| 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 | 83.8 | Confident | 96.6 | Very high | 118 Ų | 118 | 30.7 Ų | 30.7 | 58% | 0.581 | 16% | 0.164 | S | C | * | . | 0 | 131.3 | 0 | -166.6 | 65.4 | -179.5 | 0 | 0 | 107.4 | Y134 L173 | M1-Y134 HydrophobicContact CB-CD2 4.07Å; M1-Y134 HydrophobicContact CB-CE2 4.35Å; M1-Y134 HydrophobicContact CE-CE1 4.49Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.02Å; M1-Y134 HydrophobicContact CG-CG 4.08Å; M1-Y134 HydrophobicContact SD-CE2 4.45Å; M1-L173 HydrophobicContact CB-CD1 3.86Å | |||
| 2 | E | 96.5 | Very high | 96.7 | Very high | 38 Ų | 38 | 28.2 Ų | 28.2 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | trans | -92.5 | 162.7 | -173.6 | -55.6 | 171.4 | 105.1 | 0 | 0 | 110.4 | D18 K34 V47 G48 G133 | E2-D18 WeakPolarHBondContact CA-OD1 3.11Å; E2-K34 HydrophobicContact CB-CD 4.19Å; E2-K34 HydrophobicContact CG-CD 4.39Å; E2-K34 VanDerWaalsContact CG-CE 3.46Å; E2-K34 WeakPolarHBondContact OE1-CE 3.37Å; E2-V47 HydrophobicContact CB-CB 3.9Å; E2-V47 HydrophobicContact CB-CG1 3.41Å; E2-V47 VanDerWaalsContact CB-CG1 3.41Å; E2-V47 HydrophobicContact CG-CG1 4.19Å; E2-V47 VanDerWaalsContact OE2-CA 3.31Å; E2-V47 WeakPolarHBondContact OE2-CA 3.44Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.17Å; E2-G48 PolarHBondContact OE2-N 3.15Å; E2-G133 WeakPolarHBondContact O-CA 3.16Å | ||
| 3 | Y | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | trans | -134.8 | 129.5 | 179 | 177.9 | -101.5 | 0 | 0 | 0 | 111.4 | I5 A17 D18 A131 H132 T139 L167 F178 | Y3-I5 HydrophobicContact CE1-CB 3.82Å; Y3-I5 HydrophobicContact CE1-CG2 3.66Å; Y3-I5 VanDerWaalsContact OH-CD1 3.31Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.47Å; Y3-A17 WeakPolarHBondContact O-CA 3.34Å; Y3-D18 PolarHBondContact N-OD1 3.07Å; Y3-D18 PolarHBondContact O-N 3.32Å; Y3-D18 VanDerWaalsContact O-N 3.14Å; Y3-A131 HydrophobicContact CE2-CB 4.28Å; Y3-H132 WeakPolarHBondContact CA-O 3.4Å; Y3-H132 VanDerWaalsContact CD2-O 3.3Å; Y3-H132 WeakPolarHBondContact CD2-O 3.13Å; Y3-T139 WeakPolarHBondContact OH-CB 3.48Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.18Å; Y3-T139 PolarHBondContact OH-OG1 2.75Å; Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.37Å; Y3-L167 HydrophobicContact CE1-CD1 3.65Å; Y3-L167 HydrophobicContact CE2-CD1 4.21Å; Y3-L167 HydrophobicContact CG-CD1 4.17Å; Y3-F178 HydrophobicContact CD1-CD1 4.26Å; Y3-F178 AromaticContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CE1-CE1 4.23Å | ||
| 4 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.5 | 173 | -54.4 | -179.2 | 0 | 0 | 0 | 109.4 | A17 K34 L45 V47 L103 A131 H132 | L4-A17 HydrophobicContact CD2-CB 3.56Å; L4-K34 HydrophobicContact CD2-CB 4.34Å; L4-K34 HydrophobicContact CD2-CD 4.38Å; L4-L45 HydrophobicContact CD1-CB 3.7Å; L4-L45 HydrophobicContact CD2-CB 3.97Å; L4-L45 HydrophobicContact CD2-CD2 4.09Å; L4-L45 HydrophobicContact CG-CB 4.38Å; L4-V47 HydrophobicContact CD1-CB 4.28Å; L4-V47 HydrophobicContact CD1-CG1 3.76Å; L4-V47 HydrophobicContact CD1-CG2 3.67Å; L4-V47 HydrophobicContact CD2-CG1 3.63Å; L4-V47 HydrophobicContact CG-CB 4.42Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 4.01Å; L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.34Å; L4-L103 HydrophobicContact CD1-CG 4.39Å; L4-A131 CarbonylContact O-C 3.17Å; L4-A131 WeakPolarHBondContact O-CA 3.34Å; L4-A131 WeakPolarHBondContact O-CB 3.45Å; L4-H132 HydrophobicContact CB-CB 4.24Å; L4-H132 HydrophobicContact CD1-CB 4.42Å; L4-H132 HydrophobicContact CG-CB 4.48Å; L4-H132 PolarHBondContact N-O 3.28Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 3.44Å |
| 5 | I | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 139.5 | 172.5 | -178.7 | 167.3 | 0 | 0 | 0 | 109.9 | Y3 I7 V15 A16 A130 A131 L143 L160 C163 | Y3-I5 HydrophobicContact CE1-CB 3.82Å; Y3-I5 HydrophobicContact CE1-CG2 3.66Å; Y3-I5 VanDerWaalsContact OH-CD1 3.31Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.47Å; I5-I7 HydrophobicContact CG1-CG1 4.46Å; I5-V15 CarbonylContact O-C 3.55Å; I5-V15 WeakPolarHBondContact O-CA 3.46Å; I5-A16 HydrophobicContact CG2-CB 3.74Å; I5-A16 PolarHBondContact N-O 2.99Å; I5-A16 PolarHBondContact O-N 2.77Å; I5-A130 CarbonylContact C-O 3.6Å; I5-A130 WeakPolarHBondContact CA-O 3.46Å; I5-A131 HydrophobicContact CB-CB 4.47Å; I5-L143 HydrophobicContact CD1-CD1 3.84Å; I5-L143 HydrophobicContact CD1-CD2 4.27Å; I5-L143 HydrophobicContact CD1-CG 4.43Å; I5-L143 HydrophobicContact CG1-CD1 4.25Å; I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.45Å; I5-L160 HydrophobicContact CG2-CD1 3.5Å; I5-C163 HydrophobicContact CD1-CB 4.1Å |
| 6 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L14 L115 F129 A130 | G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.38Å; G6-L115 VanDerWaalsContact C-CD2 3.47Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; G6-F129 CarbonylContact O-C 3.52Å; G6-F129 WeakPolarHBondContact O-CA 3.36Å; G6-F129 WeakPolarHBondContact O-CB 3.43Å; G6-A130 PolarHBondContact N-O 3.47Å; G6-A130 PolarHBondContact O-N 3.17Å |
| 7 | I | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 116 | 177.8 | -52.9 | 175.6 | 0 | 0 | 0 | 107.5 | I5 L14 L143 Y147 A156 L159 L160 | I5-I7 HydrophobicContact CG1-CG1 4.46Å; I7-L14 PolarHBondContact N-O 2.95Å; I7-L14 PolarHBondContact O-N 2.83Å; I7-L143 HydrophobicContact CD1-CD2 3.7Å; I7-L143 HydrophobicContact CG1-CD2 3.96Å; I7-Y147 HydrophobicContact CG2-CD2 4.04Å; I7-Y147 HydrophobicContact CG2-CE2 4Å; I7-A156 HydrophobicContact CG2-CB 4.45Å; I7-L159 HydrophobicContact CD1-CD2 4.4Å; I7-L159 HydrophobicContact CD1-CG 4.32Å; I7-L160 HydrophobicContact CD1-CB 4.23Å |
| 8 | Q | 98.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 19.1 Ų | 19.1 | 15% | 0.154 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 121.7 | 175 | 174.3 | 175.4 | -20.7 | 0 | 0 | 109.8 | V13 P113 L115 P128 Y147 | Q8-V13 HydrophobicContact CG-CG2 4.48Å; Q8-P113 HydrophobicContact CG-CB 4.14Å; Q8-P113 HydrophobicContact CG-CG 4.23Å; Q8-P113 PolarHBondContact NE2-O 3.33Å; Q8-L115 HydrophobicContact CB-CB 4.23Å; Q8-P128 WeakPolarHBondContact CA-O 3.5Å; Q8-P128 VanDerWaalsContact CB-O 3.25Å; Q8-P128 WeakPolarHBondContact CB-O 3.43Å; Q8-P128 PolarHBondContact N-O 3.3Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.22Å; Q8-Y147 PolarHBondContact O-OH 3.37Å |
| 9 | G | 97.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | trans | -94 | -169.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y12 P113 | G9-Y12 PolarHBondContact N-O 2.76Å; G9-P113 WeakPolarHBondContact O-CG 3.1Å | ||
| 10 | P | 96.9 | Very high | 97.1 | Very high | 75 Ų | 75 | 17.7 Ų | 17.7 | 49% | 0.487 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -68.6 | -40.7 | -178.9 | 25.1 | -32.8 | 0 | 0 | 0 | 113.4 | P113 L151 | P10-P113 WeakPolarHBondContact O-CD 3.44Å; P10-P113 WeakPolarHBondContact O-CG 3.48Å; P10-L151 WeakPolarHBondContact CD-O 3.26Å |
| 11 | D | 96.9 | Very high | 97 | Very high | 67 Ų | 67 | 18.3 Ų | 18.3 | 36% | 0.358 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -124.9 | 8.1 | -176.1 | 69.1 | -51.4 | 0 | 0 | 0 | 113.6 | H107 R153 | D11-H107 PolarHBondContact O-CD2 3.45Å; D11-H107 PolarHBondContact O-NE2 2.89Å; D11-R153 IonicContact OD2-CZ 3.69Å; D11-R153 IonicContact OD2-NE 3.94Å; D11-R153 IonicContact OD2-NH2 3.54Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å |
| 12 | Y | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -149.8 | 164.1 | -176.5 | 68.4 | -85.5 | 0 | 0 | 0 | 112.6 | G9 L14 L151 S152 R153 A156 L182 I183 | G9-Y12 PolarHBondContact N-O 2.76Å; Y12-L14 HydrophobicContact CD2-CB 4.29Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; Y12-L151 PolarHBondContact OH-O 2.86Å; Y12-L151 VanDerWaalsContact OH-O 3.07Å; Y12-S152 PolarHBondContact OH-O 3.42Å; Y12-R153 HydrophobicContact CD1-CG 3.49Å; Y12-R153 VanDerWaalsContact CD1-CG 3.49Å; Y12-R153 HydrophobicContact CD2-CG 4.4Å; Y12-R153 HydrophobicContact CE1-CB 4.26Å; Y12-R153 HydrophobicContact CE1-CG 3.47Å; Y12-R153 VanDerWaalsContact CE1-CG 3.47Å; Y12-R153 HydrophobicContact CE2-CG 4.39Å; Y12-R153 HydrophobicContact CG-CG 3.99Å; Y12-R153 WeakPolarHBondContact OH-CA 3.34Å; Y12-R153 PolarHBondContact OH-N 3.28Å; Y12-A156 HydrophobicContact CE2-CB 3.94Å; Y12-A156 WeakPolarHBondContact OH-CB 3.37Å; Y12-L182 HydrophobicContact CD2-CD1 3.69Å; Y12-L182 HydrophobicContact CD2-CG 4.18Å; Y12-L182 HydrophobicContact CE2-CD1 4.31Å; Y12-L182 HydrophobicContact CG-CD1 4.07Å; Y12-L182 HydrophobicContact CG-CG 4.43Å; Y12-I183 CarbonylContact C-O 3.49Å; Y12-I183 WeakPolarHBondContact CA-O 3.35Å; Y12-I183 WeakPolarHBondContact CB-O 3.36Å | ||
| 13 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.8 | 165.8 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | Q8 V15 A105 P113 L115 I183 | Q8-V13 HydrophobicContact CG-CG2 4.48Å; V13-V15 HydrophobicContact CG1-CG1 4.09Å; V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.68Å; V13-P113 HydrophobicContact CG2-CB 3.52Å; V13-L115 HydrophobicContact CG1-CB 4.13Å; V13-L115 HydrophobicContact CG1-CD1 4.19Å; V13-I183 PolarHBondContact N-O 3Å; V13-I183 PolarHBondContact O-N 3.18Å |
| 14 | L | 98.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.9 | 173.2 | -176.7 | 70.7 | 0 | 0 | 0 | 108.6 | G6 I7 Y12 A156 V157 L160 V180 L182 | G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.38Å; I7-L14 PolarHBondContact N-O 2.95Å; I7-L14 PolarHBondContact O-N 2.83Å; Y12-L14 HydrophobicContact CD2-CB 4.29Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; L14-A156 HydrophobicContact CD2-CB 4.07Å; L14-V157 HydrophobicContact CD1-CG2 4.3Å; L14-V157 HydrophobicContact CD2-CG2 4Å; L14-L160 HydrophobicContact CD2-CB 4.19Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; L14-V180 HydrophobicContact CD1-CG1 3.58Å; L14-V180 HydrophobicContact CG-CG1 4.37Å; L14-L182 HydrophobicContact CD1-CB 4.28Å; L14-L182 HydrophobicContact CD1-CD1 4.4Å |
| 15 | V | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.9 | 177 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | I5 V13 M35 L43 L45 A105 V180 R181 | I5-V15 CarbonylContact O-C 3.55Å; I5-V15 WeakPolarHBondContact O-CA 3.46Å; V13-V15 HydrophobicContact CG1-CG1 4.09Å; V15-M35 HydrophobicContact CG2-CE 4.26Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; V15-L43 HydrophobicContact CG2-CD1 4Å; V15-L45 HydrophobicContact CB-CD1 4.03Å; V15-L45 HydrophobicContact CB-CD2 3.95Å; V15-L45 HydrophobicContact CG1-CD1 3.98Å; V15-L45 HydrophobicContact CG2-CD1 4.12Å; V15-L45 HydrophobicContact CG2-CD2 4.3Å; V15-A105 HydrophobicContact CG1-CB 3.51Å; V15-V180 WeakPolarHBondContact O-CA 3.49Å; V15-R181 HydrophobicContact CG2-CB 4.04Å; V15-R181 PolarHBondContact N-O 3.41Å; V15-R181 PolarHBondContact O-N 3.35Å |
| 16 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I5 L160 N179 V180 | I5-A16 HydrophobicContact CG2-CB 3.74Å; I5-A16 PolarHBondContact N-O 2.99Å; I5-A16 PolarHBondContact O-N 2.77Å; A16-L160 HydrophobicContact CB-CD1 3.97Å; A16-L160 HydrophobicContact CB-CD2 3.78Å; A16-L160 HydrophobicContact CB-CG 4.49Å; A16-N179 WeakPolarHBondContact CA-O 3.26Å; A16-N179 WeakPolarHBondContact CB-O 3.45Å; A16-V180 HydrophobicContact CB-CG2 4Å |
| 17 | A | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | Y3 L4 K34 M35 L45 F178 N179 | Y3-A17 WeakPolarHBondContact O-CA 3.34Å; L4-A17 HydrophobicContact CD2-CB 3.56Å; A17-K34 HydrophobicContact CB-CB 4.02Å; A17-K34 HydrophobicContact CB-CD 4.37Å; A17-K34 HydrophobicContact CB-CG 4.48Å; A17-M35 HydrophobicContact CB-CE 3.81Å; A17-M35 HydrophobicContact CB-CG 4.4Å; A17-L45 HydrophobicContact CB-CD2 4.31Å; A17-F178 CarbonylContact O-C 3.59Å; A17-F178 VanDerWaalsContact O-CA 3.22Å; A17-F178 WeakPolarHBondContact O-CA 3.42Å; A17-N179 PolarHBondContact N-O 3.35Å; A17-N179 PolarHBondContact O-N 3.03Å |
| 18 | D | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 154.3 | 174 | 80.9 | -78.1 | 0 | 0 | 0 | 111.1 | E2 Y3 V20 K34 L175 F178 | E2-D18 WeakPolarHBondContact CA-OD1 3.11Å; Y3-D18 PolarHBondContact N-OD1 3.07Å; Y3-D18 PolarHBondContact O-N 3.32Å; Y3-D18 VanDerWaalsContact O-N 3.14Å; D18-V20 WeakPolarHBondContact OD2-CB 3.41Å; D18-V20 PolarHBondContact OD2-N 3.06Å; D18-K34 PolarHBondContact O-NZ 3.15Å; D18-K34 WeakPolarHBondContact OD1-CE 3.27Å; D18-K34 IonicContact OD1-NZ 2.73Å; D18-K34 PolarHBondContact OD1-NZ 3.35Å; D18-K34 IonicContact OD2-NZ 3.13Å; D18-K34 PolarHBondContact OD2-NZ 3.2Å; D18-L175 HydrophobicContact CB-CD1 4.25Å; D18-L175 HydrophobicContact CB-CD2 4.05Å; D18-F178 HydrophobicContact CB-CD1 3.97Å; D18-F178 HydrophobicContact CB-CE1 3.69Å; D18-F178 HydrophobicContact CB-CZ 4.4Å |
| 19 | N | 95.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -96.6 | 8.3 | -178.2 | -66.2 | 118.9 | 0 | 0 | 0 | 115.8 | H30 D31 Y32 S177 F178 N179 | N19-H30 WeakPolarHBondContact CB-O 3.18Å; N19-H30 CarbonylContact O-C 3.51Å; N19-D31 PolarHBondContact O-N 2.92Å; N19-Y32 WeakPolarHBondContact CA-O 3.38Å; N19-Y32 PolarHBondContact ND2-O 3.16Å; N19-Y32 WeakPolarHBondContact O-CB 2.97Å; N19-Y32 PolarHBondContact O-N 2.86Å; N19-S177 WeakPolarHBondContact CB-OG 3.44Å; N19-S177 PolarHBondContact N-O 3.3Å; N19-S177 VanDerWaalsContact N-O 3.09Å; N19-S177 PolarHBondContact OD1-O 3.02Å; N19-S177 PolarHBondContact OD1-OG 2.96Å; N19-F178 WeakPolarHBondContact OD1-CA 3.4Å; N19-F178 PolarHBondContact OD1-N 3.45Å; N19-N179 PolarHBondContact ND2-ND2 2.84Å; N19-N179 PolarHBondContact ND2-OD1 3.4Å; N19-N179 PolarHBondContact OD1-N 3.4Å | ||
| 20 | V | 95.7 | Very high | 96.3 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | trans | -90.1 | 131.3 | -171.5 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | D18 A22 Q27 K34 L175 P176 | D18-V20 WeakPolarHBondContact OD2-CB 3.41Å; D18-V20 PolarHBondContact OD2-N 3.06Å; V20-A22 HydrophobicContact CG1-CB 4.13Å; V20-Q27 HydrophobicContact CG1-CB 4.16Å; V20-Q27 HydrophobicContact CG1-CG 3.71Å; V20-K34 PolarHBondContact O-NZ 2.87Å; V20-L175 HydrophobicContact CB-CD2 4.37Å; V20-L175 HydrophobicContact CG2-CD2 4.1Å; V20-P176 HydrophobicContact CG2-CG 4.44Å | ||
| 21 | A | 96.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | M28 K29 Y32 | A21-M28 PolarHBondContact O-N 2.72Å; A21-K29 HydrophobicContact CB-CB 4Å; A21-K29 PolarHBondContact N-O 3.16Å; A21-K29 PolarHBondContact O-N 3.24Å; A21-Y32 HydrophobicContact CB-CD1 4.31Å; A21-Y32 HydrophobicContact CB-CD2 4.45Å; A21-Y32 HydrophobicContact CB-CG 4.03Å |
| 22 | A | 95.2 | Very high | 96.2 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 51% | 0.512 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V20 I26 | V20-A22 HydrophobicContact CG1-CB 4.13Å; A22-I26 WeakPolarHBondContact CA-O 3.46Å |
| 23 | S | 95.5 | Very high | 96.1 | Very high | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.6 | 170.9 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | I25 I26 M28 | S23-I25 PolarHBondContact O-N 3.14Å; S23-I26 PolarHBondContact N-O 3.02Å; S23-I26 WeakPolarHBondContact O-CG1 3.37Å; S23-I26 PolarHBondContact O-N 3.13Å; S23-I26 VanDerWaalsContact O-O 3.11Å; S23-M28 WeakPolarHBondContact CB-SD 3.3Å |
| 24 | S | 94.9 | Very high | 96.1 | Very high | 115 Ų | 115 | 54.1 Ų | 54.1 | 80% | 0.804 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -133 | -169.7 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | ||
| 25 | I | 93.9 | Very high | 96.1 | Very high | 164 Ų | 164 | 54.5 Ų | 54.5 | 84% | 0.841 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -4.3 | -179.3 | 66.6 | 177.9 | 0 | 0 | 0 | 114 | S23 | S23-I25 PolarHBondContact O-N 3.14Š|
| 26 | I | 94.5 | Very high | 96.1 | Very high | 102 Ų | 102 | 55.9 Ų | 55.9 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 144.4 | -173.8 | 59.9 | 170.5 | 0 | 0 | 0 | 111.9 | A22 S23 M28 | A22-I26 WeakPolarHBondContact CA-O 3.46Å; S23-I26 PolarHBondContact N-O 3.02Å; S23-I26 WeakPolarHBondContact O-CG1 3.37Å; S23-I26 PolarHBondContact O-N 3.13Å; S23-I26 VanDerWaalsContact O-O 3.11Å; I26-M28 HydrophobicContact CD1-CG 4.36Å; I26-M28 HydrophobicContact CG1-CG 4.4Å |
| 27 | Q | 94.8 | Very high | 96 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.4 | 167.6 | -60.8 | -175.3 | -6 | 0 | 0 | 107.8 | V20 H30 N174 | V20-Q27 HydrophobicContact CG1-CB 4.16Å; V20-Q27 HydrophobicContact CG1-CG 3.71Å; Q27-H30 PolarHBondContact OE1-CE1 3.24Å; Q27-H30 PolarHBondContact OE1-ND1 2.79Å; Q27-H30 VanDerWaalsContact OE1-ND1 3.11Å; Q27-N174 PolarHBondContact NE2-O 3Å |
| 28 | M | 96.4 | Very high | 96 | Very high | 136 Ų | 136 | 59.8 Ų | 59.8 | 67% | 0.67 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -28.7 | -178.5 | -63.3 | -171 | 74.7 | 0 | 0 | 112.2 | A21 S23 I26 | A21-M28 PolarHBondContact O-N 2.72Å; S23-M28 WeakPolarHBondContact CB-SD 3.3Å; I26-M28 HydrophobicContact CD1-CG 4.36Å; I26-M28 HydrophobicContact CG1-CG 4.4Å |
| 29 | K | 95.6 | Very high | 95.9 | Very high | 79 Ų | 79 | 59.9 Ų | 59.9 | 34% | 0.343 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 140 | 179.8 | -166.3 | 172.8 | 173.9 | 62.4 | 0 | 110.1 | A21 D31 Y32 | A21-K29 HydrophobicContact CB-CB 4Å; A21-K29 PolarHBondContact N-O 3.16Å; A21-K29 PolarHBondContact O-N 3.24Å; K29-D31 WeakPolarHBondContact CE-OD1 3.07Å; K29-D31 WeakPolarHBondContact CG-OD1 3.16Å; K29-D31 IonicContact NZ-OD1 2.72Å; K29-D31 PolarHBondContact NZ-OD1 2.92Å; K29-D31 IonicContact NZ-OD2 2.94Å; K29-D31 PolarHBondContact NZ-OD2 3.14Å; K29-Y32 HydrophobicContact CD-CD2 4.32Å |
| 30 | H | 93.1 | Very high | 95.9 | Very high | 104 Ų | 104 | 64.2 Ų | 64.2 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -113.4 | -0.5 | -179.6 | -55.7 | -75.3 | 0 | 0 | 0 | 113.4 | N19 Q27 | N19-H30 WeakPolarHBondContact CB-O 3.18Å; N19-H30 CarbonylContact O-C 3.51Å; Q27-H30 PolarHBondContact OE1-CE1 3.24Å; Q27-H30 PolarHBondContact OE1-ND1 2.79Å; Q27-H30 VanDerWaalsContact OE1-ND1 3.11Å |
| 31 | D | 94.7 | Very high | 95.9 | Very high | 92 Ų | 92 | 65.5 Ų | 65.5 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -126.5 | 28.7 | -177.8 | 64.4 | -41.8 | 0 | 0 | 0 | 111.1 | N19 K29 | N19-D31 PolarHBondContact O-N 2.92Å; K29-D31 WeakPolarHBondContact CE-OD1 3.07Å; K29-D31 WeakPolarHBondContact CG-OD1 3.16Å; K29-D31 IonicContact NZ-OD1 2.72Å; K29-D31 PolarHBondContact NZ-OD1 2.92Å; K29-D31 IonicContact NZ-OD2 2.94Å; K29-D31 PolarHBondContact NZ-OD2 3.14Å |
| 32 | Y | 96 | Very high | 96 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | trans | -71.3 | 138.9 | 176.7 | -171.4 | -116.6 | 0 | 0 | 0 | 110.4 | N19 A21 K29 K34 | N19-Y32 WeakPolarHBondContact CA-O 3.38Å; N19-Y32 PolarHBondContact ND2-O 3.16Å; N19-Y32 WeakPolarHBondContact O-CB 2.97Å; N19-Y32 PolarHBondContact O-N 2.86Å; A21-Y32 HydrophobicContact CB-CD1 4.31Å; A21-Y32 HydrophobicContact CB-CD2 4.45Å; A21-Y32 HydrophobicContact CB-CG 4.03Å; K29-Y32 HydrophobicContact CD-CD2 4.32Å; Y32-K34 HydrophobicContact CD1-CD 4.47Å; Y32-K34 HydrophobicContact CD1-CG 3.71Å; Y32-K34 HydrophobicContact CE1-CG 3.76Å | ||
| 33 | D | 96.9 | Very high | 96.2 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | trans | -112.5 | 127.3 | 175.8 | -167.4 | 9.1 | 0 | 0 | 0 | 109.9 | M35 N179 R181 | D33-M35 PolarHBondContact OD1-N 2.88Å; D33-N179 VanDerWaalsContact CG-ND2 3.28Å; D33-N179 PolarHBondContact OD1-ND2 2.8Å; D33-R181 IonicContact OD2-CZ 3.23Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.19Å; D33-R181 IonicContact OD2-NH2 3.85Å; D33-R181 PolarHBondContact OD2-NH2 3.45Å | ||
| 34 | K | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | trans | -101.9 | 4.6 | -174.6 | -58.4 | -174 | 167 | 90.3 | 0 | 112.8 | E2 L4 A17 D18 V20 Y32 L45 C46 V47 | E2-K34 HydrophobicContact CB-CD 4.19Å; E2-K34 HydrophobicContact CG-CD 4.39Å; E2-K34 VanDerWaalsContact CG-CE 3.46Å; E2-K34 WeakPolarHBondContact OE1-CE 3.37Å; L4-K34 HydrophobicContact CD2-CB 4.34Å; L4-K34 HydrophobicContact CD2-CD 4.38Å; A17-K34 HydrophobicContact CB-CB 4.02Å; A17-K34 HydrophobicContact CB-CD 4.37Å; A17-K34 HydrophobicContact CB-CG 4.48Å; D18-K34 PolarHBondContact O-NZ 3.15Å; D18-K34 WeakPolarHBondContact OD1-CE 3.27Å; D18-K34 IonicContact OD1-NZ 2.73Å; D18-K34 PolarHBondContact OD1-NZ 3.35Å; D18-K34 IonicContact OD2-NZ 3.13Å; D18-K34 PolarHBondContact OD2-NZ 3.2Å; V20-K34 PolarHBondContact O-NZ 2.87Å; Y32-K34 HydrophobicContact CD1-CD 4.47Å; Y32-K34 HydrophobicContact CD1-CG 3.71Å; Y32-K34 HydrophobicContact CE1-CG 3.76Å; K34-L45 WeakPolarHBondContact O-CA 3.45Å; K34-C46 PolarHBondContact O-N 2.73Å; K34-V47 HydrophobicContact CD-CG1 3.89Å | ||
| 35 | M | 98.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.2 | -170.6 | -55.2 | -166.4 | -169.4 | 0 | 0 | 110.6 | V15 A17 D33 L44 L45 N179 R181 | V15-M35 HydrophobicContact CG2-CE 4.26Å; V15-M35 HydrophobicContact CG2-SD 4.03Å; A17-M35 HydrophobicContact CB-CE 3.81Å; A17-M35 HydrophobicContact CB-CG 4.4Å; D33-M35 PolarHBondContact OD1-N 2.88Å; M35-L44 CarbonylContact C-O 3.59Å; M35-L45 HydrophobicContact CB-CG 4.46Å; M35-L45 HydrophobicContact CE-CD2 3.88Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.85Å; M35-L45 HydrophobicContact SD-CD2 4.11Å; M35-L45 HydrophobicContact SD-CG 4.45Å; M35-N179 HydrophobicContact CE-CB 4.13Å; M35-N179 VanDerWaalsContact CE-O 3.26Å; M35-N179 WeakPolarHBondContact CE-O 3.47Å; M35-R181 PolarHBondContact O-NH1 3.33Å; M35-R181 HydrophobicContact SD-CB 4.16Å; M35-R181 HydrophobicContact SD-CG 3.89Å |
| 36 | F | 98.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.127 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121.7 | -179 | -61 | -98 | 0 | 0 | 0 | 109.9 | L38 L44 C46 A57 E58 | F36-L38 PolarHBondContact O-N 3.4Å; F36-L44 HydrophobicContact CB-CB 4.46Å; F36-L44 PolarHBondContact N-O 2.81Å; F36-L44 PolarHBondContact O-N 3.16Å; F36-C46 HydrophobicContact CD2-CB 4.23Å; F36-C46 HydrophobicContact CE2-CB 3.97Å; F36-A57 HydrophobicContact CD1-CB 3.92Å; F36-A57 HydrophobicContact CD2-CB 3.58Å; F36-A57 HydrophobicContact CE1-CB 3.93Å; F36-A57 HydrophobicContact CE2-CB 3.61Å; F36-A57 HydrophobicContact CG-CB 3.75Å; F36-A57 HydrophobicContact CZ-CB 3.78Å; F36-E58 HydrophobicContact CE1-CG 4.36Å |
| 37 | K | 98.1 | Very high | 96.9 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 36% | 0.361 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 107.9 | 173.1 | -175.3 | 176.8 | -179.5 | -179.1 | 0 | 109.7 | S39 E40 L43 Q61 I188 | K37-S39 VanDerWaalsContact CE-O 3.26Å; K37-S39 WeakPolarHBondContact CE-O 3.22Å; K37-S39 WeakPolarHBondContact CG-O 3.43Å; K37-E40 WeakPolarHBondContact CE-OE1 3.43Å; K37-E40 WeakPolarHBondContact CE-OE2 3.47Å; K37-E40 IonicContact NZ-OE1 2.68Å; K37-E40 PolarHBondContact NZ-OE1 2.83Å; K37-E40 IonicContact NZ-OE2 2.73Å; K37-E40 PolarHBondContact NZ-OE2 3.34Å; K37-L43 HydrophobicContact CB-CD2 4.37Å; K37-Q61 WeakPolarHBondContact O-CG 3.41Å; K37-Q61 PolarHBondContact O-NE2 3.43Å; K37-I188 HydrophobicContact CD-CD1 4.2Å; K37-I188 HydrophobicContact CG-CD1 3.82Å |
| 38 | L | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -39 | 176.7 | -61 | -169.4 | 0 | 0 | 0 | 111.4 | F36 I42 L44 I60 Q61 V64 Q65 L104 | F36-L38 PolarHBondContact O-N 3.4Å; L38-I42 HydrophobicContact CB-CB 4.16Å; L38-I42 HydrophobicContact CB-CG2 3.92Å; L38-I42 HydrophobicContact CD1-CG2 3.87Å; L38-I42 HydrophobicContact CG-CG2 4.22Å; L38-I42 PolarHBondContact N-O 3.15Å; L38-L44 HydrophobicContact CD1-CB 3.8Å; L38-L44 HydrophobicContact CD1-CD2 4.48Å; L38-L44 HydrophobicContact CD2-CB 3.93Å; L38-L44 HydrophobicContact CD2-CD2 4.17Å; L38-L44 HydrophobicContact CG-CB 3.75Å; L38-I60 HydrophobicContact CD1-CG2 4.05Å; L38-I60 HydrophobicContact CD2-CG2 4.13Å; L38-Q61 HydrophobicContact CD2-CB 3.85Å; L38-Q61 HydrophobicContact CD2-CG 4.25Å; L38-V64 HydrophobicContact CB-CG1 4.24Å; L38-V64 HydrophobicContact CD1-CG2 4.46Å; L38-Q65 PolarHBondContact O-NE2 3.4Å; L38-L104 HydrophobicContact CD1-CD1 4.04Å |
| 39 | S | 95.1 | Very high | 97 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | -175 | 175.9 | 91.3 | 0 | 0 | 0 | 0 | 110.1 | K37 K41 I42 E74 | K37-S39 VanDerWaalsContact CE-O 3.26Å; K37-S39 WeakPolarHBondContact CE-O 3.22Å; K37-S39 WeakPolarHBondContact CG-O 3.43Å; S39-K41 PolarHBondContact O-N 3.05Å; S39-K41 PolarHBondContact OG-N 3.36Å; S39-I42 PolarHBondContact N-O 2.87Å; S39-I42 WeakPolarHBondContact OG-CG1 3.45Å; S39-I42 PolarHBondContact OG-N 3.31Å; S39-E74 WeakPolarHBondContact CB-OE2 3.21Å; S39-E74 PolarHBondContact OG-OE2 2.92Å |
| 40 | E | 95.3 | Very high | 97 | Very high | 91 Ų | 91 | 38.8 Ų | 38.8 | 43% | 0.425 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.4 | 178.1 | -63.5 | -52.8 | 127.2 | 0 | 0 | 113.2 | K37 E74 G187 I188 | K37-E40 WeakPolarHBondContact CE-OE1 3.43Å; K37-E40 WeakPolarHBondContact CE-OE2 3.47Å; K37-E40 IonicContact NZ-OE1 2.68Å; K37-E40 PolarHBondContact NZ-OE1 2.83Å; K37-E40 IonicContact NZ-OE2 2.73Å; K37-E40 PolarHBondContact NZ-OE2 3.34Å; E40-E74 PolarHBondContact N-OE2 3.01Å; E40-G187 WeakPolarHBondContact O-CA 3.35Å; E40-I188 WeakPolarHBondContact O-CG1 3.38Å; E40-I188 PolarHBondContact O-N 3.03Å |
| 41 | K | 96.9 | Very high | 97.2 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 12.7 | -176.1 | -56.3 | -176.4 | -179.9 | -175.9 | 0 | 113.7 | S39 G106 H107 E109 K185 | S39-K41 PolarHBondContact O-N 3.05Å; S39-K41 PolarHBondContact OG-N 3.36Å; K41-G106 CarbonylContact O-C 3.6Å; K41-G106 WeakPolarHBondContact O-CA 3.5Å; K41-H107 WeakPolarHBondContact CB-O 3.22Å; K41-H107 PolarHBondContact O-N 3.24Å; K41-E109 IonicContact NZ-OE1 3.35Å; K41-E109 PolarHBondContact NZ-OE1 3.49Å; K41-K185 VanDerWaalsContact CE-O 3.22Å; K41-K185 WeakPolarHBondContact CE-O 3.37Å; K41-K185 PolarHBondContact NZ-O 3.38Å; K41-K185 VanDerWaalsContact NZ-O 3.15Å |
| 42 | I | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.2 | -178.1 | -56.9 | 174.5 | 0 | 0 | 0 | 111.1 | L38 S39 L75 P77 A80 L104 A105 | L38-I42 HydrophobicContact CB-CB 4.16Å; L38-I42 HydrophobicContact CB-CG2 3.92Å; L38-I42 HydrophobicContact CD1-CG2 3.87Å; L38-I42 HydrophobicContact CG-CG2 4.22Å; L38-I42 PolarHBondContact N-O 3.15Å; S39-I42 PolarHBondContact N-O 2.87Å; S39-I42 WeakPolarHBondContact OG-CG1 3.45Å; S39-I42 PolarHBondContact OG-N 3.31Å; I42-L75 VanDerWaalsContact CD1-O 3.24Å; I42-L75 WeakPolarHBondContact CD1-O 3.3Å; I42-P77 HydrophobicContact CD1-CG 4.34Å; I42-P77 HydrophobicContact CG1-CG 4.15Å; I42-A80 HydrophobicContact CD1-CB 3.97Å; I42-L104 HydrophobicContact CG2-CD1 4.31Å; I42-L104 HydrophobicContact CG2-CD2 3.93Å; I42-L104 HydrophobicContact CG2-CG 4.06Å; I42-A105 WeakPolarHBondContact CA-O 3.26Å |
| 43 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137 | 169.8 | -75.7 | 173.9 | 0 | 0 | 0 | 111 | V15 K37 L45 L104 A105 R181 I183 I188 | V15-L43 HydrophobicContact CG2-CD1 4Å; K37-L43 HydrophobicContact CB-CD2 4.37Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L43-L104 WeakPolarHBondContact O-CA 3.36Å; L43-A105 PolarHBondContact N-O 2.99Å; L43-A105 PolarHBondContact O-N 2.81Å; L43-R181 HydrophobicContact CD1-CB 3.81Å; L43-R181 HydrophobicContact CD1-CG 4.36Å; L43-I183 HydrophobicContact CB-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CD1 3.77Å; L43-I183 HydrophobicContact CD1-CG1 3.9Å; L43-I183 HydrophobicContact CG-CD1 3.91Å; L43-I183 HydrophobicContact CG-CG1 4.41Å; L43-I188 HydrophobicContact CD1-CD1 4.46Å; L43-I188 HydrophobicContact CD1-CG1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.82Å; L43-I188 HydrophobicContact CD2-CD1 3.87Å; L43-I188 HydrophobicContact CD2-CG2 4.38Å; L43-I188 HydrophobicContact CG-CD1 3.73Å; L43-I188 HydrophobicContact CG-CG1 4.04Å; L43-I188 HydrophobicContact CG-CG2 4.25Å |
| 44 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121 | 167.9 | 179.6 | 68.8 | 0 | 0 | 0 | 109 | M35 F36 L38 A57 I60 L102 L104 | M35-L44 CarbonylContact C-O 3.59Å; F36-L44 HydrophobicContact CB-CB 4.46Å; F36-L44 PolarHBondContact N-O 2.81Å; F36-L44 PolarHBondContact O-N 3.16Å; L38-L44 HydrophobicContact CD1-CB 3.8Å; L38-L44 HydrophobicContact CD1-CD2 4.48Å; L38-L44 HydrophobicContact CD2-CB 3.93Å; L38-L44 HydrophobicContact CD2-CD2 4.17Å; L38-L44 HydrophobicContact CG-CB 3.75Å; L44-A57 HydrophobicContact CD2-CB 4.14Å; L44-I60 HydrophobicContact CD2-CB 4.45Å; L44-I60 HydrophobicContact CD2-CG2 4.37Å; L44-L102 HydrophobicContact CD1-CB 4.04Å; L44-L102 HydrophobicContact CD1-CD1 4.35Å; L44-L102 HydrophobicContact CD1-CD2 4.31Å; L44-L102 HydrophobicContact CD1-CG 4.47Å; L44-L104 HydrophobicContact CD1-CB 4.28Å; L44-L104 HydrophobicContact CD1-CD1 4.48Å |
| 45 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.5 | 171.9 | -61.1 | 87.5 | 0 | 0 | 0 | 107.9 | L4 V15 A17 K34 M35 L43 L102 L103 | L4-L45 HydrophobicContact CD1-CB 3.7Å; L4-L45 HydrophobicContact CD2-CB 3.97Å; L4-L45 HydrophobicContact CD2-CD2 4.09Å; L4-L45 HydrophobicContact CG-CB 4.38Å; V15-L45 HydrophobicContact CB-CD1 4.03Å; V15-L45 HydrophobicContact CB-CD2 3.95Å; V15-L45 HydrophobicContact CG1-CD1 3.98Å; V15-L45 HydrophobicContact CG2-CD1 4.12Å; V15-L45 HydrophobicContact CG2-CD2 4.3Å; A17-L45 HydrophobicContact CB-CD2 4.31Å; K34-L45 WeakPolarHBondContact O-CA 3.45Å; M35-L45 HydrophobicContact CB-CG 4.46Å; M35-L45 HydrophobicContact CE-CD2 3.88Å; M35-L45 HydrophobicContact CG-CD2 3.83Å; M35-L45 HydrophobicContact CG-CG 3.85Å; M35-L45 HydrophobicContact SD-CD2 4.11Å; M35-L45 HydrophobicContact SD-CG 4.45Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.05Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.22Å; L45-L103 PolarHBondContact N-O 2.86Å; L45-L103 PolarHBondContact O-N 2.97Å |
| 46 | C | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.2 | -171.9 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | K34 F36 T53 A57 L102 | K34-C46 PolarHBondContact O-N 2.73Å; F36-C46 HydrophobicContact CD2-CB 4.23Å; F36-C46 HydrophobicContact CE2-CB 3.97Å; C46-T53 VanDerWaalsContact SG-CA 3.57Å; C46-T53 PolarHBondContact SG-O 3.47Å; C46-T53 VanDerWaalsContact SG-O 3.34Å; C46-A57 HydrophobicContact CB-CB 4.14Å; C46-L102 HydrophobicContact CB-CD2 3.71Å; C46-L102 WeakPolarHBondContact SG-CD2 3.43Å |
| 47 | V | 98.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.4 | 174.9 | -68.5 | 0 | 0 | 0 | 0 | 110.4 | E2 L4 K34 V100 N101 H132 | E2-V47 HydrophobicContact CB-CB 3.9Å; E2-V47 HydrophobicContact CB-CG1 3.41Å; E2-V47 VanDerWaalsContact CB-CG1 3.41Å; E2-V47 HydrophobicContact CG-CG1 4.19Å; E2-V47 VanDerWaalsContact OE2-CA 3.31Å; E2-V47 WeakPolarHBondContact OE2-CA 3.44Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.17Å; L4-V47 HydrophobicContact CD1-CB 4.28Å; L4-V47 HydrophobicContact CD1-CG1 3.76Å; L4-V47 HydrophobicContact CD1-CG2 3.67Å; L4-V47 HydrophobicContact CD2-CG1 3.63Å; L4-V47 HydrophobicContact CG-CB 4.42Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 4.01Å; K34-V47 HydrophobicContact CD-CG1 3.89Å; V47-V100 CarbonylContact O-C 3.57Å; V47-V100 WeakPolarHBondContact O-CA 3.46Å; V47-N101 HydrophobicContact CG2-CB 4.08Å; V47-N101 WeakPolarHBondContact CG2-O 3.47Å; V47-N101 PolarHBondContact N-O 2.89Å; V47-N101 PolarHBondContact O-N 2.83Å; V47-H132 HydrophobicContact CG2-CB 4.12Å |
| 48 | G | 97.1 | Very high | 97.5 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 33% | 0.33 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.7 | -143 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2 T53 H99 | E2-G48 PolarHBondContact OE2-N 3.15Å; G48-T53 VanDerWaalsContact N-CG2 3.33Å; G48-H99 WeakPolarHBondContact CA-O 3.14Å |
| 49 | E | 97.2 | Very high | 97.6 | Very high | 112 Ų | 112 | 38.7 Ų | 38.7 | 52% | 0.523 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -67.9 | 138.9 | -179.8 | -173.5 | 165 | 177.1 | 0 | 0 | 111.8 | G51 D52 T53 H99 | E49-G51 PolarHBondContact O-N 3.02Å; E49-D52 HydrophobicContact CB-CB 4.25Å; E49-D52 PolarHBondContact O-N 2.87Å; E49-T53 WeakPolarHBondContact O-CG2 3.33Å; E49-T53 PolarHBondContact O-N 3.14Å; E49-T53 PolarHBondContact O-OG1 3.43Å; E49-T53 VanDerWaalsContact O-OG1 3.06Å; E49-H99 HydrophobicContact CB-CB 4.01Å; E49-H99 PolarHBondContact N-O 3.07Å |
| 50 | A | 95.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 38.6 Ų | 38.6 | 78% | 0.777 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 132.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D52 | A50-D52 PolarHBondContact O-N 2.84Š|
| 51 | G | 96.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 36 Ų | 36 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | -61.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E49 T53 V54 Q55 | E49-G51 PolarHBondContact O-N 3.02Å; G51-T53 VanDerWaalsContact C-N 3.31Å; G51-T53 PolarHBondContact O-N 3.09Å; G51-V54 PolarHBondContact O-N 2.57Å; G51-Q55 WeakPolarHBondContact O-CB 3.25Å; G51-Q55 VanDerWaalsContact O-CG 3.26Å; G51-Q55 WeakPolarHBondContact O-CG 3.47Å; G51-Q55 PolarHBondContact O-N 2.88Å |
| 52 | D | 97.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.193 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.3 | -45.8 | 179.4 | -78.8 | 9.2 | 0 | 0 | 0 | 112.6 | E49 A50 V54 Q55 F56 Y98 H99 V100 | E49-D52 HydrophobicContact CB-CB 4.25Å; E49-D52 PolarHBondContact O-N 2.87Å; A50-D52 PolarHBondContact O-N 2.84Å; D52-V54 PolarHBondContact O-N 3.09Å; D52-Q55 PolarHBondContact O-N 3.24Å; D52-F56 WeakPolarHBondContact O-CB 3.32Å; D52-F56 PolarHBondContact O-N 2.85Å; D52-Y98 HydrophobicContact CB-CD1 4.09Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.4Å; D52-H99 PolarHBondContact OD2-N 2.73Å; D52-V100 HydrophobicContact CB-CG1 3.99Å |
| 53 | T | 97.6 | Very high | 98 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -52.9 | -51.3 | 179.5 | 41.4 | 0 | 0 | 0 | 0 | 112.8 | C46 G48 E49 G51 A57 V100 | C46-T53 VanDerWaalsContact SG-CA 3.57Å; C46-T53 PolarHBondContact SG-O 3.47Å; C46-T53 VanDerWaalsContact SG-O 3.34Å; G48-T53 VanDerWaalsContact N-CG2 3.33Å; E49-T53 WeakPolarHBondContact O-CG2 3.33Å; E49-T53 PolarHBondContact O-N 3.14Å; E49-T53 PolarHBondContact O-OG1 3.43Å; E49-T53 VanDerWaalsContact O-OG1 3.06Å; G51-T53 VanDerWaalsContact C-N 3.31Å; G51-T53 PolarHBondContact O-N 3.09Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.36Å; T53-V100 HydrophobicContact CG2-CG1 3.99Å |
| 54 | V | 97.9 | Very high | 97.9 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 29% | 0.285 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.8 | -47.2 | -178.4 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | G51 D52 F56 A57 E58 | G51-V54 PolarHBondContact O-N 2.57Å; D52-V54 PolarHBondContact O-N 3.09Å; V54-F56 VanDerWaalsContact C-N 3.34Å; V54-F56 PolarHBondContact O-N 2.93Å; V54-A57 PolarHBondContact O-N 3.16Å; V54-E58 HydrophobicContact CG1-CG 4.24Å; V54-E58 WeakPolarHBondContact O-CB 3.38Å; V54-E58 WeakPolarHBondContact O-CG 3.03Å; V54-E58 PolarHBondContact O-N 3.38Å |
| 55 | Q | 98.3 | Very high | 97.9 | Very high | 126 Ų | 126 | 44.7 Ų | 44.7 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.2 | -46.7 | -179 | -69.7 | -69 | -0.4 | 0 | 0 | 111.5 | G51 D52 Y59 Y98 | G51-Q55 WeakPolarHBondContact O-CB 3.25Å; G51-Q55 VanDerWaalsContact O-CG 3.26Å; G51-Q55 WeakPolarHBondContact O-CG 3.47Å; G51-Q55 PolarHBondContact O-N 2.88Å; D52-Q55 PolarHBondContact O-N 3.24Å; Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.07Å; Q55-Y98 HydrophobicContact CB-CE1 4.24Å |
| 56 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.3 | -46.9 | 179.9 | -172.1 | -99.7 | 0 | 0 | 0 | 111.8 | D52 V54 E58 Y59 I60 T84 N87 L88 Y98 V100 L102 | D52-F56 WeakPolarHBondContact O-CB 3.32Å; D52-F56 PolarHBondContact O-N 2.85Å; V54-F56 VanDerWaalsContact C-N 3.34Å; V54-F56 PolarHBondContact O-N 2.93Å; F56-E58 PolarHBondContact O-N 2.78Å; F56-Y59 PolarHBondContact O-N 3.01Å; F56-I60 HydrophobicContact CD1-CG1 4.22Å; F56-I60 HydrophobicContact CE1-CD1 4.37Å; F56-I60 HydrophobicContact CE1-CG1 3.78Å; F56-I60 HydrophobicContact CE2-CD1 4.38Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.97Å; F56-I60 HydrophobicContact CZ-CG1 3.88Å; F56-I60 WeakPolarHBondContact O-CG1 3.39Å; F56-I60 PolarHBondContact O-N 2.8Å; F56-T84 HydrophobicContact CE1-CG2 3.81Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; F56-N87 HydrophobicContact CE2-CB 4.21Å; F56-N87 HydrophobicContact CZ-CB 4.41Å; F56-L88 HydrophobicContact CE1-CD1 4.46Å; F56-L88 HydrophobicContact CE2-CB 4.23Å; F56-L88 HydrophobicContact CE2-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CB 3.76Å; F56-L88 HydrophobicContact CZ-CD1 4.09Å; F56-L88 HydrophobicContact CZ-CG 4.43Å; F56-Y98 HydrophobicContact CB-CD1 3.84Å; F56-Y98 HydrophobicContact CB-CE1 4.18Å; F56-Y98 HydrophobicContact CB-CG 4.09Å; F56-Y98 HydrophobicContact CD2-CD1 4.22Å; F56-Y98 AromaticContact CD2-CD2 3.54Å; F56-Y98 HydrophobicContact CD2-CD2 3.54Å; F56-Y98 AromaticContact CD2-CE2 3.9Å; F56-Y98 HydrophobicContact CD2-CE2 3.9Å; F56-Y98 AromaticContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CE2-CD2 4.13Å; F56-Y98 HydrophobicContact CG-CD1 4.43Å; F56-Y98 HydrophobicContact CG-CD2 4.45Å; F56-Y98 HydrophobicContact CG-CG 4.2Å; F56-V100 HydrophobicContact CD1-CG2 3.88Å; F56-V100 HydrophobicContact CE1-CG2 4.3Å; F56-V100 HydrophobicContact CG-CG2 4.27Å; F56-L102 HydrophobicContact CD1-CD1 4.25Å; F56-L102 HydrophobicContact CE1-CD1 3.69Å |
| 57 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F36 L44 C46 T53 V54 I60 Q61 | F36-A57 HydrophobicContact CD1-CB 3.92Å; F36-A57 HydrophobicContact CD2-CB 3.58Å; F36-A57 HydrophobicContact CE1-CB 3.93Å; F36-A57 HydrophobicContact CE2-CB 3.61Å; F36-A57 HydrophobicContact CG-CB 3.75Å; F36-A57 HydrophobicContact CZ-CB 3.78Å; L44-A57 HydrophobicContact CD2-CB 4.14Å; C46-A57 HydrophobicContact CB-CB 4.14Å; T53-A57 WeakPolarHBondContact O-CB 3.42Å; T53-A57 PolarHBondContact O-N 3.36Å; V54-A57 PolarHBondContact O-N 3.16Å; A57-I60 PolarHBondContact O-N 3.02Å; A57-Q61 WeakPolarHBondContact O-CB 3.39Å; A57-Q61 PolarHBondContact O-N 2.86Å |
| 58 | E | 98.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 176.4 | -71 | -170.4 | 179.8 | 0 | 0 | 112 | F36 V54 F56 I60 Q61 K62 | F36-E58 HydrophobicContact CE1-CG 4.36Å; V54-E58 HydrophobicContact CG1-CG 4.24Å; V54-E58 WeakPolarHBondContact O-CB 3.38Å; V54-E58 WeakPolarHBondContact O-CG 3.03Å; V54-E58 PolarHBondContact O-N 3.38Å; F56-E58 PolarHBondContact O-N 2.78Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.84Å; E58-Q61 WeakPolarHBondContact O-CB 3.45Å; E58-Q61 PolarHBondContact O-N 3.48Å; E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3.23Å |
| 59 | Y | 98.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.3 | -48.2 | 174.2 | 172.9 | -94.3 | 0 | 0 | 0 | 111.5 | Q55 F56 N63 N87 | Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.07Å; F56-Y59 PolarHBondContact O-N 3.01Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.4Å; Y59-N63 PolarHBondContact O-ND2 3.44Å; Y59-N87 HydrophobicContact CE1-CB 4.41Å; Y59-N87 PolarHBondContact OH-OD1 3.28Å |
| 60 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 176 | -63.9 | -60 | 0 | 0 | 0 | 110.4 | L38 L44 F56 A57 E58 K62 N63 V64 F83 T84 N87 | L38-I60 HydrophobicContact CD1-CG2 4.05Å; L38-I60 HydrophobicContact CD2-CG2 4.13Å; L44-I60 HydrophobicContact CD2-CB 4.45Å; L44-I60 HydrophobicContact CD2-CG2 4.37Å; F56-I60 HydrophobicContact CD1-CG1 4.22Å; F56-I60 HydrophobicContact CE1-CD1 4.37Å; F56-I60 HydrophobicContact CE1-CG1 3.78Å; F56-I60 HydrophobicContact CE2-CD1 4.38Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.97Å; F56-I60 HydrophobicContact CZ-CG1 3.88Å; F56-I60 WeakPolarHBondContact O-CG1 3.39Å; F56-I60 PolarHBondContact O-N 2.8Å; A57-I60 PolarHBondContact O-N 3.02Å; E58-I60 VanDerWaalsContact C-N 3.33Å; E58-I60 PolarHBondContact O-N 2.84Å; I60-K62 PolarHBondContact O-N 3.13Å; I60-N63 PolarHBondContact O-N 3.14Å; I60-V64 HydrophobicContact CG2-CG2 4.22Å; I60-V64 WeakPolarHBondContact O-CG2 3.4Å; I60-V64 PolarHBondContact O-N 3.27Å; I60-F83 HydrophobicContact CD1-CD1 4.14Å; I60-F83 HydrophobicContact CD1-CE1 3.8Å; I60-T84 HydrophobicContact CD1-CG2 4.44Å; I60-T84 HydrophobicContact CG1-CG2 4.28Å; I60-N87 HydrophobicContact CD1-CB 4.09Å |
| 61 | Q | 98.2 | Very high | 98 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.5 | -48.7 | 178.8 | -171.5 | -170 | 51.5 | 0 | 0 | 112.4 | K37 L38 A57 E58 N63 V64 Q65 | K37-Q61 WeakPolarHBondContact O-CG 3.41Å; K37-Q61 PolarHBondContact O-NE2 3.43Å; L38-Q61 HydrophobicContact CD2-CB 3.85Å; L38-Q61 HydrophobicContact CD2-CG 4.25Å; A57-Q61 WeakPolarHBondContact O-CB 3.39Å; A57-Q61 PolarHBondContact O-N 2.86Å; E58-Q61 WeakPolarHBondContact O-CB 3.45Å; E58-Q61 PolarHBondContact O-N 3.48Å; Q61-N63 PolarHBondContact O-N 3.09Å; Q61-V64 PolarHBondContact O-N 3.29Å; Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.98Å |
| 62 | K | 98.4 | Very high | 97.9 | Very high | 122 Ų | 122 | 64.5 Ų | 64.5 | 53% | 0.53 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.8 | -35.9 | -177.6 | -59.1 | -40.1 | 173.3 | -161.6 | 0 | 112.1 | E58 I60 Q65 L66 | E58-K62 WeakPolarHBondContact O-CG 3.46Å; E58-K62 PolarHBondContact O-N 3.23Å; I60-K62 PolarHBondContact O-N 3.13Å; K62-Q65 PolarHBondContact O-N 2.9Å; K62-L66 VanDerWaalsContact O-CB 3.25Å; K62-L66 WeakPolarHBondContact O-CB 3.48Å; K62-L66 PolarHBondContact O-N 2.97Å |
| 63 | N | 98.4 | Very high | 97.7 | Very high | 50 Ų | 50 | 69.3 Ų | 69.3 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 176.8 | -78.9 | -77.7 | 0 | 0 | 0 | 112.7 | Y59 I60 Q61 L66 Y67 F83 | Y59-N63 WeakPolarHBondContact CE2-ND2 3.44Å; Y59-N63 PolarHBondContact O-N 3.4Å; Y59-N63 PolarHBondContact O-ND2 3.44Å; I60-N63 PolarHBondContact O-N 3.14Å; Q61-N63 PolarHBondContact O-N 3.09Å; N63-L66 PolarHBondContact O-N 3.3Å; N63-Y67 PolarHBondContact O-N 2.84Å; N63-F83 HydrophobicContact CB-CE1 3.79Å; N63-F83 HydrophobicContact CB-CZ 3.67Å |
| 64 | V | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L38 I60 Q61 Y67 K68 L75 | L38-V64 HydrophobicContact CB-CG1 4.24Å; L38-V64 HydrophobicContact CD1-CG2 4.46Å; I60-V64 HydrophobicContact CG2-CG2 4.22Å; I60-V64 WeakPolarHBondContact O-CG2 3.4Å; I60-V64 PolarHBondContact O-N 3.27Å; Q61-V64 PolarHBondContact O-N 3.29Å; V64-Y67 WeakPolarHBondContact O-CB 3.42Å; V64-Y67 PolarHBondContact O-N 2.82Å; V64-K68 PolarHBondContact O-N 2.93Å; V64-K68 VanDerWaalsContact O-N 3.17Å; V64-L75 HydrophobicContact CG1-CD1 4.31Å; V64-L75 HydrophobicContact CG2-CD1 4.1Å |
| 65 | Q | 97.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 24% | 0.238 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 175.2 | -72.2 | -65.4 | -34.7 | 0 | 0 | 112.2 | L38 Q61 K62 Y67 K68 M69 | L38-Q65 PolarHBondContact O-NE2 3.4Å; Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.98Å; K62-Q65 PolarHBondContact O-N 2.9Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.93Å; Q65-K68 WeakPolarHBondContact O-CB 3.44Å; Q65-K68 PolarHBondContact O-N 3.25Å; Q65-M69 WeakPolarHBondContact O-CG 3.35Å; Q65-M69 PolarHBondContact O-N 2.68Å |
| 66 | L | 98.3 | Very high | 97.5 | Very high | 85 Ų | 85 | 66.4 Ų | 66.4 | 45% | 0.445 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 174.6 | 178.5 | 62.4 | 0 | 0 | 0 | 111.7 | K62 N63 K68 M69 R70 | K62-L66 VanDerWaalsContact O-CB 3.25Å; K62-L66 WeakPolarHBondContact O-CB 3.48Å; K62-L66 PolarHBondContact O-N 2.97Å; N63-L66 PolarHBondContact O-N 3.3Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.49Å; L66-M69 PolarHBondContact O-N 3.48Å; L66-R70 HydrophobicContact CD1-CG 4.05Å; L66-R70 HydrophobicContact CG-CG 4.4Å; L66-R70 WeakPolarHBondContact O-CB 3.49Å; L66-R70 WeakPolarHBondContact O-CG 3.28Å; L66-R70 PolarHBondContact O-N 3.01Å |
| 67 | Y | 98.3 | Very high | 97.4 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 175.1 | -176.7 | -80.9 | 0 | 0 | 0 | 111.2 | N63 V64 Q65 M69 R70 N71 Y73 L75 | N63-Y67 PolarHBondContact O-N 2.84Å; V64-Y67 WeakPolarHBondContact O-CB 3.42Å; V64-Y67 PolarHBondContact O-N 2.82Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.93Å; Y67-M69 PolarHBondContact O-N 3.17Å; Y67-R70 PolarHBondContact O-N 3.42Å; Y67-N71 WeakPolarHBondContact CD1-ND2 3.44Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.26Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.48Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.45Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.46Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.29Å; Y67-N71 WeakPolarHBondContact O-CB 3.42Å; Y67-N71 PolarHBondContact O-N 3.19Å; Y67-N71 PolarHBondContact O-ND2 3.49Å; Y67-Y73 HydrophobicContact CE1-CD2 4.18Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 WeakPolarHBondContact OH-CE2 3.45Å; Y67-Y73 PolarHBondContact OH-OH 3.2Å; Y67-L75 HydrophobicContact CD1-CD1 4.44Å; Y67-L75 HydrophobicContact CD1-CD2 3.72Å; Y67-L75 HydrophobicContact CD1-CG 3.63Å; Y67-L75 HydrophobicContact CD2-CD2 3.96Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.53Å; Y67-L75 HydrophobicContact CE1-CG 3.91Å; Y67-L75 HydrophobicContact CE2-CD2 3.78Å; Y67-L75 HydrophobicContact CG-CD1 4.23Å; Y67-L75 HydrophobicContact CG-CD2 3.93Å; Y67-L75 HydrophobicContact CG-CG 3.88Å |
| 68 | K | 97.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 68.9 Ų | 68.9 | 27% | 0.265 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 176.2 | -178.6 | -174.3 | -177.7 | 167.9 | 0 | 111.7 | V64 Q65 L66 R70 G72 Y73 E74 | V64-K68 PolarHBondContact O-N 2.93Å; V64-K68 VanDerWaalsContact O-N 3.17Å; Q65-K68 WeakPolarHBondContact O-CB 3.44Å; Q65-K68 PolarHBondContact O-N 3.25Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 3.49Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.95Å; K68-G72 WeakPolarHBondContact O-CA 3.45Å; K68-G72 PolarHBondContact O-N 3.37Å; K68-Y73 WeakPolarHBondContact CA-O 3.45Å; K68-E74 HydrophobicContact CD-CG 3.84Å; K68-E74 VanDerWaalsContact CE-OE1 3.31Å; K68-E74 WeakPolarHBondContact CE-OE1 3.34Å; K68-E74 HydrophobicContact CG-CG 4.08Å; K68-E74 IonicContact NZ-OE1 2.74Å; K68-E74 PolarHBondContact NZ-OE1 3.46Å |
| 69 | M | 97.5 | Very high | 97.3 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 71% | 0.714 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66 | -33.4 | -179.1 | -63.9 | -60.7 | 177.5 | 0 | 0 | 113 | Q65 L66 Y67 | Q65-M69 WeakPolarHBondContact O-CG 3.35Å; Q65-M69 PolarHBondContact O-N 2.68Å; L66-M69 PolarHBondContact O-N 3.48Å; Y67-M69 PolarHBondContact O-N 3.17Å |
| 70 | R | 98.1 | Very high | 97.3 | Very high | 194 Ų | 194 | 62.5 Ų | 62.5 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -78.8 | -36.8 | -179.5 | -73.1 | 179.1 | 68.7 | 174.3 | 1.7 | 113.5 | L66 Y67 K68 | L66-R70 HydrophobicContact CD1-CG 4.05Å; L66-R70 HydrophobicContact CG-CG 4.4Å; L66-R70 WeakPolarHBondContact O-CB 3.49Å; L66-R70 WeakPolarHBondContact O-CG 3.28Å; L66-R70 PolarHBondContact O-N 3.01Å; Y67-R70 PolarHBondContact O-N 3.42Å; K68-R70 VanDerWaalsContact C-N 3.32Å; K68-R70 PolarHBondContact O-N 2.95Å |
| 71 | N | 97.3 | Very high | 97.3 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -105.3 | -16.1 | -171.7 | -59.7 | -59.6 | 0 | 0 | 0 | 113.8 | Y67 Y73 | Y67-N71 WeakPolarHBondContact CD1-ND2 3.44Å; Y67-N71 VanDerWaalsContact CD2-ND2 3.26Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.48Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.45Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.46Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.29Å; Y67-N71 WeakPolarHBondContact O-CB 3.42Å; Y67-N71 PolarHBondContact O-N 3.19Å; Y67-N71 PolarHBondContact O-ND2 3.49Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 4.08Å; N71-Y73 HydrophobicContact CB-CE1 3.71Å; N71-Y73 VanDerWaalsContact O-CD1 3.29Å; N71-Y73 WeakPolarHBondContact O-CD1 3.16Å |
| 72 | G | 95.4 | Very high | 97.3 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 73% | 0.732 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 82.4 | 2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K68 | K68-G72 WeakPolarHBondContact O-CA 3.45Å; K68-G72 PolarHBondContact O-N 3.37Å |
| 73 | Y | 94.3 | Very high | 97.3 | Very high | 136 Ų | 136 | 61.6 Ų | 61.6 | 53% | 0.533 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -141.7 | 157.8 | 176.3 | 60.4 | -91.9 | 0 | 0 | 0 | 111.4 | Y67 K68 N71 | Y67-Y73 HydrophobicContact CE1-CD2 4.18Å; Y67-Y73 AromaticContact CE1-CE2 3.76Å; Y67-Y73 HydrophobicContact CE1-CE2 3.76Å; Y67-Y73 WeakPolarHBondContact OH-CE2 3.45Å; Y67-Y73 PolarHBondContact OH-OH 3.2Å; K68-Y73 WeakPolarHBondContact CA-O 3.45Å; N71-Y73 VanDerWaalsContact C-N 3.32Å; N71-Y73 HydrophobicContact CB-CD1 4.08Å; N71-Y73 HydrophobicContact CB-CE1 3.71Å; N71-Y73 VanDerWaalsContact O-CD1 3.29Å; N71-Y73 WeakPolarHBondContact O-CD1 3.16Å |
| 74 | E | 94.9 | Very high | 97.3 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 156.4 | -177.5 | -55.4 | -163.3 | 156.3 | 0 | 0 | 112.4 | S39 E40 K68 | S39-E74 WeakPolarHBondContact CB-OE2 3.21Å; S39-E74 PolarHBondContact OG-OE2 2.92Å; E40-E74 PolarHBondContact N-OE2 3.01Å; K68-E74 HydrophobicContact CD-CG 3.84Å; K68-E74 VanDerWaalsContact CE-OE1 3.31Å; K68-E74 WeakPolarHBondContact CE-OE1 3.34Å; K68-E74 HydrophobicContact CG-CG 4.08Å; K68-E74 IonicContact NZ-OE1 2.74Å; K68-E74 PolarHBondContact NZ-OE1 3.46Å |
| 75 | L | 96.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 144.6 | 168.5 | -72.5 | 171.4 | 0 | 0 | 0 | 110 | I42 V64 Y67 A79 A80 | I42-L75 VanDerWaalsContact CD1-O 3.24Å; I42-L75 WeakPolarHBondContact CD1-O 3.3Å; V64-L75 HydrophobicContact CG1-CD1 4.31Å; V64-L75 HydrophobicContact CG2-CD1 4.1Å; Y67-L75 HydrophobicContact CD1-CD1 4.44Å; Y67-L75 HydrophobicContact CD1-CD2 3.72Å; Y67-L75 HydrophobicContact CD1-CG 3.63Å; Y67-L75 HydrophobicContact CD2-CD2 3.96Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.53Å; Y67-L75 HydrophobicContact CE1-CG 3.91Å; Y67-L75 HydrophobicContact CE2-CD2 3.78Å; Y67-L75 HydrophobicContact CG-CD1 4.23Å; Y67-L75 HydrophobicContact CG-CD2 3.93Å; Y67-L75 HydrophobicContact CG-CG 3.88Å; L75-A79 HydrophobicContact CB-CB 4.41Å; L75-A79 HydrophobicContact CD2-CB 4.05Å; L75-A80 HydrophobicContact CB-CB 4.45Å |
| 76 | S | 96.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 66 Ų | 66 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 155.3 | 167.1 | 71.8 | 0 | 0 | 0 | 0 | 110.6 | S78 A79 A80 | S76-S78 PolarHBondContact O-N 3.24Å; S76-A79 PolarHBondContact O-N 2.89Å; S76-A79 WeakPolarHBondContact OG-CB 3.29Å; S76-A79 PolarHBondContact OG-N 3.22Å; S76-A80 PolarHBondContact O-N 3.05Å |
| 77 | P | 97.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.5 | -38.7 | 176.5 | -25.4 | 34 | 0 | 0 | 0 | 112.9 | I42 A80 A81 L104 D108 F116 | I42-P77 HydrophobicContact CD1-CG 4.34Å; I42-P77 HydrophobicContact CG1-CG 4.15Å; P77-A80 PolarHBondContact O-N 3.33Å; P77-A81 WeakPolarHBondContact O-CB 3.48Å; P77-A81 PolarHBondContact O-N 2.91Å; P77-L104 HydrophobicContact CB-CD2 4.28Å; P77-D108 HydrophobicContact CG-CB 4.22Å; P77-F116 HydrophobicContact CB-CE2 4.05Å |
| 78 | S | 97.5 | Very high | 97.4 | Very high | 47 Ų | 47 | 59.2 Ų | 59.2 | 33% | 0.329 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | S76 A81 N82 | S76-S78 PolarHBondContact O-N 3.24Å; S78-A81 PolarHBondContact O-N 2.81Å; S78-N82 PolarHBondContact O-N 2.8Å; S78-N82 PolarHBondContact O-ND2 2.93Å |
| 79 | A | 97.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L75 S76 A81 N82 F83 | L75-A79 HydrophobicContact CB-CB 4.41Å; L75-A79 HydrophobicContact CD2-CB 4.05Å; S76-A79 PolarHBondContact O-N 2.89Å; S76-A79 WeakPolarHBondContact OG-CB 3.29Å; S76-A79 PolarHBondContact OG-N 3.22Å; A79-A81 PolarHBondContact O-N 2.95Å; A79-N82 PolarHBondContact O-N 2.97Å; A79-F83 WeakPolarHBondContact O-CB 3.4Å; A79-F83 PolarHBondContact O-N 2.99Å |
| 80 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I42 L75 S76 P77 F83 T84 L104 | I42-A80 HydrophobicContact CD1-CB 3.97Å; L75-A80 HydrophobicContact CB-CB 4.45Å; S76-A80 PolarHBondContact O-N 3.05Å; P77-A80 PolarHBondContact O-N 3.33Å; A80-F83 PolarHBondContact O-N 2.75Å; A80-T84 WeakPolarHBondContact O-CB 3.24Å; A80-T84 PolarHBondContact O-N 3.41Å; A80-T84 PolarHBondContact O-OG1 2.82Å; A80-L104 HydrophobicContact CB-CD1 4.04Å |
| 81 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P77 S78 A79 T84 R85 L104 F116 M118 L124 | P77-A81 WeakPolarHBondContact O-CB 3.48Å; P77-A81 PolarHBondContact O-N 2.91Å; S78-A81 PolarHBondContact O-N 2.81Å; A79-A81 PolarHBondContact O-N 2.95Å; A81-T84 PolarHBondContact O-N 2.76Å; A81-R85 WeakPolarHBondContact O-CB 3.41Å; A81-R85 PolarHBondContact O-N 2.69Å; A81-L104 HydrophobicContact CB-CD1 4.3Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; A81-F116 HydrophobicContact CB-CB 4.14Å; A81-F116 HydrophobicContact CB-CD1 3.99Å; A81-F116 HydrophobicContact CB-CD2 3.99Å; A81-F116 HydrophobicContact CB-CE1 4.39Å; A81-F116 HydrophobicContact CB-CE2 4.39Å; A81-F116 HydrophobicContact CB-CG 3.77Å; A81-M118 WeakPolarHBondContact O-CE 3.3Å; A81-L124 HydrophobicContact CB-CD1 4.1Å; A81-L124 HydrophobicContact CB-CD2 4.12Å |
| 82 | N | 98.5 | Very high | 97.5 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 177.4 | -79.6 | -72.4 | 0 | 0 | 0 | 112.8 | S78 A79 R85 K86 | S78-N82 PolarHBondContact O-N 2.8Å; S78-N82 PolarHBondContact O-ND2 2.93Å; A79-N82 PolarHBondContact O-N 2.97Å; N82-R85 PolarHBondContact O-N 3.44Å; N82-K86 WeakPolarHBondContact O-CB 3.49Å; N82-K86 PolarHBondContact O-N 2.85Å |
| 83 | F | 98.6 | Very high | 97.5 | Very high | 67 Ų | 67 | 55.3 Ų | 55.3 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 173.4 | 175.5 | -103.3 | 0 | 0 | 0 | 111.6 | I60 N63 A79 A80 K86 N87 | I60-F83 HydrophobicContact CD1-CD1 4.14Å; I60-F83 HydrophobicContact CD1-CE1 3.8Å; N63-F83 HydrophobicContact CB-CE1 3.79Å; N63-F83 HydrophobicContact CB-CZ 3.67Å; A79-F83 WeakPolarHBondContact O-CB 3.4Å; A79-F83 PolarHBondContact O-N 2.99Å; A80-F83 PolarHBondContact O-N 2.75Å; F83-K86 PolarHBondContact O-N 3.08Å; F83-N87 VanDerWaalsContact CE2-ND2 3.3Å; F83-N87 WeakPolarHBondContact CE2-ND2 2.94Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.38Å; F83-N87 PolarHBondContact O-N 3.14Å; F83-N87 VanDerWaalsContact O-N 3.16Å; F83-N87 PolarHBondContact O-ND2 2.67Å |
| 84 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 177 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | F56 I60 A80 A81 K86 N87 L88 L102 M118 | F56-T84 HydrophobicContact CE1-CG2 3.81Å; F56-T84 HydrophobicContact CZ-CG2 4.14Å; I60-T84 HydrophobicContact CD1-CG2 4.44Å; I60-T84 HydrophobicContact CG1-CG2 4.28Å; A80-T84 WeakPolarHBondContact O-CB 3.24Å; A80-T84 PolarHBondContact O-N 3.41Å; A80-T84 PolarHBondContact O-OG1 2.82Å; A81-T84 PolarHBondContact O-N 2.76Å; T84-K86 VanDerWaalsContact C-N 3.33Å; T84-K86 PolarHBondContact O-N 2.93Å; T84-N87 PolarHBondContact O-N 2.88Å; T84-L88 PolarHBondContact O-N 3.25Å; T84-L102 HydrophobicContact CG2-CD1 3.64Å; T84-M118 HydrophobicContact CG2-CE 3.99Å; T84-M118 HydrophobicContact CG2-SD 4.16Å |
| 85 | R | 98.6 | Very high | 97.7 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.3 | -44.5 | 177.2 | -167.9 | -167.1 | 68.2 | 78.1 | -2.6 | 112.1 | A81 N82 L88 A89 M118 A122 L124 | A81-R85 WeakPolarHBondContact O-CB 3.41Å; A81-R85 PolarHBondContact O-N 2.69Å; N82-R85 PolarHBondContact O-N 3.44Å; R85-L88 PolarHBondContact O-N 2.89Å; R85-A89 VanDerWaalsContact O-CB 3.22Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.34Å; R85-M118 HydrophobicContact CB-CE 3.64Å; R85-M118 HydrophobicContact CB-SD 4.14Å; R85-M118 HydrophobicContact CG-CE 4.31Å; R85-M118 HydrophobicContact CG-SD 4.45Å; R85-A122 WeakPolarHBondContact CD-O 3.32Å; R85-A122 HydrophobicContact CG-CB 4.29Å; R85-A122 WeakPolarHBondContact CG-O 3.37Å; R85-L124 HydrophobicContact CB-CD2 4.4Å; R85-L124 HydrophobicContact CG-CB 4.03Å |
| 86 | K | 98.4 | Very high | 97.8 | Very high | 107 Ų | 107 | 63 Ų | 63 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | -179 | 178.6 | 55.9 | 175.4 | 152.3 | 0 | 111.1 | N82 F83 T84 A89 D90 | N82-K86 WeakPolarHBondContact O-CB 3.49Å; N82-K86 PolarHBondContact O-N 2.85Å; F83-K86 PolarHBondContact O-N 3.08Å; T84-K86 VanDerWaalsContact C-N 3.33Å; T84-K86 PolarHBondContact O-N 2.93Å; K86-A89 PolarHBondContact O-N 3.06Å; K86-D90 WeakPolarHBondContact CD-OD2 3.38Å; K86-D90 WeakPolarHBondContact CE-OD2 3.46Å; K86-D90 VanDerWaalsContact NZ-CG 3.25Å; K86-D90 IonicContact NZ-OD1 2.81Å; K86-D90 PolarHBondContact NZ-OD1 3.12Å; K86-D90 IonicContact NZ-OD2 3.93Å; K86-D90 PolarHBondContact NZ-OD2 3Å; K86-D90 WeakPolarHBondContact O-CB 3.31Å; K86-D90 PolarHBondContact O-N 3.29Å |
| 87 | N | 98.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 177.3 | -73.7 | -79.5 | 0 | 0 | 0 | 111.4 | F56 Y59 I60 F83 T84 A89 D90 Y91 | F56-N87 HydrophobicContact CE2-CB 4.21Å; F56-N87 HydrophobicContact CZ-CB 4.41Å; Y59-N87 HydrophobicContact CE1-CB 4.41Å; Y59-N87 PolarHBondContact OH-OD1 3.28Å; I60-N87 HydrophobicContact CD1-CB 4.09Å; F83-N87 VanDerWaalsContact CE2-ND2 3.3Å; F83-N87 WeakPolarHBondContact CE2-ND2 2.94Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.38Å; F83-N87 PolarHBondContact O-N 3.14Å; F83-N87 VanDerWaalsContact O-N 3.16Å; F83-N87 PolarHBondContact O-ND2 2.67Å; T84-N87 PolarHBondContact O-N 2.88Å; N87-A89 VanDerWaalsContact C-N 3.29Å; N87-A89 PolarHBondContact O-N 2.83Å; N87-D90 PolarHBondContact O-N 3.02Å; N87-Y91 VanDerWaalsContact O-CD2 3.28Å; N87-Y91 WeakPolarHBondContact O-CD2 3.33Å; N87-Y91 PolarHBondContact O-N 2.68Å |
| 88 | L | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 179.7 | -169.2 | 59.3 | 0 | 0 | 0 | 111.7 | F56 T84 R85 L92 V100 L102 M118 A122 | F56-L88 HydrophobicContact CE1-CD1 4.46Å; F56-L88 HydrophobicContact CE2-CB 4.23Å; F56-L88 HydrophobicContact CE2-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CB 3.76Å; F56-L88 HydrophobicContact CZ-CD1 4.09Å; F56-L88 HydrophobicContact CZ-CG 4.43Å; T84-L88 PolarHBondContact O-N 3.25Å; R85-L88 PolarHBondContact O-N 2.89Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 PolarHBondContact O-N 3.33Å; L88-V100 HydrophobicContact CD1-CG2 3.63Å; L88-V100 HydrophobicContact CD2-CG2 4.2Å; L88-L102 HydrophobicContact CD2-CD1 4.33Å; L88-M118 HydrophobicContact CB-SD 4.48Å; L88-M118 HydrophobicContact CD2-CG 4.21Å; L88-M118 HydrophobicContact CD2-SD 3.75Å; L88-A122 HydrophobicContact CB-CB 3.86Å; L88-A122 HydrophobicContact CD2-CB 4.05Å; L88-A122 HydrophobicContact CG-CB 3.89Å |
| 89 | A | 98.3 | Very high | 97.8 | Very high | 27 Ų | 27 | 68 Ų | 68 | 22% | 0.223 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R85 K86 N87 L92 A122 | R85-A89 VanDerWaalsContact O-CB 3.22Å; R85-A89 WeakPolarHBondContact O-CB 3.31Å; R85-A89 PolarHBondContact O-N 3.34Å; K86-A89 PolarHBondContact O-N 3.06Å; N87-A89 VanDerWaalsContact C-N 3.29Å; N87-A89 PolarHBondContact O-N 2.83Å; A89-L92 WeakPolarHBondContact O-CB 3.14Å; A89-L92 PolarHBondContact O-N 2.73Å; A89-A122 HydrophobicContact CB-CB 3.69Å |
| 90 | D | 97.9 | Very high | 97.9 | Very high | 87 Ų | 87 | 66.1 Ų | 66.1 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 179.7 | -72.1 | -14.9 | 0 | 0 | 0 | 111 | K86 N87 | K86-D90 WeakPolarHBondContact CD-OD2 3.38Å; K86-D90 WeakPolarHBondContact CE-OD2 3.46Å; K86-D90 VanDerWaalsContact NZ-CG 3.25Å; K86-D90 IonicContact NZ-OD1 2.81Å; K86-D90 PolarHBondContact NZ-OD1 3.12Å; K86-D90 IonicContact NZ-OD2 3.93Å; K86-D90 PolarHBondContact NZ-OD2 3Å; K86-D90 WeakPolarHBondContact O-CB 3.31Å; K86-D90 PolarHBondContact O-N 3.29Å; N87-D90 PolarHBondContact O-N 3.02Å |
| 91 | Y | 97.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -75.7 | -22.5 | 174.7 | -79.5 | -80.6 | 0 | 0 | 0 | 113.6 | N87 R93 S94 P97 Y98 | N87-Y91 VanDerWaalsContact O-CD2 3.28Å; N87-Y91 WeakPolarHBondContact O-CD2 3.33Å; N87-Y91 PolarHBondContact O-N 2.68Å; Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.9Å; Y91-R93 VanDerWaalsContact O-N 3.15Å; Y91-S94 VanDerWaalsContact O-CB 3.28Å; Y91-S94 WeakPolarHBondContact O-CB 3.38Å; Y91-S94 PolarHBondContact O-N 3.26Å; Y91-S94 PolarHBondContact O-OG 3.36Å; Y91-P97 WeakPolarHBondContact O-CA 3.11Å; Y91-Y98 HydrophobicContact CD1-CD2 4.44Å; Y91-Y98 AromaticContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD2-CD2 4.31Å; Y91-Y98 AromaticContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CE1-CE2 4.27Å; Y91-Y98 HydrophobicContact CE2-CE2 4.33Å; Y91-Y98 AromaticContact CG-CD2 3.95Å; Y91-Y98 HydrophobicContact CG-CD2 3.95Å; Y91-Y98 AromaticContact CG-CE2 3.68Å; Y91-Y98 HydrophobicContact CG-CE2 3.68Å |
| 92 | L | 97.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | -175.9 | -175.9 | 62.8 | 0 | 0 | 0 | 114.2 | L88 A89 | L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 PolarHBondContact O-N 3.33Å; A89-L92 WeakPolarHBondContact O-CB 3.14Å; A89-L92 PolarHBondContact O-N 2.73Å |
| 93 | R | 96.8 | Very high | 97.9 | Very high | 227 Ų | 227 | 64.2 Ų | 64.2 | 86% | 0.857 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 9.9 | 177.4 | -64.7 | -170.2 | 177.6 | 84.7 | 0.5 | 113.5 | Y91 | Y91-R93 VanDerWaalsContact C-N 3.26Å; Y91-R93 PolarHBondContact O-N 2.9Å; Y91-R93 VanDerWaalsContact O-N 3.15Å |
| 94 | S | 96.9 | Very high | 97.9 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -82.6 | -178.1 | 175.3 | 82.6 | 0 | 0 | 0 | 0 | 111 | Y91 T96 | Y91-S94 VanDerWaalsContact O-CB 3.28Å; Y91-S94 WeakPolarHBondContact O-CB 3.38Å; Y91-S94 PolarHBondContact O-N 3.26Å; Y91-S94 PolarHBondContact O-OG 3.36Å; S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 3.09Å; S94-T96 VanDerWaalsContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-O 3.17Å |
| 95 | R | 96.5 | Very high | 97.9 | Very high | 251 Ų | 251 | 61.2 Ų | 61.2 | 95% | 0.947 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -73.8 | -13.5 | 173.1 | -67.6 | -175.4 | 177.5 | 178.4 | -0.9 | 113.4 | P97 | R95-P97 VanDerWaalsContact C-CD 3.5Š|
| 96 | T | 96.8 | Very high | 97.9 | Very high | 82 Ų | 82 | 57 Ų | 57 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -129.6 | 68.3 | -176.7 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | S94 | S94-T96 PolarHBondContact O-N 3.27Å; S94-T96 PolarHBondContact OG-N 3.09Å; S94-T96 VanDerWaalsContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-O 3.17Å |
| 97 | P | 97.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | trans | -67.6 | 139.6 | 173.6 | 30.9 | -34.2 | 0 | 0 | 0 | 109.7 | Y91 R95 | Y91-P97 WeakPolarHBondContact O-CA 3.11Å; R95-P97 VanDerWaalsContact C-CD 3.5Å | ||
| 98 | Y | 98.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | trans | -91.5 | 119.8 | 174.1 | -67.5 | -78.3 | 0 | 0 | 0 | 110 | D52 Q55 F56 Y91 V100 | D52-Y98 HydrophobicContact CB-CD1 4.09Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.4Å; Q55-Y98 HydrophobicContact CB-CE1 4.24Å; F56-Y98 HydrophobicContact CB-CD1 3.84Å; F56-Y98 HydrophobicContact CB-CE1 4.18Å; F56-Y98 HydrophobicContact CB-CG 4.09Å; F56-Y98 HydrophobicContact CD2-CD1 4.22Å; F56-Y98 AromaticContact CD2-CD2 3.54Å; F56-Y98 HydrophobicContact CD2-CD2 3.54Å; F56-Y98 AromaticContact CD2-CE2 3.9Å; F56-Y98 HydrophobicContact CD2-CE2 3.9Å; F56-Y98 AromaticContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CD2-CG 3.71Å; F56-Y98 HydrophobicContact CE2-CD2 4.13Å; F56-Y98 HydrophobicContact CG-CD1 4.43Å; F56-Y98 HydrophobicContact CG-CD2 4.45Å; F56-Y98 HydrophobicContact CG-CG 4.2Å; Y91-Y98 HydrophobicContact CD1-CD2 4.44Å; Y91-Y98 AromaticContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD1-CE2 3.87Å; Y91-Y98 HydrophobicContact CD2-CD2 4.31Å; Y91-Y98 AromaticContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CD2-CE2 3.91Å; Y91-Y98 HydrophobicContact CE1-CE2 4.27Å; Y91-Y98 HydrophobicContact CE2-CE2 4.33Å; Y91-Y98 AromaticContact CG-CD2 3.95Å; Y91-Y98 HydrophobicContact CG-CD2 3.95Å; Y91-Y98 AromaticContact CG-CE2 3.68Å; Y91-Y98 HydrophobicContact CG-CE2 3.68Å; Y98-V100 PolarHBondContact O-N 3.28Å | ||
| 99 | H | 97.9 | Very high | 97.3 | Very high | 85 Ų | 85 | 61 Ų | 61 | 39% | 0.394 | 29% | 0.288 | S | S | . | . | trans | -90.1 | 73.4 | 178 | -163.2 | 81.2 | 0 | 0 | 0 | 111.6 | G48 E49 D52 Y120 | G48-H99 WeakPolarHBondContact CA-O 3.14Å; E49-H99 HydrophobicContact CB-CB 4.01Å; E49-H99 PolarHBondContact N-O 3.07Å; D52-H99 PolarHBondContact OD2-N 2.73Å; H99-Y120 AromaticContact CE1-CD2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.92Å; H99-Y120 AromaticContact ND1-CD2 3.83Å | ||
| 100 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144 | -174.3 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | V47 D52 T53 F56 L88 Y98 L102 Y120 | V47-V100 CarbonylContact O-C 3.57Å; V47-V100 WeakPolarHBondContact O-CA 3.46Å; D52-V100 HydrophobicContact CB-CG1 3.99Å; T53-V100 HydrophobicContact CG2-CG1 3.99Å; F56-V100 HydrophobicContact CD1-CG2 3.88Å; F56-V100 HydrophobicContact CE1-CG2 4.3Å; F56-V100 HydrophobicContact CG-CG2 4.27Å; L88-V100 HydrophobicContact CD1-CG2 3.63Å; L88-V100 HydrophobicContact CD2-CG2 4.2Å; Y98-V100 PolarHBondContact O-N 3.28Å; V100-L102 HydrophobicContact CB-CD2 4.16Å; V100-L102 HydrophobicContact CG2-CD1 4.29Å; V100-L102 HydrophobicContact CG2-CD2 4.1Å; V100-L102 HydrophobicContact CG2-CG 4.26Å; V100-Y120 WeakPolarHBondContact O-CA 3.48Å; V100-Y120 VanDerWaalsContact O-CB 3.32Å; V100-Y120 WeakPolarHBondContact O-CB 3.17Å; V100-Y120 PolarHBondContact O-N 3.24Å |
| 101 | N | 98.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 15% | 0.15 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.8 | 169.6 | -65.3 | -77 | 0 | 0 | 0 | 108.8 | V47 D119 Y120 | V47-N101 HydrophobicContact CG2-CB 4.08Å; V47-N101 WeakPolarHBondContact CG2-O 3.47Å; V47-N101 PolarHBondContact N-O 2.89Å; V47-N101 PolarHBondContact O-N 2.83Å; N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; N101-Y120 PolarHBondContact OD1-N 3.17Å |
| 102 | L | 98.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.2 | -163.4 | -47.2 | 167.3 | 0 | 0 | 0 | 111.8 | L44 L45 C46 F56 T84 L88 V100 M118 H132 | L44-L102 HydrophobicContact CD1-CB 4.04Å; L44-L102 HydrophobicContact CD1-CD1 4.35Å; L44-L102 HydrophobicContact CD1-CD2 4.31Å; L44-L102 HydrophobicContact CD1-CG 4.47Å; L45-L102 VanDerWaalsContact O-CA 3.26Å; L45-L102 WeakPolarHBondContact O-CA 3.05Å; C46-L102 HydrophobicContact CB-CD2 3.71Å; C46-L102 WeakPolarHBondContact SG-CD2 3.43Å; F56-L102 HydrophobicContact CD1-CD1 4.25Å; F56-L102 HydrophobicContact CE1-CD1 3.69Å; T84-L102 HydrophobicContact CG2-CD1 3.64Å; L88-L102 HydrophobicContact CD2-CD1 4.33Å; V100-L102 HydrophobicContact CB-CD2 4.16Å; V100-L102 HydrophobicContact CG2-CD1 4.29Å; V100-L102 HydrophobicContact CG2-CD2 4.1Å; V100-L102 HydrophobicContact CG2-CG 4.26Å; L102-M118 HydrophobicContact CB-CB 4.24Å; L102-M118 HydrophobicContact CD1-SD 3.97Å; L102-M118 PolarHBondContact N-O 2.79Å; L102-M118 PolarHBondContact O-N 3.03Å; L102-H132 PolarHBondContact O-NE2 2.75Å |
| 103 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.6 | 156.2 | -60.3 | -178.1 | 0 | 0 | 0 | 108.5 | L4 L45 L115 F116 Y117 A130 | L4-L103 HydrophobicContact CB-CD1 3.91Å; L4-L103 HydrophobicContact CB-CG 4.34Å; L4-L103 HydrophobicContact CD1-CG 4.39Å; L45-L103 HydrophobicContact CB-CB 4.23Å; L45-L103 HydrophobicContact CD1-CB 4.22Å; L45-L103 PolarHBondContact N-O 2.86Å; L45-L103 PolarHBondContact O-N 2.97Å; L103-L115 HydrophobicContact CB-CD1 4.44Å; L103-F116 CarbonylContact C-O 3.56Å; L103-F116 WeakPolarHBondContact CA-O 3.33Å; L103-Y117 HydrophobicContact CD2-CD2 3.87Å; L103-Y117 HydrophobicContact CD2-CG 4.49Å; L103-A130 HydrophobicContact CD2-CB 3.74Å |
| 104 | L | 98.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.9 | 167.7 | -172 | 153.6 | 0 | 0 | 0 | 108.4 | L38 I42 L43 L44 P77 A80 A81 F116 | L38-L104 HydrophobicContact CD1-CD1 4.04Å; I42-L104 HydrophobicContact CG2-CD1 4.31Å; I42-L104 HydrophobicContact CG2-CD2 3.93Å; I42-L104 HydrophobicContact CG2-CG 4.06Å; L43-L104 WeakPolarHBondContact O-CA 3.36Å; L44-L104 HydrophobicContact CD1-CB 4.28Å; L44-L104 HydrophobicContact CD1-CD1 4.48Å; P77-L104 HydrophobicContact CB-CD2 4.28Å; A80-L104 HydrophobicContact CB-CD1 4.04Å; A81-L104 HydrophobicContact CB-CD1 4.3Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; L104-F116 HydrophobicContact CB-CB 4.25Å; L104-F116 HydrophobicContact CD2-CD2 3.89Å; L104-F116 HydrophobicContact CD2-CE2 4.5Å; L104-F116 PolarHBondContact N-O 3.32Å; L104-F116 PolarHBondContact O-N 3.23Å |
| 105 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V13 V15 I42 L43 G114 L115 I183 | V13-A105 HydrophobicContact CB-CB 4.26Å; V13-A105 HydrophobicContact CG1-CB 3.68Å; V15-A105 HydrophobicContact CG1-CB 3.51Å; I42-A105 WeakPolarHBondContact CA-O 3.26Å; L43-A105 PolarHBondContact N-O 2.99Å; L43-A105 PolarHBondContact O-N 2.81Å; A105-G114 WeakPolarHBondContact CA-O 3.41Å; A105-L115 HydrophobicContact CB-CD1 4.08Å; A105-I183 HydrophobicContact CB-CD1 3.58Å; A105-I183 VanDerWaalsContact O-CD1 3.3Å; A105-I183 WeakPolarHBondContact O-CD1 3.46Å |
| 106 | G | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 169.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K41 G114 | K41-G106 CarbonylContact O-C 3.6Å; K41-G106 WeakPolarHBondContact O-CA 3.5Å; G106-G114 PolarHBondContact N-O 3.01Å; G106-G114 PolarHBondContact O-N 3.23Å |
| 107 | H | 97.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.2 | 174.8 | -172.3 | -65 | 0 | 0 | 0 | 109.8 | D11 K41 I183 | D11-H107 PolarHBondContact O-CD2 3.45Å; D11-H107 PolarHBondContact O-NE2 2.89Å; K41-H107 WeakPolarHBondContact CB-O 3.22Å; K41-H107 PolarHBondContact O-N 3.24Å; H107-I183 HydrophobicContact CB-CG2 4.03Å |
| 108 | D | 94.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 34 Ų | 34 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 150.5 | 173.8 | -164.8 | 67.5 | 0 | 0 | 0 | 111 | P77 S110 D111 G112 | P77-D108 HydrophobicContact CG-CB 4.22Å; D108-S110 VanDerWaalsContact C-N 3.33Å; D108-S110 WeakPolarHBondContact OD2-CA 3.46Å; D108-S110 WeakPolarHBondContact OD2-CB 3.11Å; D108-S110 PolarHBondContact OD2-N 3.44Å; D108-S110 PolarHBondContact OD2-OG 2.89Å; D108-D111 HydrophobicContact CB-CB 4.1Å; D108-D111 PolarHBondContact OD2-N 3.03Å; D108-D111 VanDerWaalsContact OD2-N 3.09Å; D108-G112 PolarHBondContact N-O 2.88Å; D108-G112 VanDerWaalsContact O-CA 3.26Å; D108-G112 WeakPolarHBondContact O-CA 3.41Å; D108-G112 PolarHBondContact O-N 3.35Å; D108-G112 VanDerWaalsContact O-N 3.14Å |
| 109 | E | 91.3 | Very high | 96.9 | Very high | 163 Ų | 163 | 33.5 Ų | 33.5 | 76% | 0.762 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.8 | 177.9 | -70.1 | 175.5 | -168.1 | 0 | 0 | 112.5 | K41 | K41-E109 IonicContact NZ-OE1 3.35Å; K41-E109 PolarHBondContact NZ-OE1 3.49Å |
| 110 | S | 90.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 34.2 Ų | 34.2 | 71% | 0.713 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -47.4 | -178.4 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | D108 | D108-S110 VanDerWaalsContact C-N 3.33Å; D108-S110 WeakPolarHBondContact OD2-CA 3.46Å; D108-S110 WeakPolarHBondContact OD2-CB 3.11Å; D108-S110 PolarHBondContact OD2-N 3.44Å; D108-S110 PolarHBondContact OD2-OG 2.89Å |
| 111 | D | 91.1 | Very high | 96.9 | Very high | 110 Ų | 110 | 39.5 Ų | 39.5 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -7.6 | -175.7 | -69.6 | -31.9 | 0 | 0 | 0 | 113.8 | D108 | D108-D111 HydrophobicContact CB-CB 4.1Å; D108-D111 PolarHBondContact OD2-N 3.03Å; D108-D111 VanDerWaalsContact OD2-N 3.09Å |
| 112 | G | 95.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | -151.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D108 | D108-G112 PolarHBondContact N-O 2.88Å; D108-G112 VanDerWaalsContact O-CA 3.26Å; D108-G112 WeakPolarHBondContact O-CA 3.41Å; D108-G112 PolarHBondContact O-N 3.35Å; D108-G112 VanDerWaalsContact O-N 3.14Å |
| 113 | P | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.071 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 143.4 | -178.8 | 28.4 | -33.7 | 0 | 0 | 0 | 112.4 | Q8 G9 P10 V13 | Q8-P113 HydrophobicContact CG-CB 4.14Å; Q8-P113 HydrophobicContact CG-CG 4.23Å; Q8-P113 PolarHBondContact NE2-O 3.33Å; G9-P113 WeakPolarHBondContact O-CG 3.1Å; P10-P113 WeakPolarHBondContact O-CD 3.44Å; P10-P113 WeakPolarHBondContact O-CG 3.48Å; V13-P113 HydrophobicContact CG2-CB 3.52Å |
| 114 | G | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 124.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A105 G106 | A105-G114 WeakPolarHBondContact CA-O 3.41Å; G106-G114 PolarHBondContact N-O 3.01Å; G106-G114 PolarHBondContact O-N 3.23Å |
| 115 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.9 | 169.5 | 178.2 | 67.9 | 0 | 0 | 0 | 110.1 | G6 Q8 V13 L103 A105 K126 A127 A130 | G6-L115 VanDerWaalsContact C-CD2 3.47Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; Q8-L115 HydrophobicContact CB-CB 4.23Å; V13-L115 HydrophobicContact CG1-CB 4.13Å; V13-L115 HydrophobicContact CG1-CD1 4.19Å; L103-L115 HydrophobicContact CB-CD1 4.44Å; A105-L115 HydrophobicContact CB-CD1 4.08Å; L115-K126 WeakPolarHBondContact O-CA 3.14Å; L115-A127 WeakPolarHBondContact CB-O 3.3Å; L115-A127 PolarHBondContact O-N 3.02Å; L115-A130 HydrophobicContact CD2-CB 4.22Å |
| 116 | F | 98.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 51.8 Ų | 51.8 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 125.5 | -176.8 | -62.9 | -85 | 0 | 0 | 0 | 110 | P77 A81 L103 L104 L124 A125 K126 | P77-F116 HydrophobicContact CB-CE2 4.05Å; A81-F116 HydrophobicContact CB-CB 4.14Å; A81-F116 HydrophobicContact CB-CD1 3.99Å; A81-F116 HydrophobicContact CB-CD2 3.99Å; A81-F116 HydrophobicContact CB-CE1 4.39Å; A81-F116 HydrophobicContact CB-CE2 4.39Å; A81-F116 HydrophobicContact CB-CG 3.77Å; L103-F116 CarbonylContact C-O 3.56Å; L103-F116 WeakPolarHBondContact CA-O 3.33Å; L104-F116 HydrophobicContact CB-CB 4.25Å; L104-F116 HydrophobicContact CD2-CD2 3.89Å; L104-F116 HydrophobicContact CD2-CE2 4.5Å; L104-F116 PolarHBondContact N-O 3.32Å; L104-F116 PolarHBondContact O-N 3.23Å; F116-L124 HydrophobicContact CB-CD1 3.79Å; F116-L124 HydrophobicContact CD1-CD1 3.99Å; F116-L124 HydrophobicContact CG-CD1 4.28Å; F116-A125 WeakPolarHBondContact CA-O 3.49Å; F116-K126 HydrophobicContact CD1-CB 4.01Å; F116-K126 HydrophobicContact CD1-CG 4.26Å; F116-K126 HydrophobicContact CE1-CB 3.92Å; F116-K126 HydrophobicContact CE1-CD 4.15Å; F116-K126 HydrophobicContact CE1-CG 3.98Å; F116-K126 HydrophobicContact CZ-CD 4.31Å; F116-K126 HydrophobicContact CZ-CG 4.42Å |
| 117 | Y | 98.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 30% | 0.302 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135.3 | 172.5 | 177 | -85.6 | 0 | 0 | 0 | 109.7 | L103 D119 L124 A125 A130 H132 | L103-Y117 HydrophobicContact CD2-CD2 3.87Å; L103-Y117 HydrophobicContact CD2-CG 4.49Å; Y117-D119 HydrophobicContact CE1-CB 4.15Å; Y117-L124 WeakPolarHBondContact O-CA 3.34Å; Y117-A125 PolarHBondContact N-O 3.46Å; Y117-A125 PolarHBondContact O-N 2.97Å; Y117-A130 HydrophobicContact CD2-CB 3.93Å; Y117-A130 HydrophobicContact CG-CB 4.5Å; Y117-H132 AromaticContact CD2-CE1 3.58Å; Y117-H132 AromaticContact CD2-NE2 3.35Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.39Å; Y117-H132 AromaticContact CE1-CE1 3.85Å; Y117-H132 AromaticContact CE2-CD2 3.85Å; Y117-H132 AromaticContact CE2-CE1 2.96Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.41Å; Y117-H132 AromaticContact CE2-CG 3.94Å; Y117-H132 AromaticContact CE2-ND1 3.41Å; Y117-H132 WeakPolarHBondContact CE2-ND1 2.96Å; Y117-H132 AromaticContact CE2-NE2 3.24Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.24Å; Y117-H132 AromaticContact CZ-CE1 3.1Å; Y117-H132 AromaticContact CZ-ND1 3.68Å; Y117-H132 AromaticContact CZ-NE2 3.78Å; Y117-H132 PolarHBondContact OH-CE1 3.03Å; Y117-H132 VanDerWaalsContact OH-CE1 3.29Å; Y117-H132 PolarHBondContact OH-ND1 3.48Å |
| 118 | M | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 125.5 | 173.7 | -167 | -179 | -53.8 | 0 | 0 | 111.5 | A81 T84 R85 L88 L102 S123 L124 H132 | A81-M118 WeakPolarHBondContact O-CE 3.3Å; T84-M118 HydrophobicContact CG2-CE 3.99Å; T84-M118 HydrophobicContact CG2-SD 4.16Å; R85-M118 HydrophobicContact CB-CE 3.64Å; R85-M118 HydrophobicContact CB-SD 4.14Å; R85-M118 HydrophobicContact CG-CE 4.31Å; R85-M118 HydrophobicContact CG-SD 4.45Å; L88-M118 HydrophobicContact CB-SD 4.48Å; L88-M118 HydrophobicContact CD2-CG 4.21Å; L88-M118 HydrophobicContact CD2-SD 3.75Å; L102-M118 HydrophobicContact CB-CB 4.24Å; L102-M118 HydrophobicContact CD1-SD 3.97Å; L102-M118 PolarHBondContact N-O 2.79Å; L102-M118 PolarHBondContact O-N 3.03Å; M118-S123 VanDerWaalsContact CA-O 3.25Å; M118-S123 WeakPolarHBondContact CA-O 3.5Å; M118-S123 WeakPolarHBondContact CG-O 3.43Å; M118-L124 HydrophobicContact CE-CD1 3.97Å; M118-H132 PolarHBondContact O-CE1 3.03Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.2Å |
| 119 | D | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 16% | 0.16 | 30% | 0.299 | C | S | . | . | trans | -87.6 | 168.7 | 173.6 | 79 | -37.1 | 0 | 0 | 0 | 111.6 | N101 Y117 M121 A122 S123 | N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; Y117-D119 HydrophobicContact CE1-CB 4.15Å; D119-M121 PolarHBondContact O-N 3.17Å; D119-M121 VanDerWaalsContact O-N 3.1Å; D119-M121 WeakPolarHBondContact OD2-CB 3.26Å; D119-M121 PolarHBondContact OD2-N 2.98Å; D119-A122 WeakPolarHBondContact O-CA 3.2Å; D119-A122 PolarHBondContact O-N 2.87Å; D119-A122 PolarHBondContact OD1-N 2.93Å; D119-S123 PolarHBondContact N-O 3.28Å; D119-S123 WeakPolarHBondContact OD1-CA 3.43Å; D119-S123 WeakPolarHBondContact OD1-CB 3.49Å; D119-S123 PolarHBondContact OD1-N 3Å | ||
| 120 | Y | 97.3 | Very high | 97.3 | Very high | 101 Ų | 101 | 47.4 Ų | 47.4 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.3 | 178.6 | 75.3 | -83.4 | 0 | 0 | 0 | 114.3 | H99 V100 N101 A122 | H99-Y120 AromaticContact CE1-CD2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.92Å; H99-Y120 AromaticContact ND1-CD2 3.83Å; V100-Y120 WeakPolarHBondContact O-CA 3.48Å; V100-Y120 VanDerWaalsContact O-CB 3.32Å; V100-Y120 WeakPolarHBondContact O-CB 3.17Å; V100-Y120 PolarHBondContact O-N 3.24Å; N101-Y120 PolarHBondContact OD1-N 3.17Å; Y120-A122 VanDerWaalsContact C-N 3.25Å |
| 121 | M | 97.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 42.8 Ų | 42.8 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.4 | 171.1 | -54.3 | -166 | 73.9 | 0 | 0 | 113.3 | D119 S123 | D119-M121 PolarHBondContact O-N 3.17Å; D119-M121 VanDerWaalsContact O-N 3.1Å; D119-M121 WeakPolarHBondContact OD2-CB 3.26Å; D119-M121 PolarHBondContact OD2-N 2.98Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.42Å |
| 122 | A | 97.3 | Very high | 98 | Very high | 6 Ų | 6 | 38 Ų | 38 | 5% | 0.05 | 21% | 0.207 | C | C | . | . | trans | 61.7 | 30.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R85 L88 A89 D119 Y120 | R85-A122 WeakPolarHBondContact CD-O 3.32Å; R85-A122 HydrophobicContact CG-CB 4.29Å; R85-A122 WeakPolarHBondContact CG-O 3.37Å; L88-A122 HydrophobicContact CB-CB 3.86Å; L88-A122 HydrophobicContact CD2-CB 4.05Å; L88-A122 HydrophobicContact CG-CB 3.89Å; A89-A122 HydrophobicContact CB-CB 3.69Å; D119-A122 WeakPolarHBondContact O-CA 3.2Å; D119-A122 PolarHBondContact O-N 2.87Å; D119-A122 PolarHBondContact OD1-N 2.93Å; Y120-A122 VanDerWaalsContact C-N 3.25Å | ||
| 123 | S | 98.1 | Very high | 98.1 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | trans | -75.7 | 135.6 | 163.5 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | M118 D119 M121 | M118-S123 VanDerWaalsContact CA-O 3.25Å; M118-S123 WeakPolarHBondContact CA-O 3.5Å; M118-S123 WeakPolarHBondContact CG-O 3.43Å; D119-S123 PolarHBondContact N-O 3.28Å; D119-S123 WeakPolarHBondContact OD1-CA 3.43Å; D119-S123 WeakPolarHBondContact OD1-CB 3.49Å; D119-S123 PolarHBondContact OD1-N 3Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 3.42Å | ||
| 124 | L | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.1 | -177.4 | 173.8 | 65.4 | 0 | 0 | 0 | 109.7 | A81 R85 F116 Y117 M118 | A81-L124 HydrophobicContact CB-CD1 4.1Å; A81-L124 HydrophobicContact CB-CD2 4.12Å; R85-L124 HydrophobicContact CB-CD2 4.4Å; R85-L124 HydrophobicContact CG-CB 4.03Å; F116-L124 HydrophobicContact CB-CD1 3.79Å; F116-L124 HydrophobicContact CD1-CD1 3.99Å; F116-L124 HydrophobicContact CG-CD1 4.28Å; Y117-L124 WeakPolarHBondContact O-CA 3.34Å; M118-L124 HydrophobicContact CE-CD1 3.97Å |
| 125 | A | 98.4 | Very high | 98 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | F116 Y117 | F116-A125 WeakPolarHBondContact CA-O 3.49Å; Y117-A125 PolarHBondContact N-O 3.46Å; Y117-A125 PolarHBondContact O-N 2.97Å |
| 126 | K | 98.1 | Very high | 98 | Very high | 122 Ų | 122 | 44 Ų | 44 | 53% | 0.53 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129 | 165.3 | -169.4 | 177.9 | -177 | 179.2 | 0 | 107.7 | L115 F116 | L115-K126 WeakPolarHBondContact O-CA 3.14Å; F116-K126 HydrophobicContact CD1-CB 4.01Å; F116-K126 HydrophobicContact CD1-CG 4.26Å; F116-K126 HydrophobicContact CE1-CB 3.92Å; F116-K126 HydrophobicContact CE1-CD 4.15Å; F116-K126 HydrophobicContact CE1-CG 3.98Å; F116-K126 HydrophobicContact CZ-CD 4.31Å; F116-K126 HydrophobicContact CZ-CG 4.42Å |
| 127 | A | 97.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | trans | -139.6 | 144.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L115 F129 A130 | L115-A127 WeakPolarHBondContact CB-O 3.3Å; L115-A127 PolarHBondContact O-N 3.02Å; A127-F129 WeakPolarHBondContact CB-O 3.35Å; A127-F129 PolarHBondContact O-N 3.22Å; A127-A130 HydrophobicContact CB-CB 4.47Å | ||
| 128 | P | 97.8 | Very high | 97.9 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -67.1 | -25.3 | 177.6 | 27.4 | -34.4 | 0 | 0 | 0 | 112.6 | Q8 Y147 | Q8-P128 WeakPolarHBondContact CA-O 3.5Å; Q8-P128 VanDerWaalsContact CB-O 3.25Å; Q8-P128 WeakPolarHBondContact CB-O 3.43Å; Q8-P128 PolarHBondContact N-O 3.3Å; P128-Y147 HydrophobicContact CB-CE1 3.76Å; P128-Y147 HydrophobicContact CB-CE2 4.47Å; P128-Y147 WeakPolarHBondContact CB-OH 3.42Å; P128-Y147 HydrophobicContact CG-CE1 4.44Å |
| 129 | F | 98.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 154.3 | 170.1 | 51.7 | -94.5 | 0 | 0 | 0 | 108.1 | G6 A127 L140 L143 D144 Y147 | G6-F129 CarbonylContact O-C 3.52Å; G6-F129 WeakPolarHBondContact O-CA 3.36Å; G6-F129 WeakPolarHBondContact O-CB 3.43Å; A127-F129 WeakPolarHBondContact CB-O 3.35Å; A127-F129 PolarHBondContact O-N 3.22Å; F129-L140 HydrophobicContact CD2-CD2 4.34Å; F129-L143 HydrophobicContact CB-CD1 4.15Å; F129-L143 HydrophobicContact CD2-CB 3.64Å; F129-L143 HydrophobicContact CD2-CD1 3.81Å; F129-L143 HydrophobicContact CD2-CG 4.34Å; F129-L143 HydrophobicContact CE2-CB 3.82Å; F129-L143 HydrophobicContact CG-CB 4.03Å; F129-L143 HydrophobicContact CG-CD1 4.22Å; F129-L143 HydrophobicContact CZ-CB 4.36Å; F129-D144 WeakPolarHBondContact CE2-OD1 3.43Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.46Å; F129-Y147 AromaticContact CD1-CD1 3.76Å; F129-Y147 HydrophobicContact CD1-CD1 3.76Å; F129-Y147 AromaticContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CE1 4.15Å; F129-Y147 HydrophobicContact CD1-CE2 4.04Å; F129-Y147 AromaticContact CD1-CG 3.49Å; F129-Y147 HydrophobicContact CD1-CG 3.49Å; F129-Y147 VanDerWaalsContact CD1-CG 3.49Å; F129-Y147 AromaticContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD2 4.25Å; F129-Y147 HydrophobicContact CE1-CE1 4.23Å; F129-Y147 AromaticContact CE1-CG 3.61Å; F129-Y147 HydrophobicContact CE1-CG 3.61Å |
| 130 | A | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 154.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I5 G6 L103 L115 Y117 A127 | I5-A130 CarbonylContact C-O 3.6Å; I5-A130 WeakPolarHBondContact CA-O 3.46Å; G6-A130 PolarHBondContact N-O 3.47Å; G6-A130 PolarHBondContact O-N 3.17Å; L103-A130 HydrophobicContact CD2-CB 3.74Å; L115-A130 HydrophobicContact CD2-CB 4.22Å; Y117-A130 HydrophobicContact CD2-CB 3.93Å; Y117-A130 HydrophobicContact CG-CB 4.5Å; A127-A130 HydrophobicContact CB-CB 4.47Å |
| 131 | A | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y3 L4 I5 A136 L140 | Y3-A131 HydrophobicContact CE2-CB 4.28Å; L4-A131 CarbonylContact O-C 3.17Å; L4-A131 WeakPolarHBondContact O-CA 3.34Å; L4-A131 WeakPolarHBondContact O-CB 3.45Å; I5-A131 HydrophobicContact CB-CB 4.47Å; A131-A136 HydrophobicContact CB-CB 3.61Å; A131-L140 HydrophobicContact CB-CD2 4.09Å; A131-L140 HydrophobicContact CB-CG 4.29Å |
| 132 | H | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.1 | 172.4 | -77.1 | -74 | 0 | 0 | 0 | 111.3 | Y3 L4 V47 L102 Y117 M118 | Y3-H132 WeakPolarHBondContact CA-O 3.4Å; Y3-H132 VanDerWaalsContact CD2-O 3.3Å; Y3-H132 WeakPolarHBondContact CD2-O 3.13Å; L4-H132 HydrophobicContact CB-CB 4.24Å; L4-H132 HydrophobicContact CD1-CB 4.42Å; L4-H132 HydrophobicContact CG-CB 4.48Å; L4-H132 PolarHBondContact N-O 3.28Å; L4-H132 VanDerWaalsContact N-O 3.17Å; L4-H132 PolarHBondContact O-N 3.44Å; V47-H132 HydrophobicContact CG2-CB 4.12Å; L102-H132 PolarHBondContact O-NE2 2.75Å; Y117-H132 AromaticContact CD2-CE1 3.58Å; Y117-H132 AromaticContact CD2-NE2 3.35Å; Y117-H132 WeakPolarHBondContact CD2-NE2 3.39Å; Y117-H132 AromaticContact CE1-CE1 3.85Å; Y117-H132 AromaticContact CE2-CD2 3.85Å; Y117-H132 AromaticContact CE2-CE1 2.96Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.41Å; Y117-H132 AromaticContact CE2-CG 3.94Å; Y117-H132 AromaticContact CE2-ND1 3.41Å; Y117-H132 WeakPolarHBondContact CE2-ND1 2.96Å; Y117-H132 AromaticContact CE2-NE2 3.24Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.24Å; Y117-H132 AromaticContact CZ-CE1 3.1Å; Y117-H132 AromaticContact CZ-ND1 3.68Å; Y117-H132 AromaticContact CZ-NE2 3.78Å; Y117-H132 PolarHBondContact OH-CE1 3.03Å; Y117-H132 VanDerWaalsContact OH-CE1 3.29Å; Y117-H132 PolarHBondContact OH-ND1 3.48Å; M118-H132 PolarHBondContact O-CE1 3.03Å; M118-H132 VanDerWaalsContact O-CE1 3.31Å; M118-H132 PolarHBondContact O-NE2 3.2Å |
| 133 | G | 97 | Very high | 98 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 86.2 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2 G135 A136 | E2-G133 WeakPolarHBondContact O-CA 3.16Å; G133-G135 PolarHBondContact O-N 2.75Å; G133-A136 WeakPolarHBondContact O-CB 2.94Å; G133-A136 PolarHBondContact O-N 2.89Å |
| 134 | Y | 97.5 | Very high | 98 | Very high | 136 Ų | 136 | 47.3 Ų | 47.3 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24 | -176.5 | -64 | -31.3 | 0 | 0 | 0 | 113.8 | M1 A136 F137 | M1-Y134 HydrophobicContact CB-CD2 4.07Å; M1-Y134 HydrophobicContact CB-CE2 4.35Å; M1-Y134 HydrophobicContact CE-CE1 4.49Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.02Å; M1-Y134 HydrophobicContact CG-CG 4.08Å; M1-Y134 HydrophobicContact SD-CE2 4.45Å; Y134-A136 PolarHBondContact O-N 3.07Å; Y134-F137 HydrophobicContact CD1-CD2 4.45Å; Y134-F137 AromaticContact CD1-CE2 4Å; Y134-F137 HydrophobicContact CD1-CE2 4Å; Y134-F137 WeakPolarHBondContact O-CD2 3.47Å; Y134-F137 PolarHBondContact O-N 2.83Å |
| 135 | G | 96.3 | Very high | 98 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G133 F137 L138 T139 L167 | G133-G135 PolarHBondContact O-N 2.75Å; G135-F137 PolarHBondContact O-N 3.3Å; G135-L138 PolarHBondContact O-N 3.07Å; G135-T139 PolarHBondContact O-N 2.74Å; G135-T139 VanDerWaalsContact O-N 3.14Å; G135-T139 PolarHBondContact O-OG1 2.89Å; G135-T139 VanDerWaalsContact O-OG1 3.08Å; G135-L167 VanDerWaalsContact CA-CD2 3.46Å |
| 136 | A | 97.6 | Very high | 98 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -34.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A131 G133 Y134 L138 T139 L140 | A131-A136 HydrophobicContact CB-CB 3.61Å; G133-A136 WeakPolarHBondContact O-CB 2.94Å; G133-A136 PolarHBondContact O-N 2.89Å; Y134-A136 PolarHBondContact O-N 3.07Å; A136-L138 PolarHBondContact O-N 3.14Å; A136-T139 PolarHBondContact O-N 2.78Å; A136-L140 HydrophobicContact CB-CD1 4.03Å; A136-L140 HydrophobicContact CB-CG 4.32Å; A136-L140 VanDerWaalsContact O-CB 3.3Å; A136-L140 WeakPolarHBondContact O-CB 3.25Å; A136-L140 WeakPolarHBondContact O-CD1 3.03Å; A136-L140 WeakPolarHBondContact O-CG 3.4Å; A136-L140 PolarHBondContact O-N 2.97Å |
| 137 | F | 97.8 | Very high | 98 | Very high | 164 Ų | 164 | 53 Ų | 53 | 72% | 0.719 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.4 | -25.3 | 177.8 | -64.5 | -63.7 | 0 | 0 | 0 | 113.5 | Y134 G135 | Y134-F137 HydrophobicContact CD1-CD2 4.45Å; Y134-F137 AromaticContact CD1-CE2 4Å; Y134-F137 HydrophobicContact CD1-CE2 4Å; Y134-F137 WeakPolarHBondContact O-CD2 3.47Å; Y134-F137 PolarHBondContact O-N 2.83Å; G135-F137 PolarHBondContact O-N 3.3Å |
| 138 | L | 97.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -94.2 | -29.7 | 179.8 | -60.5 | 178 | 0 | 0 | 0 | 112.1 | G135 A136 L167 R170 F171 | G135-L138 PolarHBondContact O-N 3.07Å; A136-L138 PolarHBondContact O-N 3.14Å; L138-L167 HydrophobicContact CB-CD2 4.34Å; L138-L167 HydrophobicContact CD1-CD2 4.23Å; L138-R170 HydrophobicContact CD1-CB 4.24Å; L138-F171 HydrophobicContact CD1-CB 3.92Å; L138-F171 HydrophobicContact CD1-CD2 4.06Å; L138-F171 HydrophobicContact CD1-CG 4.37Å |
| 139 | T | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -101.6 | -26.6 | -169.4 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | Y3 G135 A136 S141 I142 L143 C163 L167 | Y3-T139 WeakPolarHBondContact OH-CB 3.48Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.18Å; Y3-T139 PolarHBondContact OH-OG1 2.75Å; G135-T139 PolarHBondContact O-N 2.74Å; G135-T139 VanDerWaalsContact O-N 3.14Å; G135-T139 PolarHBondContact O-OG1 2.89Å; G135-T139 VanDerWaalsContact O-OG1 3.08Å; A136-T139 PolarHBondContact O-N 2.78Å; T139-S141 VanDerWaalsContact C-N 3.3Å; T139-S141 PolarHBondContact O-N 2.89Å; T139-I142 WeakPolarHBondContact O-CB 3.33Å; T139-I142 PolarHBondContact O-N 3.31Å; T139-L143 PolarHBondContact O-N 2.93Å; T139-C163 HydrophobicContact CG2-CB 3.7Å; T139-C163 WeakPolarHBondContact CG2-O 3.05Å; T139-L167 HydrophobicContact CG2-CD1 4.26Å; T139-L167 HydrophobicContact CG2-CD2 3.85Å; T139-L167 HydrophobicContact CG2-CG 3.83Å |
| 140 | L | 98.5 | Very high | 97.7 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 179.4 | -75.7 | 169.9 | 0 | 0 | 0 | 112.2 | F129 A131 A136 I142 L143 D144 | F129-L140 HydrophobicContact CD2-CD2 4.34Å; A131-L140 HydrophobicContact CB-CD2 4.09Å; A131-L140 HydrophobicContact CB-CG 4.29Å; A136-L140 HydrophobicContact CB-CD1 4.03Å; A136-L140 HydrophobicContact CB-CG 4.32Å; A136-L140 VanDerWaalsContact O-CB 3.3Å; A136-L140 WeakPolarHBondContact O-CB 3.25Å; A136-L140 WeakPolarHBondContact O-CD1 3.03Å; A136-L140 WeakPolarHBondContact O-CG 3.4Å; A136-L140 PolarHBondContact O-N 2.97Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 2.84Å; L140-L143 HydrophobicContact CD2-CD1 4.33Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-L143 VanDerWaalsContact O-N 3.16Å; L140-D144 PolarHBondContact O-N 3.07Å |
| 141 | S | 98.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -27.6 | 176.9 | 62 | 0 | 0 | 0 | 0 | 113.5 | T139 R145 | T139-S141 VanDerWaalsContact C-N 3.3Å; T139-S141 PolarHBondContact O-N 2.89Å; S141-R145 WeakPolarHBondContact O-CB 3.35Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.09Å |
| 142 | I | 98.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.7 | -43 | 172.3 | -61.7 | 176 | 0 | 0 | 0 | 109.4 | T139 L140 R145 Y146 L159 K162 E166 | T139-I142 WeakPolarHBondContact O-CB 3.33Å; T139-I142 PolarHBondContact O-N 3.31Å; L140-I142 VanDerWaalsContact C-N 3.29Å; L140-I142 PolarHBondContact O-N 2.84Å; I142-R145 PolarHBondContact O-N 2.74Å; I142-Y146 HydrophobicContact CG2-CD2 3.86Å; I142-Y146 HydrophobicContact CG2-CE2 4.22Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.44Å; I142-Y146 PolarHBondContact O-N 3.39Å; I142-Y146 VanDerWaalsContact O-N 3.16Å; I142-L159 HydrophobicContact CG2-CD1 4.14Å; I142-K162 HydrophobicContact CG2-CB 4.37Å; I142-E166 HydrophobicContact CD1-CB 3.52Å; I142-E166 HydrophobicContact CD1-CG 3.71Å |
| 143 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -50 | 174.4 | -63.8 | 170.7 | 0 | 0 | 0 | 110.3 | I5 I7 F129 T139 L140 R145 Y146 Y147 L159 | I5-L143 HydrophobicContact CD1-CD1 3.84Å; I5-L143 HydrophobicContact CD1-CD2 4.27Å; I5-L143 HydrophobicContact CD1-CG 4.43Å; I5-L143 HydrophobicContact CG1-CD1 4.25Å; I7-L143 HydrophobicContact CD1-CD2 3.7Å; I7-L143 HydrophobicContact CG1-CD2 3.96Å; F129-L143 HydrophobicContact CB-CD1 4.15Å; F129-L143 HydrophobicContact CD2-CB 3.64Å; F129-L143 HydrophobicContact CD2-CD1 3.81Å; F129-L143 HydrophobicContact CD2-CG 4.34Å; F129-L143 HydrophobicContact CE2-CB 3.82Å; F129-L143 HydrophobicContact CG-CB 4.03Å; F129-L143 HydrophobicContact CG-CD1 4.22Å; F129-L143 HydrophobicContact CZ-CB 4.36Å; T139-L143 PolarHBondContact O-N 2.93Å; L140-L143 HydrophobicContact CD2-CD1 4.33Å; L140-L143 WeakPolarHBondContact O-CB 3.37Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 PolarHBondContact O-N 2.68Å; L143-R145 VanDerWaalsContact O-N 3.14Å; L143-Y146 PolarHBondContact O-N 3.45Å; L143-Y147 WeakPolarHBondContact O-CA 3.37Å; L143-Y147 WeakPolarHBondContact O-CB 3.41Å; L143-Y147 PolarHBondContact O-N 2.92Å; L143-L159 HydrophobicContact CD2-CD1 4.39Å; L143-L159 HydrophobicContact CD2-CD2 3.9Å; L143-L159 HydrophobicContact CD2-CG 3.92Å |
| 144 | D | 98.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 73.1 Ų | 73.1 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -54 | -36.7 | 175.7 | -73.4 | -35.7 | 0 | 0 | 0 | 112.6 | F129 L140 | F129-D144 WeakPolarHBondContact CE2-OD1 3.43Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.46Å; L140-D144 PolarHBondContact O-N 3.07Å |
| 145 | R | 98.3 | Very high | 97.3 | Very high | 172 Ų | 172 | 70.1 Ų | 70.1 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -74.3 | -36.6 | -176.3 | 178.7 | 61.1 | -172.8 | 96.4 | -5.4 | 114 | S141 I142 L143 | S141-R145 WeakPolarHBondContact O-CB 3.35Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.09Å; I142-R145 PolarHBondContact O-N 2.74Å; L143-R145 PolarHBondContact O-N 2.68Å; L143-R145 VanDerWaalsContact O-N 3.14Å |
| 146 | Y | 98 | Very high | 97.3 | Very high | 118 Ų | 118 | 70.1 Ų | 70.1 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -119.7 | -14.4 | -166.8 | -65.5 | -69.4 | 0 | 0 | 0 | 114.2 | I142 L143 L159 | I142-Y146 HydrophobicContact CG2-CD2 3.86Å; I142-Y146 HydrophobicContact CG2-CE2 4.22Å; I142-Y146 VanDerWaalsContact O-CD2 3.3Å; I142-Y146 WeakPolarHBondContact O-CD2 3.44Å; I142-Y146 PolarHBondContact O-N 3.39Å; I142-Y146 VanDerWaalsContact O-N 3.16Å; L143-Y146 PolarHBondContact O-N 3.45Å; Y146-L159 HydrophobicContact CD2-CD1 4.31Å; Y146-L159 HydrophobicContact CG-CD1 4.36Å |
| 147 | Y | 98.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 71 Ų | 71 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | trans | -62.7 | 138.6 | 178.4 | 178 | -94.9 | 0 | 0 | 0 | 111.4 | I7 Q8 P128 F129 L143 P149 L151 | I7-Y147 HydrophobicContact CG2-CD2 4.04Å; I7-Y147 HydrophobicContact CG2-CE2 4Å; Q8-Y147 VanDerWaalsContact O-CE2 3.27Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.22Å; Q8-Y147 PolarHBondContact O-OH 3.37Å; P128-Y147 HydrophobicContact CB-CE1 3.76Å; P128-Y147 HydrophobicContact CB-CE2 4.47Å; P128-Y147 WeakPolarHBondContact CB-OH 3.42Å; P128-Y147 HydrophobicContact CG-CE1 4.44Å; F129-Y147 AromaticContact CD1-CD1 3.76Å; F129-Y147 HydrophobicContact CD1-CD1 3.76Å; F129-Y147 AromaticContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CD2 3.65Å; F129-Y147 HydrophobicContact CD1-CE1 4.15Å; F129-Y147 HydrophobicContact CD1-CE2 4.04Å; F129-Y147 AromaticContact CD1-CG 3.49Å; F129-Y147 HydrophobicContact CD1-CG 3.49Å; F129-Y147 VanDerWaalsContact CD1-CG 3.49Å; F129-Y147 AromaticContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD1 3.6Å; F129-Y147 HydrophobicContact CE1-CD2 4.25Å; F129-Y147 HydrophobicContact CE1-CE1 4.23Å; F129-Y147 AromaticContact CE1-CG 3.61Å; F129-Y147 HydrophobicContact CE1-CG 3.61Å; L143-Y147 WeakPolarHBondContact O-CA 3.37Å; L143-Y147 WeakPolarHBondContact O-CB 3.41Å; L143-Y147 PolarHBondContact O-N 2.92Å; Y147-P149 HydrophobicContact CE1-CG 4.34Å; Y147-L151 HydrophobicContact CD2-CD1 3.64Å; Y147-L151 HydrophobicContact CE2-CD1 4.07Å; Y147-L151 HydrophobicContact CG-CD1 4.32Å | ||
| 148 | R | 96.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 67.2 Ų | 67.2 | 42% | 0.415 | 33% | 0.334 | S | S | . | . | trans | -136.9 | 144.5 | 167.4 | -54.9 | -172.8 | -58.4 | -93.1 | -0.5 | 109.3 | D150 L151 E155 | R148-D150 WeakPolarHBondContact CB-OD1 3.37Å; R148-D150 IonicContact NE-OD1 3.56Å; R148-D150 PolarHBondContact O-N 2.91Å; R148-D150 VanDerWaalsContact O-N 3.15Å; R148-L151 HydrophobicContact CB-CG 4.29Å; R148-L151 WeakPolarHBondContact O-CB 3.31Å; R148-L151 WeakPolarHBondContact O-CD1 3.33Å; R148-L151 WeakPolarHBondContact O-CG 3.45Å; R148-L151 PolarHBondContact O-N 3.32Å; R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 IonicContact NH2-OE1 2.68Å; R148-E155 PolarHBondContact NH2-OE1 2.84Å; R148-E155 IonicContact NH2-OE2 3.47Å | ||
| 149 | P | 95.3 | Very high | 97.3 | Very high | 98 Ų | 98 | 65.1 Ų | 65.1 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23 | 179.3 | -24.9 | 35.1 | 0 | 0 | 0 | 114.5 | Y147 | Y147-P149 HydrophobicContact CE1-CG 4.34Š|
| 150 | D | 96.2 | Very high | 97.3 | Very high | 112 Ų | 112 | 65.1 Ų | 65.1 | 60% | 0.599 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 16.6 | -178.5 | 67.3 | -23.4 | 0 | 0 | 0 | 113.5 | R148 S152 | R148-D150 WeakPolarHBondContact CB-OD1 3.37Å; R148-D150 IonicContact NE-OD1 3.56Å; R148-D150 PolarHBondContact O-N 2.91Å; R148-D150 VanDerWaalsContact O-N 3.15Å; D150-S152 PolarHBondContact O-N 3.16Å |
| 151 | L | 95.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | trans | -55.2 | 129.9 | 178.1 | -84.6 | 167.7 | 0 | 0 | 0 | 111.5 | P10 Y12 Y147 R148 E155 L159 | P10-L151 WeakPolarHBondContact CD-O 3.26Å; Y12-L151 PolarHBondContact OH-O 2.86Å; Y12-L151 VanDerWaalsContact OH-O 3.07Å; Y147-L151 HydrophobicContact CD2-CD1 3.64Å; Y147-L151 HydrophobicContact CE2-CD1 4.07Å; Y147-L151 HydrophobicContact CG-CD1 4.32Å; R148-L151 HydrophobicContact CB-CG 4.29Å; R148-L151 WeakPolarHBondContact O-CB 3.31Å; R148-L151 WeakPolarHBondContact O-CD1 3.33Å; R148-L151 WeakPolarHBondContact O-CG 3.45Å; R148-L151 PolarHBondContact O-N 3.32Å; L151-E155 HydrophobicContact CD2-CB 3.54Å; L151-L159 HydrophobicContact CD1-CD2 3.98Å | ||
| 152 | S | 97.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 68.6 Ų | 68.6 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | trans | -73.8 | 157.2 | 168.6 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | Y12 D150 V154 E155 A156 | Y12-S152 PolarHBondContact OH-O 3.42Å; D150-S152 PolarHBondContact O-N 3.16Å; S152-V154 PolarHBondContact O-N 2.92Å; S152-V154 VanDerWaalsContact O-N 3.16Å; S152-E155 WeakPolarHBondContact CB-OE2 3.38Å; S152-E155 PolarHBondContact N-OE2 3.43Å; S152-E155 PolarHBondContact O-N 3.04Å; S152-E155 VanDerWaalsContact OG-CG 3.22Å; S152-E155 WeakPolarHBondContact OG-CG 3.25Å; S152-E155 PolarHBondContact OG-N 2.94Å; S152-E155 PolarHBondContact OG-OE2 2.97Å; S152-A156 PolarHBondContact O-N 2.73Å | ||
| 153 | R | 96.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 67.4 Ų | 67.4 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51.3 | -41.5 | 177.9 | -61.7 | 178.9 | -172.2 | -156.1 | -2.4 | 112.2 | D11 Y12 V157 L182 D184 | D11-R153 IonicContact OD2-CZ 3.69Å; D11-R153 IonicContact OD2-NE 3.94Å; D11-R153 IonicContact OD2-NH2 3.54Å; D11-R153 PolarHBondContact OD2-NH2 3.31Å; Y12-R153 HydrophobicContact CD1-CG 3.49Å; Y12-R153 VanDerWaalsContact CD1-CG 3.49Å; Y12-R153 HydrophobicContact CD2-CG 4.4Å; Y12-R153 HydrophobicContact CE1-CB 4.26Å; Y12-R153 HydrophobicContact CE1-CG 3.47Å; Y12-R153 VanDerWaalsContact CE1-CG 3.47Å; Y12-R153 HydrophobicContact CE2-CG 4.39Å; Y12-R153 HydrophobicContact CG-CG 3.99Å; Y12-R153 WeakPolarHBondContact OH-CA 3.34Å; Y12-R153 PolarHBondContact OH-N 3.28Å; R153-V157 WeakPolarHBondContact O-CG2 3.47Å; R153-V157 PolarHBondContact O-N 3.18Å; R153-V157 VanDerWaalsContact O-N 3.14Å; R153-L182 HydrophobicContact CB-CD1 4.27Å; R153-L182 HydrophobicContact CG-CD1 4.04Å; R153-D184 IonicContact CZ-OD2 2.76Å; R153-D184 VanDerWaalsContact CZ-OD2 3.23Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 2.9Å; R153-D184 IonicContact NH2-OD2 3.75Å; R153-D184 PolarHBondContact NH2-OD2 2.9Å |
| 154 | V | 96 | Very high | 97 | Very high | 107 Ų | 107 | 67.5 Ų | 67.5 | 65% | 0.648 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.4 | -46.9 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | S152 A156 V157 E158 | S152-V154 PolarHBondContact O-N 2.92Å; S152-V154 VanDerWaalsContact O-N 3.16Å; V154-A156 VanDerWaalsContact C-N 3.3Å; V154-A156 PolarHBondContact O-N 3.49Å; V154-V157 PolarHBondContact O-N 3.29Å; V154-E158 PolarHBondContact O-N 3.49Å |
| 155 | E | 96.9 | Very high | 96.8 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 178.2 | -69.8 | 170.4 | 119.1 | 0 | 0 | 112.3 | R148 L151 S152 E158 L159 | R148-E155 IonicContact CZ-OE1 3.89Å; R148-E155 IonicContact NH2-OE1 2.68Å; R148-E155 PolarHBondContact NH2-OE1 2.84Å; R148-E155 IonicContact NH2-OE2 3.47Å; L151-E155 HydrophobicContact CD2-CB 3.54Å; S152-E155 WeakPolarHBondContact CB-OE2 3.38Å; S152-E155 PolarHBondContact N-OE2 3.43Å; S152-E155 PolarHBondContact O-N 3.04Å; S152-E155 VanDerWaalsContact OG-CG 3.22Å; S152-E155 WeakPolarHBondContact OG-CG 3.25Å; S152-E155 PolarHBondContact OG-N 2.94Å; S152-E155 PolarHBondContact OG-OE2 2.97Å; E155-E158 PolarHBondContact O-N 3.39Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 PolarHBondContact O-N 3.19Å |
| 156 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I7 Y12 L14 S152 V154 L159 L160 | I7-A156 HydrophobicContact CG2-CB 4.45Å; Y12-A156 HydrophobicContact CE2-CB 3.94Å; Y12-A156 WeakPolarHBondContact OH-CB 3.37Å; L14-A156 HydrophobicContact CD2-CB 4.07Å; S152-A156 PolarHBondContact O-N 2.73Å; V154-A156 VanDerWaalsContact C-N 3.3Å; V154-A156 PolarHBondContact O-N 3.49Å; A156-L159 PolarHBondContact O-N 3.24Å; A156-L160 WeakPolarHBondContact O-CB 3.34Å; A156-L160 PolarHBondContact O-N 3.21Å |
| 157 | V | 97.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.17 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | L14 R153 V154 L160 R161 M191 | L14-V157 HydrophobicContact CD1-CG2 4.3Å; L14-V157 HydrophobicContact CD2-CG2 4Å; R153-V157 WeakPolarHBondContact O-CG2 3.47Å; R153-V157 PolarHBondContact O-N 3.18Å; R153-V157 VanDerWaalsContact O-N 3.14Å; V154-V157 PolarHBondContact O-N 3.29Å; V157-L160 WeakPolarHBondContact O-CB 3.12Å; V157-L160 PolarHBondContact O-N 2.92Å; V157-R161 WeakPolarHBondContact O-CB 3.36Å; V157-R161 PolarHBondContact O-N 3.2Å; V157-M191 HydrophobicContact CG2-CE 4.23Å |
| 158 | E | 97 | Very high | 96.4 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 39% | 0.388 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 175.8 | -72.1 | -57.5 | 116.4 | 0 | 0 | 112.7 | V154 E155 R161 K162 | V154-E158 PolarHBondContact O-N 3.49Å; E155-E158 PolarHBondContact O-N 3.39Å; E158-R161 WeakPolarHBondContact O-CB 3.29Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-R161 IonicContact OE1-CZ 2.69Å; E158-R161 IonicContact OE1-NE 3.57Å; E158-R161 PolarHBondContact OE1-NE 2.89Å; E158-R161 VanDerWaalsContact OE1-NE 3.13Å; E158-R161 IonicContact OE1-NH2 3.02Å; E158-R161 IonicContact OE2-NE 2.67Å; E158-K162 WeakPolarHBondContact O-CG 3.31Å; E158-K162 PolarHBondContact O-N 2.88Å |
| 159 | L | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 171.4 | 178.5 | 54.5 | 0 | 0 | 0 | 111.3 | I7 I142 L143 Y146 L151 E155 A156 R161 K162 C163 | I7-L159 HydrophobicContact CD1-CD2 4.4Å; I7-L159 HydrophobicContact CD1-CG 4.32Å; I142-L159 HydrophobicContact CG2-CD1 4.14Å; L143-L159 HydrophobicContact CD2-CD1 4.39Å; L143-L159 HydrophobicContact CD2-CD2 3.9Å; L143-L159 HydrophobicContact CD2-CG 3.92Å; Y146-L159 HydrophobicContact CD2-CD1 4.31Å; Y146-L159 HydrophobicContact CG-CD1 4.36Å; L151-L159 HydrophobicContact CD1-CD2 3.98Å; E155-L159 WeakPolarHBondContact O-CB 3.45Å; E155-L159 PolarHBondContact O-N 3.19Å; A156-L159 PolarHBondContact O-N 3.24Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.43Å; L159-K162 WeakPolarHBondContact O-CB 3.44Å; L159-K162 PolarHBondContact O-N 3.34Å; L159-C163 PolarHBondContact O-N 2.94Å; L159-C163 VanDerWaalsContact O-N 3.13Å; L159-C163 PolarHBondContact O-SG 3.41Å |
| 160 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -43 | 174 | 174.5 | 63.3 | 0 | 0 | 0 | 111.2 | I5 I7 L14 A16 A156 V157 K162 C163 V164 V180 I194 | I5-L160 HydrophobicContact CD1-CD1 4.02Å; I5-L160 HydrophobicContact CG1-CD1 4.45Å; I5-L160 HydrophobicContact CG2-CD1 3.5Å; I7-L160 HydrophobicContact CD1-CB 4.23Å; L14-L160 HydrophobicContact CD2-CB 4.19Å; L14-L160 HydrophobicContact CD2-CD2 3.95Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; A16-L160 HydrophobicContact CB-CD1 3.97Å; A16-L160 HydrophobicContact CB-CD2 3.78Å; A16-L160 HydrophobicContact CB-CG 4.49Å; A156-L160 WeakPolarHBondContact O-CB 3.34Å; A156-L160 PolarHBondContact O-N 3.21Å; V157-L160 WeakPolarHBondContact O-CB 3.12Å; V157-L160 PolarHBondContact O-N 2.92Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 2.85Å; L160-C163 WeakPolarHBondContact O-CB 3.38Å; L160-C163 PolarHBondContact O-N 2.77Å; L160-C163 VanDerWaalsContact O-N 3.14Å; L160-V164 HydrophobicContact CD1-CG2 4.25Å; L160-V164 WeakPolarHBondContact O-CG2 2.85Å; L160-V164 PolarHBondContact O-N 2.97Å; L160-V180 HydrophobicContact CD2-CG1 3.92Å; L160-V180 HydrophobicContact CD2-CG2 4.01Å; L160-I194 HydrophobicContact CD2-CD1 3.68Å; L160-I194 HydrophobicContact CG-CD1 3.83Å |
| 161 | R | 96.8 | Very high | 96.2 | Very high | 107 Ų | 107 | 56.9 Ų | 56.9 | 40% | 0.404 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 176.2 | -169.7 | -171.2 | -67.7 | -97.7 | -3.2 | 111.3 | V157 E158 L159 C163 V164 E165 | V157-R161 WeakPolarHBondContact O-CB 3.36Å; V157-R161 PolarHBondContact O-N 3.2Å; E158-R161 WeakPolarHBondContact O-CB 3.29Å; E158-R161 PolarHBondContact O-N 3.36Å; E158-R161 IonicContact OE1-CZ 2.69Å; E158-R161 IonicContact OE1-NE 3.57Å; E158-R161 PolarHBondContact OE1-NE 2.89Å; E158-R161 VanDerWaalsContact OE1-NE 3.13Å; E158-R161 IonicContact OE1-NH2 3.02Å; E158-R161 IonicContact OE2-NE 2.67Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 3.43Å; R161-C163 VanDerWaalsContact C-N 3.33Å; R161-C163 PolarHBondContact O-N 3.46Å; R161-V164 PolarHBondContact O-N 3.41Å; R161-E165 WeakPolarHBondContact O-CB 3.01Å; R161-E165 WeakPolarHBondContact O-CG 3.36Å; R161-E165 PolarHBondContact O-N 3.35Å |
| 162 | K | 96.9 | Very high | 96.2 | Very high | 98 Ų | 98 | 64.1 Ų | 64.1 | 43% | 0.426 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 174.7 | -69.1 | 173.6 | -171.6 | -58.1 | 0 | 112.6 | I142 E158 L159 L160 E166 | I142-K162 HydrophobicContact CG2-CB 4.37Å; E158-K162 WeakPolarHBondContact O-CG 3.31Å; E158-K162 PolarHBondContact O-N 2.88Å; L159-K162 WeakPolarHBondContact O-CB 3.44Å; L159-K162 PolarHBondContact O-N 3.34Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 2.85Å; K162-E166 PolarHBondContact O-N 3.42Å; K162-E166 VanDerWaalsContact O-N 3.09Å |
| 163 | C | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | I5 T139 L159 L160 R161 E166 L167 | I5-C163 HydrophobicContact CD1-CB 4.1Å; T139-C163 HydrophobicContact CG2-CB 3.7Å; T139-C163 WeakPolarHBondContact CG2-O 3.05Å; L159-C163 PolarHBondContact O-N 2.94Å; L159-C163 VanDerWaalsContact O-N 3.13Å; L159-C163 PolarHBondContact O-SG 3.41Å; L160-C163 WeakPolarHBondContact O-CB 3.38Å; L160-C163 PolarHBondContact O-N 2.77Å; L160-C163 VanDerWaalsContact O-N 3.14Å; R161-C163 VanDerWaalsContact C-N 3.33Å; R161-C163 PolarHBondContact O-N 3.46Å; C163-E166 PolarHBondContact O-N 2.89Å; C163-L167 WeakPolarHBondContact O-CG 3.24Å; C163-L167 PolarHBondContact O-N 2.89Å; C163-L167 VanDerWaalsContact O-N 3.12Å |
| 164 | V | 95.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -38.3 | -179.9 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | L160 R161 L167 N168 F178 I194 L196 | L160-V164 HydrophobicContact CD1-CG2 4.25Å; L160-V164 WeakPolarHBondContact O-CG2 2.85Å; L160-V164 PolarHBondContact O-N 2.97Å; R161-V164 PolarHBondContact O-N 3.41Å; V164-L167 WeakPolarHBondContact O-CB 3.49Å; V164-L167 PolarHBondContact O-N 3.1Å; V164-N168 PolarHBondContact O-N 2.99Å; V164-F178 HydrophobicContact CB-CD2 4.47Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.57Å; V164-F178 HydrophobicContact CG1-CE2 3.43Å; V164-F178 VanDerWaalsContact CG1-CE2 3.43Å; V164-F178 HydrophobicContact CG1-CZ 4.28Å; V164-F178 HydrophobicContact CG2-CD2 3.99Å; V164-F178 HydrophobicContact CG2-CE2 4.15Å; V164-F178 HydrophobicContact CG2-CG 4.2Å; V164-F178 HydrophobicContact CG2-CZ 4.45Å; V164-I194 HydrophobicContact CB-CG2 4.39Å; V164-I194 HydrophobicContact CG1-CG2 3.85Å; V164-L196 HydrophobicContact CG1-CD1 3.54Å; V164-L196 HydrophobicContact CG1-CD2 3.88Å; V164-L196 HydrophobicContact CG1-CG 3.73Å |
| 165 | E | 95.2 | Very high | 95.6 | Very high | 101 Ų | 101 | 61.1 Ų | 61.1 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 172.9 | -75.3 | 173 | -173.5 | 0 | 0 | 112.4 | R161 L167 N168 K169 | R161-E165 WeakPolarHBondContact O-CB 3.01Å; R161-E165 WeakPolarHBondContact O-CG 3.36Å; R161-E165 PolarHBondContact O-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 2.95Å; E165-N168 WeakPolarHBondContact O-CB 3.42Å; E165-N168 PolarHBondContact O-N 3.43Å; E165-K169 WeakPolarHBondContact O-CB 3.22Å; E165-K169 PolarHBondContact O-N 3.39Å |
| 166 | E | 95.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 59.4 Ų | 59.4 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -39 | 176.1 | -173.1 | 67.3 | -176 | 0 | 0 | 111.5 | I142 K162 C163 K169 R170 | I142-E166 HydrophobicContact CD1-CB 3.52Å; I142-E166 HydrophobicContact CD1-CG 3.71Å; K162-E166 PolarHBondContact O-N 3.42Å; K162-E166 VanDerWaalsContact O-N 3.09Å; C163-E166 PolarHBondContact O-N 2.89Å; E166-K169 PolarHBondContact O-N 2.78Å; E166-R170 PolarHBondContact O-N 2.82Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 WeakPolarHBondContact OE1-CG 3.43Å; E166-R170 IonicContact OE1-CZ 2.75Å; E166-R170 IonicContact OE1-NE 2.89Å; E166-R170 PolarHBondContact OE1-NE 3.32Å |
| 167 | L | 95.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 172.3 | -65.1 | 178.2 | 0 | 0 | 0 | 110.7 | Y3 G135 L138 T139 C163 V164 E165 K169 F171 F178 | Y3-L167 HydrophobicContact CD1-CD1 3.87Å; Y3-L167 HydrophobicContact CD2-CD1 4.37Å; Y3-L167 HydrophobicContact CE1-CD1 3.65Å; Y3-L167 HydrophobicContact CE2-CD1 4.21Å; Y3-L167 HydrophobicContact CG-CD1 4.17Å; G135-L167 VanDerWaalsContact CA-CD2 3.46Å; L138-L167 HydrophobicContact CB-CD2 4.34Å; L138-L167 HydrophobicContact CD1-CD2 4.23Å; T139-L167 HydrophobicContact CG2-CD1 4.26Å; T139-L167 HydrophobicContact CG2-CD2 3.85Å; T139-L167 HydrophobicContact CG2-CG 3.83Å; C163-L167 WeakPolarHBondContact O-CG 3.24Å; C163-L167 PolarHBondContact O-N 2.89Å; C163-L167 VanDerWaalsContact O-N 3.12Å; V164-L167 WeakPolarHBondContact O-CB 3.49Å; V164-L167 PolarHBondContact O-N 3.1Å; E165-L167 VanDerWaalsContact C-N 3.33Å; E165-L167 PolarHBondContact O-N 2.95Å; L167-K169 VanDerWaalsContact C-N 3.25Å; L167-K169 PolarHBondContact O-N 3.19Å; L167-F171 HydrophobicContact CB-CB 4.31Å; L167-F171 HydrophobicContact CD2-CB 4.17Å; L167-F171 HydrophobicContact CD2-CD1 4.49Å; L167-F171 HydrophobicContact CD2-CG 4.31Å; L167-F171 WeakPolarHBondContact O-CA 3.32Å; L167-F171 WeakPolarHBondContact O-CB 3.08Å; L167-F171 PolarHBondContact O-N 3.39Å; L167-F178 HydrophobicContact CD1-CE1 4.31Å; L167-F178 HydrophobicContact CD1-CZ 4.03Å |
| 168 | N | 93.3 | Very high | 95.2 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 176.6 | -165.8 | 13.8 | 0 | 0 | 0 | 111.8 | V164 E165 L196 T197 K199 | V164-N168 PolarHBondContact O-N 2.99Å; E165-N168 WeakPolarHBondContact O-CB 3.42Å; E165-N168 PolarHBondContact O-N 3.43Å; N168-L196 HydrophobicContact CB-CD1 3.67Å; N168-L196 HydrophobicContact CB-CD2 3.94Å; N168-L196 HydrophobicContact CB-CG 4.31Å; N168-T197 PolarHBondContact ND2-O 3.45Å; N168-K199 WeakPolarHBondContact O-CE 3.3Å; N168-K199 PolarHBondContact O-NZ 3Å |
| 169 | K | 93.8 | Very high | 95.2 | Very high | 142 Ų | 142 | 55.6 Ų | 55.6 | 62% | 0.617 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -72.4 | -47.6 | -174.7 | -172.5 | 173 | -179 | 172.9 | 0 | 112.8 | E165 E166 L167 K199 | E165-K169 WeakPolarHBondContact O-CB 3.22Å; E165-K169 PolarHBondContact O-N 3.39Å; E166-K169 PolarHBondContact O-N 2.78Å; L167-K169 VanDerWaalsContact C-N 3.25Å; L167-K169 PolarHBondContact O-N 3.19Å; K169-K199 PolarHBondContact O-NZ 2.95Å |
| 170 | R | 95.1 | Very high | 95.2 | Very high | 173 Ų | 173 | 55.5 Ų | 55.5 | 65% | 0.653 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -113.6 | -22.4 | -168 | -64.8 | -156 | -167.3 | -136.1 | 2.6 | 115.6 | L138 E166 | L138-R170 HydrophobicContact CD1-CB 4.24Å; E166-R170 PolarHBondContact O-N 2.82Å; E166-R170 WeakPolarHBondContact OE1-CD 3.4Å; E166-R170 WeakPolarHBondContact OE1-CG 3.43Å; E166-R170 IonicContact OE1-CZ 2.75Å; E166-R170 IonicContact OE1-NE 2.89Å; E166-R170 PolarHBondContact OE1-NE 3.32Å |
| 171 | F | 95.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | trans | -76.7 | 139.9 | -177.3 | -165.5 | -135.2 | 0 | 0 | 0 | 110.5 | L138 L167 L173 L175 | L138-F171 HydrophobicContact CD1-CB 3.92Å; L138-F171 HydrophobicContact CD1-CD2 4.06Å; L138-F171 HydrophobicContact CD1-CG 4.37Å; L167-F171 HydrophobicContact CB-CB 4.31Å; L167-F171 HydrophobicContact CD2-CB 4.17Å; L167-F171 HydrophobicContact CD2-CD1 4.49Å; L167-F171 HydrophobicContact CD2-CG 4.31Å; L167-F171 WeakPolarHBondContact O-CA 3.32Å; L167-F171 WeakPolarHBondContact O-CB 3.08Å; L167-F171 PolarHBondContact O-N 3.39Å; F171-L173 HydrophobicContact CD1-CB 3.94Å; F171-L173 HydrophobicContact CE1-CB 3.55Å; F171-L173 HydrophobicContact CE1-CD1 3.84Å; F171-L173 HydrophobicContact CE1-CG 3.82Å; F171-L173 HydrophobicContact CZ-CB 4.1Å; F171-L173 HydrophobicContact CZ-CD1 3.72Å; F171-L173 HydrophobicContact CZ-CG 3.83Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CD1-CG 4.46Å; F171-L175 HydrophobicContact CE1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CG 4.41Å | ||
| 172 | I | 94.8 | Very high | 95.3 | Very high | 157 Ų | 157 | 52.3 Ų | 52.3 | 81% | 0.805 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -76.7 | -26.1 | -175 | -170.6 | 59.2 | 0 | 0 | 0 | 112.8 | ||
| 173 | L | 93.1 | Very high | 95.4 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 37% | 0.372 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -86.6 | 140.9 | 179.3 | -54.4 | -178.3 | 0 | 0 | 0 | 110.6 | M1 F171 L175 | M1-L173 HydrophobicContact CB-CD1 3.86Å; F171-L173 HydrophobicContact CD1-CB 3.94Å; F171-L173 HydrophobicContact CE1-CB 3.55Å; F171-L173 HydrophobicContact CE1-CD1 3.84Å; F171-L173 HydrophobicContact CE1-CG 3.82Å; F171-L173 HydrophobicContact CZ-CB 4.1Å; F171-L173 HydrophobicContact CZ-CD1 3.72Å; F171-L173 HydrophobicContact CZ-CG 3.83Å; L173-L175 PolarHBondContact O-N 3.42Å |
| 174 | N | 89.8 | Confident | 95.4 | Very high | 101 Ų | 101 | 47.7 Ų | 47.7 | 54% | 0.54 | 23% | 0.228 | S | C | . | . | trans | -78.7 | 107.2 | 175.2 | -177.7 | 18.2 | 0 | 0 | 0 | 111.1 | Q27 | Q27-N174 PolarHBondContact NE2-O 3Š| ||
| 175 | L | 93.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | trans | -116.3 | 90.3 | 174.1 | -59.6 | -178.5 | 0 | 0 | 0 | 109.1 | D18 V20 F171 L173 F178 L196 | D18-L175 HydrophobicContact CB-CD1 4.25Å; D18-L175 HydrophobicContact CB-CD2 4.05Å; V20-L175 HydrophobicContact CB-CD2 4.37Å; V20-L175 HydrophobicContact CG2-CD2 4.1Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CD1-CG 4.46Å; F171-L175 HydrophobicContact CE1-CD1 3.91Å; F171-L175 HydrophobicContact CE1-CG 4.41Å; L173-L175 PolarHBondContact O-N 3.42Å; L175-F178 HydrophobicContact CB-CE2 4.22Å; L175-F178 HydrophobicContact CB-CZ 3.71Å; L175-F178 HydrophobicContact CD1-CE1 4.36Å; L175-F178 HydrophobicContact CD1-CZ 4.09Å; L175-L196 WeakPolarHBondContact O-CD1 3.41Å | ||
| 176 | P | 91.6 | Very high | 95.4 | Very high | 38 Ų | 38 | 54.5 Ų | 54.5 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | trans | -78 | -25.8 | -167.4 | 29.5 | -35.7 | 0 | 0 | 0 | 114.2 | V20 L196 | V20-P176 HydrophobicContact CG2-CG 4.44Å; P176-L196 PolarHBondContact O-N 3.36Å | ||
| 177 | S | 94.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 155.1 | -177 | 66.9 | 0 | 0 | 0 | 0 | 112.8 | N19 I194 | N19-S177 WeakPolarHBondContact CB-OG 3.44Å; N19-S177 PolarHBondContact N-O 3.3Å; N19-S177 VanDerWaalsContact N-O 3.09Å; N19-S177 PolarHBondContact OD1-O 3.02Å; N19-S177 PolarHBondContact OD1-OG 2.96Å; S177-I194 CarbonylContact C-O 3.55Å; S177-I194 VanDerWaalsContact CA-O 3.28Å; S177-I194 WeakPolarHBondContact CA-O 3.28Å |
| 178 | F | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131.6 | 179.4 | -61.5 | -98 | 0 | 0 | 0 | 110.5 | Y3 A17 D18 N19 V164 L167 L175 K193 I194 L196 | Y3-F178 HydrophobicContact CD1-CD1 4.26Å; Y3-F178 AromaticContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CD1-CE1 3.63Å; Y3-F178 HydrophobicContact CE1-CE1 4.23Å; A17-F178 CarbonylContact O-C 3.59Å; A17-F178 VanDerWaalsContact O-CA 3.22Å; A17-F178 WeakPolarHBondContact O-CA 3.42Å; D18-F178 HydrophobicContact CB-CD1 3.97Å; D18-F178 HydrophobicContact CB-CE1 3.69Å; D18-F178 HydrophobicContact CB-CZ 4.4Å; N19-F178 WeakPolarHBondContact OD1-CA 3.4Å; N19-F178 PolarHBondContact OD1-N 3.45Å; V164-F178 HydrophobicContact CB-CD2 4.47Å; V164-F178 HydrophobicContact CB-CE2 4.37Å; V164-F178 HydrophobicContact CG1-CD2 3.57Å; V164-F178 HydrophobicContact CG1-CE2 3.43Å; V164-F178 VanDerWaalsContact CG1-CE2 3.43Å; V164-F178 HydrophobicContact CG1-CZ 4.28Å; V164-F178 HydrophobicContact CG2-CD2 3.99Å; V164-F178 HydrophobicContact CG2-CE2 4.15Å; V164-F178 HydrophobicContact CG2-CG 4.2Å; V164-F178 HydrophobicContact CG2-CZ 4.45Å; L167-F178 HydrophobicContact CD1-CE1 4.31Å; L167-F178 HydrophobicContact CD1-CZ 4.03Å; L175-F178 HydrophobicContact CB-CE2 4.22Å; L175-F178 HydrophobicContact CB-CZ 3.71Å; L175-F178 HydrophobicContact CD1-CE1 4.36Å; L175-F178 HydrophobicContact CD1-CZ 4.09Å; F178-K193 WeakPolarHBondContact O-CA 3.22Å; F178-I194 PolarHBondContact N-O 3.15Å; F178-I194 PolarHBondContact O-N 2.93Å; F178-L196 HydrophobicContact CE2-CD1 4.09Å |
| 179 | N | 97.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136 | 164.1 | -78.7 | -10.1 | 0 | 0 | 0 | 108.3 | A16 A17 N19 D33 M35 K193 | A16-N179 WeakPolarHBondContact CA-O 3.26Å; A16-N179 WeakPolarHBondContact CB-O 3.45Å; A17-N179 PolarHBondContact N-O 3.35Å; A17-N179 PolarHBondContact O-N 3.03Å; N19-N179 PolarHBondContact ND2-ND2 2.84Å; N19-N179 PolarHBondContact ND2-OD1 3.4Å; N19-N179 PolarHBondContact OD1-N 3.4Å; D33-N179 VanDerWaalsContact CG-ND2 3.28Å; D33-N179 PolarHBondContact OD1-ND2 2.8Å; M35-N179 HydrophobicContact CE-CB 4.13Å; M35-N179 VanDerWaalsContact CE-O 3.26Å; M35-N179 WeakPolarHBondContact CE-O 3.47Å; N179-K193 WeakPolarHBondContact OD1-CE 3.42Å; N179-K193 PolarHBondContact OD1-NZ 3.44Å |
| 180 | V | 98.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.3 | 179.4 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | L14 V15 A16 L160 M191 I194 | L14-V180 HydrophobicContact CD1-CG1 3.58Å; L14-V180 HydrophobicContact CG-CG1 4.37Å; V15-V180 WeakPolarHBondContact O-CA 3.49Å; A16-V180 HydrophobicContact CB-CG2 4Å; L160-V180 HydrophobicContact CD2-CG1 3.92Å; L160-V180 HydrophobicContact CD2-CG2 4.01Å; V180-M191 HydrophobicContact CB-CB 4.02Å; V180-M191 HydrophobicContact CG1-CB 3.98Å; V180-M191 HydrophobicContact CG1-CG 4.28Å; V180-M191 WeakPolarHBondContact O-CB 3.45Å; V180-M191 PolarHBondContact O-N 3.02Å; V180-I194 HydrophobicContact CG2-CD1 3.84Å; V180-I194 HydrophobicContact CG2-CG1 3.87Å |
| 181 | R | 98.4 | Very high | 95.9 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.2 | 174.7 | -68.5 | -173.6 | 175.4 | 138.6 | 10.8 | 110.2 | V15 D33 M35 L43 I188 H189 D190 | V15-R181 HydrophobicContact CG2-CB 4.04Å; V15-R181 PolarHBondContact N-O 3.41Å; V15-R181 PolarHBondContact O-N 3.35Å; D33-R181 IonicContact OD2-CZ 3.23Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.19Å; D33-R181 IonicContact OD2-NH2 3.85Å; D33-R181 PolarHBondContact OD2-NH2 3.45Å; M35-R181 PolarHBondContact O-NH1 3.33Å; M35-R181 HydrophobicContact SD-CB 4.16Å; M35-R181 HydrophobicContact SD-CG 3.89Å; L43-R181 HydrophobicContact CD1-CB 3.81Å; L43-R181 HydrophobicContact CD1-CG 4.36Å; R181-I188 HydrophobicContact CB-CG2 4.46Å; R181-H189 WeakPolarHBondContact CA-O 3.26Å; R181-D190 WeakPolarHBondContact CG-OD1 3.16Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.76Å; R181-D190 PolarHBondContact NE-OD1 3.4Å; R181-D190 IonicContact NH2-OD1 2.72Å |
| 182 | L | 98.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.1 | 173.9 | -176.1 | 139.7 | 0 | 0 | 0 | 109 | Y12 L14 R153 D184 H189 M191 | Y12-L182 HydrophobicContact CD2-CD1 3.69Å; Y12-L182 HydrophobicContact CD2-CG 4.18Å; Y12-L182 HydrophobicContact CE2-CD1 4.31Å; Y12-L182 HydrophobicContact CG-CD1 4.07Å; Y12-L182 HydrophobicContact CG-CG 4.43Å; L14-L182 HydrophobicContact CD1-CB 4.28Å; L14-L182 HydrophobicContact CD1-CD1 4.4Å; R153-L182 HydrophobicContact CB-CD1 4.27Å; R153-L182 HydrophobicContact CG-CD1 4.04Å; L182-D184 HydrophobicContact CD2-CB 4.06Å; L182-H189 PolarHBondContact N-O 3.46Å; L182-H189 PolarHBondContact O-N 3.06Å; L182-M191 HydrophobicContact CB-CG 4.12Å; L182-M191 HydrophobicContact CB-SD 4.25Å |
| 183 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.3 | 177.2 | -43.7 | 174.5 | 0 | 0 | 0 | 107.8 | Y12 V13 L43 A105 H107 G187 I188 | Y12-I183 CarbonylContact C-O 3.49Å; Y12-I183 WeakPolarHBondContact CA-O 3.35Å; Y12-I183 WeakPolarHBondContact CB-O 3.36Å; V13-I183 PolarHBondContact N-O 3Å; V13-I183 PolarHBondContact O-N 3.18Å; L43-I183 HydrophobicContact CB-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CD1 3.77Å; L43-I183 HydrophobicContact CD1-CG1 3.9Å; L43-I183 HydrophobicContact CG-CD1 3.91Å; L43-I183 HydrophobicContact CG-CG1 4.41Å; A105-I183 HydrophobicContact CB-CD1 3.58Å; A105-I183 VanDerWaalsContact O-CD1 3.3Å; A105-I183 WeakPolarHBondContact O-CD1 3.46Å; H107-I183 HydrophobicContact CB-CG2 4.03Å; I183-G187 WeakPolarHBondContact CA-O 3.47Å; I183-I188 HydrophobicContact CG1-CG1 4.26Å; I183-I188 HydrophobicContact CG2-CG1 4.27Å |
| 184 | D | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | -168.8 | 173.7 | 68.7 | 12.5 | 0 | 0 | 0 | 111 | R153 L182 D186 G187 H189 | R153-D184 IonicContact CZ-OD2 2.76Å; R153-D184 VanDerWaalsContact CZ-OD2 3.23Å; R153-D184 IonicContact NH1-OD2 2.83Å; R153-D184 PolarHBondContact NH1-OD2 2.9Å; R153-D184 IonicContact NH2-OD2 3.75Å; R153-D184 PolarHBondContact NH2-OD2 2.9Å; L182-D184 HydrophobicContact CD2-CB 4.06Å; D184-D186 PolarHBondContact O-N 3.19Å; D184-D186 VanDerWaalsContact O-N 3.16Å; D184-D186 WeakPolarHBondContact OD1-CA 3.14Å; D184-D186 WeakPolarHBondContact OD1-CB 3.28Å; D184-D186 PolarHBondContact OD1-N 3.38Å; D184-G187 PolarHBondContact N-O 3.3Å; D184-G187 PolarHBondContact O-N 2.94Å; D184-G187 VanDerWaalsContact O-N 3.15Å; D184-G187 PolarHBondContact OD1-N 2.72Å; D184-H189 IonicContact OD1-CD2 3.33Å; D184-H189 IonicContact OD1-CE1 3.56Å; D184-H189 IonicContact OD1-NE2 2.68Å; D184-H189 PolarHBondContact OD1-NE2 2.95Å; D184-H189 IonicContact OD2-CD2 3.67Å; D184-H189 IonicContact OD2-NE2 2.95Å; D184-H189 PolarHBondContact OD2-NE2 3.38Å |
| 185 | K | 96.4 | Very high | 95.7 | Very high | 126 Ų | 126 | 51.8 Ų | 51.8 | 55% | 0.548 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.7 | 177.9 | 66 | 176.6 | -173.7 | 176.4 | 0 | 114.2 | K41 | K41-K185 VanDerWaalsContact CE-O 3.22Å; K41-K185 WeakPolarHBondContact CE-O 3.37Å; K41-K185 PolarHBondContact NZ-O 3.38Å; K41-K185 VanDerWaalsContact NZ-O 3.15Å |
| 186 | D | 96.3 | Very high | 95.1 | Very high | 119 Ų | 119 | 52.8 Ų | 52.8 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -10.5 | -174.4 | -59.8 | -44.9 | 0 | 0 | 0 | 111.6 | D184 | D184-D186 PolarHBondContact O-N 3.19Å; D184-D186 VanDerWaalsContact O-N 3.16Å; D184-D186 WeakPolarHBondContact OD1-CA 3.14Å; D184-D186 WeakPolarHBondContact OD1-CB 3.28Å; D184-D186 PolarHBondContact OD1-N 3.38Å |
| 187 | G | 96.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 127 | -149.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | E40 I183 D184 | E40-G187 WeakPolarHBondContact O-CA 3.35Å; I183-G187 WeakPolarHBondContact CA-O 3.47Å; D184-G187 PolarHBondContact N-O 3.3Å; D184-G187 PolarHBondContact O-N 2.94Å; D184-G187 VanDerWaalsContact O-N 3.15Å; D184-G187 PolarHBondContact OD1-N 2.72Å |
| 188 | I | 98.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.3 | -179.7 | -62.9 | 157.2 | 0 | 0 | 0 | 109.4 | K37 E40 L43 R181 I183 | K37-I188 HydrophobicContact CD-CD1 4.2Å; K37-I188 HydrophobicContact CG-CD1 3.82Å; E40-I188 WeakPolarHBondContact O-CG1 3.38Å; E40-I188 PolarHBondContact O-N 3.03Å; L43-I188 HydrophobicContact CD1-CD1 4.46Å; L43-I188 HydrophobicContact CD1-CG1 4.3Å; L43-I188 HydrophobicContact CD1-CG2 3.82Å; L43-I188 HydrophobicContact CD2-CD1 3.87Å; L43-I188 HydrophobicContact CD2-CG2 4.38Å; L43-I188 HydrophobicContact CG-CD1 3.73Å; L43-I188 HydrophobicContact CG-CG1 4.04Å; L43-I188 HydrophobicContact CG-CG2 4.25Å; R181-I188 HydrophobicContact CB-CG2 4.46Å; I183-I188 HydrophobicContact CG1-CG1 4.26Å; I183-I188 HydrophobicContact CG2-CG1 4.27Å |
| 189 | H | 97.7 | Very high | 89.6 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.7 | 179 | -51.6 | -78.7 | 0 | 0 | 0 | 110.2 | R181 L182 D184 M191 | R181-H189 WeakPolarHBondContact CA-O 3.26Å; L182-H189 PolarHBondContact N-O 3.46Å; L182-H189 PolarHBondContact O-N 3.06Å; D184-H189 IonicContact OD1-CD2 3.33Å; D184-H189 IonicContact OD1-CE1 3.56Å; D184-H189 IonicContact OD1-NE2 2.68Å; D184-H189 PolarHBondContact OD1-NE2 2.95Å; D184-H189 IonicContact OD2-CD2 3.67Å; D184-H189 IonicContact OD2-NE2 2.95Å; D184-H189 PolarHBondContact OD2-NE2 3.38Å; H189-M191 PolarHBondContact O-N 3.21Å |
| 190 | D | 97 | Very high | 89.2 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 65% | 0.652 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.3 | 169.5 | -73.1 | -49.4 | 0 | 0 | 0 | 109.4 | R181 | R181-D190 WeakPolarHBondContact CG-OD1 3.16Å; R181-D190 IonicContact CZ-OD1 3.67Å; R181-D190 IonicContact NE-OD1 3.76Å; R181-D190 PolarHBondContact NE-OD1 3.4Å; R181-D190 IonicContact NH2-OD1 2.72Å |
| 191 | M | 95.3 | Very high | 88.8 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 38% | 0.384 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -97 | 166.4 | 178.7 | -61.1 | -72.7 | -69.9 | 0 | 0 | 110.1 | V157 V180 L182 H189 K193 | V157-M191 HydrophobicContact CG2-CE 4.23Å; V180-M191 HydrophobicContact CB-CB 4.02Å; V180-M191 HydrophobicContact CG1-CB 3.98Å; V180-M191 HydrophobicContact CG1-CG 4.28Å; V180-M191 WeakPolarHBondContact O-CB 3.45Å; V180-M191 PolarHBondContact O-N 3.02Å; L182-M191 HydrophobicContact CB-CG 4.12Å; L182-M191 HydrophobicContact CB-SD 4.25Å; H189-M191 PolarHBondContact O-N 3.21Å; M191-K193 PolarHBondContact O-N 2.84Å |
| 192 | E | 93.3 | Very high | 88.2 | Confident | 179 Ų | 179 | 79.5 Ų | 79.5 | 84% | 0.836 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 134.1 | 172.3 | -169.3 | 178.1 | -176.6 | 0 | 0 | 110.5 | I194 | E192-I194 PolarHBondContact O-N 3.47Š|
| 193 | K | 91.9 | Very high | 87.7 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 43% | 0.426 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.9 | 177.7 | -64.5 | -169.3 | -175.4 | -166 | 0 | 109.8 | F178 N179 M191 T195 | F178-K193 WeakPolarHBondContact O-CA 3.22Å; N179-K193 WeakPolarHBondContact OD1-CE 3.42Å; N179-K193 PolarHBondContact OD1-NZ 3.44Å; M191-K193 PolarHBondContact O-N 2.84Å; K193-T195 PolarHBondContact O-N 2.7Å |
| 194 | I | 92.4 | Very high | 87 | Confident | 17 Ų | 17 | 89.1 Ų | 89.1 | 9% | 0.087 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 108.9 | 171.1 | -62.5 | 173.3 | 0 | 0 | 0 | 106.8 | L160 V164 S177 F178 V180 E192 | L160-I194 HydrophobicContact CD2-CD1 3.68Å; L160-I194 HydrophobicContact CG-CD1 3.83Å; V164-I194 HydrophobicContact CB-CG2 4.39Å; V164-I194 HydrophobicContact CG1-CG2 3.85Å; S177-I194 CarbonylContact C-O 3.55Å; S177-I194 VanDerWaalsContact CA-O 3.28Å; S177-I194 WeakPolarHBondContact CA-O 3.28Å; F178-I194 PolarHBondContact N-O 3.15Å; F178-I194 PolarHBondContact O-N 2.93Å; V180-I194 HydrophobicContact CG2-CD1 3.84Å; V180-I194 HydrophobicContact CG2-CG1 3.87Å; E192-I194 PolarHBondContact O-N 3.47Å |
| 195 | T | 89.8 | Confident | 86.3 | Confident | 105 Ų | 105 | 94.9 Ų | 94.9 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.5 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 109.4 | K193 | K193-T195 PolarHBondContact O-N 2.7Å |
| 196 | L | 82.2 | Confident | 85.6 | Confident | 32 Ų | 32 | 92.7 Ų | 92.7 | 17% | 0.168 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 134.8 | 174.6 | -73 | 163.5 | 0 | 0 | 0 | 109 | V164 N168 L175 P176 F178 A198 | V164-L196 HydrophobicContact CG1-CD1 3.54Å; V164-L196 HydrophobicContact CG1-CD2 3.88Å; V164-L196 HydrophobicContact CG1-CG 3.73Å; N168-L196 HydrophobicContact CB-CD1 3.67Å; N168-L196 HydrophobicContact CB-CD2 3.94Å; N168-L196 HydrophobicContact CB-CG 4.31Å; L175-L196 WeakPolarHBondContact O-CD1 3.41Å; P176-L196 PolarHBondContact O-N 3.36Å; F178-L196 HydrophobicContact CE2-CD1 4.09Å; L196-A198 PolarHBondContact O-N 3.11Å |
| 197 | T | 63.9 | Low | 84.8 | Confident | 130 Ų | 130 | 90.7 Ų | 90.7 | 80% | 0.798 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 130.8 | 168.3 | -13.1 | 0 | 0 | 0 | 0 | 108.2 | N168 | N168-T197 PolarHBondContact ND2-O 3.45Š|
| 198 | A | 54.8 | Low | 83.8 | Confident | 96 Ų | 96 | 97.8 Ų | 97.8 | 79% | 0.793 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 142.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L196 | L196-A198 PolarHBondContact O-N 3.11Š|
| 199 | K | 49.6 | Very low | 82.5 | Confident | 207 Ų | 207 | 103.2 Ų | 103.2 | 90% | 0.9 | 55% | 0.547 | S | S | * | . | trans | -64 | 0 | 169.8 | -86.3 | 176.1 | 169.9 | 165.7 | 0 | 111.9 | N168 K169 | N168-K199 WeakPolarHBondContact O-CE 3.3Å; N168-K199 PolarHBondContact O-NZ 3Å; K169-K199 PolarHBondContact O-NZ 2.95Å |
Retrieved 199 of 199 residues in 1581.7 ms
(Link to these results)