-CD1 3.79Å; M136-L145 HydrophobicContact CE-CD1 3.85Å; M136-L145 HydrophobicContact CG-CD1 4.06Å; M136-L145 WeakPolarHBondContact O-CD1 3.37Å; M136-A156 HydrophobicContact CE-CB 3.59Å; M136-N157 WeakPolarHBondContact CE-O 3.48Å |
| 137 | H | 91.5 | Very high | 93.4 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -53.6 | 175.6 | -179.2 | 82.4 | 0 | 0 | 0 | 111.3 | P133 M134 V135 L139 S140 V161 F165 | P133-H137 WeakPolarHBondContact O-CB 3.38Å; P133-H137 PolarHBondContact O-N 3.5Å; P133-H137 VanDerWaalsContact O-N 3.07Å; M134-H137 WeakPolarHBondContact O-CB 3.32Å; M134-H137 PolarHBondContact O-N 2.67Å; M134-H137 VanDerWaalsContact O-N 3.16Å; V135-H137 PolarHBondContact O-N 3.37Å; H137-L139 VanDerWaalsContact C-N 3.31Å; H137-L139 PolarHBondContact O-N 3.12Å; H137-S140 PolarHBondContact O-N 3.1Å; H137-S140 PolarHBondContact O-OG 2.84Å; H137-V161 PolarHBondContact ND1-O 2.94Å; H137-F165 AromaticContact CD2-CD2 3.98Å; H137-F165 AromaticContact CD2-CG 3.91Å; H137-F165 AromaticContact CE1-CD2 3.57Å; H137-F165 AromaticContact NE2-CD2 3.54Å; H137-F165 AromaticContact NE2-CG 3.52Å |
| 138 | T | 91.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -39.2 | -177.5 | -64.5 | 0 | 0 | 0 | 0 | 113 | P106 L107 H110 M134 V135 | P106-T138 HydrophobicContact CB-CG2 3.7Å; P106-T138 WeakPolarHBondContact O-CG2 3.4Å; L107-T138 HydrophobicContact CD2-CG2 4.21Å; H110-T138 VanDerWaalsContact CG-OG1 3.3Å; H110-T138 WeakPolarHBondContact ND1-CG2 3.38Å; H110-T138 PolarHBondContact ND1-OG1 3.46Å; M134-T138 WeakPolarHBondContact O-CB 3.35Å; M134-T138 PolarHBondContact O-N 3.41Å; M134-T138 PolarHBondContact O-OG1 3.49Å; V135-T138 PolarHBondContact O-N 3.05Å |
| 139 | L | 93.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -99.7 | -10.8 | -172.9 | -58.7 | 178.5 | 0 | 0 | 0 | 113.9 | L3 V103 P106 L107 V135 H137 S141 E142 F143 L145 | L3-L139 HydrophobicContact CD2-CB 4.17Å; L3-L139 HydrophobicContact CD2-CD1 3.48Å; L3-L139 VanDerWaalsContact CD2-CD1 3.48Å; L3-L139 HydrophobicContact CD2-CG 4.48Å; V103-L139 HydrophobicContact CG1-CD1 4.08Å; V103-L139 HydrophobicContact CG1-CD2 4.49Å; P106-L139 HydrophobicContact CB-CD2 4.2Å; L107-L139 HydrophobicContact CD1-CD1 4.46Å; L107-L139 HydrophobicContact CD2-CD1 4.04Å; L107-L139 HydrophobicContact CD2-CD2 4.42Å; L107-L139 HydrophobicContact CD2-CG 4.16Å; L107-L139 HydrophobicContact CG-CD1 4.38Å; L107-L139 HydrophobicContact CG-CD2 4.49Å; V135-L139 HydrophobicContact CG1-CD1 4.01Å; V135-L139 WeakPolarHBondContact O-CB 3.4Å; V135-L139 WeakPolarHBondContact O-CG 3.29Å; V135-L139 PolarHBondContact O-N 3.29Å; H137-L139 VanDerWaalsContact C-N 3.31Å; H137-L139 PolarHBondContact O-N 3.12Å; L139-S141 PolarHBondContact O-N 2.88Å; L139-S141 VanDerWaalsContact O-N 3.16Å; L139-E142 PolarHBondContact O-N 3.1Å; L139-F143 HydrophobicContact CB-CD2 4.2Å; L139-F143 PolarHBondContact O-N 2.84Å; L139-L145 HydrophobicContact CB-CD2 4.42Å |
| 140 | S | 91.3 | Very high | 92.3 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 42% | 0.42 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.8 | -177.4 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | M136 H137 | M136-S140 WeakPolarHBondContact O-CB 3.32Å; M136-S140 PolarHBondContact O-N 3.1Å; M136-S140 PolarHBondContact O-OG 3.38Å; H137-S140 PolarHBondContact O-N 3.1Å; H137-S140 PolarHBondContact O-OG 2.84Å |
| 141 | S | 85.7 | Confident | 91.9 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -26.1 | 178.6 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | L139 | L139-S141 PolarHBondContact O-N 2.88Å; L139-S141 VanDerWaalsContact O-N 3.16Å |
| 142 | E | 87.1 | Confident | 91.6 | Very high | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -21.8 | -173.8 | -63.5 | -64.1 | 155.1 | 0 | 0 | 112.6 | L139 | L139-E142 PolarHBondContact O-N 3.1Š|
| 143 | F | 90.9 | Very high | 91.4 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -127.1 | 140.8 | -173.1 | -63.8 | -89.8 | 0 | 0 | 0 | 112.8 | M1 L3 V81 S102 V103 L139 L145 | M1-F143 HydrophobicContact CB-CD1 3.71Å; M1-F143 HydrophobicContact CB-CE1 3.63Å; M1-F143 HydrophobicContact SD-CE1 4.17Å; L3-F143 HydrophobicContact CB-CB 3.84Å; L3-F143 HydrophobicContact CB-CD1 4.11Å; L3-F143 HydrophobicContact CB-CG 4.02Å; V81-F143 HydrophobicContact CG1-CE1 3.78Å; V81-F143 HydrophobicContact CG2-CE1 4.4Å; S102-F143 WeakPolarHBondContact O-CE2 3.41Å; V103-F143 HydrophobicContact CG2-CE1 4.5Å; V103-F143 HydrophobicContact CG2-CE2 3.82Å; V103-F143 HydrophobicContact CG2-CZ 3.61Å; L139-F143 HydrophobicContact CB-CD2 4.2Å; L139-F143 PolarHBondContact O-N 2.84Å; F143-L145 HydrophobicContact CB-CD2 4.05Å; F143-L145 PolarHBondContact O-N 2.68Å |
| 144 | T | 92.3 | Very high | 91.4 | Very high | 86 Ų | 86 | 60.4 Ų | 60.4 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 115.8 | 158 | -54.2 | 0 | 0 | 0 | 0 | 107.6 | M1 E2 L3 M146 | M1-T144 PolarHBondContact O-N 2.82Å; M1-T144 VanDerWaalsContact O-N 3.16Å; E2-T144 WeakPolarHBondContact CA-O 3.23Å; L3-T144 PolarHBondContact N-O 2.91Å; T144-M146 HydrophobicContact CG2-SD 3.81Å |
| 145 | L | 93.8 | Very high | 91.3 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 7% | 0.073 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.5 | -178.2 | -54 | -176.8 | 0 | 0 | 0 | 110 | L3 M136 L139 F143 A156 | L3-L145 HydrophobicContact CB-CD2 3.98Å; L3-L145 HydrophobicContact CD2-CD2 3.8Å; M136-L145 HydrophobicContact CB-CD1 3.79Å; M136-L145 HydrophobicContact CE-CD1 3.85Å; M136-L145 HydrophobicContact CG-CD1 4.06Å; M136-L145 WeakPolarHBondContact O-CD1 3.37Å; L139-L145 HydrophobicContact CB-CD2 4.42Å; F143-L145 HydrophobicContact CB-CD2 4.05Å; F143-L145 PolarHBondContact O-N 2.68Å; L145-A156 HydrophobicContact CB-CB 3.91Å; L145-A156 PolarHBondContact O-N 2.81Å |
| 146 | M | 94.3 | Very high | 91 | Very high | 28 Ų | 28 | 61.6 Ų | 61.6 | 14% | 0.138 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.2 | 177.9 | -54.4 | -54.5 | -72.9 | 0 | 0 | 109.5 | E2 L3 H4 I5 T144 T153 V154 | E2-M146 HydrophobicContact CB-CG 4.28Å; E2-M146 HydrophobicContact CG-CG 4.46Å; L3-M146 PolarHBondContact O-N 2.95Å; H4-M146 WeakPolarHBondContact CA-O 3.43Å; I5-M146 PolarHBondContact N-O 3.13Å; T144-M146 HydrophobicContact CG2-SD 3.81Å; M146-T153 HydrophobicContact CB-CG2 3.63Å; M146-T153 HydrophobicContact CE-CG2 3.61Å; M146-T153 HydrophobicContact CG-CG2 4.07Å; M146-V154 CarbonylContact C-O 3.55Å; M146-V154 WeakPolarHBondContact CA-O 3.47Å |
| 147 | R | 94 | Very high | 90.2 | Very high | 128 Ų | 128 | 67.8 Ų | 67.8 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.6 | 173.2 | -172.1 | 176.8 | -172.8 | -172.9 | 3.8 | 109.1 | I5 V149 V154 A156 | I5-R147 HydrophobicContact CB-CG 4.34Å; I5-R147 WeakPolarHBondContact O-CA 3.42Å; R147-V149 HydrophobicContact CG-CG2 4.03Å; R147-V154 HydrophobicContact CB-CG2 4.34Å; R147-V154 PolarHBondContact N-O 2.89Å; R147-V154 WeakPolarHBondContact O-CG2 3.43Å; R147-V154 PolarHBondContact O-N 3.23Å; R147-A156 HydrophobicContact CB-CB 4.24Å |
| 148 | V | 92.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 69 Ų | 69 | 12% | 0.121 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.9 | 171 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | I5 L6 E7 E152 | I5-V148 PolarHBondContact O-N 2.98Å; L6-V148 HydrophobicContact CD2-CG2 4.08Å; E7-V148 HydrophobicContact CB-CB 4.42Å; E7-V148 HydrophobicContact CB-CG1 4.34Å; E7-V148 WeakPolarHBondContact CB-O 3.36Å; E7-V148 HydrophobicContact CG-CG1 4.17Å; V148-E152 CarbonylContact C-O 3.56Å; V148-E152 WeakPolarHBondContact CA-O 3.47Å |
| 149 | V | 90.1 | Very high | 87.4 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 115.6 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | R147 G151 E152 V154 | R147-V149 HydrophobicContact CG-CG2 4.03Å; V149-G151 PolarHBondContact O-N 3.34Å; V149-E152 PolarHBondContact N-O 3.42Å; V149-E152 PolarHBondContact O-N 3.07Å; V149-V154 HydrophobicContact CG2-CG2 4Å |
| 150 | N | 88 | Confident | 85.4 | Confident | 149 Ų | 149 | 76.8 Ų | 76.8 | 80% | 0.797 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 38.8 | -175.4 | -55.2 | -42.5 | 0 | 0 | 0 | 112.4 | E7 E152 | E7-N150 VanDerWaalsContact OE2-CA 3.23Å; E7-N150 WeakPolarHBondContact OE2-CA 3.5Å; E7-N150 PolarHBondContact OE2-N 2.91Å; N150-E152 PolarHBondContact O-N 2.97Å |
| 151 | G | 86.2 | Confident | 83.8 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 56% | 0.557 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -1.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E7 V149 | E7-G151 PolarHBondContact OE2-N 2.81Å; V149-G151 PolarHBondContact O-N 3.34Å |
| 152 | E | 89.9 | Confident | 82.2 | Confident | 141 Ų | 141 | 77.5 Ų | 77.5 | 66% | 0.659 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.8 | 176.5 | -64.3 | -171 | 161.4 | 0 | 0 | 111.7 | V148 V149 N150 | V148-E152 CarbonylContact C-O 3.56Å; V148-E152 WeakPolarHBondContact CA-O 3.47Å; V149-E152 PolarHBondContact N-O 3.42Å; V149-E152 PolarHBondContact O-N 3.07Å; N150-E152 PolarHBondContact O-N 2.97Å |
| 153 | T | 91.6 | Very high | 80.1 | Confident | 71 Ų | 71 | 78.3 Ų | 78.3 | 44% | 0.436 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.7 | 176.7 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | H4 M146 | H4-T153 VanDerWaalsContact CE1-CG2 3.44Å; H4-T153 WeakPolarHBondContact CE1-CG2 3.45Å; M146-T153 HydrophobicContact CB-CG2 3.63Å; M146-T153 HydrophobicContact CE-CG2 3.61Å; M146-T153 HydrophobicContact CG-CG2 4.07Å |
| 154 | V | 93.2 | Very high | 78.4 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 38% | 0.382 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | M146 R147 V149 A156 | M146-V154 CarbonylContact C-O 3.55Å; M146-V154 WeakPolarHBondContact CA-O 3.47Å; R147-V154 HydrophobicContact CB-CG2 4.34Å; R147-V154 PolarHBondContact N-O 2.89Å; R147-V154 WeakPolarHBondContact O-CG2 3.43Å; R147-V154 PolarHBondContact O-N 3.23Å; V149-V154 HydrophobicContact CG2-CG2 4Å; V154-A156 PolarHBondContact O-N 2.96Å |
| 155 | A | 92 | Very high | 76.8 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N157 | A155-N157 PolarHBondContact O-N 2.95Å |
| 156 | A | 87.4 | Confident | 75.1 | Confident | 20 Ų | 20 | 85.5 Ų | 85.5 | 17% | 0.165 | 52% | 0.522 | C | S | . | . | trans | -87.1 | 109.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I5 M136 L145 R147 V154 S158 | I5-A156 HydrophobicContact CD1-CB 4.22Å; M136-A156 HydrophobicContact CE-CB 3.59Å; L145-A156 HydrophobicContact CB-CB 3.91Å; L145-A156 PolarHBondContact O-N 2.81Å; R147-A156 HydrophobicContact CB-CB 4.24Å; V154-A156 PolarHBondContact O-N 2.96Å; A156-S158 PolarHBondContact O-N 3.23Å | ||
| 157 | N | 77.1 | Confident | 73.4 | Confident | 143 Ų | 143 | 93.2 Ų | 93.2 | 77% | 0.765 | 56% | 0.555 | S | S | * | * | trans | -68.8 | 129.6 | 177.3 | -68.6 | -22.2 | 0 | 0 | 0 | 110.1 | M136 A155 L159 | M136-N157 WeakPolarHBondContact CE-O 3.48Å; A155-N157 PolarHBondContact O-N 2.95Å; N157-L159 PolarHBondContact O-N 3.18Å; N157-L159 VanDerWaalsContact O-N 3.1Å | ||
| 158 | S | 63.6 | Low | 71.7 | Confident | 90 Ų | 90 | 89 Ų | 89 | 63% | 0.629 | 54% | 0.544 | S | S | * | . | trans | -60.8 | 115.2 | 175.6 | 64.5 | 0 | 0 | 0 | 0 | 109.8 | A156 G160 | A156-S158 PolarHBondContact O-N 3.23Å; S158-G160 PolarHBondContact O-N 3.13Å; S158-G160 VanDerWaalsContact O-N 3.1Å | ||
| 159 | L | 60.6 | Low | 70.2 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 58% | 0.576 | 58% | 0.576 | S | S | * | * | trans | -59.7 | 114.8 | 165.1 | -69.1 | 159.7 | 0 | 0 | 0 | 106.1 | P133 N157 V161 | P133-L159 HydrophobicContact CB-CD1 4.48Å; P133-L159 HydrophobicContact CG-CD1 4.19Å; N157-L159 PolarHBondContact O-N 3.18Å; N157-L159 VanDerWaalsContact O-N 3.1Å; L159-V161 PolarHBondContact O-N 3.16Å | ||
| 160 | G | 52.8 | Low | 69 | Low | 68 Ų | 68 | 101.1 Ų | 101.1 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | trans | -65.7 | 57.7 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S158 T162 | S158-G160 PolarHBondContact O-N 3.13Å; S158-G160 VanDerWaalsContact O-N 3.1Å; G160-T162 PolarHBondContact O-N 2.97Å | ||
| 161 | V | 56.8 | Low | 68 | Low | 62 Ų | 62 | 97.9 Ų | 97.9 | 38% | 0.376 | 58% | 0.582 | S | S | . | * | trans | -86.5 | 98 | 172.1 | -153.5 | 0 | 0 | 0 | 0 | 107 | P133 H137 L159 F165 | P133-V161 HydrophobicContact CB-CG2 4.29Å; H137-V161 PolarHBondContact ND1-O 2.94Å; L159-V161 PolarHBondContact O-N 3.16Å; V161-F165 HydrophobicContact CB-CE2 3.88Å; V161-F165 HydrophobicContact CB-CZ 4.15Å; V161-F165 HydrophobicContact CG1-CE2 3.49Å; V161-F165 VanDerWaalsContact CG1-CE2 3.49Å; V161-F165 HydrophobicContact CG1-CZ 3.54Å; V161-F165 WeakPolarHBondContact O-CE2 3.46Å | ||
| 162 | T | 52.1 | Low | 67.6 | Low | 110 Ų | 110 | 100.7 Ų | 100.7 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | trans | -119.5 | -5.5 | -177.9 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | G160 | G160-T162 PolarHBondContact O-N 2.97Š| ||
| 163 | N | 43.1 | Very low | 67.4 | Low | 149 Ų | 149 | 95.6 Ų | 95.6 | 80% | 0.797 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -100.7 | 111.9 | -172.3 | -73.2 | -16.3 | 0 | 0 | 0 | 112.1 | ||
| 164 | G | 55.3 | Low | 67.3 | Low | 72 Ų | 72 | 94.8 Ų | 94.8 | 74% | 0.742 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 104.4 | 3.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | V166 | G164-V166 PolarHBondContact O-N 3.18Š|
| 165 | F | 57.8 | Low | 67.1 | Low | 68 Ų | 68 | 92.4 Ų | 92.4 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | trans | -75 | 113.7 | -179.2 | -63.3 | -70.2 | 0 | 0 | 0 | 111.7 | M134 H137 V161 | M134-F165 HydrophobicContact CE-CD1 4.26Å; M134-F165 HydrophobicContact CE-CE1 3.59Å; M134-F165 HydrophobicContact SD-CD1 3.8Å; M134-F165 HydrophobicContact SD-CE1 3.3Å; M134-F165 WeakPolarHBondContact SD-CE1 3.3Å; M134-F165 HydrophobicContact SD-CZ 4.12Å; H137-F165 AromaticContact CD2-CD2 3.98Å; H137-F165 AromaticContact CD2-CG 3.91Å; H137-F165 AromaticContact CE1-CD2 3.57Å; H137-F165 AromaticContact NE2-CD2 3.54Å; H137-F165 AromaticContact NE2-CG 3.52Å; V161-F165 HydrophobicContact CB-CE2 3.88Å; V161-F165 HydrophobicContact CB-CZ 4.15Å; V161-F165 HydrophobicContact CG1-CE2 3.49Å; V161-F165 VanDerWaalsContact CG1-CE2 3.49Å; V161-F165 HydrophobicContact CG1-CZ 3.54Å; V161-F165 WeakPolarHBondContact O-CE2 3.46Å | ||
| 166 | V | 58.9 | Low | 67.1 | Low | 123 Ų | 123 | 94.4 Ų | 94.4 | 75% | 0.745 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 125.7 | 171.8 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | G164 P168 | G164-V166 PolarHBondContact O-N 3.18Å; V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.41Å; V166-P168 VanDerWaalsContact O-N 3.13Å |
| 167 | K | 58.8 | Low | 67.4 | Low | 190 Ų | 190 | 94.9 Ų | 94.9 | 83% | 0.826 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -57 | 118.3 | 171.1 | -167.9 | 173 | -175.3 | 174.4 | 0 | 108.1 | K169 | K167-K169 PolarHBondContact O-N 3.35Š|
| 168 | P | 59.1 | Low | 68.3 | Low | 39 Ų | 39 | 91.6 Ų | 91.6 | 25% | 0.253 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 141.8 | -179.4 | -15 | 24.2 | 0 | 0 | 0 | 109.7 | D109 H110 V166 | D109-P168 HydrophobicContact CB-CB 3.65Å; D109-P168 HydrophobicContact CB-CG 3.8Å; H110-P168 WeakPolarHBondContact CE1-CG 3.36Å; H110-P168 WeakPolarHBondContact NE2-CD 3.47Å; H110-P168 WeakPolarHBondContact NE2-CG 3.35Å; V166-P168 VanDerWaalsContact O-CD 3.31Å; V166-P168 WeakPolarHBondContact O-CD 3.41Å; V166-P168 VanDerWaalsContact O-N 3.13Å |
| 169 | K | 60.1 | Low | 69.8 | Low | 182 Ų | 182 | 90 Ų | 90 | 79% | 0.791 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 138.6 | 166.2 | -71.3 | -179 | 178.8 | 177.6 | 0 | 107.1 | K167 V171 | K167-K169 PolarHBondContact O-N 3.35Å; K169-V171 WeakPolarHBondContact O-CG2 3.43Å; K169-V171 PolarHBondContact O-N 3.38Å |
| 170 | L | 64.3 | Low | 71.3 | Confident | 153 Ų | 153 | 87.8 Ų | 87.8 | 80% | 0.801 | 51% | 0.509 | S | S | * | . | trans | -55.2 | 108.7 | 171.3 | -158.9 | 89.3 | 0 | 0 | 0 | 108.2 | ||||
| 171 | V | 68.1 | Low | 73.3 | Confident | 81 Ų | 81 | 87.7 Ų | 87.7 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | trans | -96.5 | 127.7 | -178.5 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | K169 R173 | K169-V171 WeakPolarHBondContact O-CG2 3.43Å; K169-V171 PolarHBondContact O-N 3.38Å; V171-R173 PolarHBondContact O-N 3.31Å | ||
| 172 | P | 77.5 | Confident | 75 | Confident | 113 Ų | 113 | 85.4 Ų | 85.4 | 73% | 0.734 | 48% | 0.484 | S | S | * | . | trans | -56.3 | 126.5 | 165.2 | -22.1 | 32.9 | 0 | 0 | 0 | 109.7 | P174 | P172-P174 WeakPolarHBondContact O-CD 3.32Š| ||
| 173 | R | 85.8 | Confident | 77 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 13% | 0.128 | 47% | 0.473 | C | S | . | . | trans | -108.9 | 88.7 | 179.1 | -61.6 | -176.2 | -158.5 | 81.9 | -7 | 109.1 | A105 D109 V171 Q284 E287 | A105-R173 PolarHBondContact O-NH2 2.88Å; D109-R173 IonicContact OD1-CZ 3.69Å; D109-R173 IonicContact OD1-NE 2.66Å; D109-R173 IonicContact OD1-NH2 3.76Å; D109-R173 PolarHBondContact OD1-NH2 2.84Å; D109-R173 IonicContact OD2-NH2 3.66Å; D109-R173 PolarHBondContact OD2-NH2 3.14Å; V171-R173 PolarHBondContact O-N 3.31Å; R173-Q284 HydrophobicContact CB-CG 3.94Å; R173-E287 IonicContact CZ-OE1 3.19Å; R173-E287 IonicContact CZ-OE2 2.69Å; R173-E287 IonicContact NH1-OE1 2.83Å; R173-E287 PolarHBondContact NH1-OE1 2.94Å; R173-E287 IonicContact NH1-OE2 2.67Å; R173-E287 PolarHBondContact NH1-OE2 3.01Å | ||
| 174 | P | 88.1 | Confident | 79.5 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 35% | 0.351 | 44% | 0.436 | S | S | . | . | trans | -64.2 | 151.2 | 174 | 29.4 | -34.6 | 0 | 0 | 0 | 109.5 | P172 I176 Q284 | P172-P174 WeakPolarHBondContact O-CD 3.32Å; P174-I176 HydrophobicContact CG-CG2 4.37Å; P174-I176 PolarHBondContact O-N 2.91Å; P174-Q284 VanDerWaalsContact O-CD 3.22Å; P174-Q284 WeakPolarHBondContact O-CG 3.07Å; P174-Q284 PolarHBondContact O-OE1 2.76Å | ||
| 175 | I | 90.5 | Very high | 81.4 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | trans | -73.7 | 119.5 | 173 | -56.5 | -175.3 | 0 | 0 | 0 | 107.5 | L179 Q284 I285 L321 N324 | I175-L179 HydrophobicContact CD1-CD1 4.18Å; I175-L179 HydrophobicContact CG2-CD1 4.18Å; I175-L179 HydrophobicContact CG2-CD2 4.19Å; I175-L179 HydrophobicContact CG2-CG 4.21Å; I175-Q284 HydrophobicContact CG1-CB 4.39Å; I175-I285 HydrophobicContact CD1-CD1 4.16Å; I175-I285 HydrophobicContact CG2-CD1 4.39Å; I175-L321 HydrophobicContact CD1-CB 3.68Å; I175-L321 HydrophobicContact CD1-CD2 3.63Å; I175-L321 HydrophobicContact CD1-CG 4.2Å; I175-L321 VanDerWaalsContact CD1-O 3.24Å; I175-L321 WeakPolarHBondContact CD1-O 3.47Å; I175-N324 HydrophobicContact CG1-CB 4.41Å | ||
| 176 | I | 92.3 | Very high | 83.2 | Confident | 109 Ų | 109 | 71 Ų | 71 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | trans | -108.7 | -20.9 | -178.6 | 64.5 | 178 | 0 | 0 | 0 | 113.1 | P174 | P174-I176 HydrophobicContact CG-CG2 4.37Å; P174-I176 PolarHBondContact O-N 2.91Å | ||
| 177 | H | 93.9 | Very high | 84.9 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 13% | 0.134 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -89.4 | 135.5 | 178.9 | -69.7 | -68.4 | 0 | 0 | 0 | 110.5 | L179 I269 L274 E278 | H177-L179 PolarHBondContact O-N 2.85Å; H177-I269 HydrophobicContact CB-CG2 3.79Å; H177-L274 VanDerWaalsContact CE1-CD2 3.47Å; H177-L274 WeakPolarHBondContact CE1-CD2 3.5Å; H177-L274 WeakPolarHBondContact ND1-CD2 3.31Å; H177-E278 IonicContact CD2-OE1 2.61Å; H177-E278 IonicContact CE1-OE1 3.03Å; H177-E278 IonicContact CE1-OE2 3.62Å; H177-E278 PolarHBondContact CE1-OE2 3.18Å; H177-E278 VanDerWaalsContact CE1-OE2 3.29Å; H177-E278 IonicContact NE2-OE1 3.88Å; H177-E278 PolarHBondContact NE2-OE1 3.31Å; H177-E278 IonicContact NE2-OE2 2.81Å; H177-E278 PolarHBondContact NE2-OE2 2.97Å; H177-E278 VanDerWaalsContact NE2-OE2 3.16Å |
| 178 | P | 94.5 | Very high | 86.6 | Confident | 75 Ų | 75 | 57 Ų | 57 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | trans | -64 | 142.4 | 177.7 | 29.1 | -34.9 | 0 | 0 | 0 | 109.8 | G270 G271 | P178-G270 PolarHBondContact O-N 3.47Å; P178-G271 VanDerWaalsContact CG-N 3.29Å | ||
| 179 | L | 94.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.7 | 179.9 | -52.1 | -178.8 | 0 | 0 | 0 | 109.5 | I175 H177 V267 R268 I269 I285 L321 | I175-L179 HydrophobicContact CD1-CD1 4.18Å; I175-L179 HydrophobicContact CG2-CD1 4.18Å; I175-L179 HydrophobicContact CG2-CD2 4.19Å; I175-L179 HydrophobicContact CG2-CG 4.21Å; H177-L179 PolarHBondContact O-N 2.85Å; L179-V267 HydrophobicContact CB-CG1 4.12Å; L179-V267 HydrophobicContact CD1-CG1 4.32Å; L179-V267 HydrophobicContact CD2-CG1 4.27Å; L179-V267 HydrophobicContact CG-CG1 4.48Å; L179-R268 WeakPolarHBondContact CA-O 3.39Å; L179-I269 HydrophobicContact CD2-CB 4.11Å; L179-I269 HydrophobicContact CD2-CG1 3.6Å; L179-I269 HydrophobicContact CD2-CG2 3.99Å; L179-I285 HydrophobicContact CD2-CD1 3.88Å; L179-L321 HydrophobicContact CD1-CB 3.98Å; L179-L321 HydrophobicContact CD1-CD1 3.83Å; L179-L321 HydrophobicContact CD1-CG 4.43Å |
| 180 | S | 93 | Very high | 90 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.2 | 170.8 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | V267 R268 | S180-V267 CarbonylContact O-C 3.56Å; S180-R268 PolarHBondContact N-O 3.18Å; S180-R268 PolarHBondContact O-N 3.31Å |
| 181 | S | 93.7 | Very high | 91.4 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 46% | 0.462 | 24% | 0.244 | S | C | . | . | trans | -124 | 103.8 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | M266 | S181-M266 WeakPolarHBondContact CA-O 3.37Å; S181-M266 WeakPolarHBondContact CB-O 3.43Å; S181-M266 PolarHBondContact OG-O 2.88Å | ||
| 182 | P | 94.2 | Very high | 92.6 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | trans | -68.1 | 152.8 | 173.4 | 29.7 | -34.8 | 0 | 0 | 0 | 110.7 | N184 G224 I226 M266 | P182-N184 PolarHBondContact O-N 2.83Å; P182-G224 CarbonylContact C-O 3.55Å; P182-G224 WeakPolarHBondContact CA-O 3.49Å; P182-G224 VanDerWaalsContact CB-O 3.3Å; P182-G224 WeakPolarHBondContact CB-O 3.47Å; P182-I226 HydrophobicContact CB-CB 3.9Å; P182-I226 HydrophobicContact CB-CG2 3.72Å; P182-I226 HydrophobicContact CG-CB 4.14Å; P182-I226 HydrophobicContact CG-CG2 3.52Å; P182-M266 HydrophobicContact CG-CB 3.96Å; P182-M266 HydrophobicContact CG-CG 4.18Å; P182-M266 HydrophobicContact CG-SD 4.1Å | ||
| 183 | S | 93.7 | Very high | 93.3 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 43% | 0.434 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -72.7 | -9.7 | -176.4 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | G224 K265 | S183-G224 PolarHBondContact N-O 2.89Å; S183-K265 PolarHBondContact O-NZ 3.46Å |
| 184 | N | 94.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | trans | -51.9 | 155.5 | 177 | -58.3 | 69.9 | 0 | 0 | 0 | 111.9 | P182 F186 H225 I226 K265 | P182-N184 PolarHBondContact O-N 2.83Å; N184-F186 HydrophobicContact CB-CD2 4.02Å; N184-F186 HydrophobicContact CB-CE1 4.27Å; N184-F186 HydrophobicContact CB-CE2 3.41Å; N184-F186 VanDerWaalsContact CB-CE2 3.41Å; N184-F186 HydrophobicContact CB-CZ 3.55Å; N184-H225 WeakPolarHBondContact OD1-CA 3.47Å; N184-H225 WeakPolarHBondContact OD1-CB 3.31Å; N184-I226 PolarHBondContact ND2-O 3.03Å; N184-I226 PolarHBondContact OD1-N 3.45Å; N184-K265 WeakPolarHBondContact O-CD 3.26Å; N184-K265 PolarHBondContact O-NZ 2.84Å; N184-K265 VanDerWaalsContact O-NZ 3.14Å | ||
| 185 | M | 95.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 14% | 0.138 | 25% | 0.245 | C | C | . | . | trans | -111.8 | 126.7 | 162.9 | -62.3 | -58 | -79.2 | 0 | 0 | 106.8 | D243 E244 L263 K265 E311 | M185-D243 CarbonylContact O-C 3.53Å; M185-D243 VanDerWaalsContact O-CA 3.24Å; M185-D243 WeakPolarHBondContact O-CA 3.4Å; M185-E244 HydrophobicContact CB-CB 4.18Å; M185-E244 PolarHBondContact O-N 2.84Å; M185-L263 HydrophobicContact CB-CB 4.45Å; M185-L263 HydrophobicContact CB-CD1 4.23Å; M185-L263 HydrophobicContact CB-CD2 4.43Å; M185-L263 HydrophobicContact CE-CB 3.35Å; M185-L263 HydrophobicContact CE-CD1 3.57Å; M185-L263 HydrophobicContact CE-CG 4.06Å; M185-L263 HydrophobicContact CG-CD1 4.47Å; M185-K265 HydrophobicContact SD-CD 3.7Å; M185-K265 WeakPolarHBondContact SD-CE 3.43Å; M185-K265 HydrophobicContact SD-CG 4.35Å; M185-K265 PolarHBondContact SD-NZ 3.25Å; M185-E311 HydrophobicContact CE-CB 3.74Å; M185-E311 HydrophobicContact CE-CG 3.37Å; M185-E311 WeakPolarHBondContact CE-OE2 3.15Å; M185-E311 HydrophobicContact SD-CG 4.17Å | ||
| 186 | F | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 148 | -178.4 | -68.1 | -80 | 0 | 0 | 0 | 111.3 | N184 I226 F228 V241 M242 D243 W264 M266 L308 | N184-F186 HydrophobicContact CB-CD2 4.02Å; N184-F186 HydrophobicContact CB-CE1 4.27Å; N184-F186 HydrophobicContact CB-CE2 3.41Å; N184-F186 VanDerWaalsContact CB-CE2 3.41Å; N184-F186 HydrophobicContact CB-CZ 3.55Å; F186-I226 HydrophobicContact CZ-CG2 3.9Å; F186-F228 HydrophobicContact CE1-CB 3.8Å; F186-F228 HydrophobicContact CE1-CD1 4.11Å; F186-F228 HydrophobicContact CE1-CG 4.37Å; F186-F228 HydrophobicContact CZ-CB 3.9Å; F186-V241 HydrophobicContact CD1-CG1 4.45Å; F186-M242 CarbonylContact C-O 3.6Å; F186-M242 WeakPolarHBondContact CA-O 3.21Å; F186-D243 HydrophobicContact CD1-CB 4.39Å; F186-D243 HydrophobicContact CE1-CB 4.28Å; F186-W264 HydrophobicContact CB-CB 4.29Å; F186-W264 PolarHBondContact N-O 3.16Å; F186-W264 PolarHBondContact O-N 2.63Å; F186-M266 HydrophobicContact CD2-CB 3.97Å; F186-M266 HydrophobicContact CD2-CE 4.36Å; F186-M266 HydrophobicContact CE1-CE 4.43Å; F186-M266 HydrophobicContact CE2-CB 3.6Å; F186-M266 HydrophobicContact CE2-CE 3.8Å; F186-M266 HydrophobicContact CE2-SD 4.18Å; F186-M266 HydrophobicContact CZ-CE 3.86Å; F186-M266 HydrophobicContact CZ-SD 4.37Å; F186-L308 HydrophobicContact CB-CD2 4.21Å; F186-L308 HydrophobicContact CD2-CD2 3.95Å; F186-L308 HydrophobicContact CG-CD2 4.17Å |
| 187 | C | 94.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 41 Ų | 41 | 10% | 0.101 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.5 | 169.2 | -59.5 | 0 | 0 | 0 | 0 | 108.8 | T189 V241 M242 T247 L263 | C187-T189 HydrophobicContact CB-CG2 4.01Å; C187-V241 WeakPolarHBondContact O-CA 3.33Å; C187-M242 PolarHBondContact N-O 3.44Å; C187-M242 PolarHBondContact O-N 2.84Å; C187-T247 HydrophobicContact CB-CG2 4.41Å; C187-L263 WeakPolarHBondContact SG-CD2 3.4Å |
| 188 | V | 95 | Very high | 94.2 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.4 | 168.2 | -175.3 | 0 | 0 | 0 | 0 | 107.2 | Y120 L240 V241 W264 Y297 L308 | Y120-V188 HydrophobicContact CD2-CG1 4.31Å; V188-L240 WeakPolarHBondContact CA-O 3.29Å; V188-V241 HydrophobicContact CG1-CG2 4.24Å; V188-V241 HydrophobicContact CG2-CG1 4.49Å; V188-V241 HydrophobicContact CG2-CG2 4.11Å; V188-W264 HydrophobicContact CG2-CG 4.44Å; V188-Y297 HydrophobicContact CB-CD2 4.43Å; V188-Y297 HydrophobicContact CB-CE2 3.98Å; V188-Y297 HydrophobicContact CG1-CE1 4.36Å; V188-Y297 HydrophobicContact CG1-CE2 4.13Å; V188-Y297 HydrophobicContact CG2-CD2 3.72Å; V188-Y297 HydrophobicContact CG2-CE2 3.74Å; V188-Y297 HydrophobicContact CG2-CG 4.42Å; V188-L308 HydrophobicContact CG2-CD1 3.94Å |
| 189 | T | 95 | Very high | 94.3 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 163.1 | -171.1 | 60.7 | 0 | 0 | 0 | 0 | 111.8 | C187 S239 L240 M242 F256 | C187-T189 HydrophobicContact CB-CG2 4.01Å; T189-S239 WeakPolarHBondContact O-CA 3.43Å; T189-L240 PolarHBondContact N-O 2.66Å; T189-L240 PolarHBondContact O-N 2.92Å; T189-M242 WeakPolarHBondContact OG1-CE 3.14Å; T189-F256 CarbonylContact C-O 3.59Å; T189-F256 WeakPolarHBondContact CA-O 3.41Å; T189-F256 VanDerWaalsContact CB-O 3.25Å; T189-F256 WeakPolarHBondContact CB-O 3.24Å |
| 190 | S | 95.3 | Very high | 94.4 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 161.7 | 170.9 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | Y120 Q121 I238 F256 | Y120-S190 VanDerWaalsContact CD1-CB 3.44Å; Q121-S190 PolarHBondContact NE2-OG 2.85Å; S190-I238 WeakPolarHBondContact CA-O 3.49Å; S190-I238 WeakPolarHBondContact CB-O 3.13Å; S190-I238 PolarHBondContact OG-O 2.82Å; S190-F256 PolarHBondContact N-O 3.19Å; S190-F256 PolarHBondContact O-N 2.92Å |
| 191 | L | 94.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.2 | 178 | -179.9 | 65.9 | 0 | 0 | 0 | 108.7 | P193 T195 L196 V199 L203 I238 V254 L255 | L191-P193 WeakPolarHBondContact O-CD 3.38Å; L191-T195 WeakPolarHBondContact CD1-OG1 3.42Å; L191-L196 HydrophobicContact CD2-CB 4.19Å; L191-L196 HydrophobicContact CD2-CD1 3.73Å; L191-V199 HydrophobicContact CD1-CG2 4.35Å; L191-V199 HydrophobicContact CD2-CG2 3.71Å; L191-L203 HydrophobicContact CD2-CD1 4.33Å; L191-I238 HydrophobicContact CB-CB 4.12Å; L191-I238 HydrophobicContact CB-CD1 4.32Å; L191-I238 HydrophobicContact CB-CG2 3.85Å; L191-I238 HydrophobicContact CD2-CD1 4.19Å; L191-I238 HydrophobicContact CG-CD1 4.38Å; L191-V254 HydrophobicContact CD1-CB 4.5Å; L191-V254 HydrophobicContact CD1-CG1 3.2Å; L191-V254 VanDerWaalsContact CD1-O 3.31Å; L191-V254 WeakPolarHBondContact CD1-O 3.28Å; L191-L255 HydrophobicContact CD1-CD2 4.45Å |
| 192 | D | 92.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 33% | 0.326 | 24% | 0.237 | S | C | . | . | trans | -69.7 | 123.2 | 170 | -173.1 | -28.3 | 0 | 0 | 0 | 108.4 | D194 T195 L196 F256 | D192-D194 PolarHBondContact O-N 3.29Å; D192-D194 VanDerWaalsContact O-N 3.1Å; D192-D194 WeakPolarHBondContact OD1-CB 3.49Å; D192-D194 PolarHBondContact OD1-N 2.83Å; D192-T195 HydrophobicContact CB-CG2 3.9Å; D192-T195 WeakPolarHBondContact O-CA 3.35Å; D192-T195 PolarHBondContact O-N 3.19Å; D192-T195 PolarHBondContact O-OG1 3.16Å; D192-L196 PolarHBondContact O-N 3.29Å; D192-F256 HydrophobicContact CB-CE2 3.82Å; D192-F256 HydrophobicContact CB-CZ 4.17Å | ||
| 193 | P | 91.8 | Very high | 94.8 | Very high | 58 Ų | 58 | 38 Ų | 38 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -51 | -33 | 176.5 | -27.2 | 35.7 | 0 | 0 | 0 | 114.1 | L191 T195 L196 G236 I238 | L191-P193 WeakPolarHBondContact O-CD 3.38Å; P193-T195 PolarHBondContact O-N 2.72Å; P193-L196 VanDerWaalsContact O-CB 3.27Å; P193-L196 WeakPolarHBondContact O-CB 3.41Å; P193-L196 PolarHBondContact O-N 2.81Å; P193-G236 WeakPolarHBondContact CG-O 3.41Å; P193-I238 HydrophobicContact CB-CD1 4.34Å; P193-I238 HydrophobicContact CG-CD1 4.3Å; P193-I238 HydrophobicContact CG-CG1 4.48Å |
| 194 | D | 91.8 | Very high | 95 | Very high | 144 Ų | 144 | 37.3 Ų | 37.3 | 77% | 0.77 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -70.1 | -23.1 | 178.4 | -72.4 | -18 | 0 | 0 | 0 | 112.4 | D192 P197 | D192-D194 PolarHBondContact O-N 3.29Å; D192-D194 VanDerWaalsContact O-N 3.1Å; D192-D194 WeakPolarHBondContact OD1-CB 3.49Å; D192-D194 PolarHBondContact OD1-N 2.83Å; D194-P197 WeakPolarHBondContact O-CD 3.46Å |
| 195 | T | 93.3 | Very high | 95 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -90 | -13.3 | 176.2 | 67.9 | 0 | 0 | 0 | 0 | 113.3 | L191 D192 P193 P197 S198 | L191-T195 WeakPolarHBondContact CD1-OG1 3.42Å; D192-T195 HydrophobicContact CB-CG2 3.9Å; D192-T195 WeakPolarHBondContact O-CA 3.35Å; D192-T195 PolarHBondContact O-N 3.19Å; D192-T195 PolarHBondContact O-OG1 3.16Å; P193-T195 PolarHBondContact O-N 2.72Å; T195-P197 VanDerWaalsContact C-CD 3.41Å; T195-P197 VanDerWaalsContact C-N 3.33Å; T195-S198 WeakPolarHBondContact O-CB 3.47Å; T195-S198 PolarHBondContact O-N 2.93Å; T195-S198 PolarHBondContact O-OG 3.3Å |
| 196 | L | 94.5 | Very high | 95 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -50.6 | -43 | 179.8 | 179 | 66.1 | 0 | 0 | 0 | 113.7 | A31 F32 L191 D192 P193 S198 V199 A200 L203 F231 I238 | A31-L196 WeakPolarHBondContact O-CD2 3.35Å; F32-L196 HydrophobicContact CD1-CD1 4.07Å; F32-L196 HydrophobicContact CD1-CD2 4.16Å; F32-L196 HydrophobicContact CD1-CG 4.09Å; F32-L196 HydrophobicContact CE1-CD1 3.99Å; L191-L196 HydrophobicContact CD2-CB 4.19Å; L191-L196 HydrophobicContact CD2-CD1 3.73Å; D192-L196 PolarHBondContact O-N 3.29Å; P193-L196 VanDerWaalsContact O-CB 3.27Å; P193-L196 WeakPolarHBondContact O-CB 3.41Å; P193-L196 PolarHBondContact O-N 2.81Å; L196-S198 PolarHBondContact O-N 2.93Å; L196-V199 CarbonylContact O-C 3.53Å; L196-V199 WeakPolarHBondContact O-CG2 3.24Å; L196-V199 PolarHBondContact O-N 3.19Å; L196-V199 VanDerWaalsContact O-N 3.15Å; L196-A200 PolarHBondContact O-N 3.25Å; L196-L203 HydrophobicContact CD1-CD1 3.38Å; L196-F231 HydrophobicContact CD1-CE2 4.32Å; L196-I238 HydrophobicContact CB-CD1 4.1Å; L196-I238 HydrophobicContact CD1-CD1 4.2Å; L196-I238 HydrophobicContact CD2-CD1 3.98Å; L196-I238 HydrophobicContact CG-CD1 4.32Å |
| 197 | P | 95.2 | Very high | 94.9 | Very high | 101 Ų | 101 | 38.6 Ų | 38.6 | 66% | 0.656 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.4 | -31.3 | 177.5 | -25.4 | 36.2 | 0 | 0 | 0 | 113.8 | D194 T195 V199 | D194-P197 WeakPolarHBondContact O-CD 3.46Å; T195-P197 VanDerWaalsContact C-CD 3.41Å; T195-P197 VanDerWaalsContact C-N 3.33Å; P197-V199 VanDerWaalsContact C-N 3.28Å; P197-V199 PolarHBondContact O-N 2.84Å |
| 198 | S | 95.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -71.4 | -22.9 | -178.9 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | T195 L196 | T195-S198 WeakPolarHBondContact O-CB 3.47Å; T195-S198 PolarHBondContact O-N 2.93Å; T195-S198 PolarHBondContact O-OG 3.3Å; L196-S198 PolarHBondContact O-N 2.93Å |
| 199 | V | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -115 | 6.4 | 179.9 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | L191 L196 P197 T201 L202 L203 F250 P251 V254 | L191-V199 HydrophobicContact CD1-CG2 4.35Å; L191-V199 HydrophobicContact CD2-CG2 3.71Å; L196-V199 CarbonylContact O-C 3.53Å; L196-V199 WeakPolarHBondContact O-CG2 3.24Å; L196-V199 PolarHBondContact O-N 3.19Å; L196-V199 VanDerWaalsContact O-N 3.15Å; P197-V199 VanDerWaalsContact C-N 3.28Å; P197-V199 PolarHBondContact O-N 2.84Å; V199-T201 VanDerWaalsContact C-N 3.34Å; V199-T201 PolarHBondContact O-N 3Å; V199-L202 WeakPolarHBondContact O-CB 3.38Å; V199-L202 PolarHBondContact O-N 3.05Å; V199-L202 VanDerWaalsContact O-N 3.17Å; V199-L203 HydrophobicContact CG2-CD1 3.96Å; V199-L203 PolarHBondContact O-N 3.41Å; V199-F250 HydrophobicContact CB-CD1 4.27Å; V199-F250 HydrophobicContact CB-CE1 4.15Å; V199-F250 HydrophobicContact CG1-CD1 4.08Å; V199-F250 HydrophobicContact CG1-CE1 4.46Å; V199-F250 HydrophobicContact CG2-CE1 4.27Å; V199-P251 HydrophobicContact CG1-CG 4.13Å; V199-V254 HydrophobicContact CG1-CG1 3.86Å |
| 200 | A | 96.6 | Very high | 93.7 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 12% | 0.124 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F32 L196 L203 M204 | F32-A200 HydrophobicContact CD1-CB 3.98Å; F32-A200 HydrophobicContact CE1-CB 4.1Å; L196-A200 PolarHBondContact O-N 3.25Å; A200-L203 PolarHBondContact O-N 2.87Å; A200-M204 WeakPolarHBondContact O-CB 3.42Å; A200-M204 WeakPolarHBondContact O-CG 3.42Å; A200-M204 PolarHBondContact O-N 3.13Å |
| 201 | T | 96.7 | Very high | 92.3 | Very high | 115 Ų | 115 | 50.3 Ų | 50.3 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | V199 M204 D205 | V199-T201 VanDerWaalsContact C-N 3.34Å; V199-T201 PolarHBondContact O-N 3Å; T201-M204 PolarHBondContact O-N 2.9Å; T201-D205 WeakPolarHBondContact O-CB 3.35Å; T201-D205 PolarHBondContact O-N 3.35Å |
| 202 | L | 96.6 | Very high | 90.2 | Very high | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 174 | 174 | 63.1 | 0 | 0 | 0 | 110.7 | V199 M204 D205 V206 R249 F250 | V199-L202 WeakPolarHBondContact O-CB 3.38Å; V199-L202 PolarHBondContact O-N 3.05Å; V199-L202 VanDerWaalsContact O-N 3.17Å; L202-M204 VanDerWaalsContact C-N 3.35Å; L202-M204 PolarHBondContact O-N 2.69Å; L202-D205 WeakPolarHBondContact O-CB 3.41Å; L202-D205 PolarHBondContact O-N 3.43Å; L202-V206 HydrophobicContact CD1-CG2 4.22Å; L202-V206 VanDerWaalsContact O-CG2 3.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.47Å; L202-V206 PolarHBondContact O-N 2.72Å; L202-R249 HydrophobicContact CD1-CB 3.89Å; L202-R249 HydrophobicContact CD2-CB 4.23Å; L202-R249 WeakPolarHBondContact CD2-O 3.08Å; L202-F250 HydrophobicContact CD2-CB 4.3Å; L202-F250 HydrophobicContact CD2-CD1 3.86Å; L202-F250 HydrophobicContact CD2-CD2 3.7Å; L202-F250 HydrophobicContact CD2-CE1 4.03Å; L202-F250 HydrophobicContact CD2-CE2 3.86Å; L202-F250 HydrophobicContact CD2-CG 3.69Å; L202-F250 HydrophobicContact CD2-CZ 4.03Å; L202-F250 HydrophobicContact CG-CE2 4.4Å; L202-F250 HydrophobicContact CG-CZ 4.42Å |
| 203 | L | 96.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.6 | -79.3 | 169.9 | 0 | 0 | 0 | 111.9 | F32 L191 L196 V199 A200 D205 V206 M207 F229 F231 L240 F250 | F32-L203 HydrophobicContact CE1-CB 3.91Å; F32-L203 HydrophobicContact CE1-CD1 4.05Å; F32-L203 HydrophobicContact CZ-CB 3.82Å; L191-L203 HydrophobicContact CD2-CD1 4.33Å; L196-L203 HydrophobicContact CD1-CD1 3.38Å; V199-L203 HydrophobicContact CG2-CD1 3.96Å; V199-L203 PolarHBondContact O-N 3.41Å; A200-L203 PolarHBondContact O-N 2.87Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.43Å; L203-V206 PolarHBondContact O-N 3.04Å; L203-M207 HydrophobicContact CB-SD 4.4Å; L203-M207 VanDerWaalsContact O-CB 3.24Å; L203-M207 WeakPolarHBondContact O-CB 3.3Å; L203-M207 WeakPolarHBondContact O-CG 3.35Å; L203-M207 PolarHBondContact O-N 2.86Å; L203-F229 HydrophobicContact CD2-CZ 3.86Å; L203-F231 HydrophobicContact CD1-CE2 4.25Å; L203-F231 HydrophobicContact CD2-CD2 4.4Å; L203-L240 HydrophobicContact CD2-CD2 4.17Å; L203-F250 HydrophobicContact CD2-CE1 4.17Å; L203-F250 HydrophobicContact CD2-CZ 3.7Å; L203-F250 HydrophobicContact CG-CE1 4.19Å; L203-F250 HydrophobicContact CG-CZ 4.1Å |
| 204 | M | 96.2 | Very high | 85.7 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 173.6 | -73 | 174 | -170.3 | 0 | 0 | 111.5 | I28 F32 A200 T201 L202 M207 F208 Y209 | I28-M204 HydrophobicContact CD1-CE 4.34Å; I28-M204 HydrophobicContact CD1-SD 4.39Å; I28-M204 HydrophobicContact CG1-CE 4.35Å; I28-M204 HydrophobicContact CG2-CE 4.15Å; F32-M204 HydrophobicContact CD2-CE 3.52Å; F32-M204 HydrophobicContact CD2-CG 4.38Å; F32-M204 HydrophobicContact CE2-CE 3.76Å; F32-M204 HydrophobicContact CE2-CG 3.64Å; F32-M204 HydrophobicContact CG-CE 3.97Å; F32-M204 HydrophobicContact CZ-CE 4.38Å; F32-M204 HydrophobicContact CZ-CG 3.9Å; A200-M204 WeakPolarHBondContact O-CB 3.42Å; A200-M204 WeakPolarHBondContact O-CG 3.42Å; A200-M204 PolarHBondContact O-N 3.13Å; T201-M204 PolarHBondContact O-N 2.9Å; L202-M204 VanDerWaalsContact C-N 3.35Å; L202-M204 PolarHBondContact O-N 2.69Å; M204-M207 PolarHBondContact O-N 2.73Å; M204-F208 HydrophobicContact CB-CD2 4.21Å; M204-F208 HydrophobicContact CG-CD2 4.45Å; M204-F208 HydrophobicContact CG-CE2 4.33Å; M204-F208 WeakPolarHBondContact O-CB 3.44Å; M204-F208 WeakPolarHBondContact O-CD2 3.38Å; M204-F208 PolarHBondContact O-N 3.48Å; M204-Y209 WeakPolarHBondContact O-CD2 3.24Å |
| 205 | D | 95.6 | Very high | 83.1 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -61 | -44.5 | 175.5 | -175.4 | 72.6 | 0 | 0 | 0 | 111.9 | T201 L202 L203 Y209 S210 R249 | T201-D205 WeakPolarHBondContact O-CB 3.35Å; T201-D205 PolarHBondContact O-N 3.35Å; L202-D205 WeakPolarHBondContact O-CB 3.41Å; L202-D205 PolarHBondContact O-N 3.43Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.43Å; D205-Y209 CarbonylContact O-C 3.53Å; D205-Y209 WeakPolarHBondContact O-CA 3.48Å; D205-Y209 PolarHBondContact O-N 2.97Å; D205-S210 PolarHBondContact O-N 3.37Å; D205-S210 PolarHBondContact O-OG 2.81Å; D205-S210 PolarHBondContact OD2-OG 2.8Å; D205-R249 IonicContact OD2-CZ 3.11Å; D205-R249 IonicContact OD2-NH1 3.96Å; D205-R249 IonicContact OD2-NH2 2.8Å; D205-R249 PolarHBondContact OD2-NH2 2.77Å |
| 206 | V | 94.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -63.8 | -49.4 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L202 L203 F208 S210 R227 F229 T246 | L202-V206 HydrophobicContact CD1-CG2 4.22Å; L202-V206 VanDerWaalsContact O-CG2 3.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.47Å; L202-V206 PolarHBondContact O-N 2.72Å; L203-V206 PolarHBondContact O-N 3.04Å; V206-F208 PolarHBondContact O-N 3.36Å; V206-S210 WeakPolarHBondContact CA-OG 3.38Å; V206-R227 PolarHBondContact O-NH2 3.48Å; V206-F229 HydrophobicContact CG1-CD1 4.22Å; V206-F229 HydrophobicContact CG1-CD2 3.41Å; V206-F229 VanDerWaalsContact CG1-CD2 3.41Å; V206-F229 HydrophobicContact CG1-CE1 4.27Å; V206-F229 HydrophobicContact CG1-CE2 3.5Å; V206-F229 VanDerWaalsContact CG1-CE2 3.5Å; V206-F229 HydrophobicContact CG1-CG 3.81Å; V206-F229 HydrophobicContact CG1-CZ 3.94Å; V206-T246 HydrophobicContact CG1-CG2 3.89Å; V206-T246 HydrophobicContact CG2-CG2 3.8Å |
| 207 | M | 94.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 44% | 0.435 | C | S | . | . | I | π-helix | trans | -70.3 | -31.5 | -174.1 | -71.1 | 167.5 | 78.7 | 0 | 0 | 113.7 | A31 F32 L44 Y51 L203 M204 F229 F231 | A31-M207 HydrophobicContact CB-CE 4.15Å; F32-M207 HydrophobicContact CE2-SD 4.27Å; F32-M207 HydrophobicContact CZ-SD 3.86Å; L44-M207 HydrophobicContact CD2-CE 3.36Å; L44-M207 HydrophobicContact CD2-CG 4.47Å; Y51-M207 VanDerWaalsContact CE1-O 3.23Å; Y51-M207 WeakPolarHBondContact CE1-O 3.13Å; Y51-M207 PolarHBondContact OH-O 2.77Å; L203-M207 HydrophobicContact CB-SD 4.4Å; L203-M207 VanDerWaalsContact O-CB 3.24Å; L203-M207 WeakPolarHBondContact O-CB 3.3Å; L203-M207 WeakPolarHBondContact O-CG 3.35Å; L203-M207 PolarHBondContact O-N 2.86Å; M204-M207 PolarHBondContact O-N 2.73Å; M207-F229 HydrophobicContact CG-CD1 4.19Å; M207-F229 HydrophobicContact CG-CE1 3.5Å; M207-F229 VanDerWaalsContact CG-CE1 3.5Å; M207-F229 HydrophobicContact CG-CZ 4.24Å; M207-F229 HydrophobicContact SD-CE1 4.48Å; M207-F231 HydrophobicContact CE-CG 4.47Å |
| 208 | F | 93.1 | Very high | 75.4 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 9% | 0.092 | 43% | 0.432 | C | S | . | . | I | π-helix | trans | -128.3 | -20 | -165.9 | -50.9 | -56.3 | 0 | 0 | 0 | 115.1 | I20 L27 I28 M204 V206 | I20-F208 HydrophobicContact CD1-CD1 4.07Å; I20-F208 HydrophobicContact CD1-CE1 4.19Å; I20-F208 HydrophobicContact CG1-CD1 3.87Å; I20-F208 HydrophobicContact CG1-CE1 4.47Å; L27-F208 HydrophobicContact CB-CE1 4.07Å; L27-F208 HydrophobicContact CB-CZ 3.9Å; L27-F208 HydrophobicContact CD1-CE1 3.77Å; L27-F208 HydrophobicContact CD1-CZ 4.45Å; I28-F208 HydrophobicContact CG1-CE2 4.04Å; M204-F208 HydrophobicContact CB-CD2 4.21Å; M204-F208 HydrophobicContact CG-CD2 4.45Å; M204-F208 HydrophobicContact CG-CE2 4.33Å; M204-F208 WeakPolarHBondContact O-CB 3.44Å; M204-F208 WeakPolarHBondContact O-CD2 3.38Å; M204-F208 PolarHBondContact O-N 3.48Å; V206-F208 PolarHBondContact O-N 3.36Å |
| 209 | Y | 89.3 | Confident | 72.7 | Confident | 153 Ų | 153 | 71 Ų | 71 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | I | π-helix | trans | -123.9 | -18.7 | -169.1 | -60.4 | -79.5 | 0 | 0 | 0 | 114.5 | M204 D205 G211 | M204-Y209 WeakPolarHBondContact O-CD2 3.24Å; D205-Y209 CarbonylContact O-C 3.53Å; D205-Y209 WeakPolarHBondContact O-CA 3.48Å; D205-Y209 PolarHBondContact O-N 2.97Å; Y209-G211 PolarHBondContact O-N 3.25Å |
| 210 | S | 77.4 | Confident | 70.3 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 31% | 0.308 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -0.9 | -178.6 | -68.4 | 0 | 0 | 0 | 0 | 114.5 | D205 V206 R249 | D205-S210 PolarHBondContact O-N 3.37Å; D205-S210 PolarHBondContact O-OG 2.81Å; D205-S210 PolarHBondContact OD2-OG 2.8Å; V206-S210 WeakPolarHBondContact CA-OG 3.38Å; S210-R249 PolarHBondContact OG-NH1 3.5Å |
| 211 | G | 65.9 | Low | 67.9 | Low | 68 Ų | 68 | 84.4 Ų | 84.4 | 70% | 0.701 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 7.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y209 | Y209-G211 PolarHBondContact O-N 3.25Š|
| 212 | G | 50.3 | Low | 65.6 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | trans | -151.2 | 91.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 213 | I | 39.4 | Very low | 63.7 | Low | 156 Ų | 156 | 88.3 Ų | 88.3 | 80% | 0.8 | 53% | 0.528 | S | S | * | . | -146.5 | 104.3 | 118.2 | -54.7 | -175.9 | 0 | 0 | 0 | 106.9 | E215 | I213-E215 HydrophobicContact CG2-CG 4.2Å; I213-E215 PolarHBondContact O-N 2.82Å | |||
| 214 | K | 49.6 | Very low | 63 | Low | 204 Ų | 204 | 90.6 Ų | 90.6 | 89% | 0.887 | 55% | 0.551 | S | S | * | * | trans | -76.2 | 105.6 | 155.8 | -76.9 | -174.3 | 177.8 | -179.8 | 0 | 105.7 | ||||
| 215 | E | 37.1 | Very low | 62.7 | Low | 144 Ų | 144 | 92.3 Ų | 92.3 | 67% | 0.673 | 56% | 0.558 | S | S | * | * | trans | -58.4 | 130.1 | 172.3 | -75.4 | -155.8 | 158.5 | 0 | 0 | 109 | I213 G217 A218 | I213-E215 HydrophobicContact CG2-CG 4.2Å; I213-E215 PolarHBondContact O-N 2.82Å; E215-G217 VanDerWaalsContact C-N 3.29Å; E215-G217 PolarHBondContact O-N 3.37Å; E215-A218 PolarHBondContact O-N 3.49Å | ||
| 216 | P | 33.3 | Very low | 62.6 | Low | 141 Ų | 141 | 90.5 Ų | 90.5 | 92% | 0.916 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 89 | 177.6 | 28.7 | -30.9 | 0 | 0 | 0 | 108.6 | ||
| 217 | G | 46 | Very low | 62.6 | Low | 77 Ų | 77 | 93.3 Ų | 93.3 | 79% | 0.794 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.6 | -11.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | E215 S219 | E215-G217 VanDerWaalsContact C-N 3.29Å; E215-G217 PolarHBondContact O-N 3.37Å; G217-S219 PolarHBondContact O-N 3.16Å; G217-S219 VanDerWaalsContact O-N 3.17Å |
| 218 | A | 42 | Very low | 62.8 | Low | 73 Ų | 73 | 93.3 Ų | 93.3 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | trans | -73 | 107.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E215 S220 | E215-A218 PolarHBondContact O-N 3.49Å; A218-S220 PolarHBondContact O-N 3.38Å | ||
| 219 | S | 39.2 | Very low | 63 | Low | 83 Ų | 83 | 92.4 Ų | 92.4 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | trans | -48.1 | 135.5 | 161.7 | 42.4 | 0 | 0 | 0 | 0 | 108.4 | G217 E221 | G217-S219 PolarHBondContact O-N 3.16Å; G217-S219 VanDerWaalsContact O-N 3.17Å; S219-E221 PolarHBondContact O-N 3Å | ||
| 220 | S | 46.7 | Very low | 63.5 | Low | 130 Ų | 130 | 85.3 Ų | 85.3 | 91% | 0.909 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -71.9 | 48.8 | 178.6 | 66.3 | 0 | 0 | 0 | 0 | 112 | A218 | A218-S220 PolarHBondContact O-N 3.38Š|
| 221 | E | 44.9 | Very low | 64.5 | Low | 169 Ų | 169 | 83.2 Ų | 83.2 | 79% | 0.79 | 51% | 0.513 | S | S | * | . | trans | -107.1 | 9.6 | -177.8 | -72.3 | -167.4 | 154.6 | 0 | 0 | 112.5 | S219 T223 | S219-E221 PolarHBondContact O-N 3Å; E221-T223 PolarHBondContact O-N 3.01Å | ||
| 222 | D | 49.7 | Very low | 66 | Low | 143 Ų | 143 | 80.1 Ų | 80.1 | 77% | 0.765 | 48% | 0.481 | S | S | * | . | trans | -97.8 | 104.2 | -174.8 | -137.6 | 15.3 | 0 | 0 | 0 | 113.7 | ||||
| 223 | T | 57 | Low | 68.3 | Low | 82 Ų | 82 | 78.4 Ų | 78.4 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | trans | 74 | 132.6 | 149 | 77.5 | 0 | 0 | 0 | 0 | 116.9 | E221 H225 | E221-T223 PolarHBondContact O-N 3.01Å; T223-H225 PolarHBondContact O-N 3.01Å | ||
| 224 | G | 81.1 | Confident | 71.1 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -63.5 | 25 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P182 S183 | P182-G224 CarbonylContact C-O 3.55Å; P182-G224 WeakPolarHBondContact CA-O 3.49Å; P182-G224 VanDerWaalsContact CB-O 3.3Å; P182-G224 WeakPolarHBondContact CB-O 3.47Å; S183-G224 PolarHBondContact N-O 2.89Å |
| 225 | H | 90.8 | Very high | 73.2 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 39% | 0.394 | 40% | 0.399 | S | S | . | . | trans | -85.2 | 150.2 | -179.4 | -72.4 | -144.8 | 0 | 0 | 0 | 111.5 | N184 T223 | N184-H225 WeakPolarHBondContact OD1-CA 3.47Å; N184-H225 WeakPolarHBondContact OD1-CB 3.31Å; T223-H225 PolarHBondContact O-N 3.01Å | ||
| 226 | I | 93.9 | Very high | 75.9 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.108 | 39% | 0.389 | C | S | . | . | trans | -114.9 | 147.4 | 173.4 | -165.5 | 171.3 | 0 | 0 | 0 | 109.9 | P48 P182 N184 F186 F228 M266 R268 | P48-I226 HydrophobicContact CG-CD1 3.91Å; P48-I226 HydrophobicContact CG-CG1 3.46Å; P48-I226 VanDerWaalsContact CG-CG1 3.46Å; P182-I226 HydrophobicContact CB-CB 3.9Å; P182-I226 HydrophobicContact CB-CG2 3.72Å; P182-I226 HydrophobicContact CG-CB 4.14Å; P182-I226 HydrophobicContact CG-CG2 3.52Å; N184-I226 PolarHBondContact ND2-O 3.03Å; N184-I226 PolarHBondContact OD1-N 3.45Å; F186-I226 HydrophobicContact CZ-CG2 3.9Å; I226-F228 HydrophobicContact CG2-CB 4.21Å; I226-F228 PolarHBondContact O-N 3.38Å; I226-M266 HydrophobicContact CG2-SD 4.18Å; I226-R268 VanDerWaalsContact CD1-NH1 3.32Å | ||
| 227 | R | 94.5 | Very high | 78.9 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | trans | -77.2 | 111.6 | 164.1 | -178.1 | 62.9 | -177.3 | 170.9 | 4.4 | 109.1 | E46 T47 P48 V206 | E46-R227 VanDerWaalsContact CD-NE 3.34Å; E46-R227 HydrophobicContact CG-CG 4.42Å; E46-R227 IonicContact OE1-NE 2.97Å; E46-R227 PolarHBondContact OE1-NE 2.9Å; E46-R227 IonicContact OE2-CZ 3.51Å; E46-R227 IonicContact OE2-NE 2.69Å; E46-R227 PolarHBondContact OE2-NE 3.38Å; E46-R227 IonicContact OE2-NH2 3.33Å; E46-R227 PolarHBondContact OE2-NH2 3.49Å; T47-R227 CarbonylContact C-O 3.56Å; T47-R227 WeakPolarHBondContact CA-O 3.39Å; P48-R227 VanDerWaalsContact CD-O 3.23Å; P48-R227 WeakPolarHBondContact CD-O 3.23Å; P48-R227 HydrophobicContact CG-CB 4.47Å; V206-R227 PolarHBondContact O-NH2 3.48Å | ||
| 228 | F | 97.4 | Very high | 81.3 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | trans | -145.5 | 122.9 | 174 | -171.9 | -85.1 | 0 | 0 | 0 | 110.4 | T45 E46 T47 F186 I226 V241 M266 I299 T301 H306 | T45-F228 HydrophobicContact CG2-CD2 4.36Å; T45-F228 HydrophobicContact CG2-CE1 4.29Å; T45-F228 HydrophobicContact CG2-CE2 3.68Å; T45-F228 HydrophobicContact CG2-CZ 3.63Å; E46-F228 VanDerWaalsContact O-CA 3.32Å; E46-F228 WeakPolarHBondContact O-CA 3.12Å; T47-F228 HydrophobicContact CG2-CD2 4.39Å; F186-F228 HydrophobicContact CE1-CB 3.8Å; F186-F228 HydrophobicContact CE1-CD1 4.11Å; F186-F228 HydrophobicContact CE1-CG 4.37Å; F186-F228 HydrophobicContact CZ-CB 3.9Å; I226-F228 HydrophobicContact CG2-CB 4.21Å; I226-F228 PolarHBondContact O-N 3.38Å; F228-V241 HydrophobicContact CD1-CG1 4.26Å; F228-V241 HydrophobicContact CE1-CB 4.35Å; F228-V241 HydrophobicContact CE1-CG1 3.91Å; F228-M266 HydrophobicContact CB-CE 4.11Å; F228-M266 HydrophobicContact CD1-CE 3.66Å; F228-M266 HydrophobicContact CD2-CE 3.67Å; F228-M266 HydrophobicContact CD2-SD 4.42Å; F228-M266 HydrophobicContact CE1-CE 3.89Å; F228-M266 HydrophobicContact CE2-CE 3.88Å; F228-M266 HydrophobicContact CG-CE 3.54Å; F228-M266 HydrophobicContact CZ-CE 3.99Å; F228-I299 HydrophobicContact CE1-CD1 4.3Å; F228-I299 HydrophobicContact CZ-CB 4.32Å; F228-I299 HydrophobicContact CZ-CD1 4.17Å; F228-I299 HydrophobicContact CZ-CG2 4.21Å; F228-T301 HydrophobicContact CE2-CG2 4.33Å; F228-H306 HydrophobicContact CE2-CB 4.18Å; F228-H306 AromaticContact CE2-CD2 3.76Å; F228-H306 AromaticContact CE2-CE1 3.98Å; F228-H306 AromaticContact CE2-CG 3.61Å; F228-H306 AromaticContact CE2-ND1 3.76Å; F228-H306 AromaticContact CE2-NE2 3.99Å; F228-H306 HydrophobicContact CZ-CB 4.37Å | ||
| 229 | F | 98.1 | Very high | 84 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 123.1 | 177.1 | 176 | -93.9 | 0 | 0 | 0 | 109.3 | T45 E46 L203 V206 M207 F231 L240 V241 M242 | T45-F229 CarbonylContact C-O 3.56Å; T45-F229 WeakPolarHBondContact CA-O 3.18Å; E46-F229 HydrophobicContact CB-CB 4.23Å; E46-F229 PolarHBondContact N-O 3.11Å; E46-F229 PolarHBondContact O-N 3.05Å; E46-F229 VanDerWaalsContact O-N 3.1Å; L203-F229 HydrophobicContact CD2-CZ 3.86Å; V206-F229 HydrophobicContact CG1-CD1 4.22Å; V206-F229 HydrophobicContact CG1-CD2 3.41Å; V206-F229 VanDerWaalsContact CG1-CD2 3.41Å; V206-F229 HydrophobicContact CG1-CE1 4.27Å; V206-F229 HydrophobicContact CG1-CE2 3.5Å; V206-F229 VanDerWaalsContact CG1-CE2 3.5Å; V206-F229 HydrophobicContact CG1-CG 3.81Å; V206-F229 HydrophobicContact CG1-CZ 3.94Å; M207-F229 HydrophobicContact CG-CD1 4.19Å; M207-F229 HydrophobicContact CG-CE1 3.5Å; M207-F229 VanDerWaalsContact CG-CE1 3.5Å; M207-F229 HydrophobicContact CG-CZ 4.24Å; M207-F229 HydrophobicContact SD-CE1 4.48Å; F229-F231 HydrophobicContact CE1-CB 3.76Å; F229-F231 HydrophobicContact CZ-CB 4.2Å; F229-L240 HydrophobicContact CZ-CD2 4.25Å; F229-V241 CarbonylContact C-O 3.57Å; F229-V241 WeakPolarHBondContact CA-O 3.25Å; F229-M242 HydrophobicContact CD2-CB 3.64Å; F229-M242 HydrophobicContact CE2-CB 4Å; F229-M242 HydrophobicContact CE2-SD 4.08Å |
| 230 | S | 98.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.1 | 174.3 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | L44 T45 L240 V241 | L44-S230 CarbonylContact O-C 3.58Å; L44-S230 WeakPolarHBondContact O-CA 3.49Å; T45-S230 PolarHBondContact OG1-OG 3.1Å; S230-L240 CarbonylContact O-C 3.56Å; S230-L240 VanDerWaalsContact O-CA 3.26Å; S230-L240 WeakPolarHBondContact O-CA 3.14Å; S230-V241 PolarHBondContact N-O 3.35Å; S230-V241 PolarHBondContact O-N 3.43Å |
| 231 | F | 98.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.7 | 169.7 | 174.7 | -79.5 | 0 | 0 | 0 | 108 | A31 F42 S43 L44 L196 L203 M207 F229 L233 I238 S239 L240 | A31-F231 HydrophobicContact CB-CE1 4.03Å; A31-F231 HydrophobicContact CB-CZ 4.33Å; F42-F231 HydrophobicContact CD1-CD1 4.14Å; F42-F231 AromaticContact CD1-CE1 4Å; F42-F231 HydrophobicContact CD1-CE1 4Å; F42-F231 AromaticContact CE1-CD1 3.77Å; F42-F231 HydrophobicContact CE1-CD1 3.77Å; F42-F231 AromaticContact CE1-CE1 3.88Å; F42-F231 HydrophobicContact CE1-CE1 3.88Å; S43-F231 CarbonylContact C-O 3.59Å; S43-F231 WeakPolarHBondContact CA-O 3.14Å; L44-F231 PolarHBondContact N-O 2.94Å; L44-F231 PolarHBondContact O-N 2.89Å; L196-F231 HydrophobicContact CD1-CE2 4.32Å; L203-F231 HydrophobicContact CD1-CE2 4.25Å; L203-F231 HydrophobicContact CD2-CD2 4.4Å; M207-F231 HydrophobicContact CE-CG 4.47Å; F229-F231 HydrophobicContact CE1-CB 3.76Å; F229-F231 HydrophobicContact CZ-CB 4.2Å; F231-L233 HydrophobicContact CE1-CB 3.83Å; F231-L233 HydrophobicContact CZ-CB 4.25Å; F231-I238 HydrophobicContact CE2-CG2 4.01Å; F231-I238 HydrophobicContact CZ-CG2 4.39Å; F231-S239 WeakPolarHBondContact CA-O 3.3Å; F231-L240 HydrophobicContact CB-CD2 4.19Å; F231-L240 HydrophobicContact CD2-CD2 3.33Å; F231-L240 HydrophobicContact CE2-CD2 4.04Å; F231-L240 HydrophobicContact CG-CD2 4.13Å |
| 232 | S | 98.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135 | 172 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | F42 S43 I238 S239 | F42-S232 CarbonylContact O-C 3.51Å; F42-S232 VanDerWaalsContact O-CA 3.28Å; F42-S232 WeakPolarHBondContact O-CA 3.36Å; S43-S232 WeakPolarHBondContact CB-OG 3.28Å; S43-S232 PolarHBondContact OG-OG 3.41Å; S232-I238 CarbonylContact O-C 3.54Å; S232-I238 VanDerWaalsContact O-CA 3.25Å; S232-I238 WeakPolarHBondContact O-CA 3.36Å; S232-S239 PolarHBondContact N-O 2.84Å; S232-S239 PolarHBondContact O-N 3.31Å |
| 233 | L | 98.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.12 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 100.5 | 167.3 | 175.6 | 62.2 | 0 | 0 | 0 | 107.4 | F42 F231 Y237 I238 | F42-L233 HydrophobicContact CD1-CB 4.46Å; F42-L233 PolarHBondContact N-O 3.05Å; F42-L233 CarbonylContact O-C 3.4Å; F42-L233 PolarHBondContact O-N 2.99Å; F231-L233 HydrophobicContact CE1-CB 3.83Å; F231-L233 HydrophobicContact CZ-CB 4.25Å; L233-Y237 WeakPolarHBondContact CA-O 3.47Å; L233-I238 HydrophobicContact CD1-CG1 3.75Å |
| 234 | I | 97.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.3 | -174 | -59.9 | 167.4 | 0 | 0 | 0 | 108.7 | K40 F41 L117 T119 F124 G236 Y237 | K40-I234 CarbonylContact O-C 3.58Å; K40-I234 WeakPolarHBondContact O-CA 3.45Å; F41-I234 HydrophobicContact CD1-CD1 4.2Å; F41-I234 HydrophobicContact CD1-CG1 4.12Å; F41-I234 HydrophobicContact CD2-CB 4.47Å; F41-I234 HydrophobicContact CD2-CD1 4.27Å; F41-I234 HydrophobicContact CD2-CG1 4.16Å; F41-I234 HydrophobicContact CD2-CG2 3.51Å; F41-I234 HydrophobicContact CE1-CD1 3.75Å; F41-I234 HydrophobicContact CE1-CG1 4.19Å; F41-I234 HydrophobicContact CE2-CD1 3.85Å; F41-I234 HydrophobicContact CE2-CG1 4.25Å; F41-I234 HydrophobicContact CE2-CG2 3.8Å; F41-I234 HydrophobicContact CG-CD1 4.44Å; F41-I234 HydrophobicContact CG-CG1 4.1Å; F41-I234 HydrophobicContact CG-CG2 4.13Å; F41-I234 HydrophobicContact CZ-CD1 3.57Å; F41-I234 HydrophobicContact CZ-CG1 4.26Å; L117-I234 HydrophobicContact CD2-CD1 3.7Å; T119-I234 HydrophobicContact CG2-CD1 4.19Å; F124-I234 HydrophobicContact CD2-CD1 4.16Å; F124-I234 HydrophobicContact CE2-CD1 3.66Å; F124-I234 HydrophobicContact CE2-CG2 4.3Å; F124-I234 HydrophobicContact CZ-CD1 4.31Å; F124-I234 HydrophobicContact CZ-CG2 3.87Å; I234-G236 PolarHBondContact O-N 3.2Å; I234-G236 VanDerWaalsContact O-N 3.12Å; I234-Y237 PolarHBondContact N-O 3.34Å; I234-Y237 WeakPolarHBondContact O-CB 3.48Å; I234-Y237 PolarHBondContact O-N 3.24Å |
| 235 | E | 94 | Very high | 95.9 | Very high | 87 Ų | 87 | 33.9 Ų | 33.9 | 41% | 0.407 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 38 | -177.6 | -68.9 | -69.8 | 174.1 | 0 | 0 | 112.7 | H8 K40 Y237 | H8-E235 IonicContact CE1-OE1 3.97Å; H8-E235 PolarHBondContact CE1-OE1 2.86Å; H8-E235 IonicContact NE2-OE1 3.99Å; H8-E235 PolarHBondContact NE2-OE1 2.98Å; K40-E235 VanDerWaalsContact CD-OE1 3.27Å; K40-E235 WeakPolarHBondContact CD-OE1 3.32Å; K40-E235 IonicContact NZ-OE1 2.77Å; K40-E235 PolarHBondContact O-N 3.19Å; E235-Y237 VanDerWaalsContact C-N 3.3Å; E235-Y237 WeakPolarHBondContact O-CD2 3.25Å; E235-Y237 PolarHBondContact O-N 3.46Å |
| 236 | G | 94.2 | Very high | 96 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 45% | 0.454 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -4.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P193 I234 | P193-G236 WeakPolarHBondContact CG-O 3.41Å; I234-G236 PolarHBondContact O-N 3.2Å; I234-G236 VanDerWaalsContact O-N 3.12Å |
| 237 | Y | 95.4 | Very high | 96 | Very high | 152 Ų | 152 | 30.6 Ų | 30.6 | 60% | 0.596 | 15% | 0.152 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132 | 176.5 | -63.2 | -83.9 | 0 | 0 | 0 | 111.3 | Q121 L233 I234 E235 | Q121-Y237 HydrophobicContact CG-CD1 4.13Å; Q121-Y237 HydrophobicContact CG-CG 4.19Å; L233-Y237 WeakPolarHBondContact CA-O 3.47Å; I234-Y237 PolarHBondContact N-O 3.34Å; I234-Y237 WeakPolarHBondContact O-CB 3.48Å; I234-Y237 PolarHBondContact O-N 3.24Å; E235-Y237 VanDerWaalsContact C-N 3.3Å; E235-Y237 WeakPolarHBondContact O-CD2 3.25Å; E235-Y237 PolarHBondContact O-N 3.46Å |
| 238 | I | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.8 | 176.4 | -60.6 | 170.8 | 0 | 0 | 0 | 109.8 | Q121 S190 L191 P193 L196 F231 S232 L233 L240 | Q121-I238 PolarHBondContact NE2-O 2.52Å; S190-I238 WeakPolarHBondContact CA-O 3.49Å; S190-I238 WeakPolarHBondContact CB-O 3.13Å; S190-I238 PolarHBondContact OG-O 2.82Å; L191-I238 HydrophobicContact CB-CB 4.12Å; L191-I238 HydrophobicContact CB-CD1 4.32Å; L191-I238 HydrophobicContact CB-CG2 3.85Å; L191-I238 HydrophobicContact CD2-CD1 4.19Å; L191-I238 HydrophobicContact CG-CD1 4.38Å; P193-I238 HydrophobicContact CB-CD1 4.34Å; P193-I238 HydrophobicContact CG-CD1 4.3Å; P193-I238 HydrophobicContact CG-CG1 4.48Å; L196-I238 HydrophobicContact CB-CD1 4.1Å; L196-I238 HydrophobicContact CD1-CD1 4.2Å; L196-I238 HydrophobicContact CD2-CD1 3.98Å; L196-I238 HydrophobicContact CG-CD1 4.32Å; F231-I238 HydrophobicContact CE2-CG2 4.01Å; F231-I238 HydrophobicContact CZ-CG2 4.39Å; S232-I238 CarbonylContact O-C 3.54Å; S232-I238 VanDerWaalsContact O-CA 3.25Å; S232-I238 WeakPolarHBondContact O-CA 3.36Å; L233-I238 HydrophobicContact CD1-CG1 3.75Å; I238-L240 HydrophobicContact CG2-CD2 4.21Å; I238-L240 HydrophobicContact CG2-CG 4.26Å |
| 239 | S | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.7 | 168.4 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | Y120 T189 F231 S232 | Y120-S239 PolarHBondContact N-OG 3.25Å; T189-S239 WeakPolarHBondContact O-CA 3.43Å; F231-S239 WeakPolarHBondContact CA-O 3.3Å; S232-S239 PolarHBondContact N-O 2.84Å; S232-S239 PolarHBondContact O-N 3.31Å |
| 240 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.2 | 178.3 | -54.3 | 173.6 | 0 | 0 | 0 | 109.6 | V188 T189 L203 F229 S230 F231 I238 M242 F250 L255 | V188-L240 WeakPolarHBondContact CA-O 3.29Å; T189-L240 PolarHBondContact N-O 2.66Å; T189-L240 PolarHBondContact O-N 2.92Å; L203-L240 HydrophobicContact CD2-CD2 4.17Å; F229-L240 HydrophobicContact CZ-CD2 4.25Å; S230-L240 CarbonylContact O-C 3.56Å; S230-L240 VanDerWaalsContact O-CA 3.26Å; S230-L240 WeakPolarHBondContact O-CA 3.14Å; F231-L240 HydrophobicContact CB-CD2 4.19Å; F231-L240 HydrophobicContact CD2-CD2 3.33Å; F231-L240 HydrophobicContact CE2-CD2 4.04Å; F231-L240 HydrophobicContact CG-CD2 4.13Å; I238-L240 HydrophobicContact CG2-CD2 4.21Å; I238-L240 HydrophobicContact CG2-CG 4.26Å; L240-M242 HydrophobicContact CB-CE 3.91Å; L240-M242 HydrophobicContact CD1-CE 3.75Å; L240-M242 HydrophobicContact CG-CE 4.48Å; L240-F250 HydrophobicContact CD1-CE1 4.42Å; L240-F250 HydrophobicContact CD1-CZ 4.34Å; L240-L255 HydrophobicContact CD1-CD2 3.72Å |
| 241 | V | 97.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.8 | 164.2 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | F186 C187 V188 F228 F229 S230 I299 L308 | F186-V241 HydrophobicContact CD1-CG1 4.45Å; C187-V241 WeakPolarHBondContact O-CA 3.33Å; V188-V241 HydrophobicContact CG1-CG2 4.24Å; V188-V241 HydrophobicContact CG2-CG1 4.49Å; V188-V241 HydrophobicContact CG2-CG2 4.11Å; F228-V241 HydrophobicContact CD1-CG1 4.26Å; F228-V241 HydrophobicContact CE1-CB 4.35Å; F228-V241 HydrophobicContact CE1-CG1 3.91Å; F229-V241 CarbonylContact C-O 3.57Å; F229-V241 WeakPolarHBondContact CA-O 3.25Å; S230-V241 PolarHBondContact N-O 3.35Å; S230-V241 PolarHBondContact O-N 3.43Å; V241-I299 HydrophobicContact CB-CD1 4.43Å; V241-I299 HydrophobicContact CG2-CD1 3.86Å; V241-L308 HydrophobicContact CG1-CD1 3.58Å; V241-L308 HydrophobicContact CG2-CD1 4.46Å |
| 242 | M | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160.2 | -175.7 | 59.7 | -169 | 151.4 | 0 | 0 | 110.7 | F186 C187 T189 F229 L240 T246 T247 F250 L255 | F186-M242 CarbonylContact C-O 3.6Å; F186-M242 WeakPolarHBondContact CA-O 3.21Å; C187-M242 PolarHBondContact N-O 3.44Å; C187-M242 PolarHBondContact O-N 2.84Å; T189-M242 WeakPolarHBondContact OG1-CE 3.14Å; F229-M242 HydrophobicContact CD2-CB 3.64Å; F229-M242 HydrophobicContact CE2-CB 4Å; F229-M242 HydrophobicContact CE2-SD 4.08Å; L240-M242 HydrophobicContact CB-CE 3.91Å; L240-M242 HydrophobicContact CD1-CE 3.75Å; L240-M242 HydrophobicContact CG-CE 4.48Å; M242-T246 HydrophobicContact CB-CG2 4.14Å; M242-T246 HydrophobicContact CG-CG2 4.39Å; M242-T246 HydrophobicContact SD-CG2 3.92Å; M242-T247 WeakPolarHBondContact CG-OG1 3.12Å; M242-F250 HydrophobicContact CE-CD2 4.19Å; M242-F250 HydrophobicContact CE-CE2 3.81Å; M242-F250 HydrophobicContact CE-CZ 4.17Å; M242-F250 HydrophobicContact SD-CD2 4.22Å; M242-F250 HydrophobicContact SD-CE2 3.5Å; M242-F250 WeakPolarHBondContact SD-CE2 3.45Å; M242-F250 HydrophobicContact SD-CZ 4.09Å; M242-L255 HydrophobicContact CE-CD1 3.55Å; M242-L255 HydrophobicContact CE-CD2 4.03Å; M242-L255 HydrophobicContact CE-CG 4.46Å |
| 243 | D | 94.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 158.3 | 176.9 | 68.3 | 90.6 | 0 | 0 | 0 | 111.7 | M185 F186 Q245 T246 T247 | M185-D243 CarbonylContact O-C 3.53Å; M185-D243 VanDerWaalsContact O-CA 3.24Å; M185-D243 WeakPolarHBondContact O-CA 3.4Å; F186-D243 HydrophobicContact CD1-CB 4.39Å; F186-D243 HydrophobicContact CE1-CB 4.28Å; D243-Q245 VanDerWaalsContact C-N 3.26Å; D243-Q245 PolarHBondContact O-N 2.88Å; D243-Q245 WeakPolarHBondContact OD1-CA 3.32Å; D243-Q245 VanDerWaalsContact OD1-CB 3.24Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.24Å; D243-Q245 PolarHBondContact OD1-N 2.7Å; D243-T246 PolarHBondContact O-N 3.09Å; D243-T246 PolarHBondContact OD1-N 3.39Å; D243-T246 PolarHBondContact OD1-OG1 3.49Å; D243-T246 WeakPolarHBondContact OD2-CB 3.38Å; D243-T246 PolarHBondContact OD2-OG1 2.89Å; D243-T247 PolarHBondContact O-N 3.48Å; D243-T247 PolarHBondContact O-OG1 3.29Å |
| 244 | E | 92.9 | Very high | 93.9 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.7 | -37.8 | -178.5 | -173.7 | -176.4 | -160.9 | 0 | 0 | 112.2 | M185 T247 Q248 L263 | M185-E244 HydrophobicContact CB-CB 4.18Å; M185-E244 PolarHBondContact O-N 2.84Å; E244-T247 WeakPolarHBondContact O-CB 3.38Å; E244-T247 PolarHBondContact O-N 2.78Å; E244-Q248 WeakPolarHBondContact O-CG 3.26Å; E244-Q248 PolarHBondContact O-N 2.89Å; E244-L263 HydrophobicContact CB-CD2 4.48Å; E244-L263 HydrophobicContact CG-CD2 4.36Å |
| 245 | Q | 91.4 | Very high | 93.6 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | -180 | -53.3 | 176 | -6.3 | 0 | 0 | 110.5 | D243 T247 Q248 | D243-Q245 VanDerWaalsContact C-N 3.26Å; D243-Q245 PolarHBondContact O-N 2.88Å; D243-Q245 WeakPolarHBondContact OD1-CA 3.32Å; D243-Q245 VanDerWaalsContact OD1-CB 3.24Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.24Å; D243-Q245 PolarHBondContact OD1-N 2.7Å; Q245-T247 VanDerWaalsContact C-N 3.35Å; Q245-Q248 PolarHBondContact O-N 2.86Å |
| 246 | T | 93.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 173.4 | -63 | 0 | 0 | 0 | 0 | 111.4 | V206 M242 D243 Q248 R249 | V206-T246 HydrophobicContact CG1-CG2 3.89Å; V206-T246 HydrophobicContact CG2-CG2 3.8Å; M242-T246 HydrophobicContact CB-CG2 4.14Å; M242-T246 HydrophobicContact CG-CG2 4.39Å; M242-T246 HydrophobicContact SD-CG2 3.92Å; D243-T246 PolarHBondContact O-N 3.09Å; D243-T246 PolarHBondContact OD1-N 3.39Å; D243-T246 PolarHBondContact OD1-OG1 3.49Å; D243-T246 WeakPolarHBondContact OD2-CB 3.38Å; D243-T246 PolarHBondContact OD2-OG1 2.89Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 2.82Å; T246-R249 WeakPolarHBondContact O-CB 3.32Å; T246-R249 PolarHBondContact O-N 3.38Å; T246-R249 VanDerWaalsContact O-N 3.12Å |
| 247 | T | 92.7 | Very high | 92.8 | Very high | 28 Ų | 28 | 60.2 Ų | 60.2 | 17% | 0.172 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | C187 M242 D243 E244 Q245 R249 F250 L255 | C187-T247 HydrophobicContact CB-CG2 4.41Å; M242-T247 WeakPolarHBondContact CG-OG1 3.12Å; D243-T247 PolarHBondContact O-N 3.48Å; D243-T247 PolarHBondContact O-OG1 3.29Å; E244-T247 WeakPolarHBondContact O-CB 3.38Å; E244-T247 PolarHBondContact O-N 2.78Å; Q245-T247 VanDerWaalsContact C-N 3.35Å; T247-R249 PolarHBondContact O-N 2.83Å; T247-R249 VanDerWaalsContact O-N 3.13Å; T247-F250 PolarHBondContact O-N 2.86Å; T247-F250 VanDerWaalsContact O-N 3.12Å; T247-L255 HydrophobicContact CG2-CD1 3.72Å |
| 248 | Q | 92.6 | Very high | 91.5 | Very high | 143 Ų | 143 | 54.8 Ų | 54.8 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13.4 | 179.4 | -70.9 | 173.4 | 11.9 | 0 | 0 | 114.3 | E244 Q245 T246 F250 | E244-Q248 WeakPolarHBondContact O-CG 3.26Å; E244-Q248 PolarHBondContact O-N 2.89Å; Q245-Q248 PolarHBondContact O-N 2.86Å; T246-Q248 VanDerWaalsContact C-N 3.31Å; T246-Q248 PolarHBondContact O-N 2.82Å; Q248-F250 VanDerWaalsContact C-N 3.31Å |
| 249 | R | 94.6 | Very high | 89.9 | Confident | 108 Ų | 108 | 56.9 Ų | 56.9 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -18.1 | 175.6 | -58.7 | 169.5 | 60.2 | -175.6 | -2.8 | 112.6 | L202 D205 S210 T246 T247 | L202-R249 HydrophobicContact CD1-CB 3.89Å; L202-R249 HydrophobicContact CD2-CB 4.23Å; L202-R249 WeakPolarHBondContact CD2-O 3.08Å; D205-R249 IonicContact OD2-CZ 3.11Å; D205-R249 IonicContact OD2-NH1 3.96Å; D205-R249 IonicContact OD2-NH2 2.8Å; D205-R249 PolarHBondContact OD2-NH2 2.77Å; S210-R249 PolarHBondContact OG-NH1 3.5Å; T246-R249 WeakPolarHBondContact O-CB 3.32Å; T246-R249 PolarHBondContact O-N 3.38Å; T246-R249 VanDerWaalsContact O-N 3.12Å; T247-R249 PolarHBondContact O-N 2.83Å; T247-R249 VanDerWaalsContact O-N 3.13Å |
| 250 | F | 94.7 | Very high | 88.1 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 5% | 0.053 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -75 | 147.1 | -179.7 | -77.4 | -103.5 | 0 | 0 | 0 | 111.3 | V199 L202 L203 L240 M242 T247 Q248 L255 | V199-F250 HydrophobicContact CB-CD1 4.27Å; V199-F250 HydrophobicContact CB-CE1 4.15Å; V199-F250 HydrophobicContact CG1-CD1 4.08Å; V199-F250 HydrophobicContact CG1-CE1 4.46Å; V199-F250 HydrophobicContact CG2-CE1 4.27Å; L202-F250 HydrophobicContact CD2-CB 4.3Å; L202-F250 HydrophobicContact CD2-CD1 3.86Å; L202-F250 HydrophobicContact CD2-CD2 3.7Å; L202-F250 HydrophobicContact CD2-CE1 4.03Å; L202-F250 HydrophobicContact CD2-CE2 3.86Å; L202-F250 HydrophobicContact CD2-CG 3.69Å; L202-F250 HydrophobicContact CD2-CZ 4.03Å; L202-F250 HydrophobicContact CG-CE2 4.4Å; L202-F250 HydrophobicContact CG-CZ 4.42Å; L203-F250 HydrophobicContact CD2-CE1 4.17Å; L203-F250 HydrophobicContact CD2-CZ 3.7Å; L203-F250 HydrophobicContact CG-CE1 4.19Å; L203-F250 HydrophobicContact CG-CZ 4.1Å; L240-F250 HydrophobicContact CD1-CE1 4.42Å; L240-F250 HydrophobicContact CD1-CZ 4.34Å; M242-F250 HydrophobicContact CE-CD2 4.19Å; M242-F250 HydrophobicContact CE-CE2 3.81Å; M242-F250 HydrophobicContact CE-CZ 4.17Å; M242-F250 HydrophobicContact SD-CD2 4.22Å; M242-F250 HydrophobicContact SD-CE2 3.5Å; M242-F250 WeakPolarHBondContact SD-CE2 3.45Å; M242-F250 HydrophobicContact SD-CZ 4.09Å; T247-F250 PolarHBondContact O-N 2.86Å; T247-F250 VanDerWaalsContact O-N 3.12Å; Q248-F250 VanDerWaalsContact C-N 3.31Å; F250-L255 HydrophobicContact CB-CD1 3.72Å; F250-L255 HydrophobicContact CB-CG 4.04Å; F250-L255 HydrophobicContact CD1-CD1 4.14Å; F250-L255 HydrophobicContact CD1-CD2 3.85Å; F250-L255 HydrophobicContact CD1-CG 4.03Å; F250-L255 HydrophobicContact CD2-CD1 3.94Å; F250-L255 HydrophobicContact CE1-CD2 4.11Å; F250-L255 HydrophobicContact CG-CD1 3.66Å; F250-L255 HydrophobicContact CG-CD2 4.25Å; F250-L255 HydrophobicContact CG-CG 4.02Å |
| 251 | P | 93.4 | Very high | 86.7 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -59 | 146.5 | 170.9 | -19.5 | 31.3 | 0 | 0 | 0 | 111.6 | V199 V254 | V199-P251 HydrophobicContact CG1-CG 4.13Å; P251-V254 HydrophobicContact CB-CG2 3.93Å; P251-V254 HydrophobicContact CG-CG2 4.44Å; P251-V254 PolarHBondContact O-N 3.14Å |
| 252 | N | 87.2 | Confident | 85.9 | Confident | 146 Ų | 146 | 68.5 Ų | 68.5 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 143.3 | 177.6 | -67 | -25.1 | 0 | 0 | 0 | 111.5 | V254 | N252-V254 PolarHBondContact O-N 2.83Š|
| 253 | N | 85.3 | Confident | 85.8 | Confident | 160 Ų | 160 | 69.7 Ų | 69.7 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 14.7 | 175.2 | -48.1 | -45.1 | 0 | 0 | 0 | 115.8 | ||
| 254 | V | 92.3 | Very high | 85.8 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 13% | 0.127 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -91.7 | -33.6 | 174.2 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | L191 V199 P251 N252 | L191-V254 HydrophobicContact CD1-CB 4.5Å; L191-V254 HydrophobicContact CD1-CG1 3.2Å; L191-V254 VanDerWaalsContact CD1-O 3.31Å; L191-V254 WeakPolarHBondContact CD1-O 3.28Å; V199-V254 HydrophobicContact CG1-CG1 3.86Å; P251-V254 HydrophobicContact CB-CG2 3.93Å; P251-V254 HydrophobicContact CG-CG2 4.44Å; P251-V254 PolarHBondContact O-N 3.14Å; N252-V254 PolarHBondContact O-N 2.83Å |
| 255 | L | 91.9 | Very high | 85.9 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.178 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.6 | 178.1 | -62.4 | 177.3 | 0 | 0 | 0 | 111.3 | L191 L240 M242 T247 F250 | L191-L255 HydrophobicContact CD1-CD2 4.45Å; L240-L255 HydrophobicContact CD1-CD2 3.72Å; M242-L255 HydrophobicContact CE-CD1 3.55Å; M242-L255 HydrophobicContact CE-CD2 4.03Å; M242-L255 HydrophobicContact CE-CG 4.46Å; T247-L255 HydrophobicContact CG2-CD1 3.72Å; F250-L255 HydrophobicContact CB-CD1 3.72Å; F250-L255 HydrophobicContact CB-CG 4.04Å; F250-L255 HydrophobicContact CD1-CD1 4.14Å; F250-L255 HydrophobicContact CD1-CD2 3.85Å; F250-L255 HydrophobicContact CD1-CG 4.03Å; F250-L255 HydrophobicContact CD2-CD1 3.94Å; F250-L255 HydrophobicContact CE1-CD2 4.11Å; F250-L255 HydrophobicContact CG-CD1 3.66Å; F250-L255 HydrophobicContact CG-CD2 4.25Å; F250-L255 HydrophobicContact CG-CG 4.02Å |
| 256 | F | 88.1 | Confident | 86.2 | Confident | 97 Ų | 97 | 61.6 Ų | 61.6 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.5 | 169.9 | -53.4 | -65.2 | 0 | 0 | 0 | 110.2 | T189 S190 D192 | T189-F256 CarbonylContact C-O 3.59Å; T189-F256 WeakPolarHBondContact CA-O 3.41Å; T189-F256 VanDerWaalsContact CB-O 3.25Å; T189-F256 WeakPolarHBondContact CB-O 3.24Å; S190-F256 PolarHBondContact N-O 3.19Å; S190-F256 PolarHBondContact O-N 2.92Å; D192-F256 HydrophobicContact CB-CE2 3.82Å; D192-F256 HydrophobicContact CB-CZ 4.17Å |
| 257 | T | 82 | Confident | 86.3 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | trans | -125.9 | 147.8 | 171.6 | 178.3 | 0 | 0 | 0 | 0 | 109.3 | A259 | T257-A259 VanDerWaalsContact C-N 3.3Å; T257-A259 WeakPolarHBondContact CG2-O 3.37Å; T257-A259 PolarHBondContact O-N 2.85Å; T257-A259 PolarHBondContact OG1-O 3.32Å | ||
| 258 | S | 68.3 | Low | 86.5 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -68.3 | -29.9 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | Y120 | Y120-S258 WeakPolarHBondContact CE2-OG 3.49Å; Y120-S258 VanDerWaalsContact CZ-OG 3.23Å; Y120-S258 WeakPolarHBondContact OH-CA 3.22Å; Y120-S258 PolarHBondContact OH-N 3.27Å; Y120-S258 PolarHBondContact OH-OG 2.81Å |
| 259 | A | 64 | Low | 86.7 | Confident | 46 Ų | 46 | 55 Ų | 55 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -146 | 144.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | T257 G261 E262 | T257-A259 VanDerWaalsContact C-N 3.3Å; T257-A259 WeakPolarHBondContact CG2-O 3.37Å; T257-A259 PolarHBondContact O-N 2.85Å; T257-A259 PolarHBondContact OG1-O 3.32Å; A259-G261 PolarHBondContact O-N 3.45Å; A259-E262 HydrophobicContact CB-CB 4.07Å; A259-E262 PolarHBondContact O-N 3.16Å |
| 260 | S | 59.6 | Low | 86.8 | Confident | 122 Ų | 122 | 50.2 Ų | 50.2 | 85% | 0.853 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 120 | 177.8 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 261 | G | 67.9 | Low | 86.7 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 11.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A259 L263 | A259-G261 PolarHBondContact O-N 3.45Å; G261-L263 PolarHBondContact O-N 2.99Å |
| 262 | E | 82.2 | Confident | 86.7 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -70.7 | 114.5 | 173.3 | -169.7 | 178.2 | -151 | 0 | 0 | 109.9 | A259 W264 | A259-E262 HydrophobicContact CB-CB 4.07Å; A259-E262 PolarHBondContact O-N 3.16Å; E262-W264 VanDerWaalsContact CD-CZ2 3.47Å; E262-W264 HydrophobicContact CG-CZ2 4.01Å; E262-W264 WeakPolarHBondContact OE1-CZ2 3.4Å | ||
| 263 | L | 92.1 | Very high | 87.2 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | trans | -117.2 | 146.1 | 179.7 | -62.2 | 174.1 | 0 | 0 | 0 | 110.3 | M185 C187 E244 G261 E311 | M185-L263 HydrophobicContact CB-CB 4.45Å; M185-L263 HydrophobicContact CB-CD1 4.23Å; M185-L263 HydrophobicContact CB-CD2 4.43Å; M185-L263 HydrophobicContact CE-CB 3.35Å; M185-L263 HydrophobicContact CE-CD1 3.57Å; M185-L263 HydrophobicContact CE-CG 4.06Å; M185-L263 HydrophobicContact CG-CD1 4.47Å; C187-L263 WeakPolarHBondContact SG-CD2 3.4Å; E244-L263 HydrophobicContact CB-CD2 4.48Å; E244-L263 HydrophobicContact CG-CD2 4.36Å; G261-L263 PolarHBondContact O-N 2.99Å; L263-E311 PolarHBondContact O-N 2.99Å; L263-E311 VanDerWaalsContact O-N 3.1Å | ||
| 264 | W | 94.9 | Very high | 87.7 | Confident | 9 Ų | 9 | 45.6 Ų | 45.6 | 3% | 0.034 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134 | -172.8 | -59.9 | 79.4 | 0 | 0 | 0 | 110.7 | F186 V188 E262 Y297 L308 V309 P310 | F186-W264 HydrophobicContact CB-CB 4.29Å; F186-W264 PolarHBondContact N-O 3.16Å; F186-W264 PolarHBondContact O-N 2.63Å; V188-W264 HydrophobicContact CG2-CG 4.44Å; E262-W264 VanDerWaalsContact CD-CZ2 3.47Å; E262-W264 HydrophobicContact CG-CZ2 4.01Å; E262-W264 WeakPolarHBondContact OE1-CZ2 3.4Å; W264-Y297 HydrophobicContact CD2-CD2 4.08Å; W264-Y297 HydrophobicContact CD2-CE2 4.12Å; W264-Y297 AromaticContact CE2-CE2 3.64Å; W264-Y297 AromaticContact CE3-CD2 3.95Å; W264-Y297 HydrophobicContact CE3-CD2 3.95Å; W264-Y297 HydrophobicContact CE3-CE2 4.26Å; W264-Y297 AromaticContact CH2-CD2 3.95Å; W264-Y297 HydrophobicContact CH2-CD2 3.95Å; W264-Y297 AromaticContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CZ2-CD2 4.06Å; W264-Y297 AromaticContact CZ2-CE2 3.39Å; W264-Y297 HydrophobicContact CZ2-CE2 3.39Å; W264-Y297 AromaticContact CZ3-CD2 3.87Å; W264-Y297 HydrophobicContact CZ3-CD2 3.87Å; W264-Y297 HydrophobicContact CZ3-CE2 4.02Å; W264-L308 HydrophobicContact CB-CB 4.07Å; W264-L308 HydrophobicContact CE3-CB 4.21Å; W264-V309 CarbonylContact C-O 3.57Å; W264-V309 WeakPolarHBondContact CA-O 3.12Å; W264-P310 HydrophobicContact CE3-CG 4.38Å; W264-P310 HydrophobicContact CH2-CG 4.13Å; W264-P310 HydrophobicContact CZ3-CG 3.81Å |
| 265 | K | 95.9 | Very high | 87.9 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 16% | 0.157 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.9 | 168.4 | -76.8 | -63.3 | -169.4 | -168 | 0 | 110.1 | S183 N184 M185 L308 V309 E311 I314 | S183-K265 PolarHBondContact O-NZ 3.46Å; N184-K265 WeakPolarHBondContact O-CD 3.26Å; N184-K265 PolarHBondContact O-NZ 2.84Å; N184-K265 VanDerWaalsContact O-NZ 3.14Å; M185-K265 HydrophobicContact SD-CD 3.7Å; M185-K265 WeakPolarHBondContact SD-CE 3.43Å; M185-K265 HydrophobicContact SD-CG 4.35Å; M185-K265 PolarHBondContact SD-NZ 3.25Å; K265-L308 WeakPolarHBondContact O-CA 3.39Å; K265-V309 HydrophobicContact CB-CG2 4.22Å; K265-V309 PolarHBondContact N-O 3.34Å; K265-V309 WeakPolarHBondContact O-CG2 3.48Å; K265-V309 PolarHBondContact O-N 2.93Å; K265-E311 HydrophobicContact CG-CB 4.35Å; K265-E311 HydrophobicContact CG-CG 4.22Å; K265-I314 HydrophobicContact CB-CD1 4.06Å; K265-I314 HydrophobicContact CG-CD1 4.4Å |
| 266 | M | 96.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.8 | 174.1 | 178.3 | 173.7 | -72 | 0 | 0 | 111 | S181 P182 F186 I226 F228 R268 H306 A307 L308 | S181-M266 WeakPolarHBondContact CA-O 3.37Å; S181-M266 WeakPolarHBondContact CB-O 3.43Å; S181-M266 PolarHBondContact OG-O 2.88Å; P182-M266 HydrophobicContact CG-CB 3.96Å; P182-M266 HydrophobicContact CG-CG 4.18Å; P182-M266 HydrophobicContact CG-SD 4.1Å; F186-M266 HydrophobicContact CD2-CB 3.97Å; F186-M266 HydrophobicContact CD2-CE 4.36Å; F186-M266 HydrophobicContact CE1-CE 4.43Å; F186-M266 HydrophobicContact CE2-CB 3.6Å; F186-M266 HydrophobicContact CE2-CE 3.8Å; F186-M266 HydrophobicContact CE2-SD 4.18Å; F186-M266 HydrophobicContact CZ-CE 3.86Å; F186-M266 HydrophobicContact CZ-SD 4.37Å; I226-M266 HydrophobicContact CG2-SD 4.18Å; F228-M266 HydrophobicContact CB-CE 4.11Å; F228-M266 HydrophobicContact CD1-CE 3.66Å; F228-M266 HydrophobicContact CD2-CE 3.67Å; F228-M266 HydrophobicContact CD2-SD 4.42Å; F228-M266 HydrophobicContact CE1-CE 3.89Å; F228-M266 HydrophobicContact CE2-CE 3.88Å; F228-M266 HydrophobicContact CG-CE 3.54Å; F228-M266 HydrophobicContact CZ-CE 3.99Å; M266-R268 HydrophobicContact CG-CB 4.47Å; M266-H306 HydrophobicContact CE-CB 4.03Å; M266-H306 HydrophobicContact CG-CB 4.44Å; M266-H306 HydrophobicContact SD-CB 4.29Å; M266-A307 CarbonylContact C-O 3.52Å; M266-A307 WeakPolarHBondContact CA-O 3.31Å; M266-L308 HydrophobicContact CB-CD2 3.89Å; M266-L308 HydrophobicContact CE-CD2 3.82Å; M266-L308 HydrophobicContact CG-CD2 4.39Å |
| 267 | V | 96.5 | Very high | 88.5 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 108.1 | 158.3 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | L179 S180 I269 A307 V309 V317 L321 | L179-V267 HydrophobicContact CB-CG1 4.12Å; L179-V267 HydrophobicContact CD1-CG1 4.32Å; L179-V267 HydrophobicContact CD2-CG1 4.27Å; L179-V267 HydrophobicContact CG-CG1 4.48Å; S180-V267 CarbonylContact O-C 3.56Å; V267-I269 HydrophobicContact CG1-CG1 4.43Å; V267-I269 VanDerWaalsContact O-CD1 3.22Å; V267-I269 WeakPolarHBondContact O-CD1 3.41Å; V267-A307 HydrophobicContact CB-CB 4.44Å; V267-A307 PolarHBondContact N-O 3.01Å; V267-A307 PolarHBondContact O-N 2.84Å; V267-V309 HydrophobicContact CG2-CG2 4.37Å; V267-V317 HydrophobicContact CG2-CG1 4.05Å; V267-L321 HydrophobicContact CG1-CD1 4.19Å |
| 268 | R | 96.9 | Very high | 89.1 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.2 | 174.1 | 175.9 | 177.3 | 176.3 | 175.6 | 0.8 | 109.2 | E49 L179 S180 I226 M266 | E49-R268 VanDerWaalsContact CD-NH2 3.26Å; E49-R268 IonicContact OE1-CZ 3.45Å; E49-R268 IonicContact OE1-NH1 3.23Å; E49-R268 PolarHBondContact OE1-NH1 3.43Å; E49-R268 IonicContact OE1-NH2 3.04Å; E49-R268 PolarHBondContact OE1-NH2 3.49Å; E49-R268 IonicContact OE2-NH2 3.97Å; L179-R268 WeakPolarHBondContact CA-O 3.39Å; S180-R268 PolarHBondContact N-O 3.18Å; S180-R268 PolarHBondContact O-N 3.31Å; I226-R268 VanDerWaalsContact CD1-NH1 3.32Å; M266-R268 HydrophobicContact CG-CB 4.47Å |
| 269 | I | 97.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.1 | -172.5 | -55.9 | 108 | 0 | 0 | 0 | 109.8 | H177 L179 V267 I281 I285 Y298 D305 A307 | H177-I269 HydrophobicContact CB-CG2 3.79Å; L179-I269 HydrophobicContact CD2-CB 4.11Å; L179-I269 HydrophobicContact CD2-CG1 3.6Å; L179-I269 HydrophobicContact CD2-CG2 3.99Å; V267-I269 HydrophobicContact CG1-CG1 4.43Å; V267-I269 VanDerWaalsContact O-CD1 3.22Å; V267-I269 WeakPolarHBondContact O-CD1 3.41Å; I269-I281 HydrophobicContact CG2-CG2 4.05Å; I269-I285 HydrophobicContact CD1-CG1 4.26Å; I269-I285 HydrophobicContact CG1-CD1 4.05Å; I269-I285 HydrophobicContact CG1-CG1 4.03Å; I269-Y298 HydrophobicContact CD1-CE2 4.25Å; I269-D305 HydrophobicContact CB-CB 3.98Å; I269-D305 HydrophobicContact CD1-CB 4.02Å; I269-D305 PolarHBondContact N-O 3.24Å; I269-D305 PolarHBondContact O-N 2.9Å; I269-A307 HydrophobicContact CD1-CB 4.19Å |
| 270 | G | 95.7 | Very high | 91.8 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | trans | 108.1 | 133.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P178 F304 | P178-G270 PolarHBondContact O-N 3.47Å; G270-F304 WeakPolarHBondContact O-CD1 3.32Å; G270-F304 WeakPolarHBondContact O-CE1 3.23Å | ||
| 271 | G | 91.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 40.4 Ų | 40.4 | 44% | 0.443 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -99.8 | -12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P178 | P178-G271 VanDerWaalsContact CG-N 3.29Š|
| 272 | Q | 94.8 | Very high | 94.9 | Very high | 150 Ų | 150 | 37.2 Ų | 37.2 | 70% | 0.701 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -141.4 | 163.6 | 174.8 | -66.7 | -61.3 | -55.6 | 0 | 0 | 107.7 | L274 F304 | Q272-L274 PolarHBondContact O-N 2.79Å; Q272-F304 WeakPolarHBondContact O-CE1 3.29Å |
| 273 | P | 96.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 34.5 Ų | 34.5 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | trans | -53.4 | 124.5 | 176.2 | -27.3 | 36.2 | 0 | 0 | 0 | 112.2 | G275 K303 | P273-G275 VanDerWaalsContact C-N 3.34Å; P273-G275 PolarHBondContact O-N 3.26Å; P273-K303 CarbonylContact C-O 3.59Å; P273-K303 VanDerWaalsContact CA-O 3.29Å; P273-K303 WeakPolarHBondContact CA-O 3.21Å; P273-K303 HydrophobicContact CB-CB 4.19Å; P273-K303 HydrophobicContact CB-CG 4.22Å; P273-K303 HydrophobicContact CG-CB 4.4Å; P273-K303 HydrophobicContact CG-CD 4.43Å; P273-K303 HydrophobicContact CG-CG 4.28Å | ||
| 274 | L | 96.8 | Very high | 95.7 | Very high | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | trans | -72.2 | -26.4 | -175.2 | -62 | 172.9 | 0 | 0 | 0 | 113 | H177 Q272 I281 K303 D305 | H177-L274 VanDerWaalsContact CE1-CD2 3.47Å; H177-L274 WeakPolarHBondContact CE1-CD2 3.5Å; H177-L274 WeakPolarHBondContact ND1-CD2 3.31Å; Q272-L274 PolarHBondContact O-N 2.79Å; L274-I281 HydrophobicContact CB-CD1 4.03Å; L274-I281 HydrophobicContact CD1-CD1 4.19Å; L274-I281 HydrophobicContact CD1-CG2 4.29Å; L274-I281 HydrophobicContact CD2-CD1 4.04Å; L274-I281 HydrophobicContact CG-CD1 4.3Å; L274-K303 PolarHBondContact N-O 2.87Å; L274-D305 HydrophobicContact CD1-CB 3.93Å | ||
| 275 | G | 96.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | trans | 69.6 | -161.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P273 | P273-G275 VanDerWaalsContact C-N 3.34Å; P273-G275 PolarHBondContact O-N 3.26Å | ||
| 276 | F | 97.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 32 Ų | 32 | 16% | 0.158 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -125 | 4.1 | -170.3 | -58.7 | -77.2 | 0 | 0 | 0 | 114.3 | V12 A72 W76 S113 F115 R128 F302 | V12-F276 HydrophobicContact CB-CE1 4.48Å; V12-F276 HydrophobicContact CG1-CE1 3.89Å; V12-F276 HydrophobicContact CG1-CZ 4.23Å; A72-F276 HydrophobicContact CB-CD1 4.35Å; A72-F276 HydrophobicContact CB-CD2 4.02Å; A72-F276 HydrophobicContact CB-CE1 4.12Å; A72-F276 HydrophobicContact CB-CE2 3.78Å; A72-F276 HydrophobicContact CB-CG 4.31Å; A72-F276 HydrophobicContact CB-CZ 3.84Å; W76-F276 HydrophobicContact CH2-CB 4.29Å; W76-F276 HydrophobicContact CH2-CD1 4.25Å; W76-F276 HydrophobicContact CZ2-CB 3.98Å; W76-F276 AromaticContact CZ2-CD1 3.71Å; W76-F276 HydrophobicContact CZ2-CD1 3.71Å; W76-F276 HydrophobicContact CZ2-CG 4.15Å; S113-F276 WeakPolarHBondContact CB-O 3.41Å; S113-F276 PolarHBondContact OG-O 3.44Å; F115-F276 HydrophobicContact CD2-CD1 4.14Å; F115-F276 HydrophobicContact CD2-CE1 4.04Å; F115-F276 HydrophobicContact CE2-CD1 4.26Å; F115-F276 AromaticContact CE2-CE1 3.73Å; F115-F276 HydrophobicContact CE2-CE1 3.73Å; R128-F276 PolarHBondContact NH1-O 2.78Å; F276-F302 HydrophobicContact CE2-CD1 4.46Å; F276-F302 HydrophobicContact CE2-CD2 4.29Å; F276-F302 HydrophobicContact CE2-CE1 4.07Å; F276-F302 AromaticContact CE2-CE2 3.88Å; F276-F302 HydrophobicContact CE2-CE2 3.88Å; F276-F302 AromaticContact CE2-CZ 3.76Å; F276-F302 HydrophobicContact CE2-CZ 3.76Å; F276-F302 HydrophobicContact CZ-CD1 4.22Å; F276-F302 AromaticContact CZ-CD2 3.58Å; F276-F302 HydrophobicContact CZ-CD2 3.58Å; F276-F302 HydrophobicContact CZ-CE1 4.22Å; F276-F302 AromaticContact CZ-CE2 3.57Å; F276-F302 HydrophobicContact CZ-CE2 3.57Å; F276-F302 AromaticContact CZ-CG 3.9Å; F276-F302 HydrophobicContact CZ-CG 3.9Å; F276-F302 AromaticContact CZ-CZ 3.9Å; F276-F302 HydrophobicContact CZ-CZ 3.9Å |
| 277 | D | 95.6 | Very high | 95.6 | Very high | 112 Ų | 112 | 33.8 Ų | 33.8 | 60% | 0.599 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -108.9 | -27.4 | -175.3 | -70.2 | -51.8 | 0 | 0 | 0 | 112.9 | R128 R130 C279 | R128-D277 IonicContact CZ-OD1 3.59Å; R128-D277 IonicContact NH1-OD1 3.73Å; R128-D277 PolarHBondContact NH1-OD1 2.86Å; R130-D277 IonicContact NH2-OD1 3.68Å; D277-C279 PolarHBondContact O-N 3.44Å; D277-C279 PolarHBondContact O-SG 2.83Å; D277-C279 VanDerWaalsContact O-SG 3.38Å |
| 278 | E | 94.6 | Very high | 95.4 | Very high | 70 Ų | 70 | 34 Ų | 34 | 33% | 0.327 | 20% | 0.2 | S | C | . | . | trans | -64.5 | 136.8 | 177.8 | -166.8 | 179.5 | 154.6 | 0 | 0 | 110.3 | S113 H177 I281 | S113-E278 PolarHBondContact OG-O 3.12Å; H177-E278 IonicContact CD2-OE1 2.61Å; H177-E278 IonicContact CE1-OE1 3.03Å; H177-E278 IonicContact CE1-OE2 3.62Å; H177-E278 PolarHBondContact CE1-OE2 3.18Å; H177-E278 VanDerWaalsContact CE1-OE2 3.29Å; H177-E278 IonicContact NE2-OE1 3.88Å; H177-E278 PolarHBondContact NE2-OE1 3.31Å; H177-E278 IonicContact NE2-OE2 2.81Å; H177-E278 PolarHBondContact NE2-OE2 2.97Å; H177-E278 VanDerWaalsContact NE2-OE2 3.16Å; E278-I281 HydrophobicContact CB-CD1 3.91Å; E278-I281 HydrophobicContact CB-CG1 4.47Å; E278-I281 HydrophobicContact CG-CD1 3.99Å; E278-I281 HydrophobicContact CG-CG1 4.07Å | ||
| 279 | C | 94.1 | Very high | 95.3 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 22% | 0.223 | 20% | 0.195 | C | C | . | . | trans | -111.2 | 149.9 | -176.4 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | N111 I112 S113 D277 I281 | N111-C279 PolarHBondContact O-SG 2.61Å; N111-C279 VanDerWaalsContact O-SG 3.35Å; I112-C279 VanDerWaalsContact C-SG 3.58Å; S113-C279 PolarHBondContact N-SG 3.25Å; D277-C279 PolarHBondContact O-N 3.44Å; D277-C279 PolarHBondContact O-SG 2.83Å; D277-C279 VanDerWaalsContact O-SG 3.38Å; C279-I281 VanDerWaalsContact C-N 3.35Å; C279-I281 PolarHBondContact O-N 3.03Å | ||
| 280 | G | 94.3 | Very high | 95 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 81.7 | 2.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V282 A283 Q284 | G280-V282 PolarHBondContact O-N 3.45Å; G280-A283 WeakPolarHBondContact O-CB 3.39Å; G280-A283 PolarHBondContact O-N 3.14Å; G280-A283 VanDerWaalsContact O-N 3.09Å; G280-Q284 VanDerWaalsContact O-CG 3.32Å; G280-Q284 WeakPolarHBondContact O-CG 3.23Å; G280-Q284 PolarHBondContact O-N 3.44Å |
| 281 | I | 96.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.8 | -52.4 | 173.1 | -59.6 | 171.2 | 0 | 0 | 0 | 110.2 | I269 L274 E278 C279 A283 Q284 I285 D305 | I269-I281 HydrophobicContact CG2-CG2 4.05Å; L274-I281 HydrophobicContact CB-CD1 4.03Å; L274-I281 HydrophobicContact CD1-CD1 4.19Å; L274-I281 HydrophobicContact CD1-CG2 4.29Å; L274-I281 HydrophobicContact CD2-CD1 4.04Å; L274-I281 HydrophobicContact CG-CD1 4.3Å; E278-I281 HydrophobicContact CB-CD1 3.91Å; E278-I281 HydrophobicContact CB-CG1 4.47Å; E278-I281 HydrophobicContact CG-CD1 3.99Å; E278-I281 HydrophobicContact CG-CG1 4.07Å; C279-I281 VanDerWaalsContact C-N 3.35Å; C279-I281 PolarHBondContact O-N 3.03Å; I281-A283 VanDerWaalsContact C-N 3.25Å; I281-A283 PolarHBondContact O-N 2.93Å; I281-Q284 WeakPolarHBondContact O-CB 3.37Å; I281-Q284 PolarHBondContact O-N 3.08Å; I281-I285 PolarHBondContact O-N 2.99Å; I281-D305 WeakPolarHBondContact CG2-OD2 3.24Å |
| 282 | V | 96.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 176.4 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | V96 I104 V114 M116 G280 I285 S286 Y298 | V96-V282 HydrophobicContact CG2-CG1 4.25Å; I104-V282 HydrophobicContact CD1-CG1 4.42Å; I104-V282 HydrophobicContact CG1-CG1 4.5Å; I104-V282 HydrophobicContact CG2-CB 3.89Å; I104-V282 HydrophobicContact CG2-CG1 3.79Å; V114-V282 HydrophobicContact CG2-CB 4.25Å; V114-V282 HydrophobicContact CG2-CG2 3.84Å; M116-V282 HydrophobicContact CG-CB 4.38Å; M116-V282 HydrophobicContact CG-CG1 3.7Å; M116-V282 HydrophobicContact CG-CG2 3.8Å; M116-V282 HydrophobicContact SD-CG1 4.38Å; G280-V282 PolarHBondContact O-N 3.45Å; V282-I285 PolarHBondContact O-N 3.37Å; V282-S286 VanDerWaalsContact O-CB 3.26Å; V282-S286 WeakPolarHBondContact O-CB 3.39Å; V282-S286 PolarHBondContact O-N 3.2Å; V282-S286 PolarHBondContact O-OG 3.48Å; V282-Y298 HydrophobicContact CB-CE1 4.5Å; V282-Y298 HydrophobicContact CG1-CD1 4.44Å; V282-Y298 HydrophobicContact CG1-CD2 4.24Å; V282-Y298 HydrophobicContact CG1-CE1 4.29Å; V282-Y298 HydrophobicContact CG1-CE2 4.12Å; V282-Y298 HydrophobicContact CG1-CG 4.37Å; V282-Y298 HydrophobicContact CG2-CE1 3.83Å |
| 283 | A | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I104 A108 G280 I281 I285 S286 E287 | I104-A283 HydrophobicContact CG2-CB 3.99Å; A108-A283 HydrophobicContact CB-CB 3.91Å; G280-A283 WeakPolarHBondContact O-CB 3.39Å; G280-A283 PolarHBondContact O-N 3.14Å; G280-A283 VanDerWaalsContact O-N 3.09Å; I281-A283 VanDerWaalsContact C-N 3.25Å; I281-A283 PolarHBondContact O-N 2.93Å; A283-I285 PolarHBondContact O-N 3.41Å; A283-I285 VanDerWaalsContact O-N 3.09Å; A283-S286 PolarHBondContact O-N 2.99Å; A283-E287 VanDerWaalsContact O-CB 3.31Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 WeakPolarHBondContact O-CG 3.42Å; A283-E287 PolarHBondContact O-N 3.48Å |
| 284 | Q | 94.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 34.6 Ų | 34.6 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.7 | -28.9 | 177.9 | -71.8 | 170.6 | 26.4 | 0 | 0 | 112.7 | R173 P174 I175 G280 I281 P288 | R173-Q284 HydrophobicContact CB-CG 3.94Å; P174-Q284 VanDerWaalsContact O-CD 3.22Å; P174-Q284 WeakPolarHBondContact O-CG 3.07Å; P174-Q284 PolarHBondContact O-OE1 2.76Å; I175-Q284 HydrophobicContact CG1-CB 4.39Å; G280-Q284 VanDerWaalsContact O-CG 3.32Å; G280-Q284 WeakPolarHBondContact O-CG 3.23Å; G280-Q284 PolarHBondContact O-N 3.44Å; I281-Q284 WeakPolarHBondContact O-CB 3.37Å; I281-Q284 PolarHBondContact O-N 3.08Å; Q284-P288 VanDerWaalsContact O-CD 3.29Å; Q284-P288 WeakPolarHBondContact O-CD 3.44Å; Q284-P288 WeakPolarHBondContact O-CG 3.35Å |
| 285 | I | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -95.8 | -49.3 | 178.7 | -52.6 | -56.5 | 0 | 0 | 0 | 111.6 | I175 L179 I269 I281 V282 A283 E287 P288 L289 Y298 A307 L321 | I175-I285 HydrophobicContact CD1-CD1 4.16Å; I175-I285 HydrophobicContact CG2-CD1 4.39Å; L179-I285 HydrophobicContact CD2-CD1 3.88Å; I269-I285 HydrophobicContact CD1-CG1 4.26Å; I269-I285 HydrophobicContact CG1-CD1 4.05Å; I269-I285 HydrophobicContact CG1-CG1 4.03Å; I281-I285 PolarHBondContact O-N 2.99Å; V282-I285 PolarHBondContact O-N 3.37Å; A283-I285 PolarHBondContact O-N 3.41Å; A283-I285 VanDerWaalsContact O-N 3.09Å; I285-E287 PolarHBondContact O-N 3.27Å; I285-P288 WeakPolarHBondContact O-CD 3.44Å; I285-P288 WeakPolarHBondContact O-CG 3.26Å; I285-L289 HydrophobicContact CG2-CD1 3.91Å; I285-L289 VanDerWaalsContact O-CG 3.23Å; I285-L289 WeakPolarHBondContact O-CG 3.16Å; I285-L289 PolarHBondContact O-N 2.87Å; I285-Y298 HydrophobicContact CB-CE2 4.02Å; I285-Y298 HydrophobicContact CG1-CE2 4.35Å; I285-Y298 HydrophobicContact CG2-CE2 4.1Å; I285-A307 HydrophobicContact CG2-CB 4.09Å; I285-L321 HydrophobicContact CD1-CD2 4.33Å; I285-L321 HydrophobicContact CG2-CD2 4.34Å |
| 286 | S | 95.2 | Very high | 94 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.1 | -31.6 | -172 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | V282 A283 A290 | V282-S286 VanDerWaalsContact O-CB 3.26Å; V282-S286 WeakPolarHBondContact O-CB 3.39Å; V282-S286 PolarHBondContact O-N 3.2Å; V282-S286 PolarHBondContact O-OG 3.48Å; A283-S286 PolarHBondContact O-N 2.99Å; S286-A290 WeakPolarHBondContact O-CB 3.12Å; S286-A290 PolarHBondContact O-N 3.2Å |
| 287 | E | 93.8 | Very high | 94 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.1 | -49.4 | 178.5 | -69.7 | -176.2 | 125.3 | 0 | 0 | 114.5 | A105 R173 A283 I285 L289 A290 T291 | A105-E287 HydrophobicContact CB-CG 4.21Å; A105-E287 WeakPolarHBondContact CB-OE1 3.06Å; R173-E287 IonicContact CZ-OE1 3.19Å; R173-E287 IonicContact CZ-OE2 2.69Å; R173-E287 IonicContact NH1-OE1 2.83Å; R173-E287 PolarHBondContact NH1-OE1 2.94Å; R173-E287 IonicContact NH1-OE2 2.67Å; R173-E287 PolarHBondContact NH1-OE2 3.01Å; A283-E287 VanDerWaalsContact O-CB 3.31Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 WeakPolarHBondContact O-CG 3.42Å; A283-E287 PolarHBondContact O-N 3.48Å; I285-E287 PolarHBondContact O-N 3.27Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 2.66Å; E287-A290 PolarHBondContact O-N 3.22Å; E287-T291 WeakPolarHBondContact O-CB 3.4Å; E287-T291 PolarHBondContact O-N 2.96Å; E287-T291 PolarHBondContact O-OG1 2.67Å |
| 288 | P | 93.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.4 | 21.7 | -31.4 | 0 | 0 | 0 | 111.8 | Q284 I285 T291 A292 A320 L321 | Q284-P288 VanDerWaalsContact O-CD 3.29Å; Q284-P288 WeakPolarHBondContact O-CD 3.44Å; Q284-P288 WeakPolarHBondContact O-CG 3.35Å; I285-P288 WeakPolarHBondContact O-CD 3.44Å; I285-P288 WeakPolarHBondContact O-CG 3.26Å; P288-T291 PolarHBondContact O-N 3.26Å; P288-A292 PolarHBondContact O-N 3.5Å; P288-A320 HydrophobicContact CB-CB 4.36Å; P288-L321 HydrophobicContact CB-CD2 4.49Å; P288-L321 HydrophobicContact CG-CD2 3.8Å |
| 289 | L | 94 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.1 | -65 | 179.7 | 0 | 0 | 0 | 112 | T97 I285 E287 T291 A292 D293 I294 A296 V309 V317 L321 | T97-L289 HydrophobicContact CG2-CB 3.68Å; I285-L289 HydrophobicContact CG2-CD1 3.91Å; I285-L289 VanDerWaalsContact O-CG 3.23Å; I285-L289 WeakPolarHBondContact O-CG 3.16Å; I285-L289 PolarHBondContact O-N 2.87Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 2.66Å; L289-T291 VanDerWaalsContact C-N 3.28Å; L289-T291 PolarHBondContact O-N 2.96Å; L289-A292 CarbonylContact O-C 3.52Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-A292 VanDerWaalsContact O-N 3.17Å; L289-D293 PolarHBondContact O-N 3.09Å; L289-I294 HydrophobicContact CB-CB 4.41Å; L289-I294 HydrophobicContact CD2-CB 4.27Å; L289-I294 HydrophobicContact CD2-CD1 4.13Å; L289-I294 HydrophobicContact CD2-CG2 4.33Å; L289-I294 PolarHBondContact O-N 3.34Å; L289-A296 HydrophobicContact CD1-CB 4.08Å; L289-V309 HydrophobicContact CD1-CG1 4.03Å; L289-V317 HydrophobicContact CD2-CB 4.33Å; L289-V317 HydrophobicContact CD2-CG1 4.1Å; L289-V317 HydrophobicContact CD2-CG2 3.95Å; L289-L321 HydrophobicContact CD2-CD2 4.43Å; L289-L321 HydrophobicContact CG-CD2 4.39Å |
| 290 | A | 92.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 17% | 0.165 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -32.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T97 A100 S286 E287 A292 D293 | T97-A290 VanDerWaalsContact O-CB 3.22Å; T97-A290 WeakPolarHBondContact O-CB 3.46Å; A100-A290 HydrophobicContact CB-CB 3.77Å; S286-A290 WeakPolarHBondContact O-CB 3.12Å; S286-A290 PolarHBondContact O-N 3.2Å; E287-A290 PolarHBondContact O-N 3.22Å; A290-A292 VanDerWaalsContact C-N 3.32Å; A290-D293 PolarHBondContact O-N 3.48Å |
| 291 | T | 91.7 | Very high | 94.7 | Very high | 102 Ų | 102 | 23.4 Ų | 23.4 | 63% | 0.626 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -70.6 | -32.4 | 175 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | E287 P288 L289 D293 | E287-T291 WeakPolarHBondContact O-CB 3.4Å; E287-T291 PolarHBondContact O-N 2.96Å; E287-T291 PolarHBondContact O-OG1 2.67Å; P288-T291 PolarHBondContact O-N 3.26Å; L289-T291 VanDerWaalsContact C-N 3.28Å; L289-T291 PolarHBondContact O-N 2.96Å; T291-D293 VanDerWaalsContact C-N 3.31Å |
| 292 | A | 91.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 41% | 0.405 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 3.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P288 L289 A290 I294 A320 | P288-A292 PolarHBondContact O-N 3.5Å; L289-A292 CarbonylContact O-C 3.52Å; L289-A292 PolarHBondContact O-N 3.39Å; L289-A292 VanDerWaalsContact O-N 3.17Å; A290-A292 VanDerWaalsContact C-N 3.32Å; A292-I294 VanDerWaalsContact C-N 3.25Å; A292-I294 HydrophobicContact CB-CD1 3.73Å; A292-I294 HydrophobicContact CB-CG1 3.85Å; A292-I294 PolarHBondContact O-N 3.42Å; A292-A320 HydrophobicContact CB-CB 4.19Å |
| 293 | D | 90.6 | Very high | 94.9 | Very high | 147 Ų | 147 | 27.2 Ų | 27.2 | 79% | 0.786 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 37.9 | -175.6 | -161.1 | 36.4 | 0 | 0 | 0 | 113.7 | L289 A290 T291 | L289-D293 PolarHBondContact O-N 3.09Å; A290-D293 PolarHBondContact O-N 3.48Å; T291-D293 VanDerWaalsContact C-N 3.31Å |
| 294 | I | 92.1 | Very high | 95 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | trans | -97.1 | 122.5 | 178.8 | -58.2 | 174.2 | 0 | 0 | 0 | 108.1 | T97 L289 A292 V309 N313 V317 | T97-I294 WeakPolarHBondContact CB-O 3.44Å; T97-I294 WeakPolarHBondContact CG2-O 3.39Å; T97-I294 PolarHBondContact OG1-O 3.42Å; L289-I294 HydrophobicContact CB-CB 4.41Å; L289-I294 HydrophobicContact CD2-CB 4.27Å; L289-I294 HydrophobicContact CD2-CD1 4.13Å; L289-I294 HydrophobicContact CD2-CG2 4.33Å; L289-I294 PolarHBondContact O-N 3.34Å; A292-I294 VanDerWaalsContact C-N 3.25Å; A292-I294 HydrophobicContact CB-CD1 3.73Å; A292-I294 HydrophobicContact CB-CG1 3.85Å; A292-I294 PolarHBondContact O-N 3.42Å; I294-V309 HydrophobicContact CG2-CG1 4.46Å; I294-N313 HydrophobicContact CG2-CB 4.12Å; I294-V317 HydrophobicContact CD1-CG2 3.82Å; I294-V317 HydrophobicContact CG2-CG2 3.91Å | ||
| 295 | P | 91.8 | Very high | 95.2 | Very high | 57 Ų | 57 | 27.8 Ų | 27.8 | 37% | 0.37 | 16% | 0.159 | S | C | . | . | trans | -70.1 | 149.8 | 172.9 | 30.2 | -33.5 | 0 | 0 | 0 | 110.2 | T97 P310 | T97-P295 WeakPolarHBondContact OG1-CA 3.23Å; P295-P310 HydrophobicContact CG-CG 3.67Å; P295-P310 VanDerWaalsContact O-CD 3.28Å; P295-P310 WeakPolarHBondContact O-CD 3.33Å | ||
| 296 | A | 93.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | trans | -148 | 146.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V96 T97 L289 L308 V309 | V96-A296 HydrophobicContact CG1-CB 3.99Å; V96-A296 WeakPolarHBondContact CG1-O 2.89Å; V96-A296 PolarHBondContact N-O 2.69Å; V96-A296 VanDerWaalsContact N-O 3.08Å; T97-A296 HydrophobicContact CG2-CB 4.04Å; L289-A296 HydrophobicContact CD1-CB 4.08Å; A296-L308 CarbonylContact C-O 3.53Å; A296-L308 WeakPolarHBondContact CA-O 3.22Å; A296-L308 WeakPolarHBondContact CB-O 3.08Å; A296-V309 HydrophobicContact CB-CG1 4.05Å | ||
| 297 | Y | 96 | Very high | 95.5 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 7% | 0.067 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 153.5 | 155.9 | -60 | -77.7 | 0 | 0 | 0 | 108.9 | V188 W264 A307 L308 | V188-Y297 HydrophobicContact CB-CD2 4.43Å; V188-Y297 HydrophobicContact CB-CE2 3.98Å; V188-Y297 HydrophobicContact CG1-CE1 4.36Å; V188-Y297 HydrophobicContact CG1-CE2 4.13Å; V188-Y297 HydrophobicContact CG2-CD2 3.72Å; V188-Y297 HydrophobicContact CG2-CE2 3.74Å; V188-Y297 HydrophobicContact CG2-CG 4.42Å; W264-Y297 HydrophobicContact CD2-CD2 4.08Å; W264-Y297 HydrophobicContact CD2-CE2 4.12Å; W264-Y297 AromaticContact CE2-CE2 3.64Å; W264-Y297 AromaticContact CE3-CD2 3.95Å; W264-Y297 HydrophobicContact CE3-CD2 3.95Å; W264-Y297 HydrophobicContact CE3-CE2 4.26Å; W264-Y297 AromaticContact CH2-CD2 3.95Å; W264-Y297 HydrophobicContact CH2-CD2 3.95Å; W264-Y297 AromaticContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CH2-CE2 3.6Å; W264-Y297 HydrophobicContact CZ2-CD2 4.06Å; W264-Y297 AromaticContact CZ2-CE2 3.39Å; W264-Y297 HydrophobicContact CZ2-CE2 3.39Å; W264-Y297 AromaticContact CZ3-CD2 3.87Å; W264-Y297 HydrophobicContact CZ3-CD2 3.87Å; W264-Y297 HydrophobicContact CZ3-CE2 4.02Å; Y297-A307 CarbonylContact O-C 3.56Å; Y297-A307 VanDerWaalsContact O-CA 3.32Å; Y297-A307 WeakPolarHBondContact O-CA 3.31Å; Y297-L308 PolarHBondContact N-O 2.92Å; Y297-L308 PolarHBondContact O-N 3.1Å |
| 298 | Y | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 120.9 | -179 | -154.7 | -70.7 | 0 | 0 | 0 | 110.9 | M116 S118 I269 V282 I285 D305 H306 A307 | M116-Y298 HydrophobicContact CB-CD1 3.62Å; M116-Y298 HydrophobicContact CB-CE1 4.36Å; M116-Y298 HydrophobicContact CB-CG 4.28Å; M116-Y298 HydrophobicContact CG-CD1 4.01Å; M116-Y298 HydrophobicContact CG-CG 4.49Å; S118-Y298 VanDerWaalsContact CB-N 3.31Å; S118-Y298 WeakPolarHBondContact CB-O 3.15Å; S118-Y298 PolarHBondContact N-O 2.9Å; S118-Y298 PolarHBondContact OG-N 3.1Å; S118-Y298 PolarHBondContact OG-O 2.83Å; I269-Y298 HydrophobicContact CD1-CE2 4.25Å; V282-Y298 HydrophobicContact CB-CE1 4.5Å; V282-Y298 HydrophobicContact CG1-CD1 4.44Å; V282-Y298 HydrophobicContact CG1-CD2 4.24Å; V282-Y298 HydrophobicContact CG1-CE1 4.29Å; V282-Y298 HydrophobicContact CG1-CE2 4.12Å; V282-Y298 HydrophobicContact CG1-CG 4.37Å; V282-Y298 HydrophobicContact CG2-CE1 3.83Å; I285-Y298 HydrophobicContact CB-CE2 4.02Å; I285-Y298 HydrophobicContact CG1-CE2 4.35Å; I285-Y298 HydrophobicContact CG2-CE2 4.1Å; Y298-D305 HydrophobicContact CE1-CB 3.61Å; Y298-D305 VanDerWaalsContact CE1-OD2 3.24Å; Y298-D305 WeakPolarHBondContact CE1-OD2 3.46Å; Y298-D305 VanDerWaalsContact OH-CB 3.24Å; Y298-D305 WeakPolarHBondContact OH-CB 3.48Å; Y298-D305 VanDerWaalsContact OH-CG 3.29Å; Y298-D305 PolarHBondContact OH-OD2 2.86Å; Y298-H306 CarbonylContact C-O 3.59Å; Y298-H306 WeakPolarHBondContact CA-O 3.08Å; Y298-A307 HydrophobicContact CD2-CB 3.96Å; Y298-A307 HydrophobicContact CE2-CB 4.21Å |
| 299 | I | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.1 | 178.6 | -59.7 | 175.4 | 0 | 0 | 0 | 108.6 | T45 L117 F228 V241 T301 H306 | T45-I299 HydrophobicContact CG2-CG2 4.35Å; L117-I299 HydrophobicContact CD1-CG2 4.43Å; F228-I299 HydrophobicContact CE1-CD1 4.3Å; F228-I299 HydrophobicContact CZ-CB 4.32Å; F228-I299 HydrophobicContact CZ-CD1 4.17Å; F228-I299 HydrophobicContact CZ-CG2 4.21Å; V241-I299 HydrophobicContact CB-CD1 4.43Å; V241-I299 HydrophobicContact CG2-CD1 3.86Å; I299-T301 HydrophobicContact CG2-CG2 4.43Å; I299-H306 PolarHBondContact N-O 2.79Å; I299-H306 PolarHBondContact O-N 3.26Å; I299-H306 PolarHBondContact O-ND1 3.03Å |
| 300 | S | 98.7 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 135 | 166.4 | -64.8 | 0 | 0 | 0 | 0 | 109.4 | F115 M116 D305 | F115-S300 VanDerWaalsContact CE1-CB 3.44Å; F115-S300 WeakPolarHBondContact CE1-O 3.28Å; F115-S300 VanDerWaalsContact CZ-CB 3.45Å; F115-S300 WeakPolarHBondContact CZ-O 3.5Å; M116-S300 PolarHBondContact N-OG 3.25Å; M116-S300 VanDerWaalsContact N-OG 3.14Å; M116-S300 PolarHBondContact O-N 3.36Å; S300-D305 VanDerWaalsContact CA-OD1 3.28Å; S300-D305 WeakPolarHBondContact CA-OD1 3.19Å; S300-D305 WeakPolarHBondContact CB-OD1 3.34Å; S300-D305 PolarHBondContact OG-OD1 3.41Å |
| 301 | T | 98.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | trans | -113.5 | 173.2 | 168.4 | 77.3 | 0 | 0 | 0 | 0 | 109.2 | T45 T47 T52 F115 F228 I299 K303 F304 H306 | T45-T301 HydrophobicContact CG2-CG2 3.73Å; T47-T301 HydrophobicContact CG2-CG2 3.69Å; T52-T301 WeakPolarHBondContact OG1-CB 3.39Å; F115-T301 WeakPolarHBondContact CE2-O 3.47Å; F115-T301 WeakPolarHBondContact CZ-O 3.28Å; F228-T301 HydrophobicContact CE2-CG2 4.33Å; I299-T301 HydrophobicContact CG2-CG2 4.43Å; T301-K303 PolarHBondContact O-N 3.41Å; T301-F304 WeakPolarHBondContact CA-O 3.18Å; T301-F304 PolarHBondContact N-O 3.09Å; T301-F304 PolarHBondContact OG1-N 2.89Å; T301-F304 PolarHBondContact OG1-O 3.41Å; T301-H306 VanDerWaalsContact CG2-CE1 3.46Å; T301-H306 WeakPolarHBondContact CG2-CE1 3.19Å; T301-H306 PolarHBondContact OG1-CE1 3.49Å | ||
| 302 | F | 98.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 30.3 Ų | 30.3 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -57.8 | -24.9 | -175.1 | -162.7 | -86.2 | 0 | 0 | 0 | 113 | V12 S14 T52 A72 F276 | V12-F302 HydrophobicContact CG1-CD2 4.2Å; S14-F302 VanDerWaalsContact CB-CD2 3.47Å; T52-F302 HydrophobicContact CG2-CB 4.17Å; T52-F302 WeakPolarHBondContact OG1-CB 3.33Å; T52-F302 PolarHBondContact OG1-N 3.06Å; A72-F302 HydrophobicContact CB-CE2 4.49Å; F276-F302 HydrophobicContact CE2-CD1 4.46Å; F276-F302 HydrophobicContact CE2-CD2 4.29Å; F276-F302 HydrophobicContact CE2-CE1 4.07Å; F276-F302 AromaticContact CE2-CE2 3.88Å; F276-F302 HydrophobicContact CE2-CE2 3.88Å; F276-F302 AromaticContact CE2-CZ 3.76Å; F276-F302 HydrophobicContact CE2-CZ 3.76Å; F276-F302 HydrophobicContact CZ-CD1 4.22Å; F276-F302 AromaticContact CZ-CD2 3.58Å; F276-F302 HydrophobicContact CZ-CD2 3.58Å; F276-F302 HydrophobicContact CZ-CE1 4.22Å; F276-F302 AromaticContact CZ-CE2 3.57Å; F276-F302 HydrophobicContact CZ-CE2 3.57Å; F276-F302 AromaticContact CZ-CG 3.9Å; F276-F302 HydrophobicContact CZ-CG 3.9Å; F276-F302 AromaticContact CZ-CZ 3.9Å; F276-F302 HydrophobicContact CZ-CZ 3.9Å |
| 303 | K | 98.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 30 Ų | 30 | 27% | 0.265 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -116.1 | -33.9 | -177.7 | -63.4 | 177.7 | -175.8 | 167.8 | 0 | 113.6 | E49 D50 P273 L274 T301 | E49-K303 HydrophobicContact CB-CD 3.91Å; E49-K303 HydrophobicContact CG-CD 4.39Å; D50-K303 VanDerWaalsContact OD2-CE 3.28Å; D50-K303 WeakPolarHBondContact OD2-CE 3.32Å; D50-K303 IonicContact OD2-NZ 2.65Å; P273-K303 CarbonylContact C-O 3.59Å; P273-K303 VanDerWaalsContact CA-O 3.29Å; P273-K303 WeakPolarHBondContact CA-O 3.21Å; P273-K303 HydrophobicContact CB-CB 4.19Å; P273-K303 HydrophobicContact CB-CG 4.22Å; P273-K303 HydrophobicContact CG-CB 4.4Å; P273-K303 HydrophobicContact CG-CD 4.43Å; P273-K303 HydrophobicContact CG-CG 4.28Å; L274-K303 PolarHBondContact N-O 2.87Å; T301-K303 PolarHBondContact O-N 3.41Å |
| 304 | F | 98.6 | Very high | 95 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 7% | 0.07 | 12% | 0.122 | C | C | . | . | trans | -140.7 | 158.8 | -168.2 | -59.7 | -76.8 | 0 | 0 | 0 | 111.8 | E49 G270 Q272 T301 H306 | E49-F304 HydrophobicContact CG-CE2 4.1Å; G270-F304 WeakPolarHBondContact O-CD1 3.32Å; G270-F304 WeakPolarHBondContact O-CE1 3.23Å; Q272-F304 WeakPolarHBondContact O-CE1 3.29Å; T301-F304 WeakPolarHBondContact CA-O 3.18Å; T301-F304 PolarHBondContact N-O 3.09Å; T301-F304 PolarHBondContact OG1-N 2.89Å; T301-F304 PolarHBondContact OG1-O 3.41Å; F304-H306 PolarHBondContact O-CE1 3.36Å; F304-H306 PolarHBondContact O-ND1 2.94Å | ||
| 305 | D | 98.5 | Very high | 94.8 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151 | 173.7 | -84.3 | -4.1 | 0 | 0 | 0 | 110.7 | I269 L274 I281 Y298 S300 | I269-D305 HydrophobicContact CB-CB 3.98Å; I269-D305 HydrophobicContact CD1-CB 4.02Å; I269-D305 PolarHBondContact N-O 3.24Å; I269-D305 PolarHBondContact O-N 2.9Å; L274-D305 HydrophobicContact CD1-CB 3.93Å; I281-D305 WeakPolarHBondContact CG2-OD2 3.24Å; Y298-D305 HydrophobicContact CE1-CB 3.61Å; Y298-D305 VanDerWaalsContact CE1-OD2 3.24Å; Y298-D305 WeakPolarHBondContact CE1-OD2 3.46Å; Y298-D305 VanDerWaalsContact OH-CB 3.24Å; Y298-D305 WeakPolarHBondContact OH-CB 3.48Å; Y298-D305 VanDerWaalsContact OH-CG 3.29Å; Y298-D305 PolarHBondContact OH-OD2 2.86Å; S300-D305 VanDerWaalsContact CA-OD1 3.28Å; S300-D305 WeakPolarHBondContact CA-OD1 3.19Å; S300-D305 WeakPolarHBondContact CB-OD1 3.34Å; S300-D305 PolarHBondContact OG-OD1 3.41Å |
| 306 | H | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 113.7 | -177.1 | -48.9 | 78.8 | 0 | 0 | 0 | 109.5 | F228 M266 Y298 I299 T301 F304 | F228-H306 HydrophobicContact CE2-CB 4.18Å; F228-H306 AromaticContact CE2-CD2 3.76Å; F228-H306 AromaticContact CE2-CE1 3.98Å; F228-H306 AromaticContact CE2-CG 3.61Å; F228-H306 AromaticContact CE2-ND1 3.76Å; F228-H306 AromaticContact CE2-NE2 3.99Å; F228-H306 HydrophobicContact CZ-CB 4.37Å; M266-H306 HydrophobicContact CE-CB 4.03Å; M266-H306 HydrophobicContact CG-CB 4.44Å; M266-H306 HydrophobicContact SD-CB 4.29Å; Y298-H306 CarbonylContact C-O 3.59Å; Y298-H306 WeakPolarHBondContact CA-O 3.08Å; I299-H306 PolarHBondContact N-O 2.79Å; I299-H306 PolarHBondContact O-N 3.26Å; I299-H306 PolarHBondContact O-ND1 3.03Å; T301-H306 VanDerWaalsContact CG2-CE1 3.46Å; T301-H306 WeakPolarHBondContact CG2-CE1 3.19Å; T301-H306 PolarHBondContact OG1-CE1 3.49Å; F304-H306 PolarHBondContact O-CE1 3.36Å; F304-H306 PolarHBondContact O-ND1 2.94Å |
| 307 | A | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | M266 V267 I269 I285 Y297 Y298 | M266-A307 CarbonylContact C-O 3.52Å; M266-A307 WeakPolarHBondContact CA-O 3.31Å; V267-A307 HydrophobicContact CB-CB 4.44Å; V267-A307 PolarHBondContact N-O 3.01Å; V267-A307 PolarHBondContact O-N 2.84Å; I269-A307 HydrophobicContact CD1-CB 4.19Å; I285-A307 HydrophobicContact CG2-CB 4.09Å; Y297-A307 CarbonylContact O-C 3.56Å; Y297-A307 VanDerWaalsContact O-CA 3.32Å; Y297-A307 WeakPolarHBondContact O-CA 3.31Å; Y298-A307 HydrophobicContact CD2-CB 3.96Å; Y298-A307 HydrophobicContact CE2-CB 4.21Å |
| 308 | L | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121.5 | 170.7 | -60.7 | 171.7 | 0 | 0 | 0 | 108 | F186 V188 V241 W264 K265 M266 A296 Y297 | F186-L308 HydrophobicContact CB-CD2 4.21Å; F186-L308 HydrophobicContact CD2-CD2 3.95Å; F186-L308 HydrophobicContact CG-CD2 4.17Å; V188-L308 HydrophobicContact CG2-CD1 3.94Å; V241-L308 HydrophobicContact CG1-CD1 3.58Å; V241-L308 HydrophobicContact CG2-CD1 4.46Å; W264-L308 HydrophobicContact CB-CB 4.07Å; W264-L308 HydrophobicContact CE3-CB 4.21Å; K265-L308 WeakPolarHBondContact O-CA 3.39Å; M266-L308 HydrophobicContact CB-CD2 3.89Å; M266-L308 HydrophobicContact CE-CD2 3.82Å; M266-L308 HydrophobicContact CG-CD2 4.39Å; A296-L308 CarbonylContact C-O 3.53Å; A296-L308 WeakPolarHBondContact CA-O 3.22Å; A296-L308 WeakPolarHBondContact CB-O 3.08Å; Y297-L308 PolarHBondContact N-O 2.92Å; Y297-L308 PolarHBondContact O-N 3.1Å |
| 309 | V | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.3 | -178.9 | -67.5 | 0 | 0 | 0 | 0 | 109.8 | W264 K265 V267 L289 I294 A296 E311 I314 V317 | W264-V309 CarbonylContact C-O 3.57Å; W264-V309 WeakPolarHBondContact CA-O 3.12Å; K265-V309 HydrophobicContact CB-CG2 4.22Å; K265-V309 PolarHBondContact N-O 3.34Å; K265-V309 WeakPolarHBondContact O-CG2 3.48Å; K265-V309 PolarHBondContact O-N 2.93Å; V267-V309 HydrophobicContact CG2-CG2 4.37Å; L289-V309 HydrophobicContact CD1-CG1 4.03Å; I294-V309 HydrophobicContact CG2-CG1 4.46Å; A296-V309 HydrophobicContact CB-CG1 4.05Å; V309-E311 PolarHBondContact O-N 3.08Å; V309-I314 HydrophobicContact CG2-CD1 4.46Å; V309-V317 HydrophobicContact CB-CG2 3.83Å; V309-V317 HydrophobicContact CG1-CG1 4.44Å; V309-V317 HydrophobicContact CG1-CG2 3.9Å; V309-V317 HydrophobicContact CG2-CB 4.48Å; V309-V317 HydrophobicContact CG2-CG1 4.27Å; V309-V317 HydrophobicContact CG2-CG2 3.83Å |
| 310 | P | 92.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.019 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 138 | 177.7 | -19.8 | 30.2 | 0 | 0 | 0 | 110.5 | W264 P295 E312 N313 | W264-P310 HydrophobicContact CE3-CG 4.38Å; W264-P310 HydrophobicContact CH2-CG 4.13Å; W264-P310 HydrophobicContact CZ3-CG 3.81Å; P295-P310 HydrophobicContact CG-CG 3.67Å; P295-P310 VanDerWaalsContact O-CD 3.28Å; P295-P310 WeakPolarHBondContact O-CD 3.33Å; P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 VanDerWaalsContact CB-CD 3.47Å; P310-E312 HydrophobicContact CB-CG 4.3Å; P310-E312 WeakPolarHBondContact CB-OE2 3.44Å; P310-E312 PolarHBondContact O-N 3.06Å; P310-N313 HydrophobicContact CB-CB 4.36Å; P310-N313 WeakPolarHBondContact CB-OD1 3.37Å; P310-N313 PolarHBondContact O-N 3.17Å; P310-N313 VanDerWaalsContact O-N 3.08Å |
| 311 | E | 90.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 36.1 Ų | 36.1 | 42% | 0.416 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -54.6 | -45.6 | -179.2 | -176.1 | -154.5 | 173 | 0 | 0 | 112 | M185 L263 K265 V309 N313 I314 | M185-E311 HydrophobicContact CE-CB 3.74Å; M185-E311 HydrophobicContact CE-CG 3.37Å; M185-E311 WeakPolarHBondContact CE-OE2 3.15Å; M185-E311 HydrophobicContact SD-CG 4.17Å; L263-E311 PolarHBondContact O-N 2.99Å; L263-E311 VanDerWaalsContact O-N 3.1Å; K265-E311 HydrophobicContact CG-CB 4.35Å; K265-E311 HydrophobicContact CG-CG 4.22Å; V309-E311 PolarHBondContact O-N 3.08Å; E311-N313 PolarHBondContact O-N 3.33Å; E311-N313 VanDerWaalsContact O-N 3.11Å; E311-I314 WeakPolarHBondContact O-CB 3.42Å; E311-I314 WeakPolarHBondContact O-CG2 3.22Å; E311-I314 PolarHBondContact O-N 3.09Å; E311-I314 VanDerWaalsContact O-N 3.07Å |
| 312 | E | 88.8 | Confident | 91.8 | Very high | 137 Ų | 137 | 43.6 Ų | 43.6 | 64% | 0.64 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -61.5 | -22 | -178.1 | 66.2 | -88.3 | -151.5 | 0 | 0 | 112.7 | P310 | P310-E312 VanDerWaalsContact C-N 3.27Å; P310-E312 VanDerWaalsContact CB-CD 3.47Å; P310-E312 HydrophobicContact CB-CG 4.3Å; P310-E312 WeakPolarHBondContact CB-OE2 3.44Å; P310-E312 PolarHBondContact O-N 3.06Å |
| 313 | N | 87.6 | Confident | 89.9 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -93.6 | 1.3 | -179.9 | -69.3 | 102 | 0 | 0 | 0 | 113.7 | I294 P310 E311 Q315 S316 V317 | I294-N313 HydrophobicContact CG2-CB 4.12Å; P310-N313 HydrophobicContact CB-CB 4.36Å; P310-N313 WeakPolarHBondContact CB-OD1 3.37Å; P310-N313 PolarHBondContact O-N 3.17Å; P310-N313 VanDerWaalsContact O-N 3.08Å; E311-N313 PolarHBondContact O-N 3.33Å; E311-N313 VanDerWaalsContact O-N 3.11Å; N313-Q315 VanDerWaalsContact C-N 3.29Å; N313-Q315 PolarHBondContact O-N 3.09Å; N313-Q315 VanDerWaalsContact O-N 3.14Å; N313-S316 WeakPolarHBondContact O-CA 3.34Å; N313-S316 WeakPolarHBondContact O-CB 3.49Å; N313-S316 PolarHBondContact O-N 3.09Å; N313-V317 HydrophobicContact CB-CG2 4.43Å; N313-V317 WeakPolarHBondContact O-CG2 3.36Å; N313-V317 PolarHBondContact O-N 3.38Å |
| 314 | I | 86.4 | Confident | 87.8 | Confident | 34 Ų | 34 | 46 Ų | 46 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -37.5 | -170.7 | -168.6 | 58.4 | 0 | 0 | 0 | 114 | K265 V309 E311 V317 I318 | K265-I314 HydrophobicContact CB-CD1 4.06Å; K265-I314 HydrophobicContact CG-CD1 4.4Å; V309-I314 HydrophobicContact CG2-CD1 4.46Å; E311-I314 WeakPolarHBondContact O-CB 3.42Å; E311-I314 WeakPolarHBondContact O-CG2 3.22Å; E311-I314 PolarHBondContact O-N 3.09Å; E311-I314 VanDerWaalsContact O-N 3.07Å; I314-V317 PolarHBondContact O-N 2.94Å; I314-I318 HydrophobicContact CG1-CD1 4.28Å; I314-I318 VanDerWaalsContact O-CG1 3.29Å; I314-I318 WeakPolarHBondContact O-CG1 3.36Å; I314-I318 PolarHBondContact O-N 3.37Å |
| 315 | Q | 87.4 | Confident | 85.3 | Confident | 142 Ų | 142 | 51 Ų | 51 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.2 | -40.2 | 177.3 | -63.9 | -58.5 | -39.1 | 0 | 0 | 111.9 | N313 V317 I318 G319 | N313-Q315 VanDerWaalsContact C-N 3.29Å; N313-Q315 PolarHBondContact O-N 3.09Å; N313-Q315 VanDerWaalsContact O-N 3.14Å; Q315-V317 VanDerWaalsContact C-N 3.34Å; Q315-I318 PolarHBondContact O-N 2.9Å; Q315-G319 PolarHBondContact O-N 2.62Å |
| 316 | S | 90 | Very high | 82.4 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 48% | 0.476 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 175.1 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | N313 G319 A320 | N313-S316 WeakPolarHBondContact O-CA 3.34Å; N313-S316 WeakPolarHBondContact O-CB 3.49Å; N313-S316 PolarHBondContact O-N 3.09Å; S316-G319 PolarHBondContact O-N 3.22Å; S316-A320 WeakPolarHBondContact O-CB 3.29Å; S316-A320 PolarHBondContact O-N 3.34Å |
| 317 | V | 91.4 | Very high | 79.6 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | V267 L289 I294 V309 N313 I314 Q315 G319 A320 L321 | V267-V317 HydrophobicContact CG2-CG1 4.05Å; L289-V317 HydrophobicContact CD2-CB 4.33Å; L289-V317 HydrophobicContact CD2-CG1 4.1Å; L289-V317 HydrophobicContact CD2-CG2 3.95Å; I294-V317 HydrophobicContact CD1-CG2 3.82Å; I294-V317 HydrophobicContact CG2-CG2 3.91Å; V309-V317 HydrophobicContact CB-CG2 3.83Å; V309-V317 HydrophobicContact CG1-CG1 4.44Å; V309-V317 HydrophobicContact CG1-CG2 3.9Å; V309-V317 HydrophobicContact CG2-CB 4.48Å; V309-V317 HydrophobicContact CG2-CG1 4.27Å; V309-V317 HydrophobicContact CG2-CG2 3.83Å; N313-V317 HydrophobicContact CB-CG2 4.43Å; N313-V317 WeakPolarHBondContact O-CG2 3.36Å; N313-V317 PolarHBondContact O-N 3.38Å; I314-V317 PolarHBondContact O-N 2.94Å; Q315-V317 VanDerWaalsContact C-N 3.34Å; V317-G319 VanDerWaalsContact C-N 3.28Å; V317-G319 PolarHBondContact O-N 2.85Å; V317-A320 PolarHBondContact O-N 2.99Å; V317-L321 HydrophobicContact CG1-CD1 3.67Å; V317-L321 HydrophobicContact CG1-CG 4.25Å; V317-L321 WeakPolarHBondContact O-CB 3.42Å; V317-L321 VanDerWaalsContact O-CG 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 3.4Å |
| 318 | I | 86.8 | Confident | 76.9 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 177 | -69.3 | 166 | 0 | 0 | 0 | 110.5 | I314 Q315 R322 | I314-I318 HydrophobicContact CG1-CD1 4.28Å; I314-I318 VanDerWaalsContact O-CG1 3.29Å; I314-I318 WeakPolarHBondContact O-CG1 3.36Å; I314-I318 PolarHBondContact O-N 3.37Å; Q315-I318 PolarHBondContact O-N 2.9Å; I318-R322 HydrophobicContact CG2-CG 4.22Å; I318-R322 VanDerWaalsContact CG2-CZ 3.41Å; I318-R322 VanDerWaalsContact O-CB 3.24Å; I318-R322 WeakPolarHBondContact O-CB 3.23Å; I318-R322 VanDerWaalsContact O-CG 3.23Å; I318-R322 WeakPolarHBondContact O-CG 3.24Å; I318-R322 PolarHBondContact O-N 3.39Å |
| 319 | G | 87.8 | Confident | 73.8 | Confident | 33 Ų | 33 | 74 Ų | 74 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -52.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q315 S316 V317 L321 R322 T323 | Q315-G319 PolarHBondContact O-N 2.62Å; S316-G319 PolarHBondContact O-N 3.22Å; V317-G319 VanDerWaalsContact C-N 3.28Å; V317-G319 PolarHBondContact O-N 2.85Å; G319-L321 VanDerWaalsContact C-N 3.33Å; G319-L321 PolarHBondContact O-N 2.97Å; G319-R322 PolarHBondContact O-N 2.88Å; G319-T323 PolarHBondContact O-N 2.97Å; G319-T323 VanDerWaalsContact O-N 3.09Å; G319-T323 PolarHBondContact O-OG1 3.36Å |
| 320 | A | 88.9 | Confident | 72.7 | Confident | 17 Ų | 17 | 77.7 Ų | 77.7 | 14% | 0.14 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P288 A292 S316 V317 | P288-A320 HydrophobicContact CB-CB 4.36Å; A292-A320 HydrophobicContact CB-CB 4.19Å; S316-A320 WeakPolarHBondContact O-CB 3.29Å; S316-A320 PolarHBondContact O-N 3.34Å; V317-A320 PolarHBondContact O-N 2.99Å |
| 321 | L | 87.8 | Confident | 71.7 | Confident | 8 Ų | 8 | 81.6 Ų | 81.6 | 4% | 0.042 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -79.4 | -33.4 | -178.5 | -59.6 | 179.7 | 0 | 0 | 0 | 112.5 | I175 L179 V267 I285 P288 L289 V317 G319 | I175-L321 HydrophobicContact CD1-CB 3.68Å; I175-L321 HydrophobicContact CD1-CD2 3.63Å; I175-L321 HydrophobicContact CD1-CG 4.2Å; I175-L321 VanDerWaalsContact CD1-O 3.24Å; I175-L321 WeakPolarHBondContact CD1-O 3.47Å; L179-L321 HydrophobicContact CD1-CB 3.98Å; L179-L321 HydrophobicContact CD1-CD1 3.83Å; L179-L321 HydrophobicContact CD1-CG 4.43Å; V267-L321 HydrophobicContact CG1-CD1 4.19Å; I285-L321 HydrophobicContact CD1-CD2 4.33Å; I285-L321 HydrophobicContact CG2-CD2 4.34Å; P288-L321 HydrophobicContact CB-CD2 4.49Å; P288-L321 HydrophobicContact CG-CD2 3.8Å; L289-L321 HydrophobicContact CD2-CD2 4.43Å; L289-L321 HydrophobicContact CG-CD2 4.39Å; V317-L321 HydrophobicContact CG1-CD1 3.67Å; V317-L321 HydrophobicContact CG1-CG 4.25Å; V317-L321 WeakPolarHBondContact O-CB 3.42Å; V317-L321 VanDerWaalsContact O-CG 3.31Å; V317-L321 WeakPolarHBondContact O-CG 3.32Å; V317-L321 PolarHBondContact O-N 3.4Å; G319-L321 VanDerWaalsContact C-N 3.33Å; G319-L321 PolarHBondContact O-N 2.97Å |
| 322 | R | 80.1 | Confident | 70.6 | Confident | 161 Ų | 161 | 81.2 Ų | 81.2 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.4 | -33.6 | 176.3 | -75.8 | -179.2 | 178.8 | 169.2 | 3.2 | 114.1 | I318 G319 N324 E325 | I318-R322 HydrophobicContact CG2-CG 4.22Å; I318-R322 VanDerWaalsContact CG2-CZ 3.41Å; I318-R322 VanDerWaalsContact O-CB 3.24Å; I318-R322 WeakPolarHBondContact O-CB 3.23Å; I318-R322 VanDerWaalsContact O-CG 3.23Å; I318-R322 WeakPolarHBondContact O-CG 3.24Å; I318-R322 PolarHBondContact O-N 3.39Å; G319-R322 PolarHBondContact O-N 2.88Å; R322-N324 PolarHBondContact O-N 3.07Å; R322-N324 VanDerWaalsContact O-N 3.09Å; R322-E325 PolarHBondContact O-N 3.11Å |
| 323 | T | 59.3 | Low | 69.5 | Low | 94 Ų | 94 | 77.9 Ų | 77.9 | 58% | 0.577 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.8 | -26.2 | -174.6 | -46.4 | 0 | 0 | 0 | 0 | 112 | G319 S326 | G319-T323 PolarHBondContact O-N 2.97Å; G319-T323 VanDerWaalsContact O-N 3.09Å; G319-T323 PolarHBondContact O-OG1 3.36Å; T323-S326 PolarHBondContact O-OG 3.14Å; T323-S326 VanDerWaalsContact O-OG 3.09Å |
| 324 | N | 52.8 | Low | 68.4 | Low | 52 Ų | 52 | 80.1 Ų | 80.1 | 28% | 0.278 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9.7 | 178.5 | -73.8 | -13.3 | 0 | 0 | 0 | 115 | I175 R322 | I175-N324 HydrophobicContact CG1-CB 4.41Å; R322-N324 PolarHBondContact O-N 3.07Å; R322-N324 VanDerWaalsContact O-N 3.09Å |
| 325 | E | 46.8 | Very low | 67.2 | Low | 122 Ų | 122 | 83.1 Ų | 83.1 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -35.3 | 170 | -71.2 | -176.1 | 154.8 | 0 | 0 | 111 | R322 A327 | R322-E325 PolarHBondContact O-N 3.11Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.35Å |
| 326 | S | 38.1 | Very low | 65.8 | Low | 90 Ų | 90 | 78.9 Ų | 78.9 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -78.4 | -7.9 | -176.7 | 22 | 0 | 0 | 0 | 0 | 115.5 | T323 G328 | T323-S326 PolarHBondContact O-OG 3.14Å; T323-S326 VanDerWaalsContact O-OG 3.09Å; S326-G328 VanDerWaalsContact C-N 3.3Å |
| 327 | A | 39.8 | Very low | 63.9 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 69% | 0.686 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -87.4 | 4.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E325 | E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.35Å |
| 328 | G | 40.9 | Very low | 61.6 | Low | 63 Ų | 63 | 86.3 Ų | 86.3 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -109.2 | 15.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S326 | S326-G328 VanDerWaalsContact C-N 3.3Š|
| 329 | Q | 30.5 | Very low | 59.3 | Low | 258 Ų | 258 | 89.2 Ų | 89.2 | 100% | 1.206 | 52% | 0.52 | S | S | * | . | trans | -108.7 | 0 | 170.9 | -76.4 | -172.6 | 5.6 | 0 | 0 | 112.2 |
Retrieved 329 of 329 residues in 676.5 ms
(Link to these results)