| 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 | 72.9 | Confident | 94.2 | Very high | 134 Ų | 134 | 38.7 Ų | 38.7 | 66% | 0.66 | 19% | 0.19 | S | C | * | . | 0 | 135.4 | 0 | -167.1 | -175.9 | -75.9 | 0 | 0 | 107.1 | Y134 | M1-Y134 HydrophobicContact CB-CD2 3.9Å; M1-Y134 HydrophobicContact CB-CE2 4.11Å; M1-Y134 HydrophobicContact CE-CD2 4.08Å; M1-Y134 HydrophobicContact CE-CE2 3.34Å; M1-Y134 HydrophobicContact CG-CD2 4.36Å; M1-Y134 HydrophobicContact CG-CE2 4.48Å; M1-Y134 HydrophobicContact SD-CD2 3.6Å; M1-Y134 HydrophobicContact SD-CE2 3.53Å; M1-Y134 VanDerWaalsContact SD-CE2 3.53Å; M1-Y134 HydrophobicContact SD-CG 4.23Å | |||
| 2 | E | 92.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 20% | 0.201 | 17% | 0.174 | C | C | . | . | trans | -77 | 169.3 | -171.9 | -52.9 | 177.4 | 111.2 | 0 | 0 | 111.2 | D18 K34 V47 G48 G133 | E2-D18 WeakPolarHBondContact CA-OD1 3.42Å; E2-K34 HydrophobicContact CB-CD 4.47Å; E2-K34 WeakPolarHBondContact OE1-CD 3.47Å; E2-K34 WeakPolarHBondContact OE1-CE 3.4Å; E2-K34 IonicContact OE1-NZ 3.65Å; E2-K34 PolarHBondContact OE1-NZ 3.1Å; E2-V47 HydrophobicContact CB-CB 3.91Å; E2-V47 HydrophobicContact CB-CG1 3.44Å; E2-V47 VanDerWaalsContact CB-CG1 3.44Å; E2-V47 HydrophobicContact CG-CG1 4.3Å; E2-V47 VanDerWaalsContact OE2-CA 3.23Å; E2-V47 WeakPolarHBondContact OE2-CA 3.47Å; E2-V47 VanDerWaalsContact OE2-CB 3.28Å; E2-V47 WeakPolarHBondContact OE2-CB 3.47Å; E2-V47 WeakPolarHBondContact OE2-CG1 3.32Å; E2-G48 PolarHBondContact OE2-N 3.46Å; E2-G133 WeakPolarHBondContact O-CA 3.4Å | ||
| 3 | Y | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | trans | -133.1 | 129.9 | -179.5 | 176.3 | -99.1 | 0 | 0 | 0 | 111.8 | I5 A17 D18 A131 H132 T139 L167 F178 | Y3-I5 HydrophobicContact CE1-CB 3.81Å; Y3-I5 HydrophobicContact CE1-CG2 3.63Å; Y3-I5 WeakPolarHBondContact OH-CB 3.08Å; Y3-I5 VanDerWaalsContact OH-CD1 3.29Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.3Å; Y3-A17 WeakPolarHBondContact O-CA 3.43Å; Y3-D18 PolarHBondContact N-OD1 2.9Å; Y3-D18 PolarHBondContact O-N 3.39Å; Y3-D18 VanDerWaalsContact O-N 3.13Å; Y3-A131 HydrophobicContact CE2-CB 4.27Å; Y3-H132 WeakPolarHBondContact CD2-O 3.4Å; Y3-T139 HydrophobicContact CE2-CG2 4.49Å; Y3-T139 WeakPolarHBondContact OH-CB 3.38Å; Y3-T139 VanDerWaalsContact OH-CG2 3.28Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.32Å; Y3-T139 PolarHBondContact OH-OG1 3.46Å; Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.41Å; Y3-L167 HydrophobicContact CE1-CD1 3.52Å; Y3-L167 HydrophobicContact CE2-CD1 4.13Å; Y3-L167 HydrophobicContact CG-CD1 4.25Å; Y3-F178 HydrophobicContact CD1-CD1 4.33Å; Y3-F178 AromaticContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CE1-CE1 4.21Å | ||
| 4 | L | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 146.3 | 172.4 | -55.9 | 179.8 | 0 | 0 | 0 | 109.7 | A17 L45 V47 L103 A131 H132 | L4-A17 HydrophobicContact CD2-CB 3.54Å; L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.93Å; L4-L45 HydrophobicContact CD2-CD2 4.04Å; L4-L45 HydrophobicContact CG-CB 4.35Å; L4-V47 HydrophobicContact CD1-CB 4.22Å; L4-V47 HydrophobicContact CD1-CG1 3.72Å; L4-V47 HydrophobicContact CD1-CG2 3.64Å; L4-V47 HydrophobicContact CD2-CG1 3.59Å; L4-V47 HydrophobicContact CG-CB 4.32Å; L4-V47 HydrophobicContact CG-CG1 3.45Å; L4-V47 VanDerWaalsContact CG-CG1 3.45Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.35Å; L4-L103 HydrophobicContact CD1-CG 4.38Å; L4-A131 CarbonylContact O-C 3.13Å; L4-A131 WeakPolarHBondContact O-CA 3.48Å; L4-A131 WeakPolarHBondContact O-CB 3.4Å; L4-H132 HydrophobicContact CB-CB 4.27Å; L4-H132 HydrophobicContact CD1-CB 4.43Å; L4-H132 PolarHBondContact N-O 3.35Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 2.89Å |
| 5 | I | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 141 | 171.6 | -178.6 | 167.5 | 0 | 0 | 0 | 110.1 | Y3 I7 V15 A16 A130 L143 L160 C163 | Y3-I5 HydrophobicContact CE1-CB 3.81Å; Y3-I5 HydrophobicContact CE1-CG2 3.63Å; Y3-I5 WeakPolarHBondContact OH-CB 3.08Å; Y3-I5 VanDerWaalsContact OH-CD1 3.29Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.3Å; I5-I7 HydrophobicContact CG1-CG1 4.44Å; I5-V15 CarbonylContact O-C 3.54Å; I5-V15 WeakPolarHBondContact O-CA 3.48Å; I5-A16 HydrophobicContact CG2-CB 3.71Å; I5-A16 PolarHBondContact N-O 3.18Å; I5-A16 PolarHBondContact O-N 3.49Å; I5-A130 CarbonylContact C-O 3.54Å; I5-A130 WeakPolarHBondContact CA-O 3.33Å; I5-L143 HydrophobicContact CD1-CD1 3.87Å; I5-L143 HydrophobicContact CD1-CD2 4.36Å; I5-L143 HydrophobicContact CD1-CG 4.49Å; I5-L143 HydrophobicContact CG1-CD1 4.34Å; I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.47Å; I5-L160 HydrophobicContact CG2-CD1 3.56Å; I5-C163 HydrophobicContact CD1-CB 4.14Å |
| 6 | G | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 141.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L14 L115 F129 A130 | G6-L14 CarbonylContact C-O 3.58Å; G6-L14 WeakPolarHBondContact CA-O 3.49Å; G6-L115 VanDerWaalsContact C-CD2 3.42Å; G6-L115 WeakPolarHBondContact O-CD2 3.42Å; G6-F129 CarbonylContact O-C 3.55Å; G6-F129 WeakPolarHBondContact O-CA 3.31Å; G6-F129 WeakPolarHBondContact O-CB 3.26Å; G6-A130 PolarHBondContact N-O 3.11Å; G6-A130 PolarHBondContact O-N 3.06Å |
| 7 | I | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.7 | 178 | -56 | 170.2 | 0 | 0 | 0 | 107.4 | I5 L14 L143 Y147 L159 L160 | I5-I7 HydrophobicContact CG1-CG1 4.44Å; I7-L14 PolarHBondContact N-O 2.96Å; I7-L14 PolarHBondContact O-N 3.27Å; I7-L143 HydrophobicContact CD1-CD2 3.72Å; I7-L143 HydrophobicContact CG1-CD2 3.87Å; I7-Y147 HydrophobicContact CG2-CD2 4.06Å; I7-Y147 HydrophobicContact CG2-CE2 4.03Å; I7-L159 HydrophobicContact CD1-CD2 4.41Å; I7-L159 HydrophobicContact CD1-CG 4.33Å; I7-L160 HydrophobicContact CD1-CB 4.32Å |
| 8 | Q | 97.9 | Very high | 95.5 | Very high | 33 Ų | 33 | 24 Ų | 24 | 15% | 0.154 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.7 | 175.6 | -174.2 | -169.6 | -33 | 0 | 0 | 109.5 | V13 P113 L115 P128 Y147 | Q8-V13 HydrophobicContact CG-CG2 4.36Å; Q8-P113 HydrophobicContact CG-CB 4.06Å; Q8-P113 HydrophobicContact CG-CG 4.18Å; Q8-P113 PolarHBondContact NE2-O 2.97Å; Q8-L115 HydrophobicContact CB-CB 4.2Å; Q8-P128 WeakPolarHBondContact CA-O 2.95Å; Q8-P128 WeakPolarHBondContact CB-O 3.42Å; Q8-P128 PolarHBondContact N-O 3.41Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.29Å; Q8-Y147 PolarHBondContact O-OH 3.04Å |
| 9 | G | 95.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | trans | -89.7 | -166.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F12 P113 | G9-F12 PolarHBondContact N-O 2.74Å; G9-P113 WeakPolarHBondContact O-CG 3.43Å | ||
| 10 | Q | 93.6 | Very high | 95.3 | Very high | 141 Ų | 141 | 22.4 Ų | 22.4 | 66% | 0.659 | 11% | 0.11 | S | C | * | . | S | Bend | trans | -73 | -45.5 | -178.7 | -172.3 | 175.6 | 3.1 | 0 | 0 | 112.7 | P113 | Q10-P113 WeakPolarHBondContact O-CD 3.15Å; Q10-P113 VanDerWaalsContact O-CG 3.29Å; Q10-P113 WeakPolarHBondContact O-CG 3.33Å |
| 11 | D | 95.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 22.8 Ų | 22.8 | 36% | 0.364 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -119.8 | 6.8 | -176.9 | 67.6 | -51.6 | 0 | 0 | 0 | 113.3 | F107 R153 | D11-F107 WeakPolarHBondContact O-CD2 3.3Å; D11-F107 WeakPolarHBondContact O-CE2 3.45Å; D11-R153 IonicContact OD2-CZ 3.02Å; D11-R153 IonicContact OD2-NE 3.97Å; D11-R153 IonicContact OD2-NH2 2.62Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å |
| 12 | F | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -148.3 | 164.4 | -177.4 | 68 | -83.9 | 0 | 0 | 0 | 112.9 | G9 L14 L151 R153 A156 L182 I183 D184 | G9-F12 PolarHBondContact N-O 2.74Å; F12-L14 HydrophobicContact CD2-CB 4.21Å; F12-L14 HydrophobicContact CE2-CB 4.07Å; F12-L151 WeakPolarHBondContact CE1-O 3.3Å; F12-R153 HydrophobicContact CD1-CG 3.57Å; F12-R153 HydrophobicContact CE1-CB 4.31Å; F12-R153 HydrophobicContact CE1-CG 3.65Å; F12-R153 HydrophobicContact CG-CG 4.05Å; F12-R153 HydrophobicContact CZ-CB 4.42Å; F12-R153 HydrophobicContact CZ-CG 4.18Å; F12-A156 HydrophobicContact CE2-CB 3.61Å; F12-A156 HydrophobicContact CZ-CB 3.56Å; F12-L182 HydrophobicContact CB-CD1 4.36Å; F12-L182 HydrophobicContact CB-CD2 4.09Å; F12-L182 HydrophobicContact CB-CG 4.13Å; F12-L182 HydrophobicContact CD2-CD1 3.89Å; F12-L182 HydrophobicContact CD2-CG 4.21Å; F12-L182 HydrophobicContact CG-CD1 4.19Å; F12-L182 HydrophobicContact CG-CG 4.43Å; F12-I183 CarbonylContact C-O 3.54Å; F12-I183 WeakPolarHBondContact CA-O 3.14Å; F12-I183 WeakPolarHBondContact CB-O 3.42Å; F12-D184 HydrophobicContact CB-CB 4.31Å | ||
| 13 | V | 98 | Very high | 96 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.4 | 164.5 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | Q8 V15 A105 P113 L115 I183 | Q8-V13 HydrophobicContact CG-CG2 4.36Å; V13-V15 HydrophobicContact CG1-CG1 4.13Å; V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.66Å; V13-P113 HydrophobicContact CG2-CB 3.53Å; V13-L115 HydrophobicContact CG1-CB 4.15Å; V13-L115 HydrophobicContact CG1-CD1 4.2Å; V13-I183 HydrophobicContact CB-CD1 4.29Å; V13-I183 PolarHBondContact N-O 3.33Å; V13-I183 PolarHBondContact O-N 3.29Å |
| 14 | L | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129.1 | 173.9 | -175 | 71.4 | 0 | 0 | 0 | 108.9 | G6 I7 F12 A156 V157 L160 V180 L182 L191 | G6-L14 CarbonylContact C-O 3.58Å; G6-L14 WeakPolarHBondContact CA-O 3.49Å; I7-L14 PolarHBondContact N-O 2.96Å; I7-L14 PolarHBondContact O-N 3.27Å; F12-L14 HydrophobicContact CD2-CB 4.21Å; F12-L14 HydrophobicContact CE2-CB 4.07Å; L14-A156 HydrophobicContact CD2-CB 4.12Å; L14-V157 HydrophobicContact CD1-CG2 4.27Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; L14-L160 HydrophobicContact CD2-CB 4.16Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.4Å; L14-V180 HydrophobicContact CD1-CG1 3.56Å; L14-V180 HydrophobicContact CG-CG1 4.23Å; L14-L182 HydrophobicContact CD1-CB 4.24Å; L14-L182 HydrophobicContact CD1-CD1 4.47Å; L14-L191 HydrophobicContact CD1-CD1 3.78Å |
| 15 | V | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147 | 177.7 | -65.2 | 0 | 0 | 0 | 0 | 111.1 | I5 V13 M35 L43 L45 A105 V180 R181 I183 | I5-V15 CarbonylContact O-C 3.54Å; I5-V15 WeakPolarHBondContact O-CA 3.48Å; V13-V15 HydrophobicContact CG1-CG1 4.13Å; V15-M35 HydrophobicContact CG2-CE 4.29Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; V15-L43 HydrophobicContact CG2-CD2 4.01Å; V15-L45 HydrophobicContact CB-CD1 3.95Å; V15-L45 HydrophobicContact CB-CD2 3.96Å; V15-L45 HydrophobicContact CG1-CD1 3.89Å; V15-L45 HydrophobicContact CG2-CD1 4.15Å; V15-L45 HydrophobicContact CG2-CD2 4.31Å; V15-A105 HydrophobicContact CG1-CB 3.55Å; V15-V180 WeakPolarHBondContact O-CA 3.39Å; V15-R181 HydrophobicContact CG2-CB 3.99Å; V15-R181 WeakPolarHBondContact CG2-O 3.27Å; V15-R181 PolarHBondContact N-O 3.17Å; V15-R181 PolarHBondContact O-N 3.35Å; V15-I183 HydrophobicContact CG1-CD1 4.49Å; V15-I183 HydrophobicContact CG2-CD1 4.25Å |
| 16 | A | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I5 L160 T179 V180 | I5-A16 HydrophobicContact CG2-CB 3.71Å; I5-A16 PolarHBondContact N-O 3.18Å; I5-A16 PolarHBondContact O-N 3.49Å; A16-L160 HydrophobicContact CB-CD1 4.02Å; A16-L160 HydrophobicContact CB-CD2 3.85Å; A16-T179 WeakPolarHBondContact CA-O 3.47Å; A16-V180 HydrophobicContact CB-CG2 4.03Å |
| 17 | A | 97.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y3 L4 K34 M35 L45 F178 T179 | Y3-A17 WeakPolarHBondContact O-CA 3.43Å; L4-A17 HydrophobicContact CD2-CB 3.54Å; A17-K34 HydrophobicContact CB-CB 4.11Å; A17-M35 HydrophobicContact CB-CE 3.74Å; A17-M35 HydrophobicContact CB-CG 4.4Å; A17-M35 VanDerWaalsContact N-CE 3.34Å; A17-L45 HydrophobicContact CB-CD2 4.24Å; A17-F178 CarbonylContact O-C 3.57Å; A17-F178 WeakPolarHBondContact O-CA 3.45Å; A17-T179 PolarHBondContact N-O 3.23Å; A17-T179 VanDerWaalsContact N-O 3.09Å; A17-T179 PolarHBondContact O-N 2.92Å |
| 18 | D | 95.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 152 | 170.6 | 80.2 | -75.8 | 0 | 0 | 0 | 111.1 | E2 Y3 I20 K34 L175 F178 | E2-D18 WeakPolarHBondContact CA-OD1 3.42Å; Y3-D18 PolarHBondContact N-OD1 2.9Å; Y3-D18 PolarHBondContact O-N 3.39Å; Y3-D18 VanDerWaalsContact O-N 3.13Å; D18-I20 PolarHBondContact OD2-N 3.07Å; D18-K34 WeakPolarHBondContact O-CD 3.49Å; D18-K34 WeakPolarHBondContact O-CE 3.46Å; D18-K34 IonicContact OD1-NZ 3.87Å; D18-K34 PolarHBondContact OD1-NZ 2.81Å; D18-K34 IonicContact OD2-NZ 2.83Å; D18-K34 PolarHBondContact OD2-NZ 3.23Å; D18-L175 HydrophobicContact CB-CD1 4.29Å; D18-L175 HydrophobicContact CB-CD2 4.15Å; D18-F178 HydrophobicContact CB-CD1 4.13Å; D18-F178 HydrophobicContact CB-CE1 3.88Å |
| 19 | N | 94.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | trans | -98.1 | 8.8 | -176.8 | -62.1 | 124.9 | 0 | 0 | 0 | 115.5 | Q30 D31 Q32 S177 F178 T179 | N19-Q30 WeakPolarHBondContact CB-O 3.42Å; N19-Q30 CarbonylContact O-C 3.54Å; N19-Q30 WeakPolarHBondContact O-CA 3.37Å; N19-D31 PolarHBondContact O-N 3.31Å; N19-Q32 WeakPolarHBondContact CA-O 3.39Å; N19-Q32 PolarHBondContact ND2-O 2.88Å; N19-Q32 WeakPolarHBondContact O-CB 3.44Å; N19-Q32 PolarHBondContact O-N 3.39Å; N19-S177 WeakPolarHBondContact CB-OG 3.41Å; N19-S177 PolarHBondContact N-O 3.27Å; N19-S177 VanDerWaalsContact OD1-C 3.23Å; N19-S177 WeakPolarHBondContact OD1-CB 3.33Å; N19-S177 PolarHBondContact OD1-O 3.03Å; N19-S177 PolarHBondContact OD1-OG 3.26Å; N19-F178 WeakPolarHBondContact OD1-CA 3.48Å; N19-F178 PolarHBondContact OD1-N 2.92Å; N19-T179 PolarHBondContact ND2-OG1 2.94Å; N19-T179 PolarHBondContact OD1-N 3.04Å | ||
| 20 | I | 93.1 | Very high | 93.9 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | trans | -87.5 | 130.6 | -174.9 | -69.5 | 163.6 | 0 | 0 | 0 | 110.5 | D18 A22 Q27 K29 K34 N174 L175 P176 | D18-I20 PolarHBondContact OD2-N 3.07Å; I20-A22 HydrophobicContact CG2-CB 3.85Å; I20-Q27 HydrophobicContact CG2-CG 4.08Å; I20-K29 WeakPolarHBondContact CA-O 3.09Å; I20-K34 WeakPolarHBondContact O-CE 3.4Å; I20-K34 PolarHBondContact O-NZ 3.41Å; I20-N174 WeakPolarHBondContact CD1-O 3.34Å; I20-L175 HydrophobicContact CD1-CD2 3.75Å; I20-P176 HydrophobicContact CD1-CG 4.27Å; I20-P176 HydrophobicContact CG1-CG 4.38Å | ||
| 21 | A | 93 | Very high | 93.9 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 112.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | M28 K29 Q32 | A21-M28 PolarHBondContact O-N 3.23Å; A21-K29 HydrophobicContact CB-CB 4.04Å; A21-K29 PolarHBondContact N-O 3.14Å; A21-K29 PolarHBondContact O-N 2.92Å; A21-K29 VanDerWaalsContact O-N 3.09Å; A21-Q32 HydrophobicContact CB-CB 4.09Å; A21-Q32 HydrophobicContact CB-CG 4.24Å |
| 22 | A | 91.4 | Very high | 93.8 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 54% | 0.537 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I20 I26 | I20-A22 HydrophobicContact CG2-CB 3.85Å; A22-I26 WeakPolarHBondContact CA-O 3.47Å |
| 23 | N | 91.4 | Very high | 93.7 | Very high | 114 Ų | 114 | 54.3 Ų | 54.3 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.2 | 170.2 | -169 | -35.8 | 0 | 0 | 0 | 108.1 | I25 I26 M28 | N23-I25 PolarHBondContact O-N 3.4Å; N23-I26 PolarHBondContact N-O 2.93Å; N23-I26 PolarHBondContact O-N 3.41Å; N23-M28 HydrophobicContact CB-CG 4.01Å |
| 24 | S | 90.9 | Very high | 93.6 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | -129.6 | -169.1 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 25 | I | 89.8 | Confident | 93.6 | Very high | 162 Ų | 162 | 55 Ų | 55 | 83% | 0.831 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.5 | -179.4 | 63.4 | 174.3 | 0 | 0 | 0 | 113.9 | N23 | N23-I25 PolarHBondContact O-N 3.4Š|
| 26 | I | 91.1 | Very high | 93.5 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 52% | 0.518 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.9 | -170.8 | -49.7 | 177.7 | 0 | 0 | 0 | 110 | A22 N23 M28 | A22-I26 WeakPolarHBondContact CA-O 3.47Å; N23-I26 PolarHBondContact N-O 2.93Å; N23-I26 PolarHBondContact O-N 3.41Å; I26-M28 HydrophobicContact CB-CE 3.42Å; I26-M28 VanDerWaalsContact CB-CE 3.42Å; I26-M28 HydrophobicContact CD1-CE 4.25Å; I26-M28 HydrophobicContact CG1-CE 4.39Å; I26-M28 HydrophobicContact CG2-CE 3.37Å; I26-M28 PolarHBondContact O-N 3.31Å |
| 27 | Q | 91.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 109.8 | 168.3 | -64.7 | -179.1 | -15.4 | 0 | 0 | 108.8 | I20 N174 | I20-Q27 HydrophobicContact CG2-CG 4.08Å; Q27-N174 PolarHBondContact NE2-O 3.47Å |
| 28 | M | 92.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 60.9 Ų | 60.9 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | -37.5 | -179.7 | -65.8 | -71.4 | 124.4 | 0 | 0 | 111.5 | A21 N23 I26 | A21-M28 PolarHBondContact O-N 3.23Å; N23-M28 HydrophobicContact CB-CG 4.01Å; I26-M28 HydrophobicContact CB-CE 3.42Å; I26-M28 VanDerWaalsContact CB-CE 3.42Å; I26-M28 HydrophobicContact CD1-CE 4.25Å; I26-M28 HydrophobicContact CG1-CE 4.39Å; I26-M28 HydrophobicContact CG2-CE 3.37Å; I26-M28 PolarHBondContact O-N 3.31Å |
| 29 | K | 92.2 | Very high | 93.4 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 35% | 0.352 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 143.4 | -175.8 | -166 | 174.7 | 174.2 | -173.1 | 0 | 110.5 | I20 A21 D31 Q32 | I20-K29 WeakPolarHBondContact CA-O 3.09Å; A21-K29 HydrophobicContact CB-CB 4.04Å; A21-K29 PolarHBondContact N-O 3.14Å; A21-K29 PolarHBondContact O-N 2.92Å; A21-K29 VanDerWaalsContact O-N 3.09Å; K29-D31 WeakPolarHBondContact CD-OD1 3.12Å; K29-D31 WeakPolarHBondContact CE-OD1 3.27Å; K29-D31 WeakPolarHBondContact CE-OD2 3.21Å; K29-D31 WeakPolarHBondContact CG-OD1 3.5Å; K29-D31 IonicContact NZ-OD2 2.73Å; K29-Q32 HydrophobicContact CD-CB 4.38Å |
| 30 | Q | 90.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 64 Ų | 64 | 27% | 0.271 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -117.3 | 2.4 | 180 | -65.6 | -178.4 | -0.6 | 0 | 0 | 113.1 | N19 | N19-Q30 WeakPolarHBondContact CB-O 3.42Å; N19-Q30 CarbonylContact O-C 3.54Å; N19-Q30 WeakPolarHBondContact O-CA 3.37Å |
| 31 | D | 92.3 | Very high | 93.5 | Very high | 95 Ų | 95 | 65.2 Ų | 65.2 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | trans | -125.5 | 28.3 | -179.6 | 65.1 | -47.4 | 0 | 0 | 0 | 111.3 | N19 K29 D33 | N19-D31 PolarHBondContact O-N 3.31Å; K29-D31 WeakPolarHBondContact CD-OD1 3.12Å; K29-D31 WeakPolarHBondContact CE-OD1 3.27Å; K29-D31 WeakPolarHBondContact CE-OD2 3.21Å; K29-D31 WeakPolarHBondContact CG-OD1 3.5Å; K29-D31 IonicContact NZ-OD2 2.73Å; D31-D33 PolarHBondContact O-N 3.38Å | ||
| 32 | Q | 93.8 | Very high | 93.7 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | trans | -69.8 | 126.9 | 175.3 | -175.4 | 62.3 | 19.2 | 0 | 0 | 109.9 | N19 A21 K29 K34 | N19-Q32 WeakPolarHBondContact CA-O 3.39Å; N19-Q32 PolarHBondContact ND2-O 2.88Å; N19-Q32 WeakPolarHBondContact O-CB 3.44Å; N19-Q32 PolarHBondContact O-N 3.39Å; A21-Q32 HydrophobicContact CB-CB 4.09Å; A21-Q32 HydrophobicContact CB-CG 4.24Å; K29-Q32 HydrophobicContact CD-CB 4.38Å; Q32-K34 HydrophobicContact CG-CG 4.39Å | ||
| 33 | D | 94.8 | Very high | 94 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | trans | -91.7 | 131.5 | 167.8 | -166.2 | -2.1 | 0 | 0 | 0 | 109.3 | D31 M35 R181 | D31-D33 PolarHBondContact O-N 3.38Å; D33-M35 VanDerWaalsContact OD1-CB 3.29Å; D33-M35 WeakPolarHBondContact OD1-CB 3.42Å; D33-M35 PolarHBondContact OD1-N 3.35Å; D33-R181 IonicContact OD1-NH1 2.72Å; D33-R181 IonicContact OD2-CZ 2.92Å; D33-R181 VanDerWaalsContact OD2-CZ 3.31Å; D33-R181 IonicContact OD2-NH1 3.09Å; D33-R181 PolarHBondContact OD2-NH1 2.96Å; D33-R181 IonicContact OD2-NH2 3.27Å; D33-R181 PolarHBondContact OD2-NH2 3.38Å | ||
| 34 | K | 95.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | trans | -110.2 | 7.4 | -178.4 | -54.4 | -176.4 | -172.8 | -175 | 0 | 111.9 | E2 A17 D18 I20 Q32 L45 C46 V47 | E2-K34 HydrophobicContact CB-CD 4.47Å; E2-K34 WeakPolarHBondContact OE1-CD 3.47Å; E2-K34 WeakPolarHBondContact OE1-CE 3.4Å; E2-K34 IonicContact OE1-NZ 3.65Å; E2-K34 PolarHBondContact OE1-NZ 3.1Å; A17-K34 HydrophobicContact CB-CB 4.11Å; D18-K34 WeakPolarHBondContact O-CD 3.49Å; D18-K34 WeakPolarHBondContact O-CE 3.46Å; D18-K34 IonicContact OD1-NZ 3.87Å; D18-K34 PolarHBondContact OD1-NZ 2.81Å; D18-K34 IonicContact OD2-NZ 2.83Å; D18-K34 PolarHBondContact OD2-NZ 3.23Å; I20-K34 WeakPolarHBondContact O-CE 3.4Å; I20-K34 PolarHBondContact O-NZ 3.41Å; Q32-K34 HydrophobicContact CG-CG 4.39Å; K34-L45 WeakPolarHBondContact O-CA 3.33Å; K34-C46 PolarHBondContact O-N 2.81Å; K34-C46 VanDerWaalsContact O-N 3.11Å; K34-V47 HydrophobicContact CD-CG1 4.2Å | ||
| 35 | M | 97.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.044 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.6 | -174.2 | -56.9 | -166.8 | -167.4 | 0 | 0 | 110.5 | V15 A17 D33 L43 L44 L45 T179 R181 | V15-M35 HydrophobicContact CG2-CE 4.29Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; A17-M35 HydrophobicContact CB-CE 3.74Å; A17-M35 HydrophobicContact CB-CG 4.4Å; A17-M35 VanDerWaalsContact N-CE 3.34Å; D33-M35 VanDerWaalsContact OD1-CB 3.29Å; D33-M35 WeakPolarHBondContact OD1-CB 3.42Å; D33-M35 PolarHBondContact OD1-N 3.35Å; M35-L43 HydrophobicContact CB-CD1 4.24Å; M35-L43 HydrophobicContact CB-CD2 3.84Å; M35-L43 HydrophobicContact CB-CG 4.26Å; M35-L43 HydrophobicContact CG-CD2 4.1Å; M35-L43 HydrophobicContact SD-CD1 4.41Å; M35-L43 HydrophobicContact SD-CD2 4Å; M35-L44 CarbonylContact C-O 3.54Å; M35-L44 WeakPolarHBondContact CA-O 3.15Å; M35-L45 HydrophobicContact CE-CD2 3.79Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.89Å; M35-L45 HydrophobicContact SD-CD2 4.07Å; M35-L45 HydrophobicContact SD-CG 4.45Å; M35-T179 HydrophobicContact CE-CG2 4.11Å; M35-T179 WeakPolarHBondContact CE-O 3.25Å; M35-T179 HydrophobicContact SD-CG2 4.34Å; M35-R181 PolarHBondContact O-NH1 3.17Å; M35-R181 HydrophobicContact SD-CB 4.11Å; M35-R181 HydrophobicContact SD-CG 3.91Å |
| 36 | F | 97.8 | Very high | 95 | Very high | 33 Ų | 33 | 42.6 Ų | 42.6 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.4 | -177.4 | -59.5 | -96.4 | 0 | 0 | 0 | 109.8 | L38 L44 C46 A57 | F36-L38 PolarHBondContact O-N 2.72Å; F36-L44 HydrophobicContact CB-CB 4.5Å; F36-L44 PolarHBondContact N-O 2.86Å; F36-L44 PolarHBondContact O-N 3.21Å; F36-C46 HydrophobicContact CD2-CB 4.43Å; F36-C46 HydrophobicContact CE2-CB 4.11Å; F36-A57 HydrophobicContact CB-CB 4.46Å; F36-A57 HydrophobicContact CD1-CB 3.88Å; F36-A57 HydrophobicContact CD2-CB 3.45Å; F36-A57 VanDerWaalsContact CD2-CB 3.45Å; F36-A57 HydrophobicContact CE1-CB 3.89Å; F36-A57 HydrophobicContact CE2-CB 3.48Å; F36-A57 VanDerWaalsContact CE2-CB 3.48Å; F36-A57 HydrophobicContact CG-CB 3.67Å; F36-A57 HydrophobicContact CZ-CB 3.7Å |
| 37 | K | 97.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 38 Ų | 38 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 106.2 | 175.6 | -177.3 | 174.6 | 176.9 | -174.8 | 0 | 109.7 | S39 D40 Q61 I188 | K37-S39 WeakPolarHBondContact CE-O 3.16Å; K37-S39 WeakPolarHBondContact CG-O 3.36Å; K37-D40 WeakPolarHBondContact CE-OD1 3.36Å; K37-D40 IonicContact NZ-OD1 3.25Å; K37-D40 PolarHBondContact NZ-OD1 2.84Å; K37-Q61 WeakPolarHBondContact O-CG 3.27Å; K37-Q61 PolarHBondContact O-NE2 3.09Å; K37-I188 HydrophobicContact CD-CD1 4.07Å; K37-I188 HydrophobicContact CG-CD1 3.77Å |
| 38 | L | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -36.6 | 179.3 | -60.9 | -175.4 | 0 | 0 | 0 | 112.2 | F36 I42 L44 I60 Q61 I64 Q65 L104 | F36-L38 PolarHBondContact O-N 2.72Å; L38-I42 HydrophobicContact CB-CB 4.18Å; L38-I42 HydrophobicContact CB-CG2 3.91Å; L38-I42 HydrophobicContact CD1-CG2 3.81Å; L38-I42 HydrophobicContact CG-CG2 4.29Å; L38-I42 PolarHBondContact N-O 2.89Å; L38-L44 HydrophobicContact CD1-CB 3.64Å; L38-L44 HydrophobicContact CD1-CD2 4.39Å; L38-L44 HydrophobicContact CD1-CG 4.46Å; L38-L44 HydrophobicContact CD2-CB 3.94Å; L38-L44 HydrophobicContact CD2-CD2 4.15Å; L38-L44 HydrophobicContact CG-CB 3.72Å; L38-I60 HydrophobicContact CD1-CG2 4.24Å; L38-I60 HydrophobicContact CD2-CG2 4.06Å; L38-Q61 HydrophobicContact CD2-CB 3.82Å; L38-Q61 HydrophobicContact CD2-CG 4.29Å; L38-I64 HydrophobicContact CB-CD1 4.05Å; L38-I64 HydrophobicContact CB-CG2 4.38Å; L38-I64 HydrophobicContact CD1-CD1 3.63Å; L38-I64 HydrophobicContact CD2-CD1 4.33Å; L38-I64 HydrophobicContact CG-CD1 4.22Å; L38-I64 WeakPolarHBondContact O-CG2 3.06Å; L38-Q65 PolarHBondContact O-NE2 3.3Å; L38-L104 HydrophobicContact CD1-CD1 3.89Å; L38-L104 HydrophobicContact CD1-CG 4.49Å |
| 39 | S | 94 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | -174.9 | 177 | -120.5 | 0 | 0 | 0 | 0 | 109.8 | K37 K41 I42 E74 | K37-S39 WeakPolarHBondContact CE-O 3.16Å; K37-S39 WeakPolarHBondContact CG-O 3.36Å; S39-K41 PolarHBondContact O-N 2.84Å; S39-I42 PolarHBondContact N-O 3.47Å; S39-E74 PolarHBondContact OG-OE1 3.27Å; S39-E74 VanDerWaalsContact OG-OE1 3.09Å; S39-E74 PolarHBondContact OG-OE2 2.88Å |
| 40 | D | 93.3 | Very high | 95.4 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -29.1 | -179.6 | -68.4 | -36.2 | 0 | 0 | 0 | 113.1 | K37 K68 E74 I188 | K37-D40 WeakPolarHBondContact CE-OD1 3.36Å; K37-D40 IonicContact NZ-OD1 3.25Å; K37-D40 PolarHBondContact NZ-OD1 2.84Å; D40-K68 IonicContact OD2-NZ 2.77Å; D40-K68 PolarHBondContact OD2-NZ 3.22Å; D40-E74 WeakPolarHBondContact CB-OE1 3.02Å; D40-E74 PolarHBondContact N-OE1 2.98Å; D40-E74 PolarHBondContact N-OE2 3.03Å; D40-I188 WeakPolarHBondContact O-CG1 3.38Å |
| 41 | K | 95.7 | Very high | 95.5 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 16.2 | 179.7 | -55.5 | -176.9 | -178.5 | -174.6 | 0 | 114.3 | S39 G106 F107 E109 T185 | S39-K41 PolarHBondContact O-N 2.84Å; K41-G106 CarbonylContact O-C 3.59Å; K41-G106 WeakPolarHBondContact O-CA 3.43Å; K41-F107 WeakPolarHBondContact CB-O 3.49Å; K41-F107 PolarHBondContact O-N 3.25Å; K41-E109 IonicContact NZ-OE1 2.65Å; K41-E109 PolarHBondContact NZ-OE1 3.31Å; K41-T185 WeakPolarHBondContact CE-O 3.27Å; K41-T185 PolarHBondContact NZ-O 3.07Å |
| 42 | I | 97.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.6 | -178.1 | -56.2 | 177.2 | 0 | 0 | 0 | 111 | L38 S39 L75 P77 A80 L104 | L38-I42 HydrophobicContact CB-CB 4.18Å; L38-I42 HydrophobicContact CB-CG2 3.91Å; L38-I42 HydrophobicContact CD1-CG2 3.81Å; L38-I42 HydrophobicContact CG-CG2 4.29Å; L38-I42 PolarHBondContact N-O 2.89Å; S39-I42 PolarHBondContact N-O 3.47Å; I42-L75 WeakPolarHBondContact CD1-O 3.1Å; I42-P77 HydrophobicContact CD1-CG 4.3Å; I42-P77 HydrophobicContact CG1-CG 4.14Å; I42-A80 HydrophobicContact CD1-CB 3.97Å; I42-A80 HydrophobicContact CG2-CB 4.41Å; I42-L104 HydrophobicContact CG2-CD1 4.37Å; I42-L104 HydrophobicContact CG2-CD2 3.91Å; I42-L104 HydrophobicContact CG2-CG 4.11Å |
| 43 | L | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.5 | -178.6 | -171.1 | 144.2 | 0 | 0 | 0 | 110.9 | V15 M35 L45 A105 R181 I183 I188 | V15-L43 HydrophobicContact CG2-CD2 4.01Å; M35-L43 HydrophobicContact CB-CD1 4.24Å; M35-L43 HydrophobicContact CB-CD2 3.84Å; M35-L43 HydrophobicContact CB-CG 4.26Å; M35-L43 HydrophobicContact CG-CD2 4.1Å; M35-L43 HydrophobicContact SD-CD1 4.41Å; M35-L43 HydrophobicContact SD-CD2 4Å; L43-L45 HydrophobicContact CD2-CD1 3.35Å; L43-L45 HydrophobicContact CD2-CG 3.72Å; L43-A105 PolarHBondContact N-O 2.79Å; L43-A105 PolarHBondContact O-N 2.88Å; L43-A105 VanDerWaalsContact O-O 3.1Å; L43-R181 HydrophobicContact CD1-CB 4.4Å; L43-I183 HydrophobicContact CB-CD1 4.11Å; L43-I183 HydrophobicContact CB-CG1 4.5Å; L43-I188 HydrophobicContact CB-CD1 4.24Å; L43-I188 HydrophobicContact CD1-CD1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.85Å |
| 44 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123 | 178.4 | -179.4 | 69.3 | 0 | 0 | 0 | 109.4 | M35 F36 L38 A57 I60 L102 L104 | M35-L44 CarbonylContact C-O 3.54Å; M35-L44 WeakPolarHBondContact CA-O 3.15Å; F36-L44 HydrophobicContact CB-CB 4.5Å; F36-L44 PolarHBondContact N-O 2.86Å; F36-L44 PolarHBondContact O-N 3.21Å; L38-L44 HydrophobicContact CD1-CB 3.64Å; L38-L44 HydrophobicContact CD1-CD2 4.39Å; L38-L44 HydrophobicContact CD1-CG 4.46Å; L38-L44 HydrophobicContact CD2-CB 3.94Å; L38-L44 HydrophobicContact CD2-CD2 4.15Å; L38-L44 HydrophobicContact CG-CB 3.72Å; L44-A57 HydrophobicContact CD2-CB 4.22Å; L44-I60 HydrophobicContact CD2-CB 4.47Å; L44-I60 HydrophobicContact CD2-CG2 4.33Å; L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD2 4.22Å; L44-L104 HydrophobicContact CD1-CB 4.14Å; L44-L104 HydrophobicContact CD1-CD1 4.43Å |
| 45 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.2 | 170.5 | -57.6 | 91.3 | 0 | 0 | 0 | 108.3 | L4 V15 A17 K34 M35 L43 L102 L103 | L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.93Å; L4-L45 HydrophobicContact CD2-CD2 4.04Å; L4-L45 HydrophobicContact CG-CB 4.35Å; V15-L45 HydrophobicContact CB-CD1 3.95Å; V15-L45 HydrophobicContact CB-CD2 3.96Å; V15-L45 HydrophobicContact CG1-CD1 3.89Å; V15-L45 HydrophobicContact CG2-CD1 4.15Å; V15-L45 HydrophobicContact CG2-CD2 4.31Å; A17-L45 HydrophobicContact CB-CD2 4.24Å; K34-L45 WeakPolarHBondContact O-CA 3.33Å; M35-L45 HydrophobicContact CE-CD2 3.79Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.89Å; M35-L45 HydrophobicContact SD-CD2 4.07Å; M35-L45 HydrophobicContact SD-CG 4.45Å; L43-L45 HydrophobicContact CD2-CD1 3.35Å; L43-L45 HydrophobicContact CD2-CG 3.72Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.42Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.02Å; L45-L103 WeakPolarHBondContact CD1-O 3.44Å; L45-L103 PolarHBondContact N-O 3.5Å; L45-L103 PolarHBondContact O-N 2.88Å |
| 46 | C | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 130.3 | -174.8 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | K34 F36 T53 A57 L102 | K34-C46 PolarHBondContact O-N 2.81Å; K34-C46 VanDerWaalsContact O-N 3.11Å; F36-C46 HydrophobicContact CD2-CB 4.43Å; F36-C46 HydrophobicContact CE2-CB 4.11Å; C46-T53 VanDerWaalsContact SG-CA 3.51Å; C46-T53 VanDerWaalsContact SG-CB 3.6Å; C46-A57 HydrophobicContact CB-CB 4.28Å; C46-L102 HydrophobicContact CB-CD2 3.68Å; C46-L102 WeakPolarHBondContact SG-CD2 3.45Å |
| 47 | V | 96.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 33.9 Ų | 33.9 | 4% | 0.036 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.9 | 174.3 | -68.7 | 0 | 0 | 0 | 0 | 111.1 | E2 L4 K34 T53 V100 N101 H132 | E2-V47 HydrophobicContact CB-CB 3.91Å; E2-V47 HydrophobicContact CB-CG1 3.44Å; E2-V47 VanDerWaalsContact CB-CG1 3.44Å; E2-V47 HydrophobicContact CG-CG1 4.3Å; E2-V47 VanDerWaalsContact OE2-CA 3.23Å; E2-V47 WeakPolarHBondContact OE2-CA 3.47Å; E2-V47 VanDerWaalsContact OE2-CB 3.28Å; E2-V47 WeakPolarHBondContact OE2-CB 3.47Å; E2-V47 WeakPolarHBondContact OE2-CG1 3.32Å; L4-V47 HydrophobicContact CD1-CB 4.22Å; L4-V47 HydrophobicContact CD1-CG1 3.72Å; L4-V47 HydrophobicContact CD1-CG2 3.64Å; L4-V47 HydrophobicContact CD2-CG1 3.59Å; L4-V47 HydrophobicContact CG-CB 4.32Å; L4-V47 HydrophobicContact CG-CG1 3.45Å; L4-V47 VanDerWaalsContact CG-CG1 3.45Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; K34-V47 HydrophobicContact CD-CG1 4.2Å; V47-T53 VanDerWaalsContact C-CG2 3.43Å; V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.28Å; V47-N101 HydrophobicContact CG2-CB 4.12Å; V47-N101 PolarHBondContact N-O 3.16Å; V47-N101 PolarHBondContact O-N 2.99Å; V47-H132 HydrophobicContact CG2-CB 3.96Å |
| 48 | G | 95.2 | Very high | 95.9 | Very high | 37 Ų | 37 | 32.6 Ų | 32.6 | 38% | 0.381 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | -144.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E2 T53 H99 | E2-G48 PolarHBondContact OE2-N 3.46Å; G48-T53 VanDerWaalsContact N-CG2 3.29Å; G48-H99 WeakPolarHBondContact CA-O 3.37Å |
| 49 | E | 94.8 | Very high | 96 | Very high | 120 Ų | 120 | 36.3 Ų | 36.3 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -66.6 | 130.5 | 177.4 | -174.9 | 59.7 | -153.6 | 0 | 0 | 110.6 | G51 D52 T53 H99 | E49-G51 VanDerWaalsContact C-N 3.32Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.17Å; E49-D52 HydrophobicContact CB-CB 4.15Å; E49-D52 PolarHBondContact O-N 2.83Å; E49-T53 WeakPolarHBondContact O-CG2 3.09Å; E49-T53 PolarHBondContact O-N 3.23Å; E49-H99 HydrophobicContact CB-CB 4.03Å; E49-H99 PolarHBondContact N-O 2.81Å |
| 50 | A | 89.9 | Confident | 96.2 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 64% | 0.636 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -58.8 | -37.6 | -163.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T53 | A50-T53 PolarHBondContact O-OG1 3.28Å |
| 51 | G | 92.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 35.6 Ų | 35.6 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.6 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E49 Q55 | E49-G51 VanDerWaalsContact C-N 3.32Å; E49-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact O-N 3.17Å; G51-Q55 WeakPolarHBondContact O-CB 3.39Å; G51-Q55 WeakPolarHBondContact O-CG 3.41Å; G51-Q55 PolarHBondContact O-N 3.39Å |
| 52 | D | 96.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 20% | 0.198 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.8 | -38.3 | -175.3 | -72.2 | -6.2 | 0 | 0 | 0 | 111.9 | E49 V54 Q55 F56 Y98 H99 V100 | E49-D52 HydrophobicContact CB-CB 4.15Å; E49-D52 PolarHBondContact O-N 2.83Å; D52-V54 PolarHBondContact O-N 3.11Å; D52-Q55 PolarHBondContact O-N 3.33Å; D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.25Å; D52-Y98 HydrophobicContact CB-CD1 3.86Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.39Å; D52-H99 PolarHBondContact OD2-N 3.25Å; D52-V100 HydrophobicContact CB-CG1 3.78Å |
| 53 | T | 95.6 | Very high | 96.5 | Very high | 13 Ų | 13 | 42 Ų | 42 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.4 | -52.3 | -175.5 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | C46 V47 G48 E49 A50 A57 V100 | C46-T53 VanDerWaalsContact SG-CA 3.51Å; C46-T53 VanDerWaalsContact SG-CB 3.6Å; V47-T53 VanDerWaalsContact C-CG2 3.43Å; G48-T53 VanDerWaalsContact N-CG2 3.29Å; E49-T53 WeakPolarHBondContact O-CG2 3.09Å; E49-T53 PolarHBondContact O-N 3.23Å; A50-T53 PolarHBondContact O-OG1 3.28Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.18Å; T53-V100 HydrophobicContact CG2-CG1 3.98Å |
| 54 | V | 96 | Very high | 96.4 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 31% | 0.309 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.7 | -46.7 | -179 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | D52 F56 A57 E58 | D52-V54 PolarHBondContact O-N 3.11Å; V54-F56 PolarHBondContact O-N 3.42Å; V54-A57 PolarHBondContact O-N 2.86Å; V54-E58 HydrophobicContact CG1-CG 4.36Å; V54-E58 WeakPolarHBondContact O-CB 3.44Å; V54-E58 WeakPolarHBondContact O-CG 3.17Å; V54-E58 PolarHBondContact O-N 2.75Å |
| 55 | Q | 97 | Very high | 96.4 | Very high | 118 Ų | 118 | 44.5 Ų | 44.5 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.7 | -45.5 | -177.6 | -70.6 | -67.9 | 98 | 0 | 0 | 111.9 | G51 D52 Y59 | G51-Q55 WeakPolarHBondContact O-CB 3.39Å; G51-Q55 WeakPolarHBondContact O-CG 3.41Å; G51-Q55 PolarHBondContact O-N 3.39Å; D52-Q55 PolarHBondContact O-N 3.33Å; Q55-Y59 VanDerWaalsContact O-CB 3.25Å; Q55-Y59 WeakPolarHBondContact O-CB 3.38Å; Q55-Y59 PolarHBondContact O-N 2.95Å |
| 56 | F | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.8 | -44.6 | 179.4 | -173.2 | -101.2 | 0 | 0 | 0 | 111.6 | D52 V54 E58 Y59 I60 T84 N87 L88 Y98 V100 L102 | D52-F56 WeakPolarHBondContact O-CB 3.45Å; D52-F56 PolarHBondContact O-N 3.25Å; V54-F56 PolarHBondContact O-N 3.42Å; F56-E58 PolarHBondContact O-N 2.96Å; F56-Y59 WeakPolarHBondContact O-CB 3.22Å; F56-Y59 PolarHBondContact O-N 2.92Å; F56-I60 HydrophobicContact CD1-CG1 4.18Å; F56-I60 HydrophobicContact CE1-CD1 4.33Å; F56-I60 HydrophobicContact CE1-CG1 3.75Å; F56-I60 HydrophobicContact CE2-CD1 4.28Å; F56-I60 HydrophobicContact CE2-CG1 4.28Å; F56-I60 HydrophobicContact CZ-CD1 3.9Å; F56-I60 HydrophobicContact CZ-CG1 3.82Å; F56-I60 WeakPolarHBondContact O-CG1 3.16Å; F56-I60 PolarHBondContact O-N 3.08Å; F56-T84 HydrophobicContact CE1-CG2 3.83Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; F56-N87 HydrophobicContact CE2-CB 4.27Å; F56-N87 HydrophobicContact CZ-CB 4.42Å; F56-L88 HydrophobicContact CE1-CD1 4.33Å; F56-L88 HydrophobicContact CE2-CB 4.43Å; F56-L88 HydrophobicContact CE2-CD1 4.19Å; F56-L88 HydrophobicContact CZ-CB 3.88Å; F56-L88 HydrophobicContact CZ-CD1 4Å; F56-L88 HydrophobicContact CZ-CG 4.48Å; F56-Y98 HydrophobicContact CB-CD1 4.1Å; F56-Y98 HydrophobicContact CB-CE1 4.31Å; F56-Y98 HydrophobicContact CB-CG 4.23Å; F56-Y98 HydrophobicContact CD2-CD1 4.42Å; F56-Y98 AromaticContact CD2-CD2 3.42Å; F56-Y98 HydrophobicContact CD2-CD2 3.42Å; F56-Y98 VanDerWaalsContact CD2-CD2 3.42Å; F56-Y98 AromaticContact CD2-CE2 3.69Å; F56-Y98 HydrophobicContact CD2-CE2 3.69Å; F56-Y98 AromaticContact CD2-CG 3.83Å; F56-Y98 HydrophobicContact CD2-CG 3.83Å; F56-Y98 AromaticContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CE2 4.35Å; F56-Y98 HydrophobicContact CG-CD2 4.32Å; F56-Y98 HydrophobicContact CG-CG 4.29Å; F56-V100 HydrophobicContact CD1-CG2 3.84Å; F56-V100 HydrophobicContact CE1-CG2 4.28Å; F56-V100 HydrophobicContact CG-CG2 4.24Å; F56-L102 HydrophobicContact CD1-CD1 4.24Å; F56-L102 HydrophobicContact CD1-CD2 4.48Å; F56-L102 HydrophobicContact CE1-CD1 3.65Å |
| 57 | A | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F36 L44 C46 T53 V54 I60 Q61 | F36-A57 HydrophobicContact CB-CB 4.46Å; F36-A57 HydrophobicContact CD1-CB 3.88Å; F36-A57 HydrophobicContact CD2-CB 3.45Å; F36-A57 VanDerWaalsContact CD2-CB 3.45Å; F36-A57 HydrophobicContact CE1-CB 3.89Å; F36-A57 HydrophobicContact CE2-CB 3.48Å; F36-A57 VanDerWaalsContact CE2-CB 3.48Å; F36-A57 HydrophobicContact CG-CB 3.67Å; F36-A57 HydrophobicContact CZ-CB 3.7Å; L44-A57 HydrophobicContact CD2-CB 4.22Å; C46-A57 HydrophobicContact CB-CB 4.28Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.18Å; V54-A57 PolarHBondContact O-N 2.86Å; A57-I60 PolarHBondContact O-N 3.02Å; A57-Q61 VanDerWaalsContact O-CB 3.32Å; A57-Q61 WeakPolarHBondContact O-CB 3.28Å; A57-Q61 PolarHBondContact O-N 2.83Å |
| 58 | E | 97.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.8 | -75.7 | -166.7 | -164.5 | 0 | 0 | 112.7 | V54 F56 I60 Q61 K62 | V54-E58 HydrophobicContact CG1-CG 4.36Å; V54-E58 WeakPolarHBondContact O-CB 3.44Å; V54-E58 WeakPolarHBondContact O-CG 3.17Å; V54-E58 PolarHBondContact O-N 2.75Å; F56-E58 PolarHBondContact O-N 2.96Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-Q61 PolarHBondContact O-N 2.86Å; E58-K62 WeakPolarHBondContact O-CB 3.26Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 2.8Å; E58-K62 IonicContact OE2-NZ 3.3Å; E58-K62 PolarHBondContact OE2-NZ 3.04Å |
| 59 | Y | 97.8 | Very high | 96.4 | Very high | 79 Ų | 79 | 59.5 Ų | 59.5 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.4 | 170.1 | -98 | 0 | 0 | 0 | 110.9 | Q55 F56 N63 N87 | Q55-Y59 VanDerWaalsContact O-CB 3.25Å; Q55-Y59 WeakPolarHBondContact O-CB 3.38Å; Q55-Y59 PolarHBondContact O-N 2.95Å; F56-Y59 WeakPolarHBondContact O-CB 3.22Å; F56-Y59 PolarHBondContact O-N 2.92Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.36Å; Y59-N63 PolarHBondContact O-ND2 3.03Å; Y59-N87 HydrophobicContact CE1-CB 4.27Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.37Å; Y59-N87 PolarHBondContact OH-OD1 2.69Å |
| 60 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 177.4 | -65 | -60.2 | 0 | 0 | 0 | 110.9 | L38 L44 F56 A57 E58 K62 N63 I64 F83 T84 N87 | L38-I60 HydrophobicContact CD1-CG2 4.24Å; L38-I60 HydrophobicContact CD2-CG2 4.06Å; L44-I60 HydrophobicContact CD2-CB 4.47Å; L44-I60 HydrophobicContact CD2-CG2 4.33Å; F56-I60 HydrophobicContact CD1-CG1 4.18Å; F56-I60 HydrophobicContact CE1-CD1 4.33Å; F56-I60 HydrophobicContact CE1-CG1 3.75Å; F56-I60 HydrophobicContact CE2-CD1 4.28Å; F56-I60 HydrophobicContact CE2-CG1 4.28Å; F56-I60 HydrophobicContact CZ-CD1 3.9Å; F56-I60 HydrophobicContact CZ-CG1 3.82Å; F56-I60 WeakPolarHBondContact O-CG1 3.16Å; F56-I60 PolarHBondContact O-N 3.08Å; A57-I60 PolarHBondContact O-N 3.02Å; E58-I60 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 2.62Å; I60-N63 PolarHBondContact O-N 3.12Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.48Å; I60-F83 HydrophobicContact CD1-CD1 4.23Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; I60-T84 HydrophobicContact CD1-CG2 4.38Å; I60-T84 HydrophobicContact CG1-CG2 4.24Å; I60-T84 WeakPolarHBondContact CG2-OG1 3.3Å; I60-N87 HydrophobicContact CD1-CB 4.01Å |
| 61 | Q | 97.7 | Very high | 96.8 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 25% | 0.252 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.5 | -50.7 | 178.6 | -173.8 | -177.7 | 25.4 | 0 | 0 | 112 | K37 L38 A57 E58 N63 I64 Q65 | K37-Q61 WeakPolarHBondContact O-CG 3.27Å; K37-Q61 PolarHBondContact O-NE2 3.09Å; L38-Q61 HydrophobicContact CD2-CB 3.82Å; L38-Q61 HydrophobicContact CD2-CG 4.29Å; A57-Q61 VanDerWaalsContact O-CB 3.32Å; A57-Q61 WeakPolarHBondContact O-CB 3.28Å; A57-Q61 PolarHBondContact O-N 2.83Å; E58-Q61 PolarHBondContact O-N 2.86Å; Q61-N63 VanDerWaalsContact C-N 3.34Å; Q61-N63 PolarHBondContact O-N 3.4Å; Q61-I64 PolarHBondContact O-N 3.37Å; Q61-Q65 WeakPolarHBondContact O-CB 3.37Å; Q61-Q65 WeakPolarHBondContact O-CG 3.38Å; Q61-Q65 PolarHBondContact O-N 3.31Å |
| 62 | K | 97.8 | Very high | 96.9 | Very high | 125 Ų | 125 | 63.4 Ų | 63.4 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | -178.3 | -70.7 | 167.3 | -171.9 | 162.1 | 0 | 111.9 | E58 I60 L66 | E58-K62 WeakPolarHBondContact O-CB 3.26Å; E58-K62 VanDerWaalsContact O-CG 3.26Å; E58-K62 WeakPolarHBondContact O-CG 3.49Å; E58-K62 PolarHBondContact O-N 2.8Å; E58-K62 IonicContact OE2-NZ 3.3Å; E58-K62 PolarHBondContact OE2-NZ 3.04Å; I60-K62 PolarHBondContact O-N 2.62Å; K62-L66 VanDerWaalsContact O-CB 3.28Å; K62-L66 WeakPolarHBondContact O-CB 3.29Å; K62-L66 PolarHBondContact O-N 2.74Å |
| 63 | N | 97.8 | Very high | 96.7 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 177.6 | -81.3 | -78.7 | 0 | 0 | 0 | 112.9 | Y59 I60 Q61 L66 Y67 F83 | Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.36Å; Y59-N63 PolarHBondContact O-ND2 3.03Å; I60-N63 PolarHBondContact O-N 3.12Å; Q61-N63 VanDerWaalsContact C-N 3.34Å; Q61-N63 PolarHBondContact O-N 3.4Å; N63-L66 PolarHBondContact O-N 3.12Å; N63-Y67 PolarHBondContact O-N 3.28Å; N63-F83 HydrophobicContact CB-CE1 3.85Å; N63-F83 HydrophobicContact CB-CZ 3.71Å |
| 64 | I | 97 | Very high | 96.5 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -42.2 | 177 | -68.7 | 174.3 | 0 | 0 | 0 | 110.8 | L38 I60 Q61 Y67 K68 L75 A80 F83 | L38-I64 HydrophobicContact CB-CD1 4.05Å; L38-I64 HydrophobicContact CB-CG2 4.38Å; L38-I64 HydrophobicContact CD1-CD1 3.63Å; L38-I64 HydrophobicContact CD2-CD1 4.33Å; L38-I64 HydrophobicContact CG-CD1 4.22Å; L38-I64 WeakPolarHBondContact O-CG2 3.06Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.42Å; I60-I64 WeakPolarHBondContact O-CG1 3.44Å; I60-I64 PolarHBondContact O-N 3.48Å; Q61-I64 PolarHBondContact O-N 3.37Å; I64-Y67 WeakPolarHBondContact O-CB 3.42Å; I64-Y67 PolarHBondContact O-N 2.95Å; I64-K68 PolarHBondContact O-N 2.94Å; I64-L75 HydrophobicContact CG1-CD1 4.15Å; I64-L75 HydrophobicContact CG2-CD1 4.39Å; I64-A80 HydrophobicContact CD1-CB 4Å; I64-F83 HydrophobicContact CG1-CD1 4.3Å; I64-F83 HydrophobicContact CG1-CE1 4.48Å |
| 65 | Q | 96.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 68.7 Ų | 68.7 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.8 | -71.3 | -65.8 | -25.9 | 0 | 0 | 111.9 | L38 Q61 Y67 K68 M69 | L38-Q65 PolarHBondContact O-NE2 3.3Å; Q61-Q65 WeakPolarHBondContact O-CB 3.37Å; Q61-Q65 WeakPolarHBondContact O-CG 3.38Å; Q61-Q65 PolarHBondContact O-N 3.31Å; Q65-Y67 VanDerWaalsContact C-N 3.3Å; Q65-Y67 PolarHBondContact O-N 2.97Å; Q65-K68 WeakPolarHBondContact O-CB 3.2Å; Q65-K68 PolarHBondContact O-N 2.9Å; Q65-M69 WeakPolarHBondContact O-CG 3.39Å; Q65-M69 PolarHBondContact O-N 3.25Å |
| 66 | L | 97.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 173.7 | 178.5 | 61.7 | 0 | 0 | 0 | 111.9 | K62 N63 M69 R70 | K62-L66 VanDerWaalsContact O-CB 3.28Å; K62-L66 WeakPolarHBondContact O-CB 3.29Å; K62-L66 PolarHBondContact O-N 2.74Å; N63-L66 PolarHBondContact O-N 3.12Å; L66-M69 PolarHBondContact O-N 2.93Å; L66-R70 WeakPolarHBondContact O-CB 2.95Å; L66-R70 PolarHBondContact O-N 3.32Å |
| 67 | Y | 97.1 | Very high | 96.4 | Very high | 76 Ų | 76 | 65.1 Ų | 65.1 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.2 | -175.4 | -81.7 | 0 | 0 | 0 | 111.4 | N63 I64 Q65 M69 R70 N71 Y73 L75 | N63-Y67 PolarHBondContact O-N 3.28Å; I64-Y67 WeakPolarHBondContact O-CB 3.42Å; I64-Y67 PolarHBondContact O-N 2.95Å; Q65-Y67 VanDerWaalsContact C-N 3.3Å; Q65-Y67 PolarHBondContact O-N 2.97Å; Y67-M69 PolarHBondContact O-N 2.85Å; Y67-R70 PolarHBondContact O-N 2.82Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.35Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.28Å; Y67-N71 HydrophobicContact CE1-CB 4.29Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.33Å; Y67-N71 PolarHBondContact O-N 3.02Å; Y67-N71 PolarHBondContact O-ND2 2.93Å; Y67-Y73 HydrophobicContact CE1-CD2 4.32Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 PolarHBondContact OH-OH 3.01Å; Y67-L75 HydrophobicContact CD1-CD1 4.19Å; Y67-L75 HydrophobicContact CD1-CD2 3.69Å; Y67-L75 HydrophobicContact CD1-CG 3.58Å; Y67-L75 HydrophobicContact CD2-CD2 4.36Å; Y67-L75 HydrophobicContact CE1-CD2 3.33Å; Y67-L75 HydrophobicContact CE1-CG 3.74Å; Y67-L75 HydrophobicContact CE2-CD2 4.05Å; Y67-L75 HydrophobicContact CG-CD1 4.19Å; Y67-L75 HydrophobicContact CG-CD2 4.19Å; Y67-L75 HydrophobicContact CG-CG 4.08Å |
| 68 | K | 95.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 175.8 | -177.1 | -176.4 | -178 | 172.6 | 0 | 111.3 | D40 I64 Q65 R70 G72 Y73 E74 | D40-K68 IonicContact OD2-NZ 2.77Å; D40-K68 PolarHBondContact OD2-NZ 3.22Å; I64-K68 PolarHBondContact O-N 2.94Å; Q65-K68 WeakPolarHBondContact O-CB 3.2Å; Q65-K68 PolarHBondContact O-N 2.9Å; K68-R70 VanDerWaalsContact C-N 3.33Å; K68-R70 PolarHBondContact O-N 2.95Å; K68-G72 WeakPolarHBondContact O-CA 3.4Å; K68-G72 PolarHBondContact O-N 3.27Å; K68-Y73 WeakPolarHBondContact CA-O 3.4Å; K68-E74 HydrophobicContact CD-CG 3.83Å; K68-E74 VanDerWaalsContact CE-OE1 3.28Å; K68-E74 WeakPolarHBondContact CE-OE1 3.39Å; K68-E74 HydrophobicContact CG-CG 4.16Å; K68-E74 IonicContact NZ-OE1 2.83Å; K68-E74 PolarHBondContact NZ-OE1 3.48Å |
| 69 | M | 96.4 | Very high | 96.3 | Very high | 149 Ų | 149 | 69.2 Ų | 69.2 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.5 | -36.7 | 179.6 | -68 | 176.5 | -177.6 | 0 | 0 | 113 | Q65 L66 Y67 | Q65-M69 WeakPolarHBondContact O-CG 3.39Å; Q65-M69 PolarHBondContact O-N 3.25Å; L66-M69 PolarHBondContact O-N 2.93Å; Y67-M69 PolarHBondContact O-N 2.85Å |
| 70 | R | 97.5 | Very high | 96.3 | Very high | 184 Ų | 184 | 65.5 Ų | 65.5 | 69% | 0.694 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.5 | -39.4 | -178 | -174.3 | 178.4 | -61.2 | 177.6 | 1.9 | 113 | L66 Y67 K68 | L66-R70 WeakPolarHBondContact O-CB 2.95Å; L66-R70 PolarHBondContact O-N 3.32Å; Y67-R70 PolarHBondContact O-N 2.82Å; K68-R70 VanDerWaalsContact C-N 3.33Å; K68-R70 PolarHBondContact O-N 2.95Å |
| 71 | N | 96.4 | Very high | 96.3 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -103 | -15.8 | -171.6 | -58.7 | -75.4 | 0 | 0 | 0 | 113.7 | Y67 Y73 | Y67-N71 VanDerWaalsContact CD2-ND2 3.35Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.28Å; Y67-N71 HydrophobicContact CE1-CB 4.29Å; Y67-N71 VanDerWaalsContact CE2-ND2 3.34Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.33Å; Y67-N71 PolarHBondContact O-N 3.02Å; Y67-N71 PolarHBondContact O-ND2 2.93Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 3.87Å; N71-Y73 HydrophobicContact CB-CE1 3.56Å; N71-Y73 WeakPolarHBondContact O-CD1 3.48Å |
| 72 | G | 93.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 66 Ų | 66 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 80.3 | 6.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | K68 | K68-G72 WeakPolarHBondContact O-CA 3.4Å; K68-G72 PolarHBondContact O-N 3.27Å |
| 73 | Y | 92.3 | Very high | 96.3 | Very high | 132 Ų | 132 | 63.1 Ų | 63.1 | 52% | 0.518 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -141.1 | 156.2 | 177 | 64.1 | -93.1 | 0 | 0 | 0 | 111.9 | Y67 K68 N71 | Y67-Y73 HydrophobicContact CE1-CD2 4.32Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 PolarHBondContact OH-OH 3.01Å; K68-Y73 WeakPolarHBondContact CA-O 3.4Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 3.87Å; N71-Y73 HydrophobicContact CB-CE1 3.56Å; N71-Y73 WeakPolarHBondContact O-CD1 3.48Å |
| 74 | E | 92.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 150 | 179.3 | -57.8 | -158.5 | 149.9 | 0 | 0 | 112.3 | S39 D40 K68 | S39-E74 PolarHBondContact OG-OE1 3.27Å; S39-E74 VanDerWaalsContact OG-OE1 3.09Å; S39-E74 PolarHBondContact OG-OE2 2.88Å; D40-E74 WeakPolarHBondContact CB-OE1 3.02Å; D40-E74 PolarHBondContact N-OE1 2.98Å; D40-E74 PolarHBondContact N-OE2 3.03Å; K68-E74 HydrophobicContact CD-CG 3.83Å; K68-E74 VanDerWaalsContact CE-OE1 3.28Å; K68-E74 WeakPolarHBondContact CE-OE1 3.39Å; K68-E74 HydrophobicContact CG-CG 4.16Å; K68-E74 IonicContact NZ-OE1 2.83Å; K68-E74 PolarHBondContact NZ-OE1 3.48Å |
| 75 | L | 94.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 146.2 | 168.9 | -71.9 | 171.9 | 0 | 0 | 0 | 109.9 | I42 I64 Y67 A79 | I42-L75 WeakPolarHBondContact CD1-O 3.1Å; I64-L75 HydrophobicContact CG1-CD1 4.15Å; I64-L75 HydrophobicContact CG2-CD1 4.39Å; Y67-L75 HydrophobicContact CD1-CD1 4.19Å; Y67-L75 HydrophobicContact CD1-CD2 3.69Å; Y67-L75 HydrophobicContact CD1-CG 3.58Å; Y67-L75 HydrophobicContact CD2-CD2 4.36Å; Y67-L75 HydrophobicContact CE1-CD2 3.33Å; Y67-L75 HydrophobicContact CE1-CG 3.74Å; Y67-L75 HydrophobicContact CE2-CD2 4.05Å; Y67-L75 HydrophobicContact CG-CD1 4.19Å; Y67-L75 HydrophobicContact CG-CD2 4.19Å; Y67-L75 HydrophobicContact CG-CG 4.08Å; L75-A79 HydrophobicContact CB-CB 4.33Å; L75-A79 HydrophobicContact CD2-CB 4.07Å |
| 76 | S | 96 | Very high | 96.4 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 154.3 | 166.8 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | K78 A79 A80 D108 | S76-K78 PolarHBondContact O-N 3.02Å; S76-K78 VanDerWaalsContact O-N 3.16Å; S76-A79 PolarHBondContact O-N 2.84Å; S76-A79 WeakPolarHBondContact OG-CB 3.47Å; S76-A79 PolarHBondContact OG-N 3.37Å; S76-A80 PolarHBondContact O-N 3.07Å; S76-D108 VanDerWaalsContact CB-OD2 3.28Å; S76-D108 WeakPolarHBondContact CB-OD2 3.48Å |
| 77 | P | 96.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.5 | -36.9 | 175.3 | -25.1 | 33.7 | 0 | 0 | 0 | 112.6 | I42 A80 A81 L104 D108 Y116 | I42-P77 HydrophobicContact CD1-CG 4.3Å; I42-P77 HydrophobicContact CG1-CG 4.14Å; P77-A80 PolarHBondContact O-N 3.39Å; P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.22Å; P77-A81 PolarHBondContact O-N 3.38Å; P77-L104 HydrophobicContact CB-CD2 4.32Å; P77-D108 HydrophobicContact CG-CB 4.25Å; P77-Y116 HydrophobicContact CB-CE2 3.95Å |
| 78 | K | 97.1 | Very high | 96.3 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.7 | -172.9 | 178.4 | 178.7 | 179.9 | 0 | 112.4 | S76 N82 Y116 | S76-K78 PolarHBondContact O-N 3.02Å; S76-K78 VanDerWaalsContact O-N 3.16Å; K78-N82 PolarHBondContact O-N 3.28Å; K78-N82 VanDerWaalsContact O-N 3.11Å; K78-N82 PolarHBondContact O-ND2 3Å; K78-Y116 WeakPolarHBondContact CA-OH 3.48Å; K78-Y116 WeakPolarHBondContact CB-OH 3.48Å |
| 79 | A | 96.9 | Very high | 96.4 | Very high | 38 Ų | 38 | 60.8 Ų | 60.8 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L75 S76 A81 N82 F83 | L75-A79 HydrophobicContact CB-CB 4.33Å; L75-A79 HydrophobicContact CD2-CB 4.07Å; S76-A79 PolarHBondContact O-N 2.84Å; S76-A79 WeakPolarHBondContact OG-CB 3.47Å; S76-A79 PolarHBondContact OG-N 3.37Å; A79-A81 PolarHBondContact O-N 2.94Å; A79-N82 PolarHBondContact O-N 2.95Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 3.34Å |
| 80 | A | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I42 I64 S76 P77 N82 F83 T84 L104 | I42-A80 HydrophobicContact CD1-CB 3.97Å; I42-A80 HydrophobicContact CG2-CB 4.41Å; I64-A80 HydrophobicContact CD1-CB 4Å; S76-A80 PolarHBondContact O-N 3.07Å; P77-A80 PolarHBondContact O-N 3.39Å; A80-N82 PolarHBondContact O-N 2.95Å; A80-F83 PolarHBondContact O-N 2.83Å; A80-T84 WeakPolarHBondContact O-CB 3.41Å; A80-T84 PolarHBondContact O-N 3.15Å; A80-T84 PolarHBondContact O-OG1 2.94Å; A80-L104 HydrophobicContact CB-CD1 4.03Å |
| 81 | A | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P77 A79 T84 R85 L104 Y116 L124 | P77-A81 VanDerWaalsContact O-CB 3.3Å; P77-A81 WeakPolarHBondContact O-CB 3.22Å; P77-A81 PolarHBondContact O-N 3.38Å; A79-A81 PolarHBondContact O-N 2.94Å; A81-T84 PolarHBondContact O-N 3.21Å; A81-R85 WeakPolarHBondContact O-CB 3.42Å; A81-R85 PolarHBondContact O-N 3.04Å; A81-L104 HydrophobicContact CB-CD1 4.29Å; A81-L104 HydrophobicContact CB-CD2 4.35Å; A81-Y116 HydrophobicContact CB-CD1 3.92Å; A81-Y116 HydrophobicContact CB-CD2 3.99Å; A81-Y116 HydrophobicContact CB-CE1 4.38Å; A81-Y116 HydrophobicContact CB-CE2 4.45Å; A81-Y116 HydrophobicContact CB-CG 3.71Å; A81-L124 HydrophobicContact CB-CD1 4.02Å; A81-L124 HydrophobicContact CB-CD2 4.22Å |
| 82 | N | 98 | Very high | 96.2 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 177.6 | -79.6 | -75 | 0 | 0 | 0 | 113 | K78 A79 A80 K86 | K78-N82 PolarHBondContact O-N 3.28Å; K78-N82 VanDerWaalsContact O-N 3.11Å; K78-N82 PolarHBondContact O-ND2 3Å; A79-N82 PolarHBondContact O-N 2.95Å; A80-N82 PolarHBondContact O-N 2.95Å; N82-K86 WeakPolarHBondContact O-CB 3.33Å; N82-K86 PolarHBondContact O-N 3.45Å |
| 83 | F | 98 | Very high | 96.2 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 29% | 0.285 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 173.2 | 174.8 | -100.9 | 0 | 0 | 0 | 111.2 | I60 N63 I64 A79 A80 R85 K86 N87 | I60-F83 HydrophobicContact CD1-CD1 4.23Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; N63-F83 HydrophobicContact CB-CE1 3.85Å; N63-F83 HydrophobicContact CB-CZ 3.71Å; I64-F83 HydrophobicContact CG1-CD1 4.3Å; I64-F83 HydrophobicContact CG1-CE1 4.48Å; A79-F83 WeakPolarHBondContact O-CB 3.47Å; A79-F83 PolarHBondContact O-N 3.34Å; A80-F83 PolarHBondContact O-N 2.83Å; F83-R85 PolarHBondContact O-N 3.19Å; F83-K86 PolarHBondContact O-N 3.46Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.35Å; F83-N87 VanDerWaalsContact CE2-ND2 3.32Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.45Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.49Å; F83-N87 PolarHBondContact O-N 3.09Å; F83-N87 VanDerWaalsContact O-N 3.11Å; F83-N87 PolarHBondContact O-ND2 2.8Å |
| 84 | T | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | F56 I60 A80 A81 K86 N87 L88 L102 M118 | F56-T84 HydrophobicContact CE1-CG2 3.83Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; I60-T84 HydrophobicContact CD1-CG2 4.38Å; I60-T84 HydrophobicContact CG1-CG2 4.24Å; I60-T84 WeakPolarHBondContact CG2-OG1 3.3Å; A80-T84 WeakPolarHBondContact O-CB 3.41Å; A80-T84 PolarHBondContact O-N 3.15Å; A80-T84 PolarHBondContact O-OG1 2.94Å; A81-T84 PolarHBondContact O-N 3.21Å; T84-K86 VanDerWaalsContact C-N 3.32Å; T84-K86 PolarHBondContact O-N 3.45Å; T84-N87 PolarHBondContact O-N 3.41Å; T84-L88 PolarHBondContact O-N 2.84Å; T84-L102 HydrophobicContact CG2-CD1 3.68Å; T84-M118 HydrophobicContact CG2-CE 3.81Å; T84-M118 HydrophobicContact CG2-SD 4.2Å |
| 85 | R | 97.9 | Very high | 96.3 | Very high | 91 Ų | 91 | 65.7 Ų | 65.7 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 176.6 | -170.8 | -167.4 | 68.8 | 76.4 | -1.9 | 112.2 | A81 F83 L88 A89 M118 S122 L124 | A81-R85 WeakPolarHBondContact O-CB 3.42Å; A81-R85 PolarHBondContact O-N 3.04Å; F83-R85 PolarHBondContact O-N 3.19Å; R85-L88 PolarHBondContact O-N 2.8Å; R85-A89 VanDerWaalsContact O-CB 3.31Å; R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 2.84Å; R85-M118 HydrophobicContact CB-SD 3.65Å; R85-M118 HydrophobicContact CG-SD 4.27Å; R85-S122 WeakPolarHBondContact CD-O 3.44Å; R85-S122 WeakPolarHBondContact CG-O 2.87Å; R85-L124 HydrophobicContact CB-CB 4.46Å; R85-L124 HydrophobicContact CB-CD2 4.43Å; R85-L124 HydrophobicContact CG-CB 4Å |
| 86 | K | 97.5 | Very high | 96.2 | Very high | 125 Ų | 125 | 68.9 Ų | 68.9 | 54% | 0.543 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -49.7 | 179.9 | -178.8 | -178.2 | 175.2 | -174.7 | 0 | 110.9 | N82 F83 T84 L88 A89 D90 | N82-K86 WeakPolarHBondContact O-CB 3.33Å; N82-K86 PolarHBondContact O-N 3.45Å; F83-K86 PolarHBondContact O-N 3.46Å; T84-K86 VanDerWaalsContact C-N 3.32Å; T84-K86 PolarHBondContact O-N 3.45Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.34Å; K86-A89 PolarHBondContact O-N 2.92Å; K86-D90 WeakPolarHBondContact O-CB 3.13Å; K86-D90 VanDerWaalsContact O-CG 3.22Å; K86-D90 PolarHBondContact O-N 3.23Å |
| 87 | N | 96.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 69.1 Ų | 69.1 | 9% | 0.086 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 178.4 | -74.2 | -80.7 | 0 | 0 | 0 | 111.1 | F56 Y59 I60 F83 T84 A89 D90 Y91 | F56-N87 HydrophobicContact CE2-CB 4.27Å; F56-N87 HydrophobicContact CZ-CB 4.42Å; Y59-N87 HydrophobicContact CE1-CB 4.27Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.37Å; Y59-N87 PolarHBondContact OH-OD1 2.69Å; I60-N87 HydrophobicContact CD1-CB 4.01Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.35Å; F83-N87 VanDerWaalsContact CE2-ND2 3.32Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.45Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.49Å; F83-N87 PolarHBondContact O-N 3.09Å; F83-N87 VanDerWaalsContact O-N 3.11Å; F83-N87 PolarHBondContact O-ND2 2.8Å; T84-N87 PolarHBondContact O-N 3.41Å; N87-A89 VanDerWaalsContact C-N 3.28Å; N87-A89 PolarHBondContact O-N 2.98Å; N87-D90 PolarHBondContact O-N 3.36Å; N87-Y91 VanDerWaalsContact O-CD2 3.27Å; N87-Y91 WeakPolarHBondContact O-CD2 3.38Å; N87-Y91 PolarHBondContact O-N 3.18Å |
| 88 | L | 96.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.1 | -42 | 177.2 | -166.5 | 60.5 | 0 | 0 | 0 | 111.5 | F56 T84 R85 K86 Y91 L92 V100 L102 D119 S122 | F56-L88 HydrophobicContact CE1-CD1 4.33Å; F56-L88 HydrophobicContact CE2-CB 4.43Å; F56-L88 HydrophobicContact CE2-CD1 4.19Å; F56-L88 HydrophobicContact CZ-CB 3.88Å; F56-L88 HydrophobicContact CZ-CD1 4Å; F56-L88 HydrophobicContact CZ-CG 4.48Å; T84-L88 PolarHBondContact O-N 2.84Å; R85-L88 PolarHBondContact O-N 2.8Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.34Å; L88-Y91 PolarHBondContact O-N 2.83Å; L88-L92 WeakPolarHBondContact O-CB 3.15Å; L88-L92 PolarHBondContact O-N 2.69Å; L88-V100 HydrophobicContact CD1-CG2 3.6Å; L88-V100 HydrophobicContact CD2-CG2 4.43Å; L88-L102 HydrophobicContact CD2-CD1 4.17Å; L88-D119 WeakPolarHBondContact CD2-O 3.17Å; L88-S122 WeakPolarHBondContact CB-OG 2.94Å; L88-S122 VanDerWaalsContact CG-OG 3.27Å; L88-S122 WeakPolarHBondContact CG-OG 3.49Å; L88-S122 PolarHBondContact O-OG 3.32Å |
| 89 | A | 97.1 | Very high | 96.1 | Very high | 34 Ų | 34 | 70 Ų | 70 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.8 | -37.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | R85 K86 N87 Y91 L92 S122 | R85-A89 VanDerWaalsContact O-CB 3.31Å; R85-A89 WeakPolarHBondContact O-CB 3.42Å; R85-A89 PolarHBondContact O-N 2.84Å; K86-A89 PolarHBondContact O-N 2.92Å; N87-A89 VanDerWaalsContact C-N 3.28Å; N87-A89 PolarHBondContact O-N 2.98Å; A89-Y91 VanDerWaalsContact C-N 3.34Å; A89-L92 WeakPolarHBondContact O-CB 3.48Å; A89-L92 PolarHBondContact O-N 3.19Å; A89-S122 VanDerWaalsContact CA-OG 3.25Å; A89-S122 WeakPolarHBondContact CA-OG 2.89Å; A89-S122 PolarHBondContact N-OG 3.2Å |
| 90 | D | 95.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 54% | 0.54 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 177.4 | -70.1 | -19.7 | 0 | 0 | 0 | 110.4 | K86 N87 | K86-D90 WeakPolarHBondContact O-CB 3.13Å; K86-D90 VanDerWaalsContact O-CG 3.22Å; K86-D90 PolarHBondContact O-N 3.23Å; N87-D90 PolarHBondContact O-N 3.36Å |
| 91 | Y | 95.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 70 Ų | 70 | 28% | 0.282 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -76.3 | -25.8 | 175.9 | -79.9 | -80.7 | 0 | 0 | 0 | 113.7 | N87 L88 A89 R93 S94 P97 Y98 | N87-Y91 VanDerWaalsContact O-CD2 3.27Å; N87-Y91 WeakPolarHBondContact O-CD2 3.38Å; N87-Y91 PolarHBondContact O-N 3.18Å; L88-Y91 PolarHBondContact O-N 2.83Å; A89-Y91 VanDerWaalsContact C-N 3.34Å; Y91-R93 PolarHBondContact O-N 3.41Å; Y91-R93 VanDerWaalsContact O-N 3.15Å; Y91-S94 VanDerWaalsContact O-CB 3.25Å; Y91-S94 WeakPolarHBondContact O-CB 3.42Å; Y91-S94 PolarHBondContact O-N 2.7Å; Y91-S94 PolarHBondContact O-OG 2.77Å; Y91-P97 WeakPolarHBondContact O-CA 3.35Å; Y91-Y98 HydrophobicContact CD1-CD2 4.19Å; Y91-Y98 AromaticContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD2-CD2 4.04Å; Y91-Y98 AromaticContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CE1-CE2 4.04Å; Y91-Y98 HydrophobicContact CE2-CE2 4.05Å; Y91-Y98 AromaticContact CG-CD2 3.72Å; Y91-Y98 HydrophobicContact CG-CD2 3.72Å; Y91-Y98 AromaticContact CG-CE2 3.57Å; Y91-Y98 HydrophobicContact CG-CE2 3.57Å |
| 92 | L | 94.6 | Very high | 96 | Very high | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.293 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.8 | -33.5 | -178 | -178.1 | 61.8 | 0 | 0 | 0 | 113.5 | L88 A89 L121 | L88-L92 WeakPolarHBondContact O-CB 3.15Å; L88-L92 PolarHBondContact O-N 2.69Å; A89-L92 WeakPolarHBondContact O-CB 3.48Å; A89-L92 PolarHBondContact O-N 3.19Å; L92-L121 HydrophobicContact CD1-CD2 4.17Å; L92-L121 HydrophobicContact CD2-CD2 4.45Å |
| 93 | R | 93.4 | Very high | 96.1 | Very high | 239 Ų | 239 | 66.9 Ų | 66.9 | 90% | 0.902 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 10.5 | 177.2 | -63.4 | -172.6 | -178.6 | 150.2 | 0.9 | 113.7 | Y91 | Y91-R93 PolarHBondContact O-N 3.41Å; Y91-R93 VanDerWaalsContact O-N 3.15Å |
| 94 | S | 94.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 63.8 Ų | 63.8 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -82.7 | 179.1 | 176.1 | 81.9 | 0 | 0 | 0 | 0 | 111.5 | Y91 T96 | Y91-S94 VanDerWaalsContact O-CB 3.25Å; Y91-S94 WeakPolarHBondContact O-CB 3.42Å; Y91-S94 PolarHBondContact O-N 2.7Å; Y91-S94 PolarHBondContact O-OG 2.77Å; S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.8Å; S94-T96 VanDerWaalsContact OG-N 3.16Å; S94-T96 PolarHBondContact OG-O 3.21Å |
| 95 | R | 92.9 | Very high | 96.1 | Very high | 245 Ų | 245 | 63.8 Ų | 63.8 | 93% | 0.925 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -69.6 | -18.8 | 173.5 | -66.5 | -178.3 | 67.8 | 95.2 | 0.6 | 113.2 | ||
| 96 | T | 93.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -132.9 | 74.8 | -175.3 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | S94 | S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 2.8Å; S94-T96 VanDerWaalsContact OG-N 3.16Å; S94-T96 PolarHBondContact OG-O 3.21Å |
| 97 | P | 94.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 26% | 0.26 | 26% | 0.257 | S | S | . | . | trans | -67.9 | 138.5 | 176.5 | 29.7 | -34.4 | 0 | 0 | 0 | 110.4 | Y91 | Y91-P97 WeakPolarHBondContact O-CA 3.35Š| ||
| 98 | Y | 96.7 | Very high | 95.9 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 16% | 0.161 | 26% | 0.261 | C | S | . | . | trans | -80.5 | 122.8 | 172.8 | -70.1 | -66.5 | 0 | 0 | 0 | 110.3 | D52 F56 Y91 V100 | D52-Y98 HydrophobicContact CB-CD1 3.86Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.39Å; F56-Y98 HydrophobicContact CB-CD1 4.1Å; F56-Y98 HydrophobicContact CB-CE1 4.31Å; F56-Y98 HydrophobicContact CB-CG 4.23Å; F56-Y98 HydrophobicContact CD2-CD1 4.42Å; F56-Y98 AromaticContact CD2-CD2 3.42Å; F56-Y98 HydrophobicContact CD2-CD2 3.42Å; F56-Y98 VanDerWaalsContact CD2-CD2 3.42Å; F56-Y98 AromaticContact CD2-CE2 3.69Å; F56-Y98 HydrophobicContact CD2-CE2 3.69Å; F56-Y98 AromaticContact CD2-CG 3.83Å; F56-Y98 HydrophobicContact CD2-CG 3.83Å; F56-Y98 AromaticContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CD2 3.98Å; F56-Y98 HydrophobicContact CE2-CE2 4.35Å; F56-Y98 HydrophobicContact CG-CD2 4.32Å; F56-Y98 HydrophobicContact CG-CG 4.29Å; Y91-Y98 HydrophobicContact CD1-CD2 4.19Å; Y91-Y98 AromaticContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD1-CE2 3.73Å; Y91-Y98 HydrophobicContact CD2-CD2 4.04Å; Y91-Y98 AromaticContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CD2-CE2 3.71Å; Y91-Y98 HydrophobicContact CE1-CE2 4.04Å; Y91-Y98 HydrophobicContact CE2-CE2 4.05Å; Y91-Y98 AromaticContact CG-CD2 3.72Å; Y91-Y98 HydrophobicContact CG-CD2 3.72Å; Y91-Y98 AromaticContact CG-CE2 3.57Å; Y91-Y98 HydrophobicContact CG-CE2 3.57Å; Y98-V100 PolarHBondContact O-N 3.26Å | ||
| 99 | H | 95.4 | Very high | 95.6 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | trans | -94.8 | 71.9 | 176.4 | -71.1 | -72.2 | 0 | 0 | 0 | 111.2 | G48 E49 D52 | G48-H99 WeakPolarHBondContact CA-O 3.37Å; E49-H99 HydrophobicContact CB-CB 4.03Å; E49-H99 PolarHBondContact N-O 2.81Å; D52-H99 PolarHBondContact OD2-N 3.25Å | ||
| 100 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141.9 | -176.8 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | V47 D52 T53 F56 L88 Y98 L102 H120 | V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.28Å; D52-V100 HydrophobicContact CB-CG1 3.78Å; T53-V100 HydrophobicContact CG2-CG1 3.98Å; F56-V100 HydrophobicContact CD1-CG2 3.84Å; F56-V100 HydrophobicContact CE1-CG2 4.28Å; F56-V100 HydrophobicContact CG-CG2 4.24Å; L88-V100 HydrophobicContact CD1-CG2 3.6Å; L88-V100 HydrophobicContact CD2-CG2 4.43Å; Y98-V100 PolarHBondContact O-N 3.26Å; V100-L102 HydrophobicContact CB-CD2 4.26Å; V100-L102 HydrophobicContact CG2-CD1 4.27Å; V100-L102 HydrophobicContact CG2-CD2 4.15Å; V100-L102 HydrophobicContact CG2-CG 4.24Å; V100-H120 WeakPolarHBondContact O-CA 3.09Å; V100-H120 VanDerWaalsContact O-CB 3.3Å; V100-H120 WeakPolarHBondContact O-CB 3.44Å; V100-H120 PolarHBondContact O-N 3.24Å |
| 101 | N | 97.3 | Very high | 95 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.4 | 168.5 | -59.3 | -77.8 | 0 | 0 | 0 | 108.5 | V47 D119 H120 | V47-N101 HydrophobicContact CG2-CB 4.12Å; V47-N101 PolarHBondContact N-O 3.16Å; V47-N101 PolarHBondContact O-N 2.99Å; N101-D119 WeakPolarHBondContact OD1-CA 3.41Å; N101-H120 PolarHBondContact OD1-N 2.89Å; N101-H120 PolarHBondContact OD1-ND1 2.76Å |
| 102 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136 | -161.6 | -53.3 | 167.6 | 0 | 0 | 0 | 110.9 | L44 L45 C46 F56 T84 L88 V100 M118 H132 | L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD2 4.22Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.42Å; C46-L102 HydrophobicContact CB-CD2 3.68Å; C46-L102 WeakPolarHBondContact SG-CD2 3.45Å; F56-L102 HydrophobicContact CD1-CD1 4.24Å; F56-L102 HydrophobicContact CD1-CD2 4.48Å; F56-L102 HydrophobicContact CE1-CD1 3.65Å; T84-L102 HydrophobicContact CG2-CD1 3.68Å; L88-L102 HydrophobicContact CD2-CD1 4.17Å; V100-L102 HydrophobicContact CB-CD2 4.26Å; V100-L102 HydrophobicContact CG2-CD1 4.27Å; V100-L102 HydrophobicContact CG2-CD2 4.15Å; V100-L102 HydrophobicContact CG2-CG 4.24Å; L102-M118 HydrophobicContact CB-CB 4.03Å; L102-M118 HydrophobicContact CD1-CE 4.49Å; L102-M118 PolarHBondContact N-O 3.09Å; L102-M118 PolarHBondContact O-N 3.03Å; L102-H132 PolarHBondContact N-NE2 2.84Å; L102-H132 PolarHBondContact O-NE2 2.98Å; L102-H132 VanDerWaalsContact O-NE2 3.15Å |
| 103 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.1 | 157.4 | -61.4 | -177 | 0 | 0 | 0 | 108.3 | L4 L45 Y116 Y117 A130 | L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.35Å; L4-L103 HydrophobicContact CD1-CG 4.38Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.02Å; L45-L103 WeakPolarHBondContact CD1-O 3.44Å; L45-L103 PolarHBondContact N-O 3.5Å; L45-L103 PolarHBondContact O-N 2.88Å; L103-Y116 WeakPolarHBondContact CA-O 3.29Å; L103-Y117 HydrophobicContact CD2-CD2 3.95Å; L103-A130 HydrophobicContact CD2-CB 3.64Å |
| 104 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.9 | 169.2 | -173 | 156 | 0 | 0 | 0 | 108.3 | L38 I42 L44 P77 A80 A81 Y116 M118 | L38-L104 HydrophobicContact CD1-CD1 3.89Å; L38-L104 HydrophobicContact CD1-CG 4.49Å; I42-L104 HydrophobicContact CG2-CD1 4.37Å; I42-L104 HydrophobicContact CG2-CD2 3.91Å; I42-L104 HydrophobicContact CG2-CG 4.11Å; L44-L104 HydrophobicContact CD1-CB 4.14Å; L44-L104 HydrophobicContact CD1-CD1 4.43Å; P77-L104 HydrophobicContact CB-CD2 4.32Å; A80-L104 HydrophobicContact CB-CD1 4.03Å; A81-L104 HydrophobicContact CB-CD1 4.29Å; A81-L104 HydrophobicContact CB-CD2 4.35Å; L104-Y116 HydrophobicContact CD2-CD2 3.89Å; L104-Y116 PolarHBondContact N-O 2.65Å; L104-Y116 PolarHBondContact O-N 3.2Å; L104-M118 HydrophobicContact CB-CE 4.43Å |
| 105 | A | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V13 V15 L43 G114 L115 I183 | V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.66Å; V15-A105 HydrophobicContact CG1-CB 3.55Å; L43-A105 PolarHBondContact N-O 2.79Å; L43-A105 PolarHBondContact O-N 2.88Å; L43-A105 VanDerWaalsContact O-O 3.1Å; A105-G114 WeakPolarHBondContact CA-O 3.14Å; A105-L115 HydrophobicContact CB-CD1 4.09Å; A105-I183 HydrophobicContact CB-CD1 3.47Å; A105-I183 VanDerWaalsContact CB-CD1 3.47Å |
| 106 | G | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 168.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | K41 G114 | K41-G106 CarbonylContact O-C 3.59Å; K41-G106 WeakPolarHBondContact O-CA 3.43Å; G106-G114 PolarHBondContact N-O 3.22Å; G106-G114 PolarHBondContact O-N 3.04Å |
| 107 | F | 96.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.9 | 175.8 | -171 | -79.7 | 0 | 0 | 0 | 109.6 | D11 K41 P113 I183 T185 | D11-F107 WeakPolarHBondContact O-CD2 3.3Å; D11-F107 WeakPolarHBondContact O-CE2 3.45Å; K41-F107 WeakPolarHBondContact CB-O 3.49Å; K41-F107 PolarHBondContact O-N 3.25Å; F107-P113 HydrophobicContact CD2-CB 4.08Å; F107-P113 HydrophobicContact CE2-CB 4.47Å; F107-I183 HydrophobicContact CB-CG2 3.96Å; F107-T185 HydrophobicContact CD1-CG2 4.21Å; F107-T185 HydrophobicContact CE1-CG2 3.35Å; F107-T185 HydrophobicContact CE2-CG2 4.16Å; F107-T185 HydrophobicContact CZ-CG2 3.32Å |
| 108 | D | 94 | Very high | 96.1 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.6 | 172.5 | -163.8 | -9.9 | 0 | 0 | 0 | 109.6 | S76 P77 T110 D111 G112 | S76-D108 VanDerWaalsContact CB-OD2 3.28Å; S76-D108 WeakPolarHBondContact CB-OD2 3.48Å; P77-D108 HydrophobicContact CG-CB 4.25Å; D108-T110 PolarHBondContact O-N 2.91Å; D108-T110 PolarHBondContact OD1-N 2.91Å; D108-D111 HydrophobicContact CB-CB 4.16Å; D108-G112 PolarHBondContact N-O 3.17Å; D108-G112 CarbonylContact O-C 3.58Å; D108-G112 WeakPolarHBondContact O-CA 3.43Å; D108-G112 PolarHBondContact O-N 2.78Å |
| 109 | E | 89.6 | Confident | 96.1 | Very high | 155 Ų | 155 | 34 Ų | 34 | 72% | 0.724 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.2 | 175.5 | -68.4 | 175 | -163.8 | 0 | 0 | 111.7 | K41 | K41-E109 IonicContact NZ-OE1 2.65Å; K41-E109 PolarHBondContact NZ-OE1 3.31Å |
| 110 | T | 89.5 | Confident | 96 | Very high | 124 Ų | 124 | 32.7 Ų | 32.7 | 76% | 0.761 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -51.6 | -179.8 | -49.4 | 0 | 0 | 0 | 0 | 112.1 | D108 | D108-T110 PolarHBondContact O-N 2.91Å; D108-T110 PolarHBondContact OD1-N 2.91Å |
| 111 | D | 90.3 | Very high | 96 | Very high | 89 Ų | 89 | 37.4 Ų | 37.4 | 48% | 0.476 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -4.8 | -173.4 | -75.6 | -19.4 | 0 | 0 | 0 | 113.6 | D108 | D108-D111 HydrophobicContact CB-CB 4.16Š|
| 112 | G | 94.6 | Very high | 95.9 | Very high | 20 Ų | 20 | 36 Ų | 36 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 72.8 | -156.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D108 | D108-G112 PolarHBondContact N-O 3.17Å; D108-G112 CarbonylContact O-C 3.58Å; D108-G112 WeakPolarHBondContact O-CA 3.43Å; D108-G112 PolarHBondContact O-N 2.78Å |
| 113 | P | 96.8 | Very high | 95.9 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 145.3 | 178.5 | 28.4 | -33.1 | 0 | 0 | 0 | 111.8 | Q8 G9 Q10 V13 F107 | Q8-P113 HydrophobicContact CG-CB 4.06Å; Q8-P113 HydrophobicContact CG-CG 4.18Å; Q8-P113 PolarHBondContact NE2-O 2.97Å; G9-P113 WeakPolarHBondContact O-CG 3.43Å; Q10-P113 WeakPolarHBondContact O-CD 3.15Å; Q10-P113 VanDerWaalsContact O-CG 3.29Å; Q10-P113 WeakPolarHBondContact O-CG 3.33Å; V13-P113 HydrophobicContact CG2-CB 3.53Å; F107-P113 HydrophobicContact CD2-CB 4.08Å; F107-P113 HydrophobicContact CE2-CB 4.47Å |
| 114 | G | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 122.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A105 G106 | A105-G114 WeakPolarHBondContact CA-O 3.14Å; G106-G114 PolarHBondContact N-O 3.22Å; G106-G114 PolarHBondContact O-N 3.04Å |
| 115 | L | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.6 | 170.1 | 177.9 | 67.7 | 0 | 0 | 0 | 109.8 | G6 Q8 V13 A105 K126 A127 A130 | G6-L115 VanDerWaalsContact C-CD2 3.42Å; G6-L115 WeakPolarHBondContact O-CD2 3.42Å; Q8-L115 HydrophobicContact CB-CB 4.2Å; V13-L115 HydrophobicContact CG1-CB 4.15Å; V13-L115 HydrophobicContact CG1-CD1 4.2Å; A105-L115 HydrophobicContact CB-CD1 4.09Å; L115-K126 WeakPolarHBondContact O-CA 3.34Å; L115-A127 WeakPolarHBondContact CB-O 3.49Å; L115-A127 PolarHBondContact O-N 2.83Å; L115-A130 HydrophobicContact CD2-CB 4.08Å; L115-A130 HydrophobicContact CG-CB 4.48Å |
| 116 | Y | 98.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.7 | -176.1 | -63.2 | -84.9 | 0 | 0 | 0 | 110.1 | P77 K78 A81 L103 L104 L124 A125 K126 | P77-Y116 HydrophobicContact CB-CE2 3.95Å; K78-Y116 WeakPolarHBondContact CA-OH 3.48Å; K78-Y116 WeakPolarHBondContact CB-OH 3.48Å; A81-Y116 HydrophobicContact CB-CD1 3.92Å; A81-Y116 HydrophobicContact CB-CD2 3.99Å; A81-Y116 HydrophobicContact CB-CE1 4.38Å; A81-Y116 HydrophobicContact CB-CE2 4.45Å; A81-Y116 HydrophobicContact CB-CG 3.71Å; L103-Y116 WeakPolarHBondContact CA-O 3.29Å; L104-Y116 HydrophobicContact CD2-CD2 3.89Å; L104-Y116 PolarHBondContact N-O 2.65Å; L104-Y116 PolarHBondContact O-N 3.2Å; Y116-L124 HydrophobicContact CD1-CD1 4.01Å; Y116-L124 HydrophobicContact CG-CD1 4.31Å; Y116-A125 CarbonylContact C-O 3.59Å; Y116-A125 WeakPolarHBondContact CA-O 3.33Å; Y116-K126 HydrophobicContact CD1-CB 4.01Å; Y116-K126 HydrophobicContact CD1-CG 4.32Å; Y116-K126 HydrophobicContact CE1-CB 3.89Å; Y116-K126 HydrophobicContact CE1-CD 4.17Å; Y116-K126 HydrophobicContact CE1-CG 3.99Å |
| 117 | Y | 98.4 | Very high | 95.8 | Very high | 76 Ų | 76 | 49.3 Ų | 49.3 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.1 | 171.7 | 175.5 | -86.2 | 0 | 0 | 0 | 109.8 | L103 D119 L124 A125 A130 H132 | L103-Y117 HydrophobicContact CD2-CD2 3.95Å; Y117-D119 HydrophobicContact CE1-CB 4.1Å; Y117-L124 WeakPolarHBondContact O-CA 3.41Å; Y117-A125 PolarHBondContact N-O 3.21Å; Y117-A125 PolarHBondContact O-N 3Å; Y117-A130 HydrophobicContact CD2-CB 4.07Å; Y117-H132 AromaticContact CD2-CE1 3.53Å; Y117-H132 AromaticContact CD2-NE2 3.44Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.33Å; Y117-H132 AromaticContact CE1-CE1 3.93Å; Y117-H132 AromaticContact CE2-CE1 2.94Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.44Å; Y117-H132 AromaticContact CE2-ND1 3.38Å; Y117-H132 WeakPolarHBondContact CE2-ND1 3.05Å; Y117-H132 AromaticContact CE2-NE2 3.37Å; Y117-H132 WeakPolarHBondContact CE2-NE2 2.99Å; Y117-H132 AromaticContact CZ-CE1 3.16Å; Y117-H132 AromaticContact CZ-ND1 3.74Å; Y117-H132 AromaticContact CZ-NE2 3.93Å; Y117-H132 PolarHBondContact OH-CE1 3.21Å |
| 118 | M | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 122 | 172.2 | -97.4 | 178.7 | -65.9 | 0 | 0 | 111.4 | T84 R85 L102 L104 A123 L124 H132 | T84-M118 HydrophobicContact CG2-CE 3.81Å; T84-M118 HydrophobicContact CG2-SD 4.2Å; R85-M118 HydrophobicContact CB-SD 3.65Å; R85-M118 HydrophobicContact CG-SD 4.27Å; L102-M118 HydrophobicContact CB-CB 4.03Å; L102-M118 HydrophobicContact CD1-CE 4.49Å; L102-M118 PolarHBondContact N-O 3.09Å; L102-M118 PolarHBondContact O-N 3.03Å; L104-M118 HydrophobicContact CB-CE 4.43Å; M118-A123 VanDerWaalsContact CA-O 3.32Å; M118-A123 WeakPolarHBondContact CA-O 3.32Å; M118-L124 HydrophobicContact CE-CD1 4.08Å; M118-L124 HydrophobicContact CG-CB 4Å; M118-L124 HydrophobicContact CG-CD1 3.62Å; M118-L124 HydrophobicContact CG-CG 4.43Å; M118-L124 HydrophobicContact SD-CD1 4.01Å; M118-H132 PolarHBondContact O-CE1 3.11Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.33Å |
| 119 | D | 96.3 | Very high | 96 | Very high | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 28% | 0.282 | C | S | . | . | trans | -84 | 167.7 | 170.1 | 69.9 | 13.4 | 0 | 0 | 0 | 112.1 | L88 N101 Y117 L121 S122 A123 | L88-D119 WeakPolarHBondContact CD2-O 3.17Å; N101-D119 WeakPolarHBondContact OD1-CA 3.41Å; Y117-D119 HydrophobicContact CE1-CB 4.1Å; D119-L121 PolarHBondContact O-N 2.89Å; D119-L121 VanDerWaalsContact O-N 3.09Å; D119-L121 VanDerWaalsContact OD1-C 3.29Å; D119-L121 WeakPolarHBondContact OD1-CA 3.5Å; D119-L121 WeakPolarHBondContact OD1-CB 3.22Å; D119-L121 PolarHBondContact OD1-N 2.77Å; D119-S122 PolarHBondContact O-N 2.79Å; D119-S122 PolarHBondContact OD1-N 3.13Å; D119-S122 VanDerWaalsContact OD1-N 3.07Å; D119-A123 PolarHBondContact N-O 3.25Å; D119-A123 WeakPolarHBondContact OD1-CB 3.41Å; D119-A123 PolarHBondContact OD1-N 2.83Å | ||
| 120 | H | 94.4 | Very high | 96.4 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 33% | 0.329 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -11.5 | 174.8 | 69 | -72.9 | 0 | 0 | 0 | 114.6 | V100 N101 S122 | V100-H120 WeakPolarHBondContact O-CA 3.09Å; V100-H120 VanDerWaalsContact O-CB 3.3Å; V100-H120 WeakPolarHBondContact O-CB 3.44Å; V100-H120 PolarHBondContact O-N 3.24Å; N101-H120 PolarHBondContact OD1-N 2.89Å; N101-H120 PolarHBondContact OD1-ND1 2.76Å; H120-S122 VanDerWaalsContact C-N 3.32Å |
| 121 | L | 95.9 | Very high | 96.8 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 52% | 0.524 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8 | 173.6 | -60.3 | 179.8 | 0 | 0 | 0 | 112.4 | L92 D119 A123 | L92-L121 HydrophobicContact CD1-CD2 4.17Å; L92-L121 HydrophobicContact CD2-CD2 4.45Å; D119-L121 PolarHBondContact O-N 2.89Å; D119-L121 VanDerWaalsContact O-N 3.09Å; D119-L121 VanDerWaalsContact OD1-C 3.29Å; D119-L121 WeakPolarHBondContact OD1-CA 3.5Å; D119-L121 WeakPolarHBondContact OD1-CB 3.22Å; D119-L121 PolarHBondContact OD1-N 2.77Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.33Å |
| 122 | S | 94.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | trans | 65.4 | 25.2 | 179.1 | -43.6 | 0 | 0 | 0 | 0 | 114.2 | R85 L88 A89 D119 H120 | R85-S122 WeakPolarHBondContact CD-O 3.44Å; R85-S122 WeakPolarHBondContact CG-O 2.87Å; L88-S122 WeakPolarHBondContact CB-OG 2.94Å; L88-S122 VanDerWaalsContact CG-OG 3.27Å; L88-S122 WeakPolarHBondContact CG-OG 3.49Å; L88-S122 PolarHBondContact O-OG 3.32Å; A89-S122 VanDerWaalsContact CA-OG 3.25Å; A89-S122 WeakPolarHBondContact CA-OG 2.89Å; A89-S122 PolarHBondContact N-OG 3.2Å; D119-S122 PolarHBondContact O-N 2.79Å; D119-S122 PolarHBondContact OD1-N 3.13Å; D119-S122 VanDerWaalsContact OD1-N 3.07Å; H120-S122 VanDerWaalsContact C-N 3.32Å | ||
| 123 | A | 97.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 42% | 0.421 | 20% | 0.196 | S | C | . | . | trans | -77.4 | 125.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | M118 D119 L121 | M118-A123 VanDerWaalsContact CA-O 3.32Å; M118-A123 WeakPolarHBondContact CA-O 3.32Å; D119-A123 PolarHBondContact N-O 3.25Å; D119-A123 WeakPolarHBondContact OD1-CB 3.41Å; D119-A123 PolarHBondContact OD1-N 2.83Å; L121-A123 VanDerWaalsContact C-N 3.27Å; L121-A123 PolarHBondContact O-N 3.33Å | ||
| 124 | L | 98.1 | Very high | 97.1 | Very high | 48 Ų | 48 | 40 Ų | 40 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.2 | -179.1 | 173.1 | 70.1 | 0 | 0 | 0 | 109.8 | A81 R85 Y116 Y117 M118 | A81-L124 HydrophobicContact CB-CD1 4.02Å; A81-L124 HydrophobicContact CB-CD2 4.22Å; R85-L124 HydrophobicContact CB-CB 4.46Å; R85-L124 HydrophobicContact CB-CD2 4.43Å; R85-L124 HydrophobicContact CG-CB 4Å; Y116-L124 HydrophobicContact CD1-CD1 4.01Å; Y116-L124 HydrophobicContact CG-CD1 4.31Å; Y117-L124 WeakPolarHBondContact O-CA 3.41Å; M118-L124 HydrophobicContact CE-CD1 4.08Å; M118-L124 HydrophobicContact CG-CB 4Å; M118-L124 HydrophobicContact CG-CD1 3.62Å; M118-L124 HydrophobicContact CG-CG 4.43Å; M118-L124 HydrophobicContact SD-CD1 4.01Å |
| 125 | A | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y116 Y117 | Y116-A125 CarbonylContact C-O 3.59Å; Y116-A125 WeakPolarHBondContact CA-O 3.33Å; Y117-A125 PolarHBondContact N-O 3.21Å; Y117-A125 PolarHBondContact O-N 3Å |
| 126 | K | 97.6 | Very high | 96.8 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 48% | 0.483 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.3 | 164.7 | -171.3 | 178.1 | -178.6 | 177.3 | 0 | 107.4 | L115 Y116 | L115-K126 WeakPolarHBondContact O-CA 3.34Å; Y116-K126 HydrophobicContact CD1-CB 4.01Å; Y116-K126 HydrophobicContact CD1-CG 4.32Å; Y116-K126 HydrophobicContact CE1-CB 3.89Å; Y116-K126 HydrophobicContact CE1-CD 4.17Å; Y116-K126 HydrophobicContact CE1-CG 3.99Å |
| 127 | A | 96.9 | Very high | 96.7 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 17% | 0.174 | 25% | 0.25 | C | S | . | . | trans | -139.7 | 145 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L115 F129 | L115-A127 WeakPolarHBondContact CB-O 3.49Å; L115-A127 PolarHBondContact O-N 2.83Å; A127-F129 WeakPolarHBondContact CB-O 3.4Å; A127-F129 PolarHBondContact O-N 3.33Å | ||
| 128 | P | 97.2 | Very high | 96.5 | Very high | 55 Ų | 55 | 46.8 Ų | 46.8 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -66.3 | -26.7 | 177.6 | 26.5 | -33.8 | 0 | 0 | 0 | 112.6 | Q8 Y147 | Q8-P128 WeakPolarHBondContact CA-O 2.95Å; Q8-P128 WeakPolarHBondContact CB-O 3.42Å; Q8-P128 PolarHBondContact N-O 3.41Å; P128-Y147 HydrophobicContact CB-CE1 3.65Å; P128-Y147 HydrophobicContact CB-CE2 4.37Å; P128-Y147 WeakPolarHBondContact CB-OH 3.41Å; P128-Y147 HydrophobicContact CG-CE1 4.37Å |
| 129 | F | 98.1 | Very high | 96.5 | Very high | 32 Ų | 32 | 46.8 Ų | 46.8 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 153.4 | 170.8 | 50.5 | -94.3 | 0 | 0 | 0 | 108.1 | G6 A127 L140 L143 D144 Y147 | G6-F129 CarbonylContact O-C 3.55Å; G6-F129 WeakPolarHBondContact O-CA 3.31Å; G6-F129 WeakPolarHBondContact O-CB 3.26Å; A127-F129 WeakPolarHBondContact CB-O 3.4Å; A127-F129 PolarHBondContact O-N 3.33Å; F129-L140 HydrophobicContact CD2-CD2 4.17Å; F129-L140 HydrophobicContact CE2-CD2 4.39Å; F129-L143 HydrophobicContact CB-CD1 4.11Å; F129-L143 HydrophobicContact CD1-CB 4.46Å; F129-L143 HydrophobicContact CD2-CB 3.69Å; F129-L143 HydrophobicContact CD2-CD1 3.85Å; F129-L143 HydrophobicContact CD2-CG 4.36Å; F129-L143 HydrophobicContact CE2-CB 3.91Å; F129-L143 HydrophobicContact CG-CB 3.99Å; F129-L143 HydrophobicContact CG-CD1 4.19Å; F129-L143 HydrophobicContact CZ-CB 4.41Å; F129-D144 WeakPolarHBondContact CE2-OD1 3.14Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.41Å; F129-Y147 AromaticContact CD1-CD1 3.8Å; F129-Y147 HydrophobicContact CD1-CD1 3.8Å; F129-Y147 AromaticContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CE1 4.21Å; F129-Y147 HydrophobicContact CD1-CE2 4.19Å; F129-Y147 AromaticContact CD1-CG 3.55Å; F129-Y147 HydrophobicContact CD1-CG 3.55Å; F129-Y147 AromaticContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD2 4.4Å; F129-Y147 HydrophobicContact CE1-CE1 4.3Å; F129-Y147 AromaticContact CE1-CG 3.73Å; F129-Y147 HydrophobicContact CE1-CG 3.73Å |
| 130 | A | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I5 G6 L103 L115 Y117 | I5-A130 CarbonylContact C-O 3.54Å; I5-A130 WeakPolarHBondContact CA-O 3.33Å; G6-A130 PolarHBondContact N-O 3.11Å; G6-A130 PolarHBondContact O-N 3.06Å; L103-A130 HydrophobicContact CD2-CB 3.64Å; L115-A130 HydrophobicContact CD2-CB 4.08Å; L115-A130 HydrophobicContact CG-CB 4.48Å; Y117-A130 HydrophobicContact CD2-CB 4.07Å |
| 131 | A | 97.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 148.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y3 L4 A136 L140 | Y3-A131 HydrophobicContact CE2-CB 4.27Å; L4-A131 CarbonylContact O-C 3.13Å; L4-A131 WeakPolarHBondContact O-CA 3.48Å; L4-A131 WeakPolarHBondContact O-CB 3.4Å; A131-A136 HydrophobicContact CB-CB 3.56Å; A131-L140 HydrophobicContact CB-CD2 4.24Å; A131-L140 HydrophobicContact CB-CG 4.43Å |
| 132 | H | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 157.6 | 172 | -77 | -68.8 | 0 | 0 | 0 | 111.1 | Y3 L4 V47 L102 Y117 M118 | Y3-H132 WeakPolarHBondContact CD2-O 3.4Å; L4-H132 HydrophobicContact CB-CB 4.27Å; L4-H132 HydrophobicContact CD1-CB 4.43Å; L4-H132 PolarHBondContact N-O 3.35Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 2.89Å; V47-H132 HydrophobicContact CG2-CB 3.96Å; L102-H132 PolarHBondContact N-NE2 2.84Å; L102-H132 PolarHBondContact O-NE2 2.98Å; L102-H132 VanDerWaalsContact O-NE2 3.15Å; Y117-H132 AromaticContact CD2-CE1 3.53Å; Y117-H132 AromaticContact CD2-NE2 3.44Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.33Å; Y117-H132 AromaticContact CE1-CE1 3.93Å; Y117-H132 AromaticContact CE2-CE1 2.94Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.44Å; Y117-H132 AromaticContact CE2-ND1 3.38Å; Y117-H132 WeakPolarHBondContact CE2-ND1 3.05Å; Y117-H132 AromaticContact CE2-NE2 3.37Å; Y117-H132 WeakPolarHBondContact CE2-NE2 2.99Å; Y117-H132 AromaticContact CZ-CE1 3.16Å; Y117-H132 AromaticContact CZ-ND1 3.74Å; Y117-H132 AromaticContact CZ-NE2 3.93Å; Y117-H132 PolarHBondContact OH-CE1 3.21Å; M118-H132 PolarHBondContact O-CE1 3.11Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.33Å |
| 133 | G | 94.9 | Very high | 96.9 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 85.1 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2 G135 A136 | E2-G133 WeakPolarHBondContact O-CA 3.4Å; G133-G135 PolarHBondContact O-N 2.9Å; G133-A136 WeakPolarHBondContact O-CB 3.43Å; G133-A136 PolarHBondContact O-N 3.31Å |
| 134 | Y | 95.1 | Very high | 96.9 | Very high | 127 Ų | 127 | 47.4 Ų | 47.4 | 50% | 0.498 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23.1 | -176.3 | -69.8 | -62.4 | 0 | 0 | 0 | 113.9 | M1 A136 Y137 | M1-Y134 HydrophobicContact CB-CD2 3.9Å; M1-Y134 HydrophobicContact CB-CE2 4.11Å; M1-Y134 HydrophobicContact CE-CD2 4.08Å; M1-Y134 HydrophobicContact CE-CE2 3.34Å; M1-Y134 HydrophobicContact CG-CD2 4.36Å; M1-Y134 HydrophobicContact CG-CE2 4.48Å; M1-Y134 HydrophobicContact SD-CD2 3.6Å; M1-Y134 HydrophobicContact SD-CE2 3.53Å; M1-Y134 VanDerWaalsContact SD-CE2 3.53Å; M1-Y134 HydrophobicContact SD-CG 4.23Å; Y134-A136 PolarHBondContact O-N 3.48Å; Y134-Y137 HydrophobicContact CD1-CD2 4.21Å; Y134-Y137 AromaticContact CD1-CE2 3.9Å; Y134-Y137 HydrophobicContact CD1-CE2 3.9Å; Y134-Y137 WeakPolarHBondContact O-CD2 3.23Å; Y134-Y137 PolarHBondContact O-N 3.44Å |
| 135 | G | 94.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G133 Y137 L138 T139 | G133-G135 PolarHBondContact O-N 2.9Å; G135-Y137 PolarHBondContact O-N 2.92Å; G135-L138 PolarHBondContact O-N 3.46Å; G135-T139 PolarHBondContact O-N 3.19Å; G135-T139 VanDerWaalsContact O-N 3.15Å; G135-T139 PolarHBondContact O-OG1 3.31Å |
| 136 | A | 95.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | A131 G133 Y134 L138 T139 L140 | A131-A136 HydrophobicContact CB-CB 3.56Å; G133-A136 WeakPolarHBondContact O-CB 3.43Å; G133-A136 PolarHBondContact O-N 3.31Å; Y134-A136 PolarHBondContact O-N 3.48Å; A136-L138 PolarHBondContact O-N 3.11Å; A136-T139 PolarHBondContact O-N 3.15Å; A136-L140 HydrophobicContact CB-CD1 4.07Å; A136-L140 HydrophobicContact CB-CG 4.35Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CD1 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.12Å; A136-L140 PolarHBondContact O-N 3.39Å |
| 137 | Y | 95.5 | Very high | 96.8 | Very high | 184 Ų | 184 | 53.8 Ų | 53.8 | 72% | 0.722 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63 | -25.8 | 178.3 | -67.5 | -76.2 | 0 | 0 | 0 | 113.3 | Y134 G135 | Y134-Y137 HydrophobicContact CD1-CD2 4.21Å; Y134-Y137 AromaticContact CD1-CE2 3.9Å; Y134-Y137 HydrophobicContact CD1-CE2 3.9Å; Y134-Y137 WeakPolarHBondContact O-CD2 3.23Å; Y134-Y137 PolarHBondContact O-N 3.44Å; G135-Y137 PolarHBondContact O-N 2.92Å |
| 138 | L | 95.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -88.4 | -42.9 | 178.2 | -60.2 | 176.3 | 0 | 0 | 0 | 110.7 | G135 A136 S141 L167 R170 F171 | G135-L138 PolarHBondContact O-N 3.46Å; A136-L138 PolarHBondContact O-N 3.11Å; L138-S141 PolarHBondContact O-OG 2.96Å; L138-S141 VanDerWaalsContact O-OG 3.08Å; L138-L167 HydrophobicContact CB-CD2 4.32Å; L138-L167 HydrophobicContact CD1-CD2 4.07Å; L138-R170 HydrophobicContact CD1-CB 4.05Å; L138-R170 HydrophobicContact CD2-CB 4.46Å; L138-F171 HydrophobicContact CD1-CB 4.07Å; L138-F171 HydrophobicContact CD1-CD2 4.2Å |
| 139 | T | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -87.6 | -29 | -168.7 | 57.7 | 0 | 0 | 0 | 0 | 114 | Y3 G135 A136 S141 I142 L143 C163 L167 | Y3-T139 HydrophobicContact CE2-CG2 4.49Å; Y3-T139 WeakPolarHBondContact OH-CB 3.38Å; Y3-T139 VanDerWaalsContact OH-CG2 3.28Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.32Å; Y3-T139 PolarHBondContact OH-OG1 3.46Å; G135-T139 PolarHBondContact O-N 3.19Å; G135-T139 VanDerWaalsContact O-N 3.15Å; G135-T139 PolarHBondContact O-OG1 3.31Å; A136-T139 PolarHBondContact O-N 3.15Å; T139-S141 VanDerWaalsContact C-N 3.26Å; T139-S141 PolarHBondContact O-N 2.97Å; T139-I142 WeakPolarHBondContact O-CB 3.39Å; T139-I142 PolarHBondContact O-N 2.9Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.02Å; T139-C163 HydrophobicContact CG2-CB 3.66Å; T139-L167 HydrophobicContact CG2-CD1 3.99Å; T139-L167 HydrophobicContact CG2-CD2 3.92Å; T139-L167 HydrophobicContact CG2-CG 3.7Å |
| 140 | L | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 62.8 Ų | 62.8 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.1 | -38.1 | 178 | -72.8 | 171.7 | 0 | 0 | 0 | 112.1 | F129 A131 A136 I142 L143 D144 | F129-L140 HydrophobicContact CD2-CD2 4.17Å; F129-L140 HydrophobicContact CE2-CD2 4.39Å; A131-L140 HydrophobicContact CB-CD2 4.24Å; A131-L140 HydrophobicContact CB-CG 4.43Å; A136-L140 HydrophobicContact CB-CD1 4.07Å; A136-L140 HydrophobicContact CB-CG 4.35Å; A136-L140 VanDerWaalsContact O-CB 3.26Å; A136-L140 WeakPolarHBondContact O-CB 3.48Å; A136-L140 WeakPolarHBondContact O-CD1 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.12Å; A136-L140 PolarHBondContact O-N 3.39Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 2.85Å; L140-L143 HydrophobicContact CD2-CD1 4.3Å; L140-L143 PolarHBondContact O-N 2.88Å; L140-D144 WeakPolarHBondContact O-CB 3.48Å; L140-D144 PolarHBondContact O-N 2.87Å |
| 141 | S | 97.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.5 | -30.1 | 176.3 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | L138 T139 R145 | L138-S141 PolarHBondContact O-OG 2.96Å; L138-S141 VanDerWaalsContact O-OG 3.08Å; T139-S141 VanDerWaalsContact C-N 3.26Å; T139-S141 PolarHBondContact O-N 2.97Å; S141-R145 PolarHBondContact O-N 3.02Å |
| 142 | I | 97.6 | Very high | 96.1 | Very high | 23 Ų | 23 | 66 Ų | 66 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.5 | -43.9 | 175.3 | -62.6 | 175.3 | 0 | 0 | 0 | 109.2 | T139 L140 R145 Y146 L159 K162 E166 | T139-I142 WeakPolarHBondContact O-CB 3.39Å; T139-I142 PolarHBondContact O-N 2.9Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 2.85Å; I142-R145 PolarHBondContact O-N 3.41Å; I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.21Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.39Å; I142-Y146 PolarHBondContact O-N 3.31Å; I142-Y146 VanDerWaalsContact O-N 3.07Å; I142-L159 HydrophobicContact CG2-CD1 4.12Å; I142-K162 HydrophobicContact CG2-CB 4.33Å; I142-E166 HydrophobicContact CD1-CB 3.48Å; I142-E166 VanDerWaalsContact CD1-CB 3.48Å; I142-E166 HydrophobicContact CD1-CG 3.76Å |
| 143 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60 | -50 | 175.7 | -66.7 | 168.6 | 0 | 0 | 0 | 110.6 | I5 I7 F129 T139 L140 R145 Y146 Y147 L159 | I5-L143 HydrophobicContact CD1-CD1 3.87Å; I5-L143 HydrophobicContact CD1-CD2 4.36Å; I5-L143 HydrophobicContact CD1-CG 4.49Å; I5-L143 HydrophobicContact CG1-CD1 4.34Å; I7-L143 HydrophobicContact CD1-CD2 3.72Å; I7-L143 HydrophobicContact CG1-CD2 3.87Å; F129-L143 HydrophobicContact CB-CD1 4.11Å; F129-L143 HydrophobicContact CD1-CB 4.46Å; F129-L143 HydrophobicContact CD2-CB 3.69Å; F129-L143 HydrophobicContact CD2-CD1 3.85Å; F129-L143 HydrophobicContact CD2-CG 4.36Å; F129-L143 HydrophobicContact CE2-CB 3.91Å; F129-L143 HydrophobicContact CG-CB 3.99Å; F129-L143 HydrophobicContact CG-CD1 4.19Å; F129-L143 HydrophobicContact CZ-CB 4.41Å; T139-L143 WeakPolarHBondContact O-CG 3.35Å; T139-L143 PolarHBondContact O-N 3.02Å; L140-L143 HydrophobicContact CD2-CD1 4.3Å; L140-L143 PolarHBondContact O-N 2.88Å; L143-R145 PolarHBondContact O-N 2.97Å; L143-R145 VanDerWaalsContact O-N 3.11Å; L143-Y146 PolarHBondContact O-N 3.5Å; L143-Y147 WeakPolarHBondContact O-CA 3.45Å; L143-Y147 WeakPolarHBondContact O-CB 3.31Å; L143-Y147 PolarHBondContact O-N 2.87Å; L143-L159 HydrophobicContact CD2-CD1 4.43Å; L143-L159 HydrophobicContact CD2-CD2 3.89Å; L143-L159 HydrophobicContact CD2-CG 3.98Å |
| 144 | D | 97.3 | Very high | 96 | Very high | 117 Ų | 117 | 74.9 Ų | 74.9 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.5 | -35.6 | 176.4 | -81.6 | -6.7 | 0 | 0 | 0 | 112.9 | F129 L140 | F129-D144 WeakPolarHBondContact CE2-OD1 3.14Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.41Å; L140-D144 WeakPolarHBondContact O-CB 3.48Å; L140-D144 PolarHBondContact O-N 2.87Å |
| 145 | R | 97.5 | Very high | 96 | Very high | 190 Ų | 190 | 72.2 Ų | 72.2 | 72% | 0.717 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -79.5 | -39.3 | -176.9 | -178.2 | 175.1 | 179.7 | 109.1 | 3.1 | 113.8 | S141 I142 L143 | S141-R145 PolarHBondContact O-N 3.02Å; I142-R145 PolarHBondContact O-N 3.41Å; L143-R145 PolarHBondContact O-N 2.97Å; L143-R145 VanDerWaalsContact O-N 3.11Å |
| 146 | Y | 97.1 | Very high | 96.1 | Very high | 109 Ų | 109 | 72.2 Ų | 72.2 | 43% | 0.427 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -114.2 | -13.4 | -167.2 | -65.3 | -68.8 | 0 | 0 | 0 | 114 | I142 L143 L159 | I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.21Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.39Å; I142-Y146 PolarHBondContact O-N 3.31Å; I142-Y146 VanDerWaalsContact O-N 3.07Å; L143-Y146 PolarHBondContact O-N 3.5Å; Y146-L159 HydrophobicContact CD2-CD1 4.43Å; Y146-L159 HydrophobicContact CG-CD1 4.4Å |
| 147 | Y | 97.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 73.5 Ų | 73.5 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | trans | -63.7 | 138.1 | 177.9 | 176.4 | -97.7 | 0 | 0 | 0 | 111.3 | I7 Q8 P128 F129 L143 P149 L151 | I7-Y147 HydrophobicContact CG2-CD2 4.06Å; I7-Y147 HydrophobicContact CG2-CE2 4.03Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.29Å; Q8-Y147 PolarHBondContact O-OH 3.04Å; P128-Y147 HydrophobicContact CB-CE1 3.65Å; P128-Y147 HydrophobicContact CB-CE2 4.37Å; P128-Y147 WeakPolarHBondContact CB-OH 3.41Å; P128-Y147 HydrophobicContact CG-CE1 4.37Å; F129-Y147 AromaticContact CD1-CD1 3.8Å; F129-Y147 HydrophobicContact CD1-CD1 3.8Å; F129-Y147 AromaticContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CD2 3.77Å; F129-Y147 HydrophobicContact CD1-CE1 4.21Å; F129-Y147 HydrophobicContact CD1-CE2 4.19Å; F129-Y147 AromaticContact CD1-CG 3.55Å; F129-Y147 HydrophobicContact CD1-CG 3.55Å; F129-Y147 AromaticContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD1 3.67Å; F129-Y147 HydrophobicContact CE1-CD2 4.4Å; F129-Y147 HydrophobicContact CE1-CE1 4.3Å; F129-Y147 AromaticContact CE1-CG 3.73Å; F129-Y147 HydrophobicContact CE1-CG 3.73Å; L143-Y147 WeakPolarHBondContact O-CA 3.45Å; L143-Y147 WeakPolarHBondContact O-CB 3.31Å; L143-Y147 PolarHBondContact O-N 2.87Å; Y147-P149 HydrophobicContact CE1-CG 4.35Å; Y147-L151 HydrophobicContact CD2-CD1 3.71Å; Y147-L151 HydrophobicContact CE2-CD1 4.09Å; Y147-L151 HydrophobicContact CG-CD1 4.46Å | ||
| 148 | R | 95.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 68.4 Ų | 68.4 | 40% | 0.396 | 34% | 0.338 | S | S | . | . | trans | -136.1 | 146.2 | 167.4 | -53.5 | -172.8 | -57.7 | -91.3 | 0.4 | 109.8 | D150 L151 E155 | R148-D150 WeakPolarHBondContact CB-OD1 3.39Å; R148-D150 IonicContact NE-OD1 3.47Å; R148-D150 PolarHBondContact NE-OD1 2.77Å; R148-D150 PolarHBondContact O-N 3.21Å; R148-L151 HydrophobicContact CB-CG 4.24Å; R148-L151 WeakPolarHBondContact O-CD1 3.36Å; R148-L151 WeakPolarHBondContact O-CG 3.07Å; R148-L151 PolarHBondContact O-N 3.11Å; R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 VanDerWaalsContact NH2-CD 3.25Å; R148-E155 IonicContact NH2-OE1 3.08Å; R148-E155 PolarHBondContact NH2-OE1 3.35Å; R148-E155 IonicContact NH2-OE2 2.84Å; R148-E155 PolarHBondContact NH2-OE2 3.09Å | ||
| 149 | P | 93 | Very high | 96.2 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.9 | 178.6 | -23.5 | 34.7 | 0 | 0 | 0 | 114.4 | Y147 | Y147-P149 HydrophobicContact CE1-CG 4.35Š|
| 150 | D | 94.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 18.1 | -177.7 | 66 | -22.4 | 0 | 0 | 0 | 113.3 | R148 T152 | R148-D150 WeakPolarHBondContact CB-OD1 3.39Å; R148-D150 IonicContact NE-OD1 3.47Å; R148-D150 PolarHBondContact NE-OD1 2.77Å; R148-D150 PolarHBondContact O-N 3.21Å; D150-T152 PolarHBondContact O-N 3.21Å |
| 151 | L | 94.1 | Very high | 96.1 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | trans | -57.9 | 132 | 177.6 | -79.3 | 166.9 | 0 | 0 | 0 | 111.3 | F12 Y147 R148 E155 L159 | F12-L151 WeakPolarHBondContact CE1-O 3.3Å; Y147-L151 HydrophobicContact CD2-CD1 3.71Å; Y147-L151 HydrophobicContact CE2-CD1 4.09Å; Y147-L151 HydrophobicContact CG-CD1 4.46Å; R148-L151 HydrophobicContact CB-CG 4.24Å; R148-L151 WeakPolarHBondContact O-CD1 3.36Å; R148-L151 WeakPolarHBondContact O-CG 3.07Å; R148-L151 PolarHBondContact O-N 3.11Å; L151-E155 HydrophobicContact CD2-CB 3.58Å; L151-L159 HydrophobicContact CD1-CD2 3.99Å | ||
| 152 | T | 95.8 | Very high | 96 | Very high | 73 Ų | 73 | 69.7 Ų | 69.7 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | trans | -74.3 | 165.2 | 167.5 | 70.1 | 0 | 0 | 0 | 0 | 111 | D150 D154 E155 A156 | D150-T152 PolarHBondContact O-N 3.21Å; T152-D154 VanDerWaalsContact C-N 3.29Å; T152-D154 PolarHBondContact O-N 3.19Å; T152-E155 PolarHBondContact N-OE2 3.41Å; T152-E155 VanDerWaalsContact N-OE2 3.11Å; T152-E155 PolarHBondContact O-N 2.91Å; T152-E155 VanDerWaalsContact OG1-CG 3.3Å; T152-E155 WeakPolarHBondContact OG1-CG 3.48Å; T152-E155 PolarHBondContact OG1-N 2.96Å; T152-E155 PolarHBondContact OG1-OE2 2.88Å; T152-A156 PolarHBondContact O-N 2.98Å | ||
| 153 | R | 95 | Very high | 96 | Very high | 90 Ų | 90 | 68.6 Ų | 68.6 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.7 | -44.5 | 177.8 | -62.1 | 179 | -172.3 | -154 | -3.2 | 111.8 | D11 F12 A156 V157 L182 D184 | D11-R153 IonicContact OD2-CZ 3.02Å; D11-R153 IonicContact OD2-NE 3.97Å; D11-R153 IonicContact OD2-NH2 2.62Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å; F12-R153 HydrophobicContact CD1-CG 3.57Å; F12-R153 HydrophobicContact CE1-CB 4.31Å; F12-R153 HydrophobicContact CE1-CG 3.65Å; F12-R153 HydrophobicContact CG-CG 4.05Å; F12-R153 HydrophobicContact CZ-CB 4.42Å; F12-R153 HydrophobicContact CZ-CG 4.18Å; R153-A156 PolarHBondContact O-N 3.27Å; R153-V157 WeakPolarHBondContact O-CG2 3.45Å; R153-V157 PolarHBondContact O-N 3.37Å; R153-L182 HydrophobicContact CB-CD1 4.21Å; R153-L182 HydrophobicContact CG-CD1 4.01Å; R153-D184 IonicContact CZ-OD2 2.74Å; R153-D184 VanDerWaalsContact CZ-OD2 3.27Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 3.5Å; R153-D184 IonicContact NH2-OD2 2.69Å; R153-D184 PolarHBondContact NH2-OD2 3.35Å; R153-D184 VanDerWaalsContact NH2-OD2 3.09Å |
| 154 | D | 94.6 | Very high | 95.9 | Very high | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.5 | -42.9 | -179.9 | -64.6 | -28.9 | 0 | 0 | 0 | 111.8 | T152 A156 V157 D158 | T152-D154 VanDerWaalsContact C-N 3.29Å; T152-D154 PolarHBondContact O-N 3.19Å; D154-A156 VanDerWaalsContact C-N 3.31Å; D154-A156 PolarHBondContact O-N 2.98Å; D154-V157 PolarHBondContact O-N 2.98Å; D154-D158 PolarHBondContact O-N 2.83Å |
| 155 | E | 95.8 | Very high | 95.7 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -36.5 | 177 | -69.5 | -178.6 | 127.4 | 0 | 0 | 112.3 | R148 L151 T152 D158 L159 | R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 VanDerWaalsContact NH2-CD 3.25Å; R148-E155 IonicContact NH2-OE1 3.08Å; R148-E155 PolarHBondContact NH2-OE1 3.35Å; R148-E155 IonicContact NH2-OE2 2.84Å; R148-E155 PolarHBondContact NH2-OE2 3.09Å; L151-E155 HydrophobicContact CD2-CB 3.58Å; T152-E155 PolarHBondContact N-OE2 3.41Å; T152-E155 VanDerWaalsContact N-OE2 3.11Å; T152-E155 PolarHBondContact O-N 2.91Å; T152-E155 VanDerWaalsContact OG1-CG 3.3Å; T152-E155 WeakPolarHBondContact OG1-CG 3.48Å; T152-E155 PolarHBondContact OG1-N 2.96Å; T152-E155 PolarHBondContact OG1-OE2 2.88Å; E155-D158 PolarHBondContact O-N 2.87Å; E155-L159 WeakPolarHBondContact O-CB 3.38Å; E155-L159 PolarHBondContact O-N 2.92Å |
| 156 | A | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F12 L14 T152 R153 D154 L159 L160 | F12-A156 HydrophobicContact CE2-CB 3.61Å; F12-A156 HydrophobicContact CZ-CB 3.56Å; L14-A156 HydrophobicContact CD2-CB 4.12Å; T152-A156 PolarHBondContact O-N 2.98Å; R153-A156 PolarHBondContact O-N 3.27Å; D154-A156 VanDerWaalsContact C-N 3.31Å; D154-A156 PolarHBondContact O-N 2.98Å; A156-L159 PolarHBondContact O-N 3.42Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 PolarHBondContact O-N 2.99Å |
| 157 | V | 96.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L14 R153 D154 L160 K161 L191 | L14-V157 HydrophobicContact CD1-CG2 4.27Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; R153-V157 WeakPolarHBondContact O-CG2 3.45Å; R153-V157 PolarHBondContact O-N 3.37Å; D154-V157 PolarHBondContact O-N 2.98Å; V157-L160 WeakPolarHBondContact O-CB 3.22Å; V157-L160 PolarHBondContact O-N 3.09Å; V157-K161 WeakPolarHBondContact O-CG 3.32Å; V157-K161 PolarHBondContact O-N 3.31Å; V157-L191 HydrophobicContact CG2-CD1 4.16Å |
| 158 | D | 96 | Very high | 95 | Very high | 77 Ų | 77 | 58.9 Ų | 58.9 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 176.8 | -76.6 | -13.1 | 0 | 0 | 0 | 112.7 | D154 E155 K161 K162 | D154-D158 PolarHBondContact O-N 2.83Å; E155-D158 PolarHBondContact O-N 2.87Å; D158-K161 WeakPolarHBondContact O-CB 3.48Å; D158-K161 PolarHBondContact O-N 3.28Å; D158-K161 IonicContact OD1-NZ 3.46Å; D158-K161 PolarHBondContact OD1-NZ 2.94Å; D158-K162 WeakPolarHBondContact O-CG 3.32Å; D158-K162 PolarHBondContact O-N 2.83Å; D158-K162 VanDerWaalsContact O-N 3.1Å |
| 159 | L | 96.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 170.5 | 179.2 | 54.5 | 0 | 0 | 0 | 111.6 | I7 I142 L143 Y146 L151 E155 A156 K162 C163 | I7-L159 HydrophobicContact CD1-CD2 4.41Å; I7-L159 HydrophobicContact CD1-CG 4.33Å; I142-L159 HydrophobicContact CG2-CD1 4.12Å; L143-L159 HydrophobicContact CD2-CD1 4.43Å; L143-L159 HydrophobicContact CD2-CD2 3.89Å; L143-L159 HydrophobicContact CD2-CG 3.98Å; Y146-L159 HydrophobicContact CD2-CD1 4.43Å; Y146-L159 HydrophobicContact CG-CD1 4.4Å; L151-L159 HydrophobicContact CD1-CD2 3.99Å; E155-L159 WeakPolarHBondContact O-CB 3.38Å; E155-L159 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 3.42Å; L159-K162 WeakPolarHBondContact O-CB 3.33Å; L159-K162 PolarHBondContact O-N 3.49Å; L159-C163 PolarHBondContact O-N 3.07Å; L159-C163 VanDerWaalsContact O-N 3.14Å; L159-C163 PolarHBondContact O-SG 2.95Å |
| 160 | L | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 174.3 | 178 | 64.4 | 0 | 0 | 0 | 111.5 | I5 I7 L14 A16 A156 V157 K162 C163 V164 V180 L194 | I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.47Å; I5-L160 HydrophobicContact CG2-CD1 3.56Å; I7-L160 HydrophobicContact CD1-CB 4.32Å; L14-L160 HydrophobicContact CD2-CB 4.16Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.4Å; A16-L160 HydrophobicContact CB-CD1 4.02Å; A16-L160 HydrophobicContact CB-CD2 3.85Å; A156-L160 WeakPolarHBondContact O-CB 3.35Å; A156-L160 PolarHBondContact O-N 2.99Å; V157-L160 WeakPolarHBondContact O-CB 3.22Å; V157-L160 PolarHBondContact O-N 3.09Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.76Å; L160-C163 WeakPolarHBondContact O-CB 3.14Å; L160-C163 PolarHBondContact O-N 2.96Å; L160-C163 VanDerWaalsContact O-N 3.12Å; L160-V164 HydrophobicContact CD1-CG2 4.46Å; L160-V164 PolarHBondContact O-N 2.94Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 3.94Å; L160-L194 HydrophobicContact CD2-CD2 4.36Å; L160-L194 HydrophobicContact CG-CD2 4.1Å |
| 161 | K | 95.9 | Very high | 94.8 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 174.8 | -71.2 | 174.4 | -168.4 | 153 | 0 | 111.9 | V157 D158 C163 V164 E165 L194 | V157-K161 WeakPolarHBondContact O-CG 3.32Å; V157-K161 PolarHBondContact O-N 3.31Å; D158-K161 WeakPolarHBondContact O-CB 3.48Å; D158-K161 PolarHBondContact O-N 3.28Å; D158-K161 IonicContact OD1-NZ 3.46Å; D158-K161 PolarHBondContact OD1-NZ 2.94Å; K161-C163 VanDerWaalsContact C-N 3.3Å; K161-C163 PolarHBondContact O-N 3.41Å; K161-V164 PolarHBondContact O-N 2.97Å; K161-E165 WeakPolarHBondContact O-CB 3.36Å; K161-E165 PolarHBondContact O-N 3.38Å; K161-L194 HydrophobicContact CG-CD1 3.77Å; K161-L194 HydrophobicContact CG-CD2 4.16Å |
| 162 | K | 95.7 | Very high | 94.6 | Very high | 104 Ų | 104 | 69.2 Ų | 69.2 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 175.7 | -69 | 173 | -172.2 | -62 | 0 | 112.1 | I142 D158 L159 L160 E166 | I142-K162 HydrophobicContact CG2-CB 4.33Å; D158-K162 WeakPolarHBondContact O-CG 3.32Å; D158-K162 PolarHBondContact O-N 2.83Å; D158-K162 VanDerWaalsContact O-N 3.1Å; L159-K162 WeakPolarHBondContact O-CB 3.33Å; L159-K162 PolarHBondContact O-N 3.49Å; L160-K162 VanDerWaalsContact C-N 3.33Å; L160-K162 PolarHBondContact O-N 2.76Å; K162-E166 PolarHBondContact O-N 3.31Å; K162-E166 VanDerWaalsContact O-N 3.12Å |
| 163 | C | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | I5 T139 L159 L160 K161 E166 L167 | I5-C163 HydrophobicContact CD1-CB 4.14Å; T139-C163 HydrophobicContact CG2-CB 3.66Å; L159-C163 PolarHBondContact O-N 3.07Å; L159-C163 VanDerWaalsContact O-N 3.14Å; L159-C163 PolarHBondContact O-SG 2.95Å; L160-C163 WeakPolarHBondContact O-CB 3.14Å; L160-C163 PolarHBondContact O-N 2.96Å; L160-C163 VanDerWaalsContact O-N 3.12Å; K161-C163 VanDerWaalsContact C-N 3.3Å; K161-C163 PolarHBondContact O-N 3.41Å; C163-E166 PolarHBondContact O-N 2.95Å; C163-L167 WeakPolarHBondContact O-CG 3.48Å; C163-L167 PolarHBondContact O-N 3.4Å |
| 164 | V | 94.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 179 | 169.5 | 0 | 0 | 0 | 0 | 112.3 | L160 K161 L167 N168 F178 L194 P196 | L160-V164 HydrophobicContact CD1-CG2 4.46Å; L160-V164 PolarHBondContact O-N 2.94Å; K161-V164 PolarHBondContact O-N 2.97Å; V164-L167 PolarHBondContact O-N 3.22Å; V164-N168 PolarHBondContact O-N 3.33Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.79Å; V164-F178 HydrophobicContact CG1-CE2 3.55Å; V164-F178 HydrophobicContact CG1-CZ 4.4Å; V164-F178 HydrophobicContact CG2-CD2 3.93Å; V164-F178 HydrophobicContact CG2-CE2 3.99Å; V164-F178 HydrophobicContact CG2-CG 4.22Å; V164-F178 HydrophobicContact CG2-CZ 4.3Å; V164-L194 HydrophobicContact CB-CD2 3.91Å; V164-L194 HydrophobicContact CG1-CD2 4.22Å; V164-L194 HydrophobicContact CG1-CG 4.37Å; V164-L194 HydrophobicContact CG2-CD2 3.62Å; V164-P196 HydrophobicContact CG1-CB 4.41Å; V164-P196 HydrophobicContact CG1-CG 3.9Å |
| 165 | E | 93.6 | Very high | 93.5 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 174.1 | -171.6 | -179.1 | 176.5 | 0 | 0 | 111.5 | K161 L167 N168 K169 | K161-E165 WeakPolarHBondContact O-CB 3.36Å; K161-E165 PolarHBondContact O-N 3.38Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.89Å; E165-N168 PolarHBondContact O-N 3.02Å; E165-K169 WeakPolarHBondContact O-CB 3.14Å; E165-K169 PolarHBondContact O-N 3.44Å |
| 166 | E | 93.7 | Very high | 93.1 | Very high | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.3 | -168.7 | 72.2 | 171.3 | 0 | 0 | 112 | I142 K162 C163 K169 R170 | I142-E166 HydrophobicContact CD1-CB 3.48Å; I142-E166 VanDerWaalsContact CD1-CB 3.48Å; I142-E166 HydrophobicContact CD1-CG 3.76Å; K162-E166 PolarHBondContact O-N 3.31Å; K162-E166 VanDerWaalsContact O-N 3.12Å; C163-E166 PolarHBondContact O-N 2.95Å; E166-K169 PolarHBondContact O-N 3.42Å; E166-R170 PolarHBondContact O-N 3.29Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 IonicContact OE1-CZ 3.18Å; E166-R170 IonicContact OE1-NE 2.74Å; E166-R170 PolarHBondContact OE1-NE 3.37Å; E166-R170 IonicContact OE1-NH2 3.9Å; E166-R170 PolarHBondContact OE1-NH2 3Å; E166-R170 IonicContact OE2-NE 2.81Å |
| 167 | L | 93.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 172.1 | -71.5 | 175.1 | 0 | 0 | 0 | 110.8 | Y3 L138 T139 C163 V164 E165 K169 R170 F171 F178 | Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.41Å; Y3-L167 HydrophobicContact CE1-CD1 3.52Å; Y3-L167 HydrophobicContact CE2-CD1 4.13Å; Y3-L167 HydrophobicContact CG-CD1 4.25Å; L138-L167 HydrophobicContact CB-CD2 4.32Å; L138-L167 HydrophobicContact CD1-CD2 4.07Å; T139-L167 HydrophobicContact CG2-CD1 3.99Å; T139-L167 HydrophobicContact CG2-CD2 3.92Å; T139-L167 HydrophobicContact CG2-CG 3.7Å; C163-L167 WeakPolarHBondContact O-CG 3.48Å; C163-L167 PolarHBondContact O-N 3.4Å; V164-L167 PolarHBondContact O-N 3.22Å; E165-L167 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 2.89Å; L167-K169 PolarHBondContact O-N 3.37Å; L167-R170 PolarHBondContact O-N 3.43Å; L167-F171 HydrophobicContact CB-CB 4.44Å; L167-F171 HydrophobicContact CD2-CB 4.27Å; L167-F171 HydrophobicContact CD2-CG 4.37Å; L167-F171 WeakPolarHBondContact O-CA 3.28Å; L167-F171 WeakPolarHBondContact O-CB 3.26Å; L167-F171 PolarHBondContact O-N 2.79Å; L167-F178 HydrophobicContact CD1-CE1 4.41Å; L167-F178 HydrophobicContact CD1-CZ 4.16Å |
| 168 | N | 91.5 | Very high | 92.9 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 179.6 | -174.3 | -90.5 | 0 | 0 | 0 | 112.6 | V164 E165 P196 | V164-N168 PolarHBondContact O-N 3.33Å; E165-N168 PolarHBondContact O-N 3.02Å; N168-P196 HydrophobicContact CB-CB 3.69Å; N168-P196 HydrophobicContact CB-CG 4.2Å; N168-P196 WeakPolarHBondContact ND2-CB 3.16Å |
| 169 | K | 91.6 | Very high | 93 | Very high | 162 Ų | 162 | 57.7 Ų | 57.7 | 70% | 0.704 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -77.6 | -37.8 | -177.6 | -172.3 | 174.4 | -178.2 | 175.6 | 0 | 114 | E165 E166 L167 | E165-K169 WeakPolarHBondContact O-CB 3.14Å; E165-K169 PolarHBondContact O-N 3.44Å; E166-K169 PolarHBondContact O-N 3.42Å; L167-K169 PolarHBondContact O-N 3.37Å |
| 170 | R | 92.4 | Very high | 93 | Very high | 166 Ų | 166 | 57.6 Ų | 57.6 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -118.6 | -18.1 | -169 | -60 | -157.9 | -166.3 | -162.3 | 18 | 115.1 | L138 E166 L167 | L138-R170 HydrophobicContact CD1-CB 4.05Å; L138-R170 HydrophobicContact CD2-CB 4.46Å; E166-R170 PolarHBondContact O-N 3.29Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 IonicContact OE1-CZ 3.18Å; E166-R170 IonicContact OE1-NE 2.74Å; E166-R170 PolarHBondContact OE1-NE 3.37Å; E166-R170 IonicContact OE1-NH2 3.9Å; E166-R170 PolarHBondContact OE1-NH2 3Å; E166-R170 IonicContact OE2-NE 2.81Å; L167-R170 PolarHBondContact O-N 3.43Å |
| 171 | F | 93.8 | Very high | 93 | Very high | 31 Ų | 31 | 59 Ų | 59 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | trans | -80.1 | 135 | -178.7 | -163.2 | -128.8 | 0 | 0 | 0 | 110.5 | L138 L167 L173 L175 | L138-F171 HydrophobicContact CD1-CB 4.07Å; L138-F171 HydrophobicContact CD1-CD2 4.2Å; L167-F171 HydrophobicContact CB-CB 4.44Å; L167-F171 HydrophobicContact CD2-CB 4.27Å; L167-F171 HydrophobicContact CD2-CG 4.37Å; L167-F171 WeakPolarHBondContact O-CA 3.28Å; L167-F171 WeakPolarHBondContact O-CB 3.26Å; L167-F171 PolarHBondContact O-N 2.79Å; F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 HydrophobicContact CD1-CB 3.9Å; F171-L173 WeakPolarHBondContact CD1-O 3.4Å; F171-L173 HydrophobicContact CE1-CB 3.61Å; F171-L173 HydrophobicContact CE1-CD1 3.94Å; F171-L173 HydrophobicContact CE1-CG 3.95Å; F171-L173 HydrophobicContact CZ-CB 4.37Å; F171-L173 HydrophobicContact CZ-CD1 4.05Å; F171-L173 HydrophobicContact CZ-CG 4.22Å; F171-L173 PolarHBondContact O-N 3.4Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CD1-CG 4.24Å; F171-L175 HydrophobicContact CE1-CD1 3.99Å; F171-L175 HydrophobicContact CE1-CG 4.37Å | ||
| 172 | I | 91.1 | Very high | 93.1 | Very high | 162 Ų | 162 | 55 Ų | 55 | 83% | 0.831 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -70.5 | -27 | -175.2 | -167.5 | 166.3 | 0 | 0 | 0 | 113 | ||
| 173 | L | 88.7 | Confident | 93.2 | Very high | 78 Ų | 78 | 50 Ų | 50 | 41% | 0.408 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -89.3 | 134.1 | 178.1 | -55.4 | 179.1 | 0 | 0 | 0 | 109.8 | F171 L175 | F171-L173 VanDerWaalsContact C-N 3.3Å; F171-L173 HydrophobicContact CD1-CB 3.9Å; F171-L173 WeakPolarHBondContact CD1-O 3.4Å; F171-L173 HydrophobicContact CE1-CB 3.61Å; F171-L173 HydrophobicContact CE1-CD1 3.94Å; F171-L173 HydrophobicContact CE1-CG 3.95Å; F171-L173 HydrophobicContact CZ-CB 4.37Å; F171-L173 HydrophobicContact CZ-CD1 4.05Å; F171-L173 HydrophobicContact CZ-CG 4.22Å; F171-L173 PolarHBondContact O-N 3.4Å; L173-L175 PolarHBondContact O-N 3.01Å |
| 174 | N | 84 | Confident | 93.2 | Very high | 101 Ų | 101 | 50.1 Ų | 50.1 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | trans | -74.9 | 114.3 | 173.7 | -176.5 | 18.7 | 0 | 0 | 0 | 110.3 | I20 Q27 | I20-N174 WeakPolarHBondContact CD1-O 3.34Å; Q27-N174 PolarHBondContact NE2-O 3.47Å | ||
| 175 | L | 89.9 | Confident | 93.2 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.073 | 26% | 0.258 | C | S | . | . | trans | -112 | 98.5 | 175.1 | -56 | -179.3 | 0 | 0 | 0 | 109.4 | D18 I20 F171 L173 F178 P196 | D18-L175 HydrophobicContact CB-CD1 4.29Å; D18-L175 HydrophobicContact CB-CD2 4.15Å; I20-L175 HydrophobicContact CD1-CD2 3.75Å; F171-L175 HydrophobicContact CD1-CD1 3.96Å; F171-L175 HydrophobicContact CD1-CG 4.24Å; F171-L175 HydrophobicContact CE1-CD1 3.99Å; F171-L175 HydrophobicContact CE1-CG 4.37Å; L173-L175 PolarHBondContact O-N 3.01Å; L175-F178 HydrophobicContact CB-CE1 4.48Å; L175-F178 HydrophobicContact CB-CE2 4.07Å; L175-F178 HydrophobicContact CB-CZ 3.65Å; L175-F178 HydrophobicContact CD1-CE1 4.08Å; L175-F178 HydrophobicContact CD1-CZ 3.75Å; L175-F178 HydrophobicContact CG-CZ 4.37Å; L175-P196 WeakPolarHBondContact O-CG 3.25Å | ||
| 176 | P | 87.4 | Confident | 93.2 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | trans | -80.4 | -25 | -167.9 | 31.1 | -35.7 | 0 | 0 | 0 | 113.8 | I20 P196 | I20-P176 HydrophobicContact CD1-CG 4.27Å; I20-P176 HydrophobicContact CG1-CG 4.38Å; P176-P196 WeakPolarHBondContact O-CD 3.38Å | ||
| 177 | S | 92.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | trans | -152.9 | 153.6 | -179.2 | 65.7 | 0 | 0 | 0 | 0 | 111.8 | N19 L194 | N19-S177 WeakPolarHBondContact CB-OG 3.41Å; N19-S177 PolarHBondContact N-O 3.27Å; N19-S177 VanDerWaalsContact OD1-C 3.23Å; N19-S177 WeakPolarHBondContact OD1-CB 3.33Å; N19-S177 PolarHBondContact OD1-O 3.03Å; N19-S177 PolarHBondContact OD1-OG 3.26Å; S177-L194 CarbonylContact C-O 3.48Å; S177-L194 WeakPolarHBondContact CA-O 3.25Å | ||
| 178 | F | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.6 | 174.8 | -61.8 | -96.9 | 0 | 0 | 0 | 109.6 | Y3 A17 D18 N19 V164 L167 L175 K193 L194 P196 | Y3-F178 HydrophobicContact CD1-CD1 4.33Å; Y3-F178 AromaticContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CD1-CE1 3.67Å; Y3-F178 HydrophobicContact CE1-CE1 4.21Å; A17-F178 CarbonylContact O-C 3.57Å; A17-F178 WeakPolarHBondContact O-CA 3.45Å; D18-F178 HydrophobicContact CB-CD1 4.13Å; D18-F178 HydrophobicContact CB-CE1 3.88Å; N19-F178 WeakPolarHBondContact OD1-CA 3.48Å; N19-F178 PolarHBondContact OD1-N 2.92Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.79Å; V164-F178 HydrophobicContact CG1-CE2 3.55Å; V164-F178 HydrophobicContact CG1-CZ 4.4Å; V164-F178 HydrophobicContact CG2-CD2 3.93Å; V164-F178 HydrophobicContact CG2-CE2 3.99Å; V164-F178 HydrophobicContact CG2-CG 4.22Å; V164-F178 HydrophobicContact CG2-CZ 4.3Å; L167-F178 HydrophobicContact CD1-CE1 4.41Å; L167-F178 HydrophobicContact CD1-CZ 4.16Å; L175-F178 HydrophobicContact CB-CE1 4.48Å; L175-F178 HydrophobicContact CB-CE2 4.07Å; L175-F178 HydrophobicContact CB-CZ 3.65Å; L175-F178 HydrophobicContact CD1-CE1 4.08Å; L175-F178 HydrophobicContact CD1-CZ 3.75Å; L175-F178 HydrophobicContact CG-CZ 4.37Å; F178-K193 WeakPolarHBondContact O-CA 3.5Å; F178-L194 HydrophobicContact CB-CB 4.4Å; F178-L194 PolarHBondContact N-O 3.02Å; F178-L194 PolarHBondContact O-N 3.47Å; F178-P196 HydrophobicContact CE2-CG 4.42Å |
| 179 | T | 96.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.5 | 164.5 | -69 | 0 | 0 | 0 | 0 | 107.7 | A16 A17 N19 M35 R181 | A16-T179 WeakPolarHBondContact CA-O 3.47Å; A17-T179 PolarHBondContact N-O 3.23Å; A17-T179 VanDerWaalsContact N-O 3.09Å; A17-T179 PolarHBondContact O-N 2.92Å; N19-T179 PolarHBondContact ND2-OG1 2.94Å; N19-T179 PolarHBondContact OD1-N 3.04Å; M35-T179 HydrophobicContact CE-CG2 4.11Å; M35-T179 WeakPolarHBondContact CE-O 3.25Å; M35-T179 HydrophobicContact SD-CG2 4.34Å; T179-R181 HydrophobicContact CG2-CG 4.44Å |
| 180 | V | 97.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.5 | 179.6 | -172 | 0 | 0 | 0 | 0 | 108.7 | L14 V15 A16 L160 L191 L194 | L14-V180 HydrophobicContact CD1-CG1 3.56Å; L14-V180 HydrophobicContact CG-CG1 4.23Å; V15-V180 WeakPolarHBondContact O-CA 3.39Å; A16-V180 HydrophobicContact CB-CG2 4.03Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 3.94Å; V180-L191 HydrophobicContact CB-CB 4.23Å; V180-L191 HydrophobicContact CG1-CB 4.31Å; V180-L191 HydrophobicContact CG1-CD1 4.04Å; V180-L191 PolarHBondContact O-N 2.85Å; V180-L194 HydrophobicContact CG2-CB 3.9Å |
| 181 | R | 98.1 | Very high | 93.9 | Very high | 33 Ų | 33 | 47 Ų | 47 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 142.8 | 175.6 | -71.8 | -177.9 | 174.5 | 148.8 | 10.1 | 110.4 | V15 D33 M35 L43 T179 I188 H189 D190 | V15-R181 HydrophobicContact CG2-CB 3.99Å; V15-R181 WeakPolarHBondContact CG2-O 3.27Å; V15-R181 PolarHBondContact N-O 3.17Å; V15-R181 PolarHBondContact O-N 3.35Å; D33-R181 IonicContact OD1-NH1 2.72Å; D33-R181 IonicContact OD2-CZ 2.92Å; D33-R181 VanDerWaalsContact OD2-CZ 3.31Å; D33-R181 IonicContact OD2-NH1 3.09Å; D33-R181 PolarHBondContact OD2-NH1 2.96Å; D33-R181 IonicContact OD2-NH2 3.27Å; D33-R181 PolarHBondContact OD2-NH2 3.38Å; M35-R181 PolarHBondContact O-NH1 3.17Å; M35-R181 HydrophobicContact SD-CB 4.11Å; M35-R181 HydrophobicContact SD-CG 3.91Å; L43-R181 HydrophobicContact CD1-CB 4.4Å; T179-R181 HydrophobicContact CG2-CG 4.44Å; R181-I188 HydrophobicContact CB-CG2 4.39Å; R181-H189 WeakPolarHBondContact CA-O 3.35Å; R181-D190 WeakPolarHBondContact CG-OD1 3.42Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.53Å; R181-D190 PolarHBondContact NE-OD1 2.73Å; R181-D190 IonicContact NH2-OD1 3.97Å; R181-D190 PolarHBondContact NH2-OD1 3.43Å |
| 182 | L | 97.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.9 | 174.7 | -176.1 | 146.3 | 0 | 0 | 0 | 109 | F12 L14 R153 D184 H189 L191 | F12-L182 HydrophobicContact CB-CD1 4.36Å; F12-L182 HydrophobicContact CB-CD2 4.09Å; F12-L182 HydrophobicContact CB-CG 4.13Å; F12-L182 HydrophobicContact CD2-CD1 3.89Å; F12-L182 HydrophobicContact CD2-CG 4.21Å; F12-L182 HydrophobicContact CG-CD1 4.19Å; F12-L182 HydrophobicContact CG-CG 4.43Å; L14-L182 HydrophobicContact CD1-CB 4.24Å; L14-L182 HydrophobicContact CD1-CD1 4.47Å; R153-L182 HydrophobicContact CB-CD1 4.21Å; R153-L182 HydrophobicContact CG-CD1 4.01Å; L182-D184 HydrophobicContact CD2-CB 3.9Å; L182-H189 PolarHBondContact N-O 2.89Å; L182-H189 PolarHBondContact O-N 3.27Å; L182-L191 HydrophobicContact CB-CD1 4.08Å; L182-L191 HydrophobicContact CB-CG 4.29Å |
| 183 | I | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.5 | 177.6 | -53.2 | 129.9 | 0 | 0 | 0 | 108.1 | F12 V13 V15 L43 A105 F107 G187 I188 | F12-I183 CarbonylContact C-O 3.54Å; F12-I183 WeakPolarHBondContact CA-O 3.14Å; F12-I183 WeakPolarHBondContact CB-O 3.42Å; V13-I183 HydrophobicContact CB-CD1 4.29Å; V13-I183 PolarHBondContact N-O 3.33Å; V13-I183 PolarHBondContact O-N 3.29Å; V15-I183 HydrophobicContact CG1-CD1 4.49Å; V15-I183 HydrophobicContact CG2-CD1 4.25Å; L43-I183 HydrophobicContact CB-CD1 4.11Å; L43-I183 HydrophobicContact CB-CG1 4.5Å; A105-I183 HydrophobicContact CB-CD1 3.47Å; A105-I183 VanDerWaalsContact CB-CD1 3.47Å; F107-I183 HydrophobicContact CB-CG2 3.96Å; I183-G187 WeakPolarHBondContact CA-O 3.47Å; I183-I188 HydrophobicContact CG1-CG1 4.06Å; I183-I188 HydrophobicContact CG2-CG1 4.38Å |
| 184 | D | 95.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | trans | -138.7 | -165.2 | 178.4 | 67.9 | 13.1 | 0 | 0 | 0 | 111.8 | F12 R153 L182 E186 G187 H189 | F12-D184 HydrophobicContact CB-CB 4.31Å; R153-D184 IonicContact CZ-OD2 2.74Å; R153-D184 VanDerWaalsContact CZ-OD2 3.27Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 3.5Å; R153-D184 IonicContact NH2-OD2 2.69Å; R153-D184 PolarHBondContact NH2-OD2 3.35Å; R153-D184 VanDerWaalsContact NH2-OD2 3.09Å; L182-D184 HydrophobicContact CD2-CB 3.9Å; D184-E186 PolarHBondContact O-N 3.41Å; D184-E186 WeakPolarHBondContact OD1-CA 3.44Å; D184-E186 WeakPolarHBondContact OD1-CB 3.5Å; D184-E186 PolarHBondContact OD1-N 3.11Å; D184-G187 PolarHBondContact N-O 2.86Å; D184-G187 PolarHBondContact O-N 3.24Å; D184-G187 PolarHBondContact OD1-N 3.46Å; D184-H189 VanDerWaalsContact CG-NE2 3.34Å; D184-H189 IonicContact OD1-CD2 2.69Å; D184-H189 PolarHBondContact OD1-CD2 3.2Å; D184-H189 IonicContact OD1-NE2 3.41Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 IonicContact OD2-CD2 3.48Å; D184-H189 IonicContact OD2-NE2 3.31Å; D184-H189 PolarHBondContact OD2-NE2 2.92Å | ||
| 185 | T | 94.3 | Very high | 93.6 | Very high | 71 Ų | 71 | 48 Ų | 48 | 44% | 0.436 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -57.7 | -30.4 | 177.4 | 46.5 | 0 | 0 | 0 | 0 | 114 | K41 F107 | K41-T185 WeakPolarHBondContact CE-O 3.27Å; K41-T185 PolarHBondContact NZ-O 3.07Å; F107-T185 HydrophobicContact CD1-CG2 4.21Å; F107-T185 HydrophobicContact CE1-CG2 3.35Å; F107-T185 HydrophobicContact CE2-CG2 4.16Å; F107-T185 HydrophobicContact CZ-CG2 3.32Å |
| 186 | E | 93.8 | Very high | 93 | Very high | 159 Ų | 159 | 47.7 Ų | 47.7 | 74% | 0.743 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -87.5 | -20.8 | -175.6 | -59.9 | -174.7 | 172.7 | 0 | 0 | 112.2 | D184 H189 | D184-E186 PolarHBondContact O-N 3.41Å; D184-E186 WeakPolarHBondContact OD1-CA 3.44Å; D184-E186 WeakPolarHBondContact OD1-CB 3.5Å; D184-E186 PolarHBondContact OD1-N 3.11Å; E186-H189 IonicContact OE2-CE1 2.7Å |
| 187 | G | 94.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | trans | 138.3 | -142.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I183 D184 | I183-G187 WeakPolarHBondContact CA-O 3.47Å; D184-G187 PolarHBondContact N-O 2.86Å; D184-G187 PolarHBondContact O-N 3.24Å; D184-G187 PolarHBondContact OD1-N 3.46Å | ||
| 188 | I | 97.2 | Very high | 90.1 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123 | -179.3 | -59.7 | 162.3 | 0 | 0 | 0 | 108.3 | K37 D40 L43 R181 I183 | K37-I188 HydrophobicContact CD-CD1 4.07Å; K37-I188 HydrophobicContact CG-CD1 3.77Å; D40-I188 WeakPolarHBondContact O-CG1 3.38Å; L43-I188 HydrophobicContact CB-CD1 4.24Å; L43-I188 HydrophobicContact CD1-CD1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.85Å; R181-I188 HydrophobicContact CB-CG2 4.39Å; I183-I188 HydrophobicContact CG1-CG1 4.06Å; I183-I188 HydrophobicContact CG2-CG1 4.38Å |
| 189 | H | 96.4 | Very high | 88.1 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127 | 179.7 | -52.8 | -80 | 0 | 0 | 0 | 110.3 | R181 L182 D184 E186 | R181-H189 WeakPolarHBondContact CA-O 3.35Å; L182-H189 PolarHBondContact N-O 2.89Å; L182-H189 PolarHBondContact O-N 3.27Å; D184-H189 VanDerWaalsContact CG-NE2 3.34Å; D184-H189 IonicContact OD1-CD2 2.69Å; D184-H189 PolarHBondContact OD1-CD2 3.2Å; D184-H189 IonicContact OD1-NE2 3.41Å; D184-H189 PolarHBondContact OD1-NE2 2.98Å; D184-H189 IonicContact OD2-CD2 3.48Å; D184-H189 IonicContact OD2-NE2 3.31Å; D184-H189 PolarHBondContact OD2-NE2 2.92Å; E186-H189 IonicContact OE2-CE1 2.7Å |
| 190 | D | 95.6 | Very high | 85.7 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 121.4 | 170 | -72.7 | -58.1 | 0 | 0 | 0 | 109.4 | R181 | R181-D190 WeakPolarHBondContact CG-OD1 3.42Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.53Å; R181-D190 PolarHBondContact NE-OD1 2.73Å; R181-D190 IonicContact NH2-OD1 3.97Å; R181-D190 PolarHBondContact NH2-OD1 3.43Å |
| 191 | L | 93.8 | Very high | 83.4 | Confident | 67 Ų | 67 | 72 Ų | 72 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -94 | 167.1 | 173.3 | -60.4 | -174.3 | 0 | 0 | 0 | 110.6 | L14 V157 V180 L182 K193 | L14-L191 HydrophobicContact CD1-CD1 3.78Å; V157-L191 HydrophobicContact CG2-CD1 4.16Å; V180-L191 HydrophobicContact CB-CB 4.23Å; V180-L191 HydrophobicContact CG1-CB 4.31Å; V180-L191 HydrophobicContact CG1-CD1 4.04Å; V180-L191 PolarHBondContact O-N 2.85Å; L182-L191 HydrophobicContact CB-CD1 4.08Å; L182-L191 HydrophobicContact CB-CG 4.29Å; L191-K193 PolarHBondContact O-N 3.48Å |
| 192 | E | 90.4 | Very high | 81 | Confident | 174 Ų | 174 | 76.6 Ų | 76.6 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 135.6 | 174.6 | -169.8 | 177.1 | -178.3 | 0 | 0 | 110.6 | L194 | E192-L194 PolarHBondContact O-N 3.17Š|
| 193 | K | 88.1 | Confident | 78.3 | Confident | 101 Ų | 101 | 80.2 Ų | 80.2 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 128.2 | 178.5 | -72.7 | -174 | 178.1 | -178.1 | 0 | 109.6 | F178 L191 M195 | F178-K193 WeakPolarHBondContact O-CA 3.5Å; L191-K193 PolarHBondContact O-N 3.48Å; K193-M195 PolarHBondContact O-N 3.41Å |
| 194 | L | 87.9 | Confident | 75.7 | Confident | 31 Ų | 31 | 85.6 Ų | 85.6 | 16% | 0.162 | 48% | 0.477 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 121.2 | 179.6 | -177.2 | 61.2 | 0 | 0 | 0 | 109.6 | L160 K161 V164 S177 F178 V180 E192 | L160-L194 HydrophobicContact CD2-CD2 4.36Å; L160-L194 HydrophobicContact CG-CD2 4.1Å; K161-L194 HydrophobicContact CG-CD1 3.77Å; K161-L194 HydrophobicContact CG-CD2 4.16Å; V164-L194 HydrophobicContact CB-CD2 3.91Å; V164-L194 HydrophobicContact CG1-CD2 4.22Å; V164-L194 HydrophobicContact CG1-CG 4.37Å; V164-L194 HydrophobicContact CG2-CD2 3.62Å; S177-L194 CarbonylContact C-O 3.48Å; S177-L194 WeakPolarHBondContact CA-O 3.25Å; F178-L194 HydrophobicContact CB-CB 4.4Å; F178-L194 PolarHBondContact N-O 3.02Å; F178-L194 PolarHBondContact O-N 3.47Å; V180-L194 HydrophobicContact CG2-CB 3.9Å; E192-L194 PolarHBondContact O-N 3.17Å |
| 195 | M | 85 | Confident | 73.2 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 43% | 0.429 | 51% | 0.511 | S | S | . | . | trans | -111 | 132.8 | 175.1 | -64.7 | -176.8 | -67.4 | 0 | 0 | 109.3 | K193 L201 | K193-M195 PolarHBondContact O-N 3.41Å; M195-L201 HydrophobicContact SD-CD1 3.73Å | ||
| 196 | P | 77.4 | Confident | 70.5 | Confident | 7 Ų | 7 | 92.3 Ų | 92.3 | 5% | 0.045 | 53% | 0.529 | C | S | . | . | trans | -60.7 | 147.4 | 170.5 | -17.2 | 29.4 | 0 | 0 | 0 | 111.3 | V164 N168 L175 P176 F178 G198 A199 | V164-P196 HydrophobicContact CG1-CB 4.41Å; V164-P196 HydrophobicContact CG1-CG 3.9Å; N168-P196 HydrophobicContact CB-CB 3.69Å; N168-P196 HydrophobicContact CB-CG 4.2Å; N168-P196 WeakPolarHBondContact ND2-CB 3.16Å; L175-P196 WeakPolarHBondContact O-CG 3.25Å; P176-P196 WeakPolarHBondContact O-CD 3.38Å; F178-P196 HydrophobicContact CE2-CG 4.42Å; P196-G198 PolarHBondContact O-N 3.15Å; P196-G198 VanDerWaalsContact O-N 3.07Å; P196-A199 WeakPolarHBondContact O-CB 3.4Å; P196-A199 PolarHBondContact O-N 3.37Å | ||
| 197 | V | 62.7 | Low | 68.2 | Low | 138 Ų | 138 | 90.6 Ų | 90.6 | 84% | 0.836 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 115.9 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 198 | G | 55.9 | Low | 65.7 | Low | 80 Ų | 80 | 99.2 Ų | 99.2 | 83% | 0.825 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.6 | -7.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P196 K200 | P196-G198 PolarHBondContact O-N 3.15Å; P196-G198 VanDerWaalsContact O-N 3.07Å; G198-K200 PolarHBondContact O-N 3.07Å |
| 199 | A | 54.5 | Low | 64.1 | Low | 29 Ų | 29 | 102.2 Ų | 102.2 | 24% | 0.24 | 61% | 0.614 | C | S | . | * | trans | -75.4 | 115.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P196 | P196-A199 WeakPolarHBondContact O-CB 3.4Å; P196-A199 PolarHBondContact O-N 3.37Å | ||
| 200 | K | 45.5 | Very low | 62.4 | Low | 195 Ų | 195 | 104.3 Ų | 104.3 | 85% | 0.848 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 128.9 | 165 | -76 | -178 | 178.3 | 179.4 | 0 | 108.4 | G198 L202 | G198-K200 PolarHBondContact O-N 3.07Å; K200-L202 PolarHBondContact O-N 3.16Å |
| 201 | L | 48.8 | Very low | 60.5 | Low | 109 Ų | 109 | 103.9 Ų | 103.9 | 57% | 0.571 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -58 | 121.8 | 164.6 | -127.2 | 85.3 | 0 | 0 | 0 | 107.6 | M195 A203 | M195-L201 HydrophobicContact SD-CD1 3.73Å; L201-A203 PolarHBondContact O-N 2.71Å |
| 202 | L | 48.4 | Very low | 58.6 | Low | 129 Ų | 129 | 106.1 Ų | 106.1 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 123.5 | 159.6 | -81.7 | 151.3 | 0 | 0 | 0 | 105.6 | K200 | K200-L202 PolarHBondContact O-N 3.16Š|
| 203 | A | 40.6 | Very low | 56.6 | Low | 86 Ų | 86 | 101.8 Ų | 101.8 | 71% | 0.711 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 139.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L201 A205 | L201-A203 PolarHBondContact O-N 2.71Å; A203-A205 PolarHBondContact O-N 3.19Å |
| 204 | P | 43.4 | Very low | 54.5 | Low | 112 Ų | 112 | 101.9 Ų | 101.9 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.3 | 177.8 | 22.6 | -31.2 | 0 | 0 | 0 | 108.9 | ||
| 205 | A | 43.1 | Very low | 52.1 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | A203 S207 | A203-A205 PolarHBondContact O-N 3.19Å; A205-S207 PolarHBondContact O-N 3.39Å |
| 206 | P | 36.8 | Very low | 49.6 | Very low | 126 Ų | 126 | 108.5 Ų | 108.5 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.5 | -179.9 | 22.5 | -31.1 | 0 | 0 | 0 | 109 | S208 | P206-S208 PolarHBondContact O-N 2.92Å; P206-S208 VanDerWaalsContact O-N 3.11Å |
| 207 | S | 47 | Very low | 47.3 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -59.1 | 113.1 | 172.9 | 52.8 | 0 | 0 | 0 | 0 | 109 | A205 | A205-S207 PolarHBondContact O-N 3.39Š| ||
| 208 | S | 40.5 | Very low | 45.9 | Very low | 187 Ų | 187 | 115 Ų | 115 | 100% | 1.308 | 76% | 0.756 | S | S | * | * | trans | -74.4 | 0 | 166.8 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | P206 | P206-S208 PolarHBondContact O-N 2.92Å; P206-S208 VanDerWaalsContact O-N 3.11Å |
Retrieved 208 of 208 residues in 655.6 ms
(Link to these results)