| 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 | 89.6 | Confident | 97.7 | Very high | 99 Ų | 99 | 28.5 Ų | 28.5 | 49% | 0.488 | 15% | 0.152 | S | C | . | . | 0 | 134.2 | 0 | 175.3 | 57.2 | 81.2 | 0 | 0 | 107.2 | Y134 F171 L173 | M1-Y134 HydrophobicContact CB-CD2 4.28Å; M1-Y134 HydrophobicContact CE-CD1 3.73Å; M1-Y134 HydrophobicContact CE-CD2 3.38Å; M1-Y134 HydrophobicContact CE-CE1 3.63Å; M1-Y134 HydrophobicContact CE-CE2 3.26Å; M1-Y134 HydrophobicContact CE-CG 3.59Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.39Å; M1-Y134 HydrophobicContact CG-CG 4.06Å; M1-Y134 HydrophobicContact SD-CD2 4.3Å; M1-Y134 HydrophobicContact SD-CG 4.37Å; M1-F171 HydrophobicContact CG-CZ 4.44Å; M1-L173 HydrophobicContact CB-CD1 3.6Å; M1-L173 HydrophobicContact CG-CD1 4.39Å | |||
| 2 | E | 97.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 26.3 Ų | 26.3 | 18% | 0.178 | 14% | 0.14 | C | C | . | . | trans | -112.2 | 161.2 | -173.1 | -57 | 170.2 | 103.6 | 0 | 0 | 108.6 | D18 K34 V47 G48 G133 | E2-D18 WeakPolarHBondContact CA-OD1 3.34Å; E2-K34 HydrophobicContact CB-CD 4.22Å; E2-K34 HydrophobicContact CG-CD 4.41Å; E2-K34 VanDerWaalsContact CG-CE 3.49Å; E2-K34 WeakPolarHBondContact OE1-CE 3.35Å; E2-V47 HydrophobicContact CB-CB 3.84Å; E2-V47 HydrophobicContact CB-CG1 3.37Å; E2-V47 HydrophobicContact CG-CB 4.46Å; E2-V47 HydrophobicContact CG-CG1 4.16Å; E2-V47 WeakPolarHBondContact OE2-CA 3.28Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.44Å; E2-G48 PolarHBondContact OE2-N 3.16Å; E2-G133 WeakPolarHBondContact O-CA 3.5Å | ||
| 3 | Y | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 13% | 0.129 | C | C | . | . | trans | -130.1 | 127.3 | -179.8 | 179.8 | -108.7 | 0 | 0 | 0 | 110.8 | I5 S17 D18 A131 G135 T139 L164 L167 F178 | Y3-I5 HydrophobicContact CE1-CB 3.88Å; Y3-I5 HydrophobicContact CE1-CG2 3.7Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.13Å; Y3-S17 WeakPolarHBondContact O-CA 3.45Å; Y3-D18 PolarHBondContact N-OD1 2.78Å; Y3-D18 PolarHBondContact O-N 3.24Å; Y3-A131 HydrophobicContact CE2-CB 4.23Å; Y3-G135 VanDerWaalsContact CE2-C 3.41Å; Y3-T139 HydrophobicContact CE2-CG2 4.5Å; Y3-T139 VanDerWaalsContact OH-CB 3.31Å; Y3-T139 WeakPolarHBondContact OH-CB 2.9Å; Y3-T139 VanDerWaalsContact OH-CG2 3.31Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.22Å; Y3-T139 PolarHBondContact OH-OG1 2.9Å; Y3-L164 HydrophobicContact CD1-CD2 4.3Å; Y3-L164 HydrophobicContact CE1-CD2 3.8Å; Y3-L167 HydrophobicContact CD1-CD1 3.6Å; Y3-L167 HydrophobicContact CD2-CD1 4.21Å; Y3-L167 HydrophobicContact CE1-CD1 3.55Å; Y3-L167 HydrophobicContact CE2-CD1 4.17Å; Y3-L167 HydrophobicContact CG-CD1 3.91Å; Y3-F178 HydrophobicContact CD1-CD1 4.31Å; Y3-F178 AromaticContact CD1-CE1 3.83Å; Y3-F178 HydrophobicContact CD1-CE1 3.83Å | ||
| 4 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.5 | 171.1 | -53.8 | -179.2 | 0 | 0 | 0 | 109.4 | K34 L45 V47 L103 A131 H132 | L4-K34 HydrophobicContact CD2-CB 4.33Å; L4-K34 HydrophobicContact CD2-CD 4.47Å; L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.95Å; L4-L45 HydrophobicContact CD2-CD2 4.1Å; L4-L45 HydrophobicContact CG-CB 4.34Å; L4-V47 HydrophobicContact CD1-CB 4.26Å; L4-V47 HydrophobicContact CD1-CG1 3.79Å; L4-V47 HydrophobicContact CD1-CG2 3.63Å; L4-V47 HydrophobicContact CD2-CG1 3.6Å; L4-V47 HydrophobicContact CG-CB 4.37Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; L4-L103 HydrophobicContact CB-CD1 3.86Å; L4-L103 HydrophobicContact CB-CG 4.36Å; L4-L103 HydrophobicContact CD1-CG 4.44Å; L4-A131 CarbonylContact O-C 3.58Å; L4-A131 WeakPolarHBondContact O-CA 3.45Å; L4-A131 VanDerWaalsContact O-CB 3.27Å; L4-A131 WeakPolarHBondContact O-CB 3.43Å; L4-H132 HydrophobicContact CB-CB 4.19Å; L4-H132 HydrophobicContact CD1-CB 4.32Å; L4-H132 HydrophobicContact CG-CB 4.42Å; L4-H132 PolarHBondContact N-O 3.38Å; L4-H132 PolarHBondContact O-N 2.88Å |
| 5 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 140.2 | 173.1 | -179.7 | 169 | 0 | 0 | 0 | 109.9 | Y3 I7 V15 A16 A130 A131 L143 L160 C163 | Y3-I5 HydrophobicContact CE1-CB 3.88Å; Y3-I5 HydrophobicContact CE1-CG2 3.7Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.13Å; I5-I7 HydrophobicContact CD1-CD1 4.41Å; I5-I7 HydrophobicContact CG1-CG1 4.36Å; I5-V15 CarbonylContact O-C 3.48Å; I5-V15 WeakPolarHBondContact O-CA 3.31Å; I5-A16 HydrophobicContact CG2-CB 3.68Å; I5-A16 PolarHBondContact N-O 2.79Å; I5-A16 PolarHBondContact O-N 2.91Å; I5-A130 CarbonylContact C-O 3.53Å; I5-A130 WeakPolarHBondContact CA-O 3.32Å; I5-A131 HydrophobicContact CB-CB 4.48Å; I5-L143 HydrophobicContact CD1-CD1 3.94Å; I5-L143 HydrophobicContact CD1-CD2 4.28Å; I5-L143 HydrophobicContact CG1-CD1 4.38Å; I5-L160 HydrophobicContact CD1-CD1 4.04Å; I5-L160 HydrophobicContact CG2-CD1 3.51Å; I5-C163 HydrophobicContact CD1-CB 4.11Å |
| 6 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 141.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | L14 L115 F129 A130 | G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.22Å; G6-L115 VanDerWaalsContact C-CD2 3.41Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; G6-F129 CarbonylContact O-C 3.54Å; G6-F129 WeakPolarHBondContact O-CA 3.07Å; G6-F129 WeakPolarHBondContact O-CB 3.42Å; G6-A130 PolarHBondContact N-O 3.45Å; G6-A130 PolarHBondContact O-N 3.27Å |
| 7 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 116.6 | 178.9 | -51.8 | 176.6 | 0 | 0 | 0 | 108.1 | I5 L14 L143 Y147 A156 L159 L160 | I5-I7 HydrophobicContact CD1-CD1 4.41Å; I5-I7 HydrophobicContact CG1-CG1 4.36Å; I7-L14 HydrophobicContact CB-CB 4.49Å; I7-L14 PolarHBondContact N-O 3.34Å; I7-L14 PolarHBondContact O-N 3.35Å; I7-L143 HydrophobicContact CD1-CD2 3.73Å; I7-L143 HydrophobicContact CG1-CD2 4.05Å; I7-Y147 HydrophobicContact CG2-CD2 3.95Å; I7-Y147 HydrophobicContact CG2-CE2 3.95Å; I7-A156 HydrophobicContact CG2-CB 4.36Å; I7-L159 HydrophobicContact CD1-CD2 4.43Å; I7-L159 HydrophobicContact CD1-CG 4.37Å; I7-L160 HydrophobicContact CD1-CB 4.31Å |
| 8 | Q | 98.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 17.7 Ų | 17.7 | 15% | 0.154 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.3 | 178.8 | -162.4 | -150.3 | -72.3 | 0 | 0 | 109.9 | V13 P113 L115 K126 P128 Y147 | Q8-V13 HydrophobicContact CG-CG2 4.17Å; Q8-P113 HydrophobicContact CG-CB 3.98Å; Q8-P113 HydrophobicContact CG-CG 4.17Å; Q8-P113 PolarHBondContact NE2-O 2.91Å; Q8-P113 PolarHBondContact OE1-O 3.44Å; Q8-L115 HydrophobicContact CB-CB 4.32Å; Q8-K126 VanDerWaalsContact OE1-NZ 3.13Å; Q8-P128 WeakPolarHBondContact CA-O 3.46Å; Q8-P128 WeakPolarHBondContact CB-O 3.27Å; Q8-P128 PolarHBondContact N-O 2.91Å; Q8-Y147 VanDerWaalsContact O-CE2 3.25Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.25Å; Q8-Y147 PolarHBondContact O-OH 2.78Å |
| 9 | G | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | trans | -96 | -166 | 168 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y12 P113 | G9-Y12 PolarHBondContact N-O 3.42Å; G9-P113 VanDerWaalsContact O-CG 3.26Å; G9-P113 WeakPolarHBondContact O-CG 3.36Å | ||
| 10 | P | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 19 Ų | 19 | 47% | 0.474 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -65.1 | -41.7 | 177.5 | -25.4 | 35.8 | 0 | 0 | 0 | 114.4 | P113 P149 I151 | P10-P113 VanDerWaalsContact O-CD 3.25Å; P10-P113 WeakPolarHBondContact O-CD 3.27Å; P10-P113 VanDerWaalsContact O-CG 3.29Å; P10-P113 WeakPolarHBondContact O-CG 3.47Å; P10-P149 WeakPolarHBondContact CG-O 3.13Å; P10-I151 WeakPolarHBondContact CD-O 3.5Å |
| 11 | D | 98 | Very high | 98 | Very high | 67 Ų | 67 | 19.5 Ų | 19.5 | 36% | 0.358 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -129.5 | 11.7 | -171.8 | 70.4 | -53 | 0 | 0 | 0 | 113.1 | Y107 R153 | D11-Y107 VanDerWaalsContact O-CE2 3.24Å; D11-Y107 WeakPolarHBondContact O-CE2 3.33Å; D11-R153 IonicContact OD2-CZ 3.44Å; D11-R153 IonicContact OD2-NE 3.72Å; D11-R153 IonicContact OD2-NH2 3.96Å; D11-R153 PolarHBondContact OD2-NH2 3.43Å |
| 12 | Y | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 163.2 | -177.3 | 69.4 | -84.1 | 0 | 0 | 0 | 113 | G9 L14 P113 I151 S152 R153 A156 I182 I183 | G9-Y12 PolarHBondContact N-O 3.42Å; Y12-L14 HydrophobicContact CD2-CB 4.28Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; Y12-P113 WeakPolarHBondContact O-CB 3.35Å; Y12-I151 WeakPolarHBondContact CE1-O 3.5Å; Y12-I151 PolarHBondContact OH-O 3.14Å; Y12-S152 PolarHBondContact OH-O 3.4Å; Y12-R153 HydrophobicContact CD1-CG 3.4Å; Y12-R153 HydrophobicContact CD2-CG 4.17Å; Y12-R153 HydrophobicContact CE1-CB 4.28Å; Y12-R153 HydrophobicContact CE1-CG 3.43Å; Y12-R153 VanDerWaalsContact CE1-CG 3.43Å; Y12-R153 HydrophobicContact CE2-CG 4.2Å; Y12-R153 HydrophobicContact CG-CG 3.79Å; Y12-R153 PolarHBondContact OH-N 3.46Å; Y12-A156 HydrophobicContact CE2-CB 3.93Å; Y12-A156 WeakPolarHBondContact OH-CB 3.4Å; Y12-I182 HydrophobicContact CD2-CD1 3.59Å; Y12-I182 HydrophobicContact CD2-CG1 3.91Å; Y12-I182 HydrophobicContact CE2-CD1 4.34Å; Y12-I182 HydrophobicContact CG-CD1 3.84Å; Y12-I182 HydrophobicContact CG-CG1 4.23Å; Y12-I183 CarbonylContact C-O 3.58Å; Y12-I183 WeakPolarHBondContact CA-O 3.48Å; Y12-I183 WeakPolarHBondContact CB-O 3.39Å |
| 13 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.9 | 164.1 | -167.6 | 0 | 0 | 0 | 0 | 108.6 | Q8 V15 A105 P113 L115 I182 I183 | Q8-V13 HydrophobicContact CG-CG2 4.17Å; V13-V15 HydrophobicContact CG1-CG1 4.08Å; V13-A105 HydrophobicContact CB-CB 4.13Å; V13-A105 HydrophobicContact CG1-CB 3.63Å; V13-P113 HydrophobicContact CG2-CB 3.55Å; V13-L115 HydrophobicContact CG1-CB 4.14Å; V13-L115 HydrophobicContact CG1-CD1 4.25Å; V13-I182 WeakPolarHBondContact O-CA 3.42Å; V13-I183 PolarHBondContact N-O 3.17Å; V13-I183 PolarHBondContact O-N 3.06Å |
| 14 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131 | 171.4 | 178.6 | 69.1 | 0 | 0 | 0 | 108.5 | G6 I7 Y12 A156 V157 L160 V180 I182 L191 | G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.22Å; I7-L14 HydrophobicContact CB-CB 4.49Å; I7-L14 PolarHBondContact N-O 3.34Å; I7-L14 PolarHBondContact O-N 3.35Å; Y12-L14 HydrophobicContact CD2-CB 4.28Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; L14-A156 HydrophobicContact CD2-CB 3.93Å; L14-V157 HydrophobicContact CD1-CG2 4.16Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; L14-L160 HydrophobicContact CD2-CB 4.1Å; L14-L160 HydrophobicContact CD2-CD2 4.01Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; L14-V180 HydrophobicContact CD1-CG1 3.64Å; L14-I182 HydrophobicContact CD1-CB 4.42Å; L14-L191 HydrophobicContact CD1-CD1 3.97Å |
| 15 | V | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.2 | 176.9 | -65 | 0 | 0 | 0 | 0 | 110.9 | I5 V13 M35 L43 L45 A105 V180 R181 | I5-V15 CarbonylContact O-C 3.48Å; I5-V15 WeakPolarHBondContact O-CA 3.31Å; V13-V15 HydrophobicContact CG1-CG1 4.08Å; V15-M35 HydrophobicContact CG2-CE 4.22Å; V15-M35 HydrophobicContact CG2-SD 3.8Å; V15-L43 HydrophobicContact CG2-CD1 4.01Å; V15-L45 HydrophobicContact CB-CD1 4.01Å; V15-L45 HydrophobicContact CB-CD2 3.93Å; V15-L45 HydrophobicContact CG1-CD1 3.95Å; V15-L45 HydrophobicContact CG2-CD1 4.13Å; V15-L45 HydrophobicContact CG2-CD2 4.35Å; V15-A105 HydrophobicContact CG1-CB 3.48Å; V15-A105 VanDerWaalsContact CG1-CB 3.48Å; V15-V180 WeakPolarHBondContact O-CA 3.37Å; V15-R181 HydrophobicContact CG2-CB 4Å; V15-R181 PolarHBondContact N-O 3.44Å; V15-R181 PolarHBondContact O-N 2.85Å |
| 16 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | I5 L160 S179 V180 | I5-A16 HydrophobicContact CG2-CB 3.68Å; I5-A16 PolarHBondContact N-O 2.79Å; I5-A16 PolarHBondContact O-N 2.91Å; A16-L160 HydrophobicContact CB-CD1 3.87Å; A16-L160 HydrophobicContact CB-CD2 3.82Å; A16-L160 HydrophobicContact CB-CG 4.48Å; A16-S179 CarbonylContact C-O 3.57Å; A16-S179 WeakPolarHBondContact CA-O 3.42Å; A16-S179 WeakPolarHBondContact CB-O 3.44Å; A16-V180 HydrophobicContact CB-CG2 4.1Å |
| 17 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.5 | 175.4 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | Y3 M35 F178 S179 | Y3-S17 WeakPolarHBondContact O-CA 3.45Å; S17-M35 VanDerWaalsContact OG-CE 3.3Å; S17-M35 WeakPolarHBondContact OG-CE 3.28Å; S17-F178 CarbonylContact O-C 3.56Å; S17-F178 VanDerWaalsContact O-CA 3.28Å; S17-F178 WeakPolarHBondContact O-CA 3.34Å; S17-S179 PolarHBondContact N-O 3.21Å; S17-S179 PolarHBondContact O-N 3.14Å |
| 18 | D | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 153.2 | 171.9 | 83.9 | -80.3 | 0 | 0 | 0 | 111.1 | E2 Y3 V20 K34 L175 F178 | E2-D18 WeakPolarHBondContact CA-OD1 3.34Å; Y3-D18 PolarHBondContact N-OD1 2.78Å; Y3-D18 PolarHBondContact O-N 3.24Å; D18-V20 WeakPolarHBondContact OD2-CB 3.42Å; D18-V20 PolarHBondContact OD2-N 3.24Å; D18-K34 PolarHBondContact O-NZ 3.33Å; D18-K34 WeakPolarHBondContact OD1-CE 3.49Å; D18-K34 IonicContact OD1-NZ 2.76Å; D18-K34 PolarHBondContact OD1-NZ 3.27Å; D18-K34 IonicContact OD2-NZ 3.46Å; D18-K34 PolarHBondContact OD2-NZ 3.05Å; D18-L175 HydrophobicContact CB-CB 4.46Å; D18-L175 HydrophobicContact CB-CD1 4.06Å; D18-L175 HydrophobicContact CB-CD2 4.02Å; D18-L175 HydrophobicContact CB-CG 4.42Å; D18-F178 VanDerWaalsContact CA-CD1 3.46Å; D18-F178 HydrophobicContact CB-CD1 3.83Å; D18-F178 HydrophobicContact CB-CE1 3.64Å |
| 19 | R | 98.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 50.6 Ų | 50.6 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | trans | -102.1 | 13.6 | -177 | -57.7 | -175.7 | 69.1 | -168.2 | 1.2 | 115 | D30 D31 H32 T177 S179 N193 | R19-D30 WeakPolarHBondContact CB-O 3.34Å; R19-D30 CarbonylContact O-C 3.53Å; R19-D30 WeakPolarHBondContact O-CA 3.45Å; R19-D31 VanDerWaalsContact NH2-CA 3.32Å; R19-D31 PolarHBondContact NH2-O 3.15Å; R19-D31 PolarHBondContact O-N 3.48Å; R19-H32 WeakPolarHBondContact CA-O 3.4Å; R19-H32 VanDerWaalsContact O-CB 3.31Å; R19-H32 WeakPolarHBondContact O-CB 3.33Å; R19-H32 PolarHBondContact O-N 2.76Å; R19-T177 PolarHBondContact N-O 3.45Å; R19-S179 WeakPolarHBondContact CD-OG 3.41Å; R19-S179 WeakPolarHBondContact CG-OG 3.38Å; R19-S179 PolarHBondContact NE-OG 3.42Å; R19-N193 PolarHBondContact NH1-ND2 3.04Å | ||
| 20 | V | 97.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | trans | -90.7 | 131.3 | -176.6 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | D18 A22 Q27 K29 K34 L175 | D18-V20 WeakPolarHBondContact OD2-CB 3.42Å; D18-V20 PolarHBondContact OD2-N 3.24Å; V20-A22 HydrophobicContact CG1-CB 4.2Å; V20-Q27 HydrophobicContact CG1-CB 3.99Å; V20-K29 WeakPolarHBondContact CA-O 3.34Å; V20-K34 PolarHBondContact O-NZ 2.85Å; V20-L175 HydrophobicContact CB-CD2 3.95Å; V20-L175 HydrophobicContact CG2-CD2 3.81Å | ||
| 21 | A | 97.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 110.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | M28 K29 H32 | A21-M28 PolarHBondContact O-N 2.97Å; A21-K29 HydrophobicContact CB-CB 3.92Å; A21-K29 PolarHBondContact N-O 3.21Å; A21-K29 PolarHBondContact O-N 2.95Å; A21-H32 HydrophobicContact CB-CB 4.17Å |
| 22 | A | 96.8 | Very high | 97.3 | Very high | 70 Ų | 70 | 53 Ų | 53 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 142.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V20 V26 | V20-A22 HydrophobicContact CG1-CB 4.2Å; A22-V26 WeakPolarHBondContact CA-O 3.21Å |
| 23 | S | 96.9 | Very high | 97.3 | Very high | 61 Ų | 61 | 55.7 Ų | 55.7 | 43% | 0.427 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 121.8 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | I25 V26 M28 | S23-I25 PolarHBondContact O-N 3.17Å; S23-V26 PolarHBondContact N-O 3.45Å; S23-V26 WeakPolarHBondContact O-CG2 3.38Å; S23-V26 PolarHBondContact O-N 2.64Å; S23-V26 VanDerWaalsContact O-N 3.16Å; S23-V26 VanDerWaalsContact O-O 3.13Å; S23-M28 WeakPolarHBondContact CB-SD 3.39Å |
| 24 | N | 95.7 | Very high | 97.3 | Very high | 151 Ų | 151 | 55.8 Ų | 55.8 | 81% | 0.807 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | -124.3 | -172.4 | -167.7 | -98.1 | 0 | 0 | 0 | 111 | ||
| 25 | I | 94.2 | Very high | 97.3 | Very high | 158 Ų | 158 | 56.3 Ų | 56.3 | 81% | 0.81 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -2.2 | -178.2 | 64.3 | 177.5 | 0 | 0 | 0 | 114.6 | S23 | S23-I25 PolarHBondContact O-N 3.17Š|
| 26 | V | 95.5 | Very high | 97.3 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 52% | 0.515 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 148.1 | -174.4 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | A22 S23 M28 | A22-V26 WeakPolarHBondContact CA-O 3.21Å; S23-V26 PolarHBondContact N-O 3.45Å; S23-V26 WeakPolarHBondContact O-CG2 3.38Å; S23-V26 PolarHBondContact O-N 2.64Å; S23-V26 VanDerWaalsContact O-N 3.16Å; S23-V26 VanDerWaalsContact O-O 3.13Å; V26-M28 HydrophobicContact CG2-CG 4.47Å |
| 27 | Q | 95.8 | Very high | 97.2 | Very high | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123 | 162.1 | 54.6 | 160.4 | 35.8 | 0 | 0 | 109.4 | V20 | V20-Q27 HydrophobicContact CG1-CB 3.99Å |
| 28 | M | 97.4 | Very high | 97.2 | Very high | 144 Ų | 144 | 62 Ų | 62 | 71% | 0.709 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -24.2 | 176.7 | -64.3 | -167.1 | 74.1 | 0 | 0 | 112.6 | A21 S23 V26 | A21-M28 PolarHBondContact O-N 2.97Å; S23-M28 WeakPolarHBondContact CB-SD 3.39Å; V26-M28 HydrophobicContact CG2-CG 4.47Å |
| 29 | K | 97.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.4 | 178.8 | -167.4 | 174 | 173 | 62.7 | 0 | 109.5 | V20 A21 D31 H32 | V20-K29 WeakPolarHBondContact CA-O 3.34Å; A21-K29 HydrophobicContact CB-CB 3.92Å; A21-K29 PolarHBondContact N-O 3.21Å; A21-K29 PolarHBondContact O-N 2.95Å; K29-D31 WeakPolarHBondContact CE-OD1 2.81Å; K29-D31 WeakPolarHBondContact CG-OD1 3.29Å; K29-D31 IonicContact NZ-OD1 3.01Å; K29-D31 PolarHBondContact NZ-OD1 3.46Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 2.89Å; K29-H32 HydrophobicContact CD-CB 4.05Å; K29-H32 HydrophobicContact CG-CB 4.25Å |
| 30 | D | 95.8 | Very high | 97 | Very high | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -115.2 | 4.1 | 179.6 | 62.2 | -1 | 0 | 0 | 0 | 113.7 | R19 T177 | R19-D30 WeakPolarHBondContact CB-O 3.34Å; R19-D30 CarbonylContact O-C 3.53Å; R19-D30 WeakPolarHBondContact O-CA 3.45Å; D30-T177 PolarHBondContact O-OG1 3.06Å |
| 31 | D | 97 | Very high | 97.1 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -124.5 | 21.2 | 179.5 | 67.8 | -39.7 | 0 | 0 | 0 | 112.2 | R19 K29 | R19-D31 VanDerWaalsContact NH2-CA 3.32Å; R19-D31 PolarHBondContact NH2-O 3.15Å; R19-D31 PolarHBondContact O-N 3.48Å; K29-D31 WeakPolarHBondContact CE-OD1 2.81Å; K29-D31 WeakPolarHBondContact CG-OD1 3.29Å; K29-D31 IonicContact NZ-OD1 3.01Å; K29-D31 PolarHBondContact NZ-OD1 3.46Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 2.89Å |
| 32 | H | 97.5 | Very high | 97.1 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | trans | -67.3 | 135.5 | -179.2 | -171.1 | -112.8 | 0 | 0 | 0 | 112 | R19 A21 K29 | R19-H32 WeakPolarHBondContact CA-O 3.4Å; R19-H32 VanDerWaalsContact O-CB 3.31Å; R19-H32 WeakPolarHBondContact O-CB 3.33Å; R19-H32 PolarHBondContact O-N 2.76Å; A21-H32 HydrophobicContact CB-CB 4.17Å; K29-H32 HydrophobicContact CD-CB 4.05Å; K29-H32 HydrophobicContact CG-CB 4.25Å | ||
| 33 | D | 98.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | trans | -108.3 | 128.9 | 177.3 | -162.3 | -23.8 | 0 | 0 | 0 | 110 | M35 R181 | D33-M35 PolarHBondContact OD1-N 3.48Å; D33-R181 IonicContact OD1-CZ 3.71Å; D33-R181 IonicContact OD1-NH1 3.4Å; D33-R181 PolarHBondContact OD1-NH1 2.62Å; D33-R181 IonicContact OD1-NH2 2.73Å; D33-R181 IonicContact OD2-CZ 3.76Å; D33-R181 VanDerWaalsContact OD2-CZ 3.27Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.26Å; D33-R181 IonicContact OD2-NH2 2.9Å; D33-R181 PolarHBondContact OD2-NH2 3.32Å | ||
| 34 | K | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | trans | -107.4 | 7.8 | -175.7 | -58.9 | -178 | 169.2 | 89.8 | 0 | 112.6 | E2 L4 D18 V20 L45 C46 V47 | E2-K34 HydrophobicContact CB-CD 4.22Å; E2-K34 HydrophobicContact CG-CD 4.41Å; E2-K34 VanDerWaalsContact CG-CE 3.49Å; E2-K34 WeakPolarHBondContact OE1-CE 3.35Å; L4-K34 HydrophobicContact CD2-CB 4.33Å; L4-K34 HydrophobicContact CD2-CD 4.47Å; D18-K34 PolarHBondContact O-NZ 3.33Å; D18-K34 WeakPolarHBondContact OD1-CE 3.49Å; D18-K34 IonicContact OD1-NZ 2.76Å; D18-K34 PolarHBondContact OD1-NZ 3.27Å; D18-K34 IonicContact OD2-NZ 3.46Å; D18-K34 PolarHBondContact OD2-NZ 3.05Å; V20-K34 PolarHBondContact O-NZ 2.85Å; K34-L45 WeakPolarHBondContact O-CA 3.36Å; K34-C46 PolarHBondContact O-N 2.85Å; K34-V47 HydrophobicContact CD-CG1 3.82Å | ||
| 35 | M | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.069 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.6 | -179.7 | -32.1 | -172.1 | -176.5 | 0 | 0 | 111.2 | V15 S17 D33 L43 L44 L45 S179 R181 | V15-M35 HydrophobicContact CG2-CE 4.22Å; V15-M35 HydrophobicContact CG2-SD 3.8Å; S17-M35 VanDerWaalsContact OG-CE 3.3Å; S17-M35 WeakPolarHBondContact OG-CE 3.28Å; D33-M35 PolarHBondContact OD1-N 3.48Å; M35-L43 HydrophobicContact SD-CD1 4.36Å; M35-L44 CarbonylContact C-O 3.55Å; M35-L44 WeakPolarHBondContact CA-O 3.42Å; M35-L45 HydrophobicContact CB-CG 4.17Å; M35-L45 HydrophobicContact CE-CD2 3.89Å; M35-L45 HydrophobicContact CG-CD2 3.93Å; M35-L45 HydrophobicContact CG-CG 3.8Å; M35-L45 HydrophobicContact SD-CD2 3.96Å; M35-L45 HydrophobicContact SD-CG 4.18Å; M35-S179 VanDerWaalsContact CE-O 3.3Å; M35-S179 WeakPolarHBondContact CE-O 3.4Å; M35-R181 VanDerWaalsContact CB-NH1 3.28Å; M35-R181 HydrophobicContact SD-CB 4.25Å; M35-R181 HydrophobicContact SD-CG 3.95Å; M35-R181 PolarHBondContact SD-NH1 3.5Å |
| 36 | F | 98.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.8 | -176.6 | -61.8 | -100.1 | 0 | 0 | 0 | 108.7 | M38 L44 C46 V54 A57 E58 | F36-M38 HydrophobicContact CB-CE 3.3Å; F36-M38 HydrophobicContact CG-CE 4.36Å; F36-M38 PolarHBondContact O-N 2.91Å; F36-L44 PolarHBondContact N-O 2.94Å; F36-L44 PolarHBondContact O-N 2.75Å; F36-C46 HydrophobicContact CD2-CB 4.27Å; F36-C46 HydrophobicContact CE2-CB 3.98Å; F36-V54 HydrophobicContact CZ-CG2 4.49Å; F36-A57 HydrophobicContact CB-CB 4.43Å; F36-A57 HydrophobicContact CD1-CB 3.81Å; F36-A57 HydrophobicContact CD2-CB 3.52Å; F36-A57 HydrophobicContact CE1-CB 3.85Å; F36-A57 HydrophobicContact CE2-CB 3.57Å; F36-A57 HydrophobicContact CG-CB 3.66Å; F36-A57 HydrophobicContact CZ-CB 3.73Å; F36-E58 HydrophobicContact CD1-CG 4.38Å; F36-E58 HydrophobicContact CE1-CG 4.12Å |
| 37 | K | 98.4 | Very high | 97.8 | Very high | 90 Ų | 90 | 39.3 Ų | 39.3 | 39% | 0.391 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 110.9 | 175.3 | -177.5 | 177.4 | 179.4 | -177 | 0 | 110.4 | S39 E40 L43 Q61 I188 | K37-S39 WeakPolarHBondContact CE-O 3.38Å; K37-S39 VanDerWaalsContact CG-O 3.23Å; K37-S39 WeakPolarHBondContact CG-O 3.38Å; K37-E40 WeakPolarHBondContact CE-OE2 3.41Å; K37-E40 IonicContact NZ-OE1 3.72Å; K37-E40 PolarHBondContact NZ-OE1 3.36Å; K37-E40 IonicContact NZ-OE2 2.95Å; K37-E40 PolarHBondContact NZ-OE2 3.45Å; K37-L43 HydrophobicContact CB-CD2 4.21Å; K37-Q61 VanDerWaalsContact O-CG 3.31Å; K37-Q61 WeakPolarHBondContact O-CG 3.44Å; K37-Q61 PolarHBondContact O-NE2 2.86Å; K37-I188 HydrophobicContact CD-CD1 4.13Å; K37-I188 HydrophobicContact CG-CD1 3.77Å |
| 38 | M | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -41.2 | -179.9 | -63.5 | -64 | 135.8 | 0 | 0 | 111.7 | F36 I42 L44 A57 I60 Q61 V64 Q65 | F36-M38 HydrophobicContact CB-CE 3.3Å; F36-M38 HydrophobicContact CG-CE 4.36Å; F36-M38 PolarHBondContact O-N 2.91Å; M38-I42 HydrophobicContact CB-CB 3.97Å; M38-I42 HydrophobicContact CB-CG2 3.71Å; M38-I42 HydrophobicContact CG-CG2 4.1Å; M38-I42 PolarHBondContact N-O 2.73Å; M38-L44 HydrophobicContact CE-CB 3.47Å; M38-L44 VanDerWaalsContact CE-CB 3.47Å; M38-L44 HydrophobicContact CE-CD2 3.72Å; M38-L44 HydrophobicContact CE-CG 4.23Å; M38-L44 HydrophobicContact CG-CB 3.8Å; M38-L44 HydrophobicContact SD-CB 4.21Å; M38-L44 HydrophobicContact SD-CD2 4.48Å; M38-A57 WeakPolarHBondContact CE-O 3.22Å; M38-I60 HydrophobicContact SD-CB 4.5Å; M38-I60 HydrophobicContact SD-CG2 3.92Å; M38-Q61 HydrophobicContact CE-CB 3.81Å; M38-Q61 HydrophobicContact CE-CG 4.23Å; M38-Q61 WeakPolarHBondContact SD-CA 3.32Å; M38-Q61 HydrophobicContact SD-CB 3.87Å; M38-Q61 HydrophobicContact SD-CG 4.24Å; M38-V64 HydrophobicContact CB-CG1 4.3Å; M38-V64 WeakPolarHBondContact O-CG1 3.37Å; M38-Q65 PolarHBondContact O-NE2 2.95Å |
| 39 | S | 96.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | -173.5 | 175.1 | 88.3 | 0 | 0 | 0 | 0 | 110 | K37 K41 I42 E74 | K37-S39 WeakPolarHBondContact CE-O 3.38Å; K37-S39 VanDerWaalsContact CG-O 3.23Å; K37-S39 WeakPolarHBondContact CG-O 3.38Å; S39-K41 PolarHBondContact O-N 3.01Å; S39-K41 PolarHBondContact OG-N 2.83Å; S39-I42 PolarHBondContact N-O 2.95Å; S39-I42 WeakPolarHBondContact OG-CG1 3.31Å; S39-I42 PolarHBondContact OG-N 3.05Å; S39-E74 VanDerWaalsContact CB-OE2 3.26Å; S39-E74 WeakPolarHBondContact CB-OE2 3.43Å; S39-E74 PolarHBondContact OG-OE2 3.42Å |
| 40 | E | 96.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 41% | 0.411 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.8 | 177.1 | -63.5 | -44.1 | 125.4 | 0 | 0 | 113.4 | K37 K68 E74 G187 I188 | K37-E40 WeakPolarHBondContact CE-OE2 3.41Å; K37-E40 IonicContact NZ-OE1 3.72Å; K37-E40 PolarHBondContact NZ-OE1 3.36Å; K37-E40 IonicContact NZ-OE2 2.95Å; K37-E40 PolarHBondContact NZ-OE2 3.45Å; E40-K68 IonicContact OE1-NZ 2.73Å; E40-E74 WeakPolarHBondContact CG-OE1 3.49Å; E40-E74 PolarHBondContact N-OE1 3.31Å; E40-E74 VanDerWaalsContact N-OE1 3.17Å; E40-E74 PolarHBondContact N-OE2 3.39Å; E40-G187 WeakPolarHBondContact O-CA 3.5Å; E40-I188 PolarHBondContact O-N 3.38Å |
| 41 | K | 98 | Very high | 97.7 | Very high | 36 Ų | 36 | 34.8 Ų | 34.8 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | 16.4 | -174.7 | -59.6 | 177 | -177.3 | 179.1 | 0 | 113.5 | S39 G106 Y107 E109 I183 K185 | S39-K41 PolarHBondContact O-N 3.01Å; S39-K41 PolarHBondContact OG-N 2.83Å; K41-G106 CarbonylContact O-C 3.49Å; K41-G106 WeakPolarHBondContact O-CA 3.25Å; K41-Y107 WeakPolarHBondContact CB-O 3.28Å; K41-Y107 PolarHBondContact O-N 3.26Å; K41-E109 VanDerWaalsContact NZ-CG 3.29Å; K41-E109 IonicContact NZ-OE1 2.74Å; K41-E109 PolarHBondContact NZ-OE1 3.2Å; K41-I183 WeakPolarHBondContact O-CG2 3.38Å; K41-K185 VanDerWaalsContact CE-O 3.29Å; K41-K185 WeakPolarHBondContact CE-O 3.16Å; K41-K185 PolarHBondContact NZ-O 2.86Å |
| 42 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126 | -179.3 | -57.3 | 173.3 | 0 | 0 | 0 | 110.8 | M38 S39 L75 P77 A80 L104 A105 | M38-I42 HydrophobicContact CB-CB 3.97Å; M38-I42 HydrophobicContact CB-CG2 3.71Å; M38-I42 HydrophobicContact CG-CG2 4.1Å; M38-I42 PolarHBondContact N-O 2.73Å; S39-I42 PolarHBondContact N-O 2.95Å; S39-I42 WeakPolarHBondContact OG-CG1 3.31Å; S39-I42 PolarHBondContact OG-N 3.05Å; I42-L75 WeakPolarHBondContact CD1-O 3.41Å; I42-P77 HydrophobicContact CD1-CG 4.4Å; I42-P77 HydrophobicContact CG1-CB 4.47Å; I42-P77 HydrophobicContact CG1-CG 4.17Å; I42-A80 HydrophobicContact CD1-CB 3.87Å; I42-L104 HydrophobicContact CG2-CD1 4.16Å; I42-L104 HydrophobicContact CG2-CD2 3.89Å; I42-L104 HydrophobicContact CG2-CG 3.95Å; I42-A105 WeakPolarHBondContact CA-O 3.42Å |
| 43 | L | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137 | 167.4 | -70 | 176.4 | 0 | 0 | 0 | 110.5 | V15 M35 K37 L45 A105 R181 I183 I188 | V15-L43 HydrophobicContact CG2-CD1 4.01Å; M35-L43 HydrophobicContact SD-CD1 4.36Å; K37-L43 HydrophobicContact CB-CD2 4.21Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L43-A105 PolarHBondContact N-O 2.83Å; L43-A105 PolarHBondContact O-N 2.76Å; L43-A105 VanDerWaalsContact O-O 3.13Å; L43-R181 HydrophobicContact CD1-CB 3.88Å; L43-R181 HydrophobicContact CD1-CG 4.38Å; L43-I183 HydrophobicContact CB-CD1 3.75Å; L43-I183 HydrophobicContact CD1-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CG1 3.93Å; L43-I183 HydrophobicContact CG-CD1 3.75Å; L43-I183 HydrophobicContact CG-CG1 4.27Å; L43-I188 HydrophobicContact CD1-CG1 4.36Å; L43-I188 HydrophobicContact CD1-CG2 3.8Å; L43-I188 HydrophobicContact CD2-CD1 3.65Å; L43-I188 HydrophobicContact CD2-CG1 4.3Å; L43-I188 HydrophobicContact CD2-CG2 4.16Å; L43-I188 HydrophobicContact CG-CD1 3.74Å; L43-I188 HydrophobicContact CG-CG1 3.96Å; L43-I188 HydrophobicContact CG-CG2 4.14Å |
| 44 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.1 | 166.1 | -174.9 | 71.8 | 0 | 0 | 0 | 108.8 | M35 F36 M38 A57 L102 L104 | M35-L44 CarbonylContact C-O 3.55Å; M35-L44 WeakPolarHBondContact CA-O 3.42Å; F36-L44 PolarHBondContact N-O 2.94Å; F36-L44 PolarHBondContact O-N 2.75Å; M38-L44 HydrophobicContact CE-CB 3.47Å; M38-L44 VanDerWaalsContact CE-CB 3.47Å; M38-L44 HydrophobicContact CE-CD2 3.72Å; M38-L44 HydrophobicContact CE-CG 4.23Å; M38-L44 HydrophobicContact CG-CB 3.8Å; M38-L44 HydrophobicContact SD-CB 4.21Å; M38-L44 HydrophobicContact SD-CD2 4.48Å; L44-A57 HydrophobicContact CD2-CB 4.16Å; L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD1 4.41Å; L44-L102 HydrophobicContact CD1-CD2 4.44Å; L44-L102 HydrophobicContact CD2-CD2 4.46Å; L44-L104 HydrophobicContact CD1-CB 4.03Å; L44-L104 HydrophobicContact CD1-CD1 4.3Å; L44-L104 HydrophobicContact CD1-CG 4.47Å |
| 45 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129 | 171.1 | -62.6 | 84.1 | 0 | 0 | 0 | 107.9 | L4 V15 K34 M35 L43 L102 L103 | L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.95Å; L4-L45 HydrophobicContact CD2-CD2 4.1Å; L4-L45 HydrophobicContact CG-CB 4.34Å; V15-L45 HydrophobicContact CB-CD1 4.01Å; V15-L45 HydrophobicContact CB-CD2 3.93Å; V15-L45 HydrophobicContact CG1-CD1 3.95Å; V15-L45 HydrophobicContact CG2-CD1 4.13Å; V15-L45 HydrophobicContact CG2-CD2 4.35Å; K34-L45 WeakPolarHBondContact O-CA 3.36Å; M35-L45 HydrophobicContact CB-CG 4.17Å; M35-L45 HydrophobicContact CE-CD2 3.89Å; M35-L45 HydrophobicContact CG-CD2 3.93Å; M35-L45 HydrophobicContact CG-CG 3.8Å; M35-L45 HydrophobicContact SD-CD2 3.96Å; M35-L45 HydrophobicContact SD-CG 4.18Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L45-L102 VanDerWaalsContact O-CA 3.25Å; L45-L102 WeakPolarHBondContact O-CA 3.34Å; L45-L103 HydrophobicContact CB-CB 4.25Å; L45-L103 HydrophobicContact CD1-CB 4.34Å; L45-L103 PolarHBondContact N-O 3.03Å; L45-L103 PolarHBondContact O-N 3.28Å |
| 46 | C | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.8 | -171.2 | -171.7 | 0 | 0 | 0 | 0 | 111 | K34 F36 T53 A57 L102 | K34-C46 PolarHBondContact O-N 2.85Å; F36-C46 HydrophobicContact CD2-CB 4.27Å; F36-C46 HydrophobicContact CE2-CB 3.98Å; C46-T53 PolarHBondContact SG-O 3.08Å; C46-A57 HydrophobicContact CB-CB 4.03Å; C46-L102 HydrophobicContact CB-CD2 3.75Å; C46-L102 WeakPolarHBondContact SG-CD2 3.42Å |
| 47 | V | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.8 | 176 | -69.9 | 0 | 0 | 0 | 0 | 110.4 | E2 L4 K34 V100 N101 H132 | E2-V47 HydrophobicContact CB-CB 3.84Å; E2-V47 HydrophobicContact CB-CG1 3.37Å; E2-V47 HydrophobicContact CG-CB 4.46Å; E2-V47 HydrophobicContact CG-CG1 4.16Å; E2-V47 WeakPolarHBondContact OE2-CA 3.28Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.44Å; L4-V47 HydrophobicContact CD1-CB 4.26Å; L4-V47 HydrophobicContact CD1-CG1 3.79Å; L4-V47 HydrophobicContact CD1-CG2 3.63Å; L4-V47 HydrophobicContact CD2-CG1 3.6Å; L4-V47 HydrophobicContact CG-CB 4.37Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; K34-V47 HydrophobicContact CD-CG1 3.82Å; V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.34Å; V47-N101 HydrophobicContact CG2-CB 4.09Å; V47-N101 PolarHBondContact N-O 3.48Å; V47-N101 PolarHBondContact O-N 2.82Å; V47-H132 HydrophobicContact CG2-CB 4.07Å |
| 48 | G | 97.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 35 Ų | 35 | 32% | 0.32 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 143 | -143.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2 T53 H99 | E2-G48 PolarHBondContact OE2-N 3.16Å; G48-T53 VanDerWaalsContact N-CG2 3.26Å; G48-H99 WeakPolarHBondContact CA-O 3.46Å |
| 49 | E | 96.4 | Very high | 97.7 | Very high | 110 Ų | 110 | 40 Ų | 40 | 51% | 0.514 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -69.3 | 138.5 | -178 | -174.5 | 165.4 | 165 | 0 | 0 | 112.2 | G51 D52 T53 H99 | E49-G51 PolarHBondContact O-N 3.17Å; E49-D52 HydrophobicContact CB-CB 4.27Å; E49-D52 PolarHBondContact O-N 3.18Å; E49-T53 WeakPolarHBondContact O-CG2 3.26Å; E49-T53 PolarHBondContact O-N 3.39Å; E49-T53 PolarHBondContact O-OG1 3.25Å; E49-H99 HydrophobicContact CB-CB 3.88Å; E49-H99 PolarHBondContact N-O 3.32Å |
| 50 | A | 95 | Very high | 97.8 | Very high | 93 Ų | 93 | 40 Ų | 40 | 77% | 0.769 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | 133.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | D52 | A50-D52 VanDerWaalsContact C-N 3.33Å; A50-D52 PolarHBondContact O-N 3.15Å |
| 51 | G | 96.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 37.5 Ų | 37.5 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | -59.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E49 T53 V54 Q55 | E49-G51 PolarHBondContact O-N 3.17Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 2.88Å; G51-V54 PolarHBondContact O-N 2.94Å; G51-Q55 WeakPolarHBondContact O-CB 3.38Å; G51-Q55 WeakPolarHBondContact O-CG 3.36Å; G51-Q55 PolarHBondContact O-N 3.19Å |
| 52 | D | 97.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.6 | -43.9 | -179.8 | -77.2 | 9.7 | 0 | 0 | 0 | 112.7 | E49 A50 V54 Q55 F56 Y98 H99 V100 | E49-D52 HydrophobicContact CB-CB 4.27Å; E49-D52 PolarHBondContact O-N 3.18Å; A50-D52 VanDerWaalsContact C-N 3.33Å; A50-D52 PolarHBondContact O-N 3.15Å; D52-V54 PolarHBondContact O-N 2.93Å; D52-Q55 PolarHBondContact O-N 2.98Å; D52-F56 WeakPolarHBondContact O-CB 3.16Å; D52-F56 PolarHBondContact O-N 3.22Å; D52-Y98 HydrophobicContact CB-CD1 4.05Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.3Å; D52-H99 PolarHBondContact OD2-N 3.24Å; D52-V100 HydrophobicContact CB-CG1 3.93Å |
| 53 | T | 96.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.1 | -54.3 | -178.2 | 46.4 | 0 | 0 | 0 | 0 | 112.9 | C46 G48 E49 G51 A57 V100 | C46-T53 PolarHBondContact SG-O 3.08Å; G48-T53 VanDerWaalsContact N-CG2 3.26Å; E49-T53 WeakPolarHBondContact O-CG2 3.26Å; E49-T53 PolarHBondContact O-N 3.39Å; E49-T53 PolarHBondContact O-OG1 3.25Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 2.88Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 3.22Å; T53-V100 HydrophobicContact CG2-CG1 4.08Å |
| 54 | V | 97.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 43.8 Ų | 43.8 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.6 | -46.2 | -178.1 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | F36 G51 D52 F56 A57 E58 | F36-V54 HydrophobicContact CZ-CG2 4.49Å; G51-V54 PolarHBondContact O-N 2.94Å; D52-V54 PolarHBondContact O-N 2.93Å; V54-F56 PolarHBondContact O-N 3.19Å; V54-A57 PolarHBondContact O-N 3.23Å; V54-E58 HydrophobicContact CG1-CG 4.15Å; V54-E58 WeakPolarHBondContact O-CB 3.34Å; V54-E58 WeakPolarHBondContact O-CG 3.11Å; V54-E58 PolarHBondContact O-N 3.19Å |
| 55 | Q | 98 | Very high | 97.8 | Very high | 123 Ų | 123 | 46.2 Ų | 46.2 | 58% | 0.575 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.2 | -47.5 | -179.2 | -70.7 | -69.5 | -15 | 0 | 0 | 111.5 | G51 D52 Y59 Y98 | G51-Q55 WeakPolarHBondContact O-CB 3.38Å; G51-Q55 WeakPolarHBondContact O-CG 3.36Å; G51-Q55 PolarHBondContact O-N 3.19Å; D52-Q55 PolarHBondContact O-N 2.98Å; Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.39Å; Q55-Y98 HydrophobicContact CB-CE1 4.35Å |
| 56 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 179 | -174 | -94.9 | 0 | 0 | 0 | 111.5 | D52 V54 E58 Y59 I60 T84 N87 L88 Y98 V100 L102 | D52-F56 WeakPolarHBondContact O-CB 3.16Å; D52-F56 PolarHBondContact O-N 3.22Å; V54-F56 PolarHBondContact O-N 3.19Å; F56-E58 PolarHBondContact O-N 3.21Å; F56-Y59 PolarHBondContact O-N 3.43Å; F56-I60 HydrophobicContact CD1-CG1 4.14Å; F56-I60 HydrophobicContact CE1-CD1 4.35Å; F56-I60 HydrophobicContact CE1-CG1 3.71Å; F56-I60 HydrophobicContact CE2-CD1 4.39Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.98Å; F56-I60 HydrophobicContact CZ-CG1 3.85Å; F56-I60 WeakPolarHBondContact O-CG1 3.47Å; F56-I60 PolarHBondContact O-N 2.9Å; F56-T84 HydrophobicContact CE1-CG2 3.78Å; F56-T84 HydrophobicContact CZ-CG2 4.05Å; F56-N87 HydrophobicContact CE2-CB 4.32Å; F56-L88 HydrophobicContact CD2-CD1 4.49Å; F56-L88 HydrophobicContact CE2-CB 4.14Å; F56-L88 HydrophobicContact CE2-CD1 4.02Å; F56-L88 HydrophobicContact CZ-CB 3.82Å; F56-L88 HydrophobicContact CZ-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CG 4.46Å; F56-Y98 HydrophobicContact CB-CD1 3.88Å; F56-Y98 HydrophobicContact CB-CE1 4.27Å; F56-Y98 HydrophobicContact CB-CG 4.19Å; F56-Y98 HydrophobicContact CD2-CD1 4.23Å; F56-Y98 AromaticContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CE2 4.17Å; F56-Y98 AromaticContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CE2-CD2 4.34Å; F56-Y98 HydrophobicContact CG-CD1 4.49Å; F56-Y98 HydrophobicContact CG-CG 4.33Å; F56-V100 HydrophobicContact CB-CG1 4.36Å; F56-V100 HydrophobicContact CB-CG2 4.45Å; F56-V100 HydrophobicContact CD1-CG2 3.83Å; F56-V100 HydrophobicContact CE1-CG2 4.26Å; F56-V100 HydrophobicContact CG-CG2 4.05Å; F56-L102 HydrophobicContact CD1-CD1 4.31Å; F56-L102 HydrophobicContact CD1-CD2 4.46Å; F56-L102 HydrophobicContact CE1-CD1 3.64Å |
| 57 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F36 M38 L44 C46 T53 V54 I60 Q61 | F36-A57 HydrophobicContact CB-CB 4.43Å; F36-A57 HydrophobicContact CD1-CB 3.81Å; F36-A57 HydrophobicContact CD2-CB 3.52Å; F36-A57 HydrophobicContact CE1-CB 3.85Å; F36-A57 HydrophobicContact CE2-CB 3.57Å; F36-A57 HydrophobicContact CG-CB 3.66Å; F36-A57 HydrophobicContact CZ-CB 3.73Å; M38-A57 WeakPolarHBondContact CE-O 3.22Å; L44-A57 HydrophobicContact CD2-CB 4.16Å; C46-A57 HydrophobicContact CB-CB 4.03Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 3.22Å; V54-A57 PolarHBondContact O-N 3.23Å; A57-I60 PolarHBondContact O-N 3.37Å; A57-Q61 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 PolarHBondContact O-N 3.04Å |
| 58 | E | 98.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 55.4 Ų | 55.4 | 41% | 0.411 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 176.1 | -70.5 | -170.5 | 171.4 | 0 | 0 | 112.2 | F36 V54 F56 I60 Q61 K62 | F36-E58 HydrophobicContact CD1-CG 4.38Å; F36-E58 HydrophobicContact CE1-CG 4.12Å; V54-E58 HydrophobicContact CG1-CG 4.15Å; V54-E58 WeakPolarHBondContact O-CB 3.34Å; V54-E58 WeakPolarHBondContact O-CG 3.11Å; V54-E58 PolarHBondContact O-N 3.19Å; F56-E58 PolarHBondContact O-N 3.21Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-I60 PolarHBondContact O-N 2.63Å; E58-Q61 VanDerWaalsContact O-CB 3.31Å; E58-Q61 WeakPolarHBondContact O-CB 3.36Å; E58-Q61 PolarHBondContact O-N 3.04Å; E58-Q61 VanDerWaalsContact O-N 3.16Å; E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.46Å |
| 59 | Y | 98.4 | Very high | 97.7 | Very high | 108 Ų | 108 | 60.8 Ų | 60.8 | 42% | 0.424 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 174.9 | 172.2 | -94.5 | 0 | 0 | 0 | 111.6 | Q55 F56 K62 N63 N87 | Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.39Å; F56-Y59 PolarHBondContact O-N 3.43Å; Y59-K62 PolarHBondContact O-N 3.12Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.38Å; Y59-N63 PolarHBondContact O-N 2.86Å; Y59-N63 PolarHBondContact O-ND2 3.47Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.43Å |
| 60 | I | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.2 | -63.1 | -60.1 | 0 | 0 | 0 | 110.4 | M38 F56 A57 E58 K62 N63 V64 F83 T84 N87 | M38-I60 HydrophobicContact SD-CB 4.5Å; M38-I60 HydrophobicContact SD-CG2 3.92Å; F56-I60 HydrophobicContact CD1-CG1 4.14Å; F56-I60 HydrophobicContact CE1-CD1 4.35Å; F56-I60 HydrophobicContact CE1-CG1 3.71Å; F56-I60 HydrophobicContact CE2-CD1 4.39Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.98Å; F56-I60 HydrophobicContact CZ-CG1 3.85Å; F56-I60 WeakPolarHBondContact O-CG1 3.47Å; F56-I60 PolarHBondContact O-N 2.9Å; A57-I60 PolarHBondContact O-N 3.37Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-I60 PolarHBondContact O-N 2.63Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.37Å; I60-N63 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CG2-CG2 4.24Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.42Å; I60-F83 HydrophobicContact CD1-CD1 4.26Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; I60-T84 HydrophobicContact CG1-CG2 4.32Å; I60-N87 HydrophobicContact CD1-CB 3.97Å |
| 61 | Q | 98.2 | Very high | 97.9 | Very high | 35 Ų | 35 | 63.5 Ų | 63.5 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.2 | -49.7 | 177.8 | -165.7 | -171.6 | 50.9 | 0 | 0 | 112.2 | K37 M38 A57 E58 N63 V64 Q65 | K37-Q61 VanDerWaalsContact O-CG 3.31Å; K37-Q61 WeakPolarHBondContact O-CG 3.44Å; K37-Q61 PolarHBondContact O-NE2 2.86Å; M38-Q61 HydrophobicContact CE-CB 3.81Å; M38-Q61 HydrophobicContact CE-CG 4.23Å; M38-Q61 WeakPolarHBondContact SD-CA 3.32Å; M38-Q61 HydrophobicContact SD-CB 3.87Å; M38-Q61 HydrophobicContact SD-CG 4.24Å; A57-Q61 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 PolarHBondContact O-N 3.04Å; E58-Q61 VanDerWaalsContact O-CB 3.31Å; E58-Q61 WeakPolarHBondContact O-CB 3.36Å; E58-Q61 PolarHBondContact O-N 3.04Å; E58-Q61 VanDerWaalsContact O-N 3.16Å; Q61-N63 VanDerWaalsContact C-N 3.33Å; Q61-N63 PolarHBondContact O-N 3Å; Q61-V64 PolarHBondContact O-N 2.9Å; Q61-Q65 WeakPolarHBondContact O-CG 3.44Å; Q61-Q65 PolarHBondContact O-N 3.03Å |
| 62 | K | 98.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 64.9 Ų | 64.9 | 53% | 0.53 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | -177.2 | -59.3 | -38.3 | 172.9 | -164 | 0 | 111.9 | E58 Y59 I60 L66 | E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.46Å; Y59-K62 PolarHBondContact O-N 3.12Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.37Å; K62-L66 WeakPolarHBondContact O-CB 3.27Å; K62-L66 PolarHBondContact O-N 3.44Å |
| 63 | N | 98.3 | Very high | 97.8 | Very high | 48 Ų | 48 | 69.5 Ų | 69.5 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.5 | -39.4 | 175.9 | -80.8 | -80.8 | 0 | 0 | 0 | 112.7 | Y59 I60 Q61 L66 Y67 F83 | Y59-N63 WeakPolarHBondContact CE2-ND2 3.38Å; Y59-N63 PolarHBondContact O-N 2.86Å; Y59-N63 PolarHBondContact O-ND2 3.47Å; I60-N63 PolarHBondContact O-N 3.48Å; Q61-N63 VanDerWaalsContact C-N 3.33Å; Q61-N63 PolarHBondContact O-N 3Å; N63-L66 PolarHBondContact O-N 3.31Å; N63-Y67 PolarHBondContact O-N 3.32Å; N63-F83 HydrophobicContact CB-CE1 3.69Å; N63-F83 HydrophobicContact CB-CZ 3.65Å |
| 64 | V | 97.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 174.3 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | M38 I60 Q61 Y67 K68 L75 | M38-V64 HydrophobicContact CB-CG1 4.3Å; M38-V64 WeakPolarHBondContact O-CG1 3.37Å; I60-V64 HydrophobicContact CG2-CG2 4.24Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.42Å; Q61-V64 PolarHBondContact O-N 2.9Å; V64-Y67 WeakPolarHBondContact O-CB 3.12Å; V64-Y67 PolarHBondContact O-N 3.37Å; V64-K68 PolarHBondContact O-N 3.07Å; V64-K68 VanDerWaalsContact O-N 3.09Å; V64-L75 HydrophobicContact CG1-CD1 4.45Å; V64-L75 HydrophobicContact CG2-CD1 4.32Å |
| 65 | Q | 97.7 | Very high | 97.7 | Very high | 51 Ų | 51 | 69.9 Ų | 69.9 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 175 | -70.5 | -65.8 | -38 | 0 | 0 | 112.3 | M38 Q61 Y67 K68 M69 | M38-Q65 PolarHBondContact O-NE2 2.95Å; Q61-Q65 WeakPolarHBondContact O-CG 3.44Å; Q61-Q65 PolarHBondContact O-N 3.03Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.87Å; Q65-K68 WeakPolarHBondContact O-CB 3.41Å; Q65-K68 PolarHBondContact O-N 3.27Å; Q65-M69 WeakPolarHBondContact O-CG 3.49Å; Q65-M69 PolarHBondContact O-N 3.04Å |
| 66 | L | 98.5 | Very high | 97.7 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.6 | 177.8 | 62 | 0 | 0 | 0 | 111.7 | K62 N63 K68 M69 R70 | K62-L66 WeakPolarHBondContact O-CB 3.27Å; K62-L66 PolarHBondContact O-N 3.44Å; N63-L66 PolarHBondContact O-N 3.31Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.07Å; L66-M69 PolarHBondContact O-N 3.29Å; L66-R70 HydrophobicContact CD1-CG 4.22Å; L66-R70 WeakPolarHBondContact O-CB 3.3Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 2.79Å |
| 67 | Y | 98.3 | Very high | 97.7 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 30% | 0.302 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.4 | -173.9 | -78.7 | 0 | 0 | 0 | 111.3 | N63 V64 Q65 M69 R70 N71 Y73 L75 | N63-Y67 PolarHBondContact O-N 3.32Å; V64-Y67 WeakPolarHBondContact O-CB 3.12Å; V64-Y67 PolarHBondContact O-N 3.37Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.87Å; Y67-M69 VanDerWaalsContact C-N 3.35Å; Y67-M69 PolarHBondContact O-N 3.13Å; Y67-R70 PolarHBondContact O-N 3.43Å; Y67-N71 WeakPolarHBondContact CD1-ND2 3.05Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.44Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 VanDerWaalsContact CE1-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.37Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.25Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.31Å; Y67-N71 PolarHBondContact O-N 2.78Å; Y67-N71 PolarHBondContact O-ND2 3Å; Y67-Y73 HydrophobicContact CE1-CD2 4.15Å; Y67-Y73 AromaticContact CE1-CE2 3.56Å; Y67-Y73 HydrophobicContact CE1-CE2 3.56Å; Y67-Y73 PolarHBondContact OH-OH 3.27Å; Y67-Y73 VanDerWaalsContact OH-OH 3.06Å; Y67-L75 HydrophobicContact CD1-CD1 4.28Å; Y67-L75 HydrophobicContact CD1-CD2 3.71Å; Y67-L75 HydrophobicContact CD1-CG 3.57Å; Y67-L75 HydrophobicContact CD2-CD1 4.44Å; Y67-L75 HydrophobicContact CD2-CD2 4.08Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.41Å; Y67-L75 VanDerWaalsContact CE1-CD2 3.41Å; Y67-L75 HydrophobicContact CE1-CG 3.78Å; Y67-L75 HydrophobicContact CE2-CD2 3.8Å; Y67-L75 HydrophobicContact CG-CD1 4.1Å; Y67-L75 HydrophobicContact CG-CD2 4.03Å; Y67-L75 HydrophobicContact CG-CG 3.88Å; Y67-L75 VanDerWaalsContact CZ-CD2 3.45Å |
| 68 | K | 97.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.4 | -47.8 | 175.5 | 178.2 | -179.3 | 178.8 | 166.3 | 0 | 111.7 | E40 V64 Q65 L66 R70 G72 Y73 E74 | E40-K68 IonicContact OE1-NZ 2.73Å; V64-K68 PolarHBondContact O-N 3.07Å; V64-K68 VanDerWaalsContact O-N 3.09Å; Q65-K68 WeakPolarHBondContact O-CB 3.41Å; Q65-K68 PolarHBondContact O-N 3.27Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.07Å; K68-R70 PolarHBondContact O-N 3.03Å; K68-G72 WeakPolarHBondContact O-CA 3.31Å; K68-G72 PolarHBondContact O-N 2.94Å; K68-Y73 WeakPolarHBondContact CA-O 2.99Å; K68-E74 HydrophobicContact CD-CG 4.05Å; K68-E74 WeakPolarHBondContact CE-OE1 3.31Å; K68-E74 HydrophobicContact CG-CG 4.36Å; K68-E74 IonicContact NZ-OE1 3.67Å; K68-E74 PolarHBondContact NZ-OE1 3.34Å |
| 69 | M | 97.7 | Very high | 97.6 | Very high | 144 Ų | 144 | 65 Ų | 65 | 71% | 0.709 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67 | -34.3 | -179.7 | -63.3 | -59 | 178.1 | 0 | 0 | 113.1 | Q65 L66 Y67 | Q65-M69 WeakPolarHBondContact O-CG 3.49Å; Q65-M69 PolarHBondContact O-N 3.04Å; L66-M69 PolarHBondContact O-N 3.29Å; Y67-M69 VanDerWaalsContact C-N 3.35Å; Y67-M69 PolarHBondContact O-N 3.13Å |
| 70 | R | 98 | Very high | 97.7 | Very high | 188 Ų | 188 | 59.9 Ų | 59.9 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -74 | -37.4 | 179.4 | -78.4 | -179.4 | 170.5 | 168.7 | -1.3 | 113.4 | L66 Y67 K68 | L66-R70 HydrophobicContact CD1-CG 4.22Å; L66-R70 WeakPolarHBondContact O-CB 3.3Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 2.79Å; Y67-R70 PolarHBondContact O-N 3.43Å; K68-R70 PolarHBondContact O-N 3.03Å |
| 71 | N | 97.9 | Very high | 97.7 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -107.4 | -14.3 | -169.7 | -60 | -63.5 | 0 | 0 | 0 | 113.9 | Y67 Y73 | Y67-N71 WeakPolarHBondContact CD1-ND2 3.05Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.44Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 VanDerWaalsContact CE1-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.37Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.25Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.31Å; Y67-N71 PolarHBondContact O-N 2.78Å; Y67-N71 PolarHBondContact O-ND2 3Å; N71-Y73 VanDerWaalsContact C-N 3.27Å; N71-Y73 HydrophobicContact CB-CD1 3.89Å; N71-Y73 HydrophobicContact CB-CE1 3.52Å; N71-Y73 HydrophobicContact CB-CE2 4.43Å; N71-Y73 HydrophobicContact CB-CG 4.49Å; N71-Y73 VanDerWaalsContact O-CD1 3.23Å; N71-Y73 WeakPolarHBondContact O-CD1 3.32Å; N71-Y73 PolarHBondContact O-N 2.96Å |
| 72 | G | 96.2 | Very high | 97.7 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 74% | 0.742 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 78.2 | 5.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K68 | K68-G72 WeakPolarHBondContact O-CA 3.31Å; K68-G72 PolarHBondContact O-N 2.94Å |
| 73 | Y | 95.1 | Very high | 97.7 | Very high | 131 Ų | 131 | 59 Ų | 59 | 51% | 0.514 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -139.6 | 158.9 | 176.9 | 61.2 | -96.7 | 0 | 0 | 0 | 111.5 | Y67 K68 N71 | Y67-Y73 HydrophobicContact CE1-CD2 4.15Å; Y67-Y73 AromaticContact CE1-CE2 3.56Å; Y67-Y73 HydrophobicContact CE1-CE2 3.56Å; Y67-Y73 PolarHBondContact OH-OH 3.27Å; Y67-Y73 VanDerWaalsContact OH-OH 3.06Å; K68-Y73 WeakPolarHBondContact CA-O 2.99Å; N71-Y73 VanDerWaalsContact C-N 3.27Å; N71-Y73 HydrophobicContact CB-CD1 3.89Å; N71-Y73 HydrophobicContact CB-CE1 3.52Å; N71-Y73 HydrophobicContact CB-CE2 4.43Å; N71-Y73 HydrophobicContact CB-CG 4.49Å; N71-Y73 VanDerWaalsContact O-CD1 3.23Å; N71-Y73 WeakPolarHBondContact O-CD1 3.32Å; N71-Y73 PolarHBondContact O-N 2.96Å |
| 74 | E | 95.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 56.8 Ų | 56.8 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 149.9 | 179.1 | -53.1 | -156.8 | 144 | 0 | 0 | 112.1 | S39 E40 K68 | S39-E74 VanDerWaalsContact CB-OE2 3.26Å; S39-E74 WeakPolarHBondContact CB-OE2 3.43Å; S39-E74 PolarHBondContact OG-OE2 3.42Å; E40-E74 WeakPolarHBondContact CG-OE1 3.49Å; E40-E74 PolarHBondContact N-OE1 3.31Å; E40-E74 VanDerWaalsContact N-OE1 3.17Å; E40-E74 PolarHBondContact N-OE2 3.39Å; K68-E74 HydrophobicContact CD-CG 4.05Å; K68-E74 WeakPolarHBondContact CE-OE1 3.31Å; K68-E74 HydrophobicContact CG-CG 4.36Å; K68-E74 IonicContact NZ-OE1 3.67Å; K68-E74 PolarHBondContact NZ-OE1 3.34Å |
| 75 | L | 96.5 | Very high | 97.8 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 144.4 | 168 | -74.5 | 172.2 | 0 | 0 | 0 | 110 | I42 V64 Y67 A79 A80 | I42-L75 WeakPolarHBondContact CD1-O 3.41Å; V64-L75 HydrophobicContact CG1-CD1 4.45Å; V64-L75 HydrophobicContact CG2-CD1 4.32Å; Y67-L75 HydrophobicContact CD1-CD1 4.28Å; Y67-L75 HydrophobicContact CD1-CD2 3.71Å; Y67-L75 HydrophobicContact CD1-CG 3.57Å; Y67-L75 HydrophobicContact CD2-CD1 4.44Å; Y67-L75 HydrophobicContact CD2-CD2 4.08Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.41Å; Y67-L75 VanDerWaalsContact CE1-CD2 3.41Å; Y67-L75 HydrophobicContact CE1-CG 3.78Å; Y67-L75 HydrophobicContact CE2-CD2 3.8Å; Y67-L75 HydrophobicContact CG-CD1 4.1Å; Y67-L75 HydrophobicContact CG-CD2 4.03Å; Y67-L75 HydrophobicContact CG-CG 3.88Å; Y67-L75 VanDerWaalsContact CZ-CD2 3.45Å; L75-A79 HydrophobicContact CB-CB 4.38Å; L75-A79 HydrophobicContact CD2-CB 3.96Å; L75-A80 HydrophobicContact CB-CB 4.46Å |
| 76 | S | 97.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 154.5 | 166.9 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | T78 A79 A80 D108 | S76-T78 PolarHBondContact O-N 2.77Å; S76-A79 PolarHBondContact O-N 3.04Å; S76-A79 WeakPolarHBondContact OG-CB 3.38Å; S76-A79 PolarHBondContact OG-N 3.43Å; S76-A79 VanDerWaalsContact OG-N 3.14Å; S76-A80 PolarHBondContact O-N 3.02Å; S76-D108 VanDerWaalsContact CB-OD2 3.25Å; S76-D108 WeakPolarHBondContact CB-OD2 3.44Å |
| 77 | P | 98.1 | Very high | 97.8 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.9 | -39.7 | 174.6 | -25.5 | 33.6 | 0 | 0 | 0 | 112.4 | I42 A80 A81 L104 D108 A114 Y116 | I42-P77 HydrophobicContact CD1-CG 4.4Å; I42-P77 HydrophobicContact CG1-CB 4.47Å; I42-P77 HydrophobicContact CG1-CG 4.17Å; P77-A80 PolarHBondContact O-N 3.12Å; P77-A81 WeakPolarHBondContact O-CB 3.24Å; P77-A81 PolarHBondContact O-N 2.88Å; P77-L104 HydrophobicContact CB-CD2 4.2Å; P77-D108 HydrophobicContact CG-CB 4.29Å; P77-A114 HydrophobicContact CB-CB 4.26Å; P77-Y116 HydrophobicContact CB-CE2 4.47Å |
| 78 | T | 98.5 | Very high | 97.8 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.6 | -53.2 | 0 | 0 | 0 | 0 | 112 | S76 A81 N82 E111 Y116 | S76-T78 PolarHBondContact O-N 2.77Å; T78-A81 PolarHBondContact O-N 2.87Å; T78-N82 PolarHBondContact O-N 3.1Å; T78-N82 VanDerWaalsContact O-N 3.08Å; T78-N82 PolarHBondContact O-ND2 3.19Å; T78-E111 PolarHBondContact OG1-OE2 3.11Å; T78-Y116 WeakPolarHBondContact CB-OH 3.41Å; T78-Y116 WeakPolarHBondContact CG2-OH 3.43Å; T78-Y116 PolarHBondContact OG1-OH 2.94Å |
| 79 | A | 98.2 | Very high | 97.8 | Very high | 37 Ų | 37 | 55.4 Ų | 55.4 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L75 S76 A81 N82 F83 | L75-A79 HydrophobicContact CB-CB 4.38Å; L75-A79 HydrophobicContact CD2-CB 3.96Å; S76-A79 PolarHBondContact O-N 3.04Å; S76-A79 WeakPolarHBondContact OG-CB 3.38Å; S76-A79 PolarHBondContact OG-N 3.43Å; S76-A79 VanDerWaalsContact OG-N 3.14Å; A79-A81 PolarHBondContact O-N 2.7Å; A79-N82 PolarHBondContact O-N 2.93Å; A79-F83 WeakPolarHBondContact O-CB 3.29Å; A79-F83 PolarHBondContact O-N 3.44Å |
| 80 | A | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I42 L75 S76 P77 F83 T84 L104 | I42-A80 HydrophobicContact CD1-CB 3.87Å; L75-A80 HydrophobicContact CB-CB 4.46Å; S76-A80 PolarHBondContact O-N 3.02Å; P77-A80 PolarHBondContact O-N 3.12Å; A80-F83 PolarHBondContact O-N 3.22Å; A80-T84 WeakPolarHBondContact O-CB 3.27Å; A80-T84 PolarHBondContact O-N 3.37Å; A80-T84 PolarHBondContact O-OG1 3.31Å; A80-L104 HydrophobicContact CB-CD1 4.02Å |
| 81 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P77 T78 A79 T84 R85 L104 Y116 M118 L124 | P77-A81 WeakPolarHBondContact O-CB 3.24Å; P77-A81 PolarHBondContact O-N 2.88Å; T78-A81 PolarHBondContact O-N 2.87Å; A79-A81 PolarHBondContact O-N 2.7Å; A81-T84 PolarHBondContact O-N 3.32Å; A81-R85 WeakPolarHBondContact O-CB 3.37Å; A81-R85 PolarHBondContact O-N 3.29Å; A81-L104 HydrophobicContact CB-CD1 4.2Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; A81-Y116 HydrophobicContact CB-CD1 4.13Å; A81-Y116 HydrophobicContact CB-CD2 3.72Å; A81-Y116 HydrophobicContact CB-CE2 4.12Å; A81-Y116 HydrophobicContact CB-CG 3.73Å; A81-M118 WeakPolarHBondContact O-CE 3.47Å; A81-L124 HydrophobicContact CB-CD1 4.3Å; A81-L124 HydrophobicContact CB-CD2 4.2Å |
| 82 | N | 98.7 | Very high | 97.7 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.6 | -38.3 | 177.3 | -81.1 | -72.4 | 0 | 0 | 0 | 112.9 | T78 A79 R85 R86 | T78-N82 PolarHBondContact O-N 3.1Å; T78-N82 VanDerWaalsContact O-N 3.08Å; T78-N82 PolarHBondContact O-ND2 3.19Å; A79-N82 PolarHBondContact O-N 2.93Å; N82-R85 PolarHBondContact O-N 2.88Å; N82-R86 WeakPolarHBondContact O-CB 3.31Å; N82-R86 PolarHBondContact O-N 3.3Å |
| 83 | F | 98.6 | Very high | 97.7 | Very high | 68 Ų | 68 | 51.7 Ų | 51.7 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 173.3 | 174.6 | -102.7 | 0 | 0 | 0 | 111.6 | I60 N63 A79 A80 R85 R86 N87 | I60-F83 HydrophobicContact CD1-CD1 4.26Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; N63-F83 HydrophobicContact CB-CE1 3.69Å; N63-F83 HydrophobicContact CB-CZ 3.65Å; A79-F83 WeakPolarHBondContact O-CB 3.29Å; A79-F83 PolarHBondContact O-N 3.44Å; A80-F83 PolarHBondContact O-N 3.22Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 PolarHBondContact O-N 3.18Å; F83-R86 PolarHBondContact O-N 2.87Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.37Å; F83-N87 VanDerWaalsContact CE2-ND2 3.27Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.37Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.46Å; F83-N87 PolarHBondContact O-N 3.15Å; F83-N87 VanDerWaalsContact O-N 3.13Å; F83-N87 PolarHBondContact O-ND2 3.1Å |
| 84 | T | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | F56 I60 A80 A81 R86 N87 L88 L102 M118 | F56-T84 HydrophobicContact CE1-CG2 3.78Å; F56-T84 HydrophobicContact CZ-CG2 4.05Å; I60-T84 HydrophobicContact CG1-CG2 4.32Å; A80-T84 WeakPolarHBondContact O-CB 3.27Å; A80-T84 PolarHBondContact O-N 3.37Å; A80-T84 PolarHBondContact O-OG1 3.31Å; A81-T84 PolarHBondContact O-N 3.32Å; T84-R86 VanDerWaalsContact C-N 3.33Å; T84-R86 PolarHBondContact O-N 3.07Å; T84-N87 PolarHBondContact O-N 3.06Å; T84-L88 PolarHBondContact O-N 3.17Å; T84-L102 HydrophobicContact CG2-CD1 3.59Å; T84-M118 HydrophobicContact CG2-CE 4.09Å; T84-M118 HydrophobicContact CG2-SD 4.29Å |
| 85 | R | 98.6 | Very high | 97.8 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 176.9 | -167.8 | -168.4 | 68.1 | 84 | -4.7 | 112.3 | A81 N82 F83 L88 A89 M118 A122 L124 | A81-R85 WeakPolarHBondContact O-CB 3.37Å; A81-R85 PolarHBondContact O-N 3.29Å; N82-R85 PolarHBondContact O-N 2.88Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 PolarHBondContact O-N 3.18Å; R85-L88 PolarHBondContact O-N 2.74Å; R85-A89 WeakPolarHBondContact O-CB 3.47Å; R85-A89 PolarHBondContact O-N 2.91Å; R85-M118 VanDerWaalsContact CA-SD 3.54Å; R85-M118 HydrophobicContact CB-CE 3.56Å; R85-M118 HydrophobicContact CB-SD 3.98Å; R85-M118 HydrophobicContact CG-CE 4.23Å; R85-M118 HydrophobicContact CG-SD 4.26Å; R85-A122 HydrophobicContact CG-CB 4.18Å; R85-A122 WeakPolarHBondContact CG-O 3.36Å; R85-L124 HydrophobicContact CB-CD2 4.26Å; R85-L124 HydrophobicContact CG-CB 4Å; R85-L124 HydrophobicContact CG-CD2 4.5Å |
| 86 | R | 98.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -49.9 | -179.4 | -176.4 | 63.7 | -93.7 | 125 | -8.8 | 110.8 | N82 F83 T84 L88 A89 D90 | N82-R86 WeakPolarHBondContact O-CB 3.31Å; N82-R86 PolarHBondContact O-N 3.3Å; F83-R86 PolarHBondContact O-N 2.87Å; T84-R86 VanDerWaalsContact C-N 3.33Å; T84-R86 PolarHBondContact O-N 3.07Å; R86-L88 PolarHBondContact O-N 3Å; R86-A89 PolarHBondContact O-N 3.16Å; R86-D90 IonicContact CZ-OD1 2.81Å; R86-D90 IonicContact CZ-OD2 3.19Å; R86-D90 IonicContact NE-OD1 3.64Å; R86-D90 PolarHBondContact NE-OD1 2.95Å; R86-D90 IonicContact NE-OD2 3.98Å; R86-D90 PolarHBondContact NE-OD2 3.31Å; R86-D90 VanDerWaalsContact NH2-CG 3.31Å; R86-D90 IonicContact NH2-OD1 3.52Å; R86-D90 PolarHBondContact NH2-OD1 2.98Å; R86-D90 IonicContact NH2-OD2 2.76Å; R86-D90 WeakPolarHBondContact O-CB 3.5Å; R86-D90 PolarHBondContact O-N 3.43Å |
| 87 | N | 98.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 178.2 | -75.6 | -87.5 | 0 | 0 | 0 | 112.2 | F56 Y59 I60 F83 T84 D90 C91 | F56-N87 HydrophobicContact CE2-CB 4.32Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.43Å; I60-N87 HydrophobicContact CD1-CB 3.97Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.37Å; F83-N87 VanDerWaalsContact CE2-ND2 3.27Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.37Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.46Å; F83-N87 PolarHBondContact O-N 3.15Å; F83-N87 VanDerWaalsContact O-N 3.13Å; F83-N87 PolarHBondContact O-ND2 3.1Å; T84-N87 PolarHBondContact O-N 3.06Å; N87-D90 PolarHBondContact O-N 2.76Å; N87-C91 PolarHBondContact O-N 3.45Å; N87-C91 VanDerWaalsContact O-N 3.09Å; N87-C91 PolarHBondContact O-SG 2.9Å |
| 88 | L | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 178.3 | -168.9 | 59.4 | 0 | 0 | 0 | 111.6 | F56 T84 R85 R86 D90 C91 L92 V100 L102 M118 D119 A122 | F56-L88 HydrophobicContact CD2-CD1 4.49Å; F56-L88 HydrophobicContact CE2-CB 4.14Å; F56-L88 HydrophobicContact CE2-CD1 4.02Å; F56-L88 HydrophobicContact CZ-CB 3.82Å; F56-L88 HydrophobicContact CZ-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CG 4.46Å; T84-L88 PolarHBondContact O-N 3.17Å; R85-L88 PolarHBondContact O-N 2.74Å; R86-L88 PolarHBondContact O-N 3Å; L88-D90 PolarHBondContact O-N 3.2Å; L88-C91 PolarHBondContact O-N 3Å; L88-L92 PolarHBondContact O-N 2.78Å; L88-V100 HydrophobicContact CD1-CG2 3.69Å; L88-V100 HydrophobicContact CD2-CG2 4.29Å; L88-L102 HydrophobicContact CD2-CD1 4.31Å; L88-M118 HydrophobicContact CD2-CG 4.26Å; L88-M118 HydrophobicContact CD2-SD 3.84Å; L88-D119 WeakPolarHBondContact CD2-O 3.4Å; L88-A122 HydrophobicContact CB-CB 3.88Å; L88-A122 HydrophobicContact CD2-CB 4.07Å; L88-A122 HydrophobicContact CG-CB 3.93Å |
| 89 | A | 98.2 | Very high | 97.5 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -33.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R85 R86 C91 L92 A122 | R85-A89 WeakPolarHBondContact O-CB 3.47Å; R85-A89 PolarHBondContact O-N 2.91Å; R86-A89 PolarHBondContact O-N 3.16Å; A89-C91 VanDerWaalsContact C-N 3.34Å; A89-L92 WeakPolarHBondContact O-CB 3.42Å; A89-A122 HydrophobicContact CB-CB 3.67Å |
| 90 | D | 97.9 | Very high | 97.5 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 173.6 | -75.9 | -32.2 | 0 | 0 | 0 | 111 | R86 N87 L88 | R86-D90 IonicContact CZ-OD1 2.81Å; R86-D90 IonicContact CZ-OD2 3.19Å; R86-D90 IonicContact NE-OD1 3.64Å; R86-D90 PolarHBondContact NE-OD1 2.95Å; R86-D90 IonicContact NE-OD2 3.98Å; R86-D90 PolarHBondContact NE-OD2 3.31Å; R86-D90 VanDerWaalsContact NH2-CG 3.31Å; R86-D90 IonicContact NH2-OD1 3.52Å; R86-D90 PolarHBondContact NH2-OD1 2.98Å; R86-D90 IonicContact NH2-OD2 2.76Å; R86-D90 WeakPolarHBondContact O-CB 3.5Å; R86-D90 PolarHBondContact O-N 3.43Å; N87-D90 PolarHBondContact O-N 2.76Å; L88-D90 PolarHBondContact O-N 3.2Å |
| 91 | C | 96.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.4 | -24.4 | 178.1 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | N87 L88 A89 R93 S94 P97 Y98 | N87-C91 PolarHBondContact O-N 3.45Å; N87-C91 VanDerWaalsContact O-N 3.09Å; N87-C91 PolarHBondContact O-SG 2.9Å; L88-C91 PolarHBondContact O-N 3Å; A89-C91 VanDerWaalsContact C-N 3.34Å; C91-R93 VanDerWaalsContact C-N 3.25Å; C91-R93 PolarHBondContact O-N 3.46Å; C91-R93 VanDerWaalsContact O-N 3.12Å; C91-S94 VanDerWaalsContact O-CB 3.3Å; C91-S94 WeakPolarHBondContact O-CB 3.19Å; C91-S94 PolarHBondContact O-N 2.88Å; C91-S94 PolarHBondContact O-OG 2.87Å; C91-P97 WeakPolarHBondContact O-CA 3.34Å; C91-Y98 HydrophobicContact CB-CD2 3.78Å; C91-Y98 HydrophobicContact CB-CE2 4.21Å |
| 92 | L | 96.5 | Very high | 97.5 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.3 | -173.4 | -176.4 | 62.7 | 0 | 0 | 0 | 114.4 | L88 A89 L121 | L88-L92 PolarHBondContact O-N 2.78Å; A89-L92 WeakPolarHBondContact O-CB 3.42Å; L92-L121 HydrophobicContact CD1-CD2 3.94Å |
| 93 | R | 97.1 | Very high | 97.5 | Very high | 225 Ų | 225 | 63.3 Ų | 63.3 | 85% | 0.849 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 14.6 | 177.2 | -66.7 | -177.3 | 175.1 | 77.1 | 1 | 113.1 | C91 | C91-R93 VanDerWaalsContact C-N 3.25Å; C91-R93 PolarHBondContact O-N 3.46Å; C91-R93 VanDerWaalsContact O-N 3.12Å |
| 94 | S | 95.7 | Very high | 97.5 | Very high | 48 Ų | 48 | 60.3 Ų | 60.3 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -83.9 | 180 | 173.8 | 81 | 0 | 0 | 0 | 0 | 110.9 | C91 T96 | C91-S94 VanDerWaalsContact O-CB 3.3Å; C91-S94 WeakPolarHBondContact O-CB 3.19Å; C91-S94 PolarHBondContact O-N 2.88Å; C91-S94 PolarHBondContact O-OG 2.87Å; S94-T96 PolarHBondContact O-N 2.8Å; S94-T96 VanDerWaalsContact OG-C 3.32Å; S94-T96 PolarHBondContact OG-N 3.03Å; S94-T96 PolarHBondContact OG-O 3.45Å; S94-T96 PolarHBondContact OG-OG1 3.35Å |
| 95 | R | 95.8 | Very high | 97.5 | Very high | 250 Ų | 250 | 60.2 Ų | 60.2 | 94% | 0.943 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -75.7 | -7.6 | 171.4 | -69.7 | 164 | 65.1 | -159.6 | 2.1 | 113 | ||
| 96 | T | 94.2 | Very high | 97.5 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 55% | 0.546 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -131.9 | 64.1 | -176.4 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | S94 | S94-T96 PolarHBondContact O-N 2.8Å; S94-T96 VanDerWaalsContact OG-C 3.32Å; S94-T96 PolarHBondContact OG-N 3.03Å; S94-T96 PolarHBondContact OG-O 3.45Å; S94-T96 PolarHBondContact OG-OG1 3.35Å |
| 97 | P | 96 | Very high | 97.5 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | trans | -66.3 | 134.8 | 172.8 | 30.3 | -33.7 | 0 | 0 | 0 | 109.4 | C91 | C91-P97 WeakPolarHBondContact O-CA 3.34Š| ||
| 98 | Y | 97.4 | Very high | 97.5 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | trans | -91.2 | 119.8 | 174.3 | -68.9 | -82.9 | 0 | 0 | 0 | 109.7 | D52 Q55 F56 C91 V100 | D52-Y98 HydrophobicContact CB-CD1 4.05Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.3Å; Q55-Y98 HydrophobicContact CB-CE1 4.35Å; F56-Y98 HydrophobicContact CB-CD1 3.88Å; F56-Y98 HydrophobicContact CB-CE1 4.27Å; F56-Y98 HydrophobicContact CB-CG 4.19Å; F56-Y98 HydrophobicContact CD2-CD1 4.23Å; F56-Y98 AromaticContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CE2 4.17Å; F56-Y98 AromaticContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CE2-CD2 4.34Å; F56-Y98 HydrophobicContact CG-CD1 4.49Å; F56-Y98 HydrophobicContact CG-CG 4.33Å; C91-Y98 HydrophobicContact CB-CD2 3.78Å; C91-Y98 HydrophobicContact CB-CE2 4.21Å; Y98-V100 VanDerWaalsContact C-N 3.33Å; Y98-V100 PolarHBondContact O-N 2.99Å; Y98-V100 VanDerWaalsContact O-N 3.13Å | ||
| 99 | H | 97.3 | Very high | 97.3 | Very high | 82 Ų | 82 | 60 Ų | 60 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | trans | -88.9 | 70.1 | 178.3 | -158.9 | 91 | 0 | 0 | 0 | 111.4 | G48 E49 D52 Y120 | G48-H99 WeakPolarHBondContact CA-O 3.46Å; E49-H99 HydrophobicContact CB-CB 3.88Å; E49-H99 PolarHBondContact N-O 3.32Å; D52-H99 PolarHBondContact OD2-N 3.24Å; H99-Y120 AromaticContact CE1-CD2 3.62Å; H99-Y120 AromaticContact CE1-CE2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.85Å; H99-Y120 AromaticContact ND1-CD2 3.68Å | ||
| 100 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.9 | -174.3 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | V47 D52 T53 F56 L88 Y98 L102 Y120 | V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.34Å; D52-V100 HydrophobicContact CB-CG1 3.93Å; T53-V100 HydrophobicContact CG2-CG1 4.08Å; F56-V100 HydrophobicContact CB-CG1 4.36Å; F56-V100 HydrophobicContact CB-CG2 4.45Å; F56-V100 HydrophobicContact CD1-CG2 3.83Å; F56-V100 HydrophobicContact CE1-CG2 4.26Å; F56-V100 HydrophobicContact CG-CG2 4.05Å; L88-V100 HydrophobicContact CD1-CG2 3.69Å; L88-V100 HydrophobicContact CD2-CG2 4.29Å; Y98-V100 VanDerWaalsContact C-N 3.33Å; Y98-V100 PolarHBondContact O-N 2.99Å; Y98-V100 VanDerWaalsContact O-N 3.13Å; V100-L102 HydrophobicContact CB-CD2 4.22Å; V100-L102 HydrophobicContact CG2-CD1 4.47Å; V100-L102 HydrophobicContact CG2-CD2 4.12Å; V100-L102 HydrophobicContact CG2-CG 4.37Å; V100-Y120 WeakPolarHBondContact O-CA 3.43Å; V100-Y120 WeakPolarHBondContact O-CB 3.41Å; V100-Y120 PolarHBondContact O-N 3.3Å |
| 101 | N | 98.6 | Very high | 97 | Very high | 33 Ų | 33 | 69.3 Ų | 69.3 | 18% | 0.176 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.2 | 172.6 | -66.1 | -59.8 | 0 | 0 | 0 | 109.1 | V47 D119 Y120 | V47-N101 HydrophobicContact CG2-CB 4.09Å; V47-N101 PolarHBondContact N-O 3.48Å; V47-N101 PolarHBondContact O-N 2.82Å; N101-D119 VanDerWaalsContact OD1-CA 3.25Å; N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; N101-Y120 PolarHBondContact OD1-N 3.47Å |
| 102 | L | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.5 | -161.8 | -48.2 | 170.8 | 0 | 0 | 0 | 112.3 | L44 L45 C46 F56 T84 L88 V100 M118 H132 | L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD1 4.41Å; L44-L102 HydrophobicContact CD1-CD2 4.44Å; L44-L102 HydrophobicContact CD2-CD2 4.46Å; L45-L102 VanDerWaalsContact O-CA 3.25Å; L45-L102 WeakPolarHBondContact O-CA 3.34Å; C46-L102 HydrophobicContact CB-CD2 3.75Å; C46-L102 WeakPolarHBondContact SG-CD2 3.42Å; F56-L102 HydrophobicContact CD1-CD1 4.31Å; F56-L102 HydrophobicContact CD1-CD2 4.46Å; F56-L102 HydrophobicContact CE1-CD1 3.64Å; T84-L102 HydrophobicContact CG2-CD1 3.59Å; L88-L102 HydrophobicContact CD2-CD1 4.31Å; V100-L102 HydrophobicContact CB-CD2 4.22Å; V100-L102 HydrophobicContact CG2-CD1 4.47Å; V100-L102 HydrophobicContact CG2-CD2 4.12Å; V100-L102 HydrophobicContact CG2-CG 4.37Å; L102-M118 HydrophobicContact CB-CB 4.26Å; L102-M118 HydrophobicContact CD1-SD 4Å; L102-M118 PolarHBondContact N-O 3.19Å; L102-M118 PolarHBondContact O-N 2.89Å; L102-H132 PolarHBondContact N-CE1 2.98Å; L102-H132 PolarHBondContact O-CE1 3.49Å; L102-H132 PolarHBondContact O-ND1 3.1Å |
| 103 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | 156.4 | -61.4 | -179.6 | 0 | 0 | 0 | 108.4 | L4 L45 L115 Y116 Y117 A130 | L4-L103 HydrophobicContact CB-CD1 3.86Å; L4-L103 HydrophobicContact CB-CG 4.36Å; L4-L103 HydrophobicContact CD1-CG 4.44Å; L45-L103 HydrophobicContact CB-CB 4.25Å; L45-L103 HydrophobicContact CD1-CB 4.34Å; L45-L103 PolarHBondContact N-O 3.03Å; L45-L103 PolarHBondContact O-N 3.28Å; L103-L115 HydrophobicContact CB-CD1 4.34Å; L103-Y116 CarbonylContact C-O 3.57Å; L103-Y116 VanDerWaalsContact CA-O 3.31Å; L103-Y116 WeakPolarHBondContact CA-O 3.48Å; L103-Y117 HydrophobicContact CD2-CD2 4Å; L103-A130 HydrophobicContact CD2-CB 3.78Å |
| 104 | L | 98.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118 | 168.8 | -173 | 153.9 | 0 | 0 | 0 | 108.6 | I42 L44 P77 A80 A81 L115 Y116 | I42-L104 HydrophobicContact CG2-CD1 4.16Å; I42-L104 HydrophobicContact CG2-CD2 3.89Å; I42-L104 HydrophobicContact CG2-CG 3.95Å; L44-L104 HydrophobicContact CD1-CB 4.03Å; L44-L104 HydrophobicContact CD1-CD1 4.3Å; L44-L104 HydrophobicContact CD1-CG 4.47Å; P77-L104 HydrophobicContact CB-CD2 4.2Å; A80-L104 HydrophobicContact CB-CD1 4.02Å; A81-L104 HydrophobicContact CB-CD1 4.2Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; L104-L115 WeakPolarHBondContact O-CA 3.42Å; L104-Y116 HydrophobicContact CD2-CD2 4.03Å; L104-Y116 PolarHBondContact N-O 3.42Å; L104-Y116 PolarHBondContact O-N 2.94Å |
| 105 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | V13 V15 I42 L43 A114 L115 I183 | V13-A105 HydrophobicContact CB-CB 4.13Å; V13-A105 HydrophobicContact CG1-CB 3.63Å; V15-A105 HydrophobicContact CG1-CB 3.48Å; V15-A105 VanDerWaalsContact CG1-CB 3.48Å; I42-A105 WeakPolarHBondContact CA-O 3.42Å; L43-A105 PolarHBondContact N-O 2.83Å; L43-A105 PolarHBondContact O-N 2.76Å; L43-A105 VanDerWaalsContact O-O 3.13Å; A105-A114 WeakPolarHBondContact CA-O 3.47Å; A105-L115 HydrophobicContact CB-CD1 4.21Å; A105-I183 HydrophobicContact CB-CD1 3.56Å; A105-I183 WeakPolarHBondContact O-CD1 3.42Å |
| 106 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K41 P113 A114 | K41-G106 CarbonylContact O-C 3.49Å; K41-G106 WeakPolarHBondContact O-CA 3.25Å; G106-P113 WeakPolarHBondContact O-CA 3.31Å; G106-A114 PolarHBondContact N-O 2.98Å; G106-A114 PolarHBondContact O-N 2.88Å |
| 107 | Y | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 15% | 0.149 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.6 | 175.4 | -172.3 | -81.4 | 0 | 0 | 0 | 109.8 | D11 K41 P113 D184 K185 | D11-Y107 VanDerWaalsContact O-CE2 3.24Å; D11-Y107 WeakPolarHBondContact O-CE2 3.33Å; K41-Y107 WeakPolarHBondContact CB-O 3.28Å; K41-Y107 PolarHBondContact O-N 3.26Å; Y107-P113 HydrophobicContact CD2-CB 4.25Å; Y107-D184 VanDerWaalsContact CG-C 3.49Å; Y107-K185 HydrophobicContact CD1-CB 4.08Å; Y107-K185 VanDerWaalsContact CE1-CA 3.43Å; Y107-K185 HydrophobicContact CE1-CB 3.45Å; Y107-K185 VanDerWaalsContact CE1-CB 3.45Å; Y107-K185 HydrophobicContact CE2-CB 4.36Å |
| 108 | D | 97.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 39 Ų | 39 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.2 | 172.1 | -169.3 | -92.8 | 0 | 0 | 0 | 110.5 | S76 P77 H110 E111 G112 | S76-D108 VanDerWaalsContact CB-OD2 3.25Å; S76-D108 WeakPolarHBondContact CB-OD2 3.44Å; P77-D108 HydrophobicContact CG-CB 4.29Å; D108-H110 PolarHBondContact O-N 3.5Å; D108-H110 WeakPolarHBondContact OD1-CA 3.16Å; D108-H110 PolarHBondContact OD1-N 2.87Å; D108-E111 HydrophobicContact CB-CB 3.91Å; D108-E111 PolarHBondContact OD1-N 3.3Å; D108-G112 PolarHBondContact N-O 3.09Å; D108-G112 VanDerWaalsContact O-CA 3.27Å; D108-G112 WeakPolarHBondContact O-CA 3.38Å; D108-G112 PolarHBondContact O-N 3.41Å |
| 109 | E | 93.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 37.5 Ų | 37.5 | 64% | 0.64 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.5 | -178.8 | -65.7 | -178 | 175.2 | 0 | 0 | 113.4 | K41 | K41-E109 VanDerWaalsContact NZ-CG 3.29Å; K41-E109 IonicContact NZ-OE1 2.74Å; K41-E109 PolarHBondContact NZ-OE1 3.2Å |
| 110 | H | 94.6 | Very high | 97.9 | Very high | 176 Ų | 176 | 37.8 Ų | 37.8 | 82% | 0.815 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | -40.1 | -178.1 | -59.3 | -61.4 | 0 | 0 | 0 | 112.4 | D108 | D108-H110 PolarHBondContact O-N 3.5Å; D108-H110 WeakPolarHBondContact OD1-CA 3.16Å; D108-H110 PolarHBondContact OD1-N 2.87Å |
| 111 | E | 95.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 41.9 Ų | 41.9 | 64% | 0.64 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -15.4 | -178 | -54.2 | -165.4 | 107.6 | 0 | 0 | 113.7 | T78 D108 | T78-E111 PolarHBondContact OG1-OE2 3.11Å; D108-E111 HydrophobicContact CB-CB 3.91Å; D108-E111 PolarHBondContact OD1-N 3.3Å |
| 112 | G | 97.5 | Very high | 97.9 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.8 | -153.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D108 | D108-G112 PolarHBondContact N-O 3.09Å; D108-G112 VanDerWaalsContact O-CA 3.27Å; D108-G112 WeakPolarHBondContact O-CA 3.38Å; D108-G112 PolarHBondContact O-N 3.41Å |
| 113 | P | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 141.4 | -174.7 | 30.6 | -35.6 | 0 | 0 | 0 | 112.7 | Q8 G9 P10 Y12 V13 G106 Y107 | Q8-P113 HydrophobicContact CG-CB 3.98Å; Q8-P113 HydrophobicContact CG-CG 4.17Å; Q8-P113 PolarHBondContact NE2-O 2.91Å; Q8-P113 PolarHBondContact OE1-O 3.44Å; G9-P113 VanDerWaalsContact O-CG 3.26Å; G9-P113 WeakPolarHBondContact O-CG 3.36Å; P10-P113 VanDerWaalsContact O-CD 3.25Å; P10-P113 WeakPolarHBondContact O-CD 3.27Å; P10-P113 VanDerWaalsContact O-CG 3.29Å; P10-P113 WeakPolarHBondContact O-CG 3.47Å; Y12-P113 WeakPolarHBondContact O-CB 3.35Å; V13-P113 HydrophobicContact CG2-CB 3.55Å; G106-P113 WeakPolarHBondContact O-CA 3.31Å; Y107-P113 HydrophobicContact CD2-CB 4.25Å |
| 114 | A | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 133.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | P77 A105 G106 Y116 | P77-A114 HydrophobicContact CB-CB 4.26Å; A105-A114 WeakPolarHBondContact CA-O 3.47Å; G106-A114 PolarHBondContact N-O 2.98Å; G106-A114 PolarHBondContact O-N 2.88Å; A114-Y116 HydrophobicContact CB-CD2 4.34Å; A114-Y116 HydrophobicContact CB-CE2 3.71Å |
| 115 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.3 | 171.6 | 177 | 67.3 | 0 | 0 | 0 | 109.7 | G6 Q8 V13 L103 L104 A105 K126 A127 A130 | G6-L115 VanDerWaalsContact C-CD2 3.41Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; Q8-L115 HydrophobicContact CB-CB 4.32Å; V13-L115 HydrophobicContact CG1-CB 4.14Å; V13-L115 HydrophobicContact CG1-CD1 4.25Å; L103-L115 HydrophobicContact CB-CD1 4.34Å; L104-L115 WeakPolarHBondContact O-CA 3.42Å; A105-L115 HydrophobicContact CB-CD1 4.21Å; L115-K126 WeakPolarHBondContact O-CA 3.45Å; L115-K126 WeakPolarHBondContact O-CG 3.2Å; L115-A127 WeakPolarHBondContact CB-O 3.37Å; L115-A127 PolarHBondContact O-N 3.46Å; L115-A130 HydrophobicContact CD2-CB 4.22Å |
| 116 | Y | 98.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 53 Ų | 53 | 7% | 0.071 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.6 | -179.1 | -71.2 | -77.2 | 0 | 0 | 0 | 110.2 | P77 T78 A81 L103 L104 A114 L124 A125 K126 | P77-Y116 HydrophobicContact CB-CE2 4.47Å; T78-Y116 WeakPolarHBondContact CB-OH 3.41Å; T78-Y116 WeakPolarHBondContact CG2-OH 3.43Å; T78-Y116 PolarHBondContact OG1-OH 2.94Å; A81-Y116 HydrophobicContact CB-CD1 4.13Å; A81-Y116 HydrophobicContact CB-CD2 3.72Å; A81-Y116 HydrophobicContact CB-CE2 4.12Å; A81-Y116 HydrophobicContact CB-CG 3.73Å; L103-Y116 CarbonylContact C-O 3.57Å; L103-Y116 VanDerWaalsContact CA-O 3.31Å; L103-Y116 WeakPolarHBondContact CA-O 3.48Å; L104-Y116 HydrophobicContact CD2-CD2 4.03Å; L104-Y116 PolarHBondContact N-O 3.42Å; L104-Y116 PolarHBondContact O-N 2.94Å; A114-Y116 HydrophobicContact CB-CD2 4.34Å; A114-Y116 HydrophobicContact CB-CE2 3.71Å; Y116-L124 HydrophobicContact CD1-CD1 3.72Å; Y116-L124 HydrophobicContact CD1-CG 4.29Å; Y116-L124 HydrophobicContact CG-CD1 4.1Å; Y116-A125 WeakPolarHBondContact CA-O 3.21Å; Y116-K126 HydrophobicContact CD1-CB 3.93Å; Y116-K126 HydrophobicContact CD1-CG 4.18Å; Y116-K126 HydrophobicContact CE1-CB 3.68Å; Y116-K126 HydrophobicContact CE1-CD 4.1Å; Y116-K126 HydrophobicContact CE1-CG 3.81Å |
| 117 | Y | 98.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 54 Ų | 54 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 134.5 | 169.4 | 176.6 | -80.6 | 0 | 0 | 0 | 109.5 | L103 D119 L124 A125 A130 H132 | L103-Y117 HydrophobicContact CD2-CD2 4Å; Y117-D119 HydrophobicContact CE1-CB 4.08Å; Y117-L124 WeakPolarHBondContact O-CA 3.05Å; Y117-L124 WeakPolarHBondContact O-CD1 3.21Å; Y117-A125 PolarHBondContact N-O 2.8Å; Y117-A125 PolarHBondContact O-N 2.84Å; Y117-A130 HydrophobicContact CD2-CB 4.06Å; Y117-H132 AromaticContact CD2-CE1 3.44Å; Y117-H132 VanDerWaalsContact CD2-CE1 3.44Å; Y117-H132 WeakPolarHBondContact CD2-CE1 3.27Å; Y117-H132 AromaticContact CD2-NE2 3.64Å; Y117-H132 AromaticContact CE1-NE2 3.71Å; Y117-H132 AromaticContact CE2-CD2 3.41Å; Y117-H132 VanDerWaalsContact CE2-CD2 3.41Å; Y117-H132 WeakPolarHBondContact CE2-CD2 3.47Å; Y117-H132 AromaticContact CE2-CE1 3.31Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.37Å; Y117-H132 AromaticContact CE2-CG 3.96Å; Y117-H132 AromaticContact CE2-ND1 3.9Å; Y117-H132 AromaticContact CE2-NE2 2.99Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.36Å; Y117-H132 AromaticContact CZ-CD2 3.66Å; Y117-H132 AromaticContact CZ-CE1 3.7Å; Y117-H132 AromaticContact CZ-NE2 3.01Å; Y117-H132 PolarHBondContact OH-NE2 2.93Å |
| 118 | M | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 126.4 | 171.2 | -168.2 | -174.6 | -50.6 | 0 | 0 | 111.4 | A81 T84 R85 L88 L102 A123 L124 H132 | A81-M118 WeakPolarHBondContact O-CE 3.47Å; T84-M118 HydrophobicContact CG2-CE 4.09Å; T84-M118 HydrophobicContact CG2-SD 4.29Å; R85-M118 VanDerWaalsContact CA-SD 3.54Å; R85-M118 HydrophobicContact CB-CE 3.56Å; R85-M118 HydrophobicContact CB-SD 3.98Å; R85-M118 HydrophobicContact CG-CE 4.23Å; R85-M118 HydrophobicContact CG-SD 4.26Å; L88-M118 HydrophobicContact CD2-CG 4.26Å; L88-M118 HydrophobicContact CD2-SD 3.84Å; L102-M118 HydrophobicContact CB-CB 4.26Å; L102-M118 HydrophobicContact CD1-SD 4Å; L102-M118 PolarHBondContact N-O 3.19Å; L102-M118 PolarHBondContact O-N 2.89Å; M118-A123 VanDerWaalsContact CA-O 3.27Å; M118-A123 WeakPolarHBondContact CA-O 3.31Å; M118-L124 HydrophobicContact CB-CD1 4.44Å; M118-L124 HydrophobicContact CE-CD1 3.88Å; M118-H132 PolarHBondContact O-CE1 3.23Å; M118-H132 PolarHBondContact O-NE2 2.97Å |
| 119 | D | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | trans | -88.6 | 172.9 | 173.8 | 76.3 | -19.9 | 0 | 0 | 0 | 111.9 | L88 N101 Y117 L121 A122 A123 | L88-D119 WeakPolarHBondContact CD2-O 3.4Å; N101-D119 VanDerWaalsContact OD1-CA 3.25Å; N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; Y117-D119 HydrophobicContact CE1-CB 4.08Å; D119-L121 PolarHBondContact O-N 3.14Å; D119-L121 VanDerWaalsContact O-N 3.1Å; D119-L121 PolarHBondContact OD1-N 2.81Å; D119-A122 WeakPolarHBondContact O-CA 3.42Å; D119-A122 PolarHBondContact O-N 3.43Å; D119-A122 PolarHBondContact OD1-N 2.83Å; D119-A123 PolarHBondContact N-O 3.17Å; D119-A123 VanDerWaalsContact OD1-CB 3.29Å; D119-A123 WeakPolarHBondContact OD1-CB 3.23Å; D119-A123 PolarHBondContact OD1-N 3.34Å | ||
| 120 | Y | 97.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 49 Ų | 49 | 35% | 0.349 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.1 | 178.3 | 76.1 | -81.7 | 0 | 0 | 0 | 114.3 | H99 V100 N101 | H99-Y120 AromaticContact CE1-CD2 3.62Å; H99-Y120 AromaticContact CE1-CE2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.85Å; H99-Y120 AromaticContact ND1-CD2 3.68Å; V100-Y120 WeakPolarHBondContact O-CA 3.43Å; V100-Y120 WeakPolarHBondContact O-CB 3.41Å; V100-Y120 PolarHBondContact O-N 3.3Å; N101-Y120 PolarHBondContact OD1-N 3.47Å |
| 121 | L | 98.1 | Very high | 98.3 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 45% | 0.445 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 2.3 | 172.2 | -58.4 | -179.8 | 0 | 0 | 0 | 112.8 | L92 D119 A123 | L92-L121 HydrophobicContact CD1-CD2 3.94Å; D119-L121 PolarHBondContact O-N 3.14Å; D119-L121 VanDerWaalsContact O-N 3.1Å; D119-L121 PolarHBondContact OD1-N 2.81Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 2.98Å |
| 122 | A | 97.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 5% | 0.05 | 19% | 0.192 | C | C | . | . | trans | 61.8 | 29.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R85 L88 A89 D119 | R85-A122 HydrophobicContact CG-CB 4.18Å; R85-A122 WeakPolarHBondContact CG-O 3.36Å; L88-A122 HydrophobicContact CB-CB 3.88Å; L88-A122 HydrophobicContact CD2-CB 4.07Å; L88-A122 HydrophobicContact CG-CB 3.93Å; A89-A122 HydrophobicContact CB-CB 3.67Å; D119-A122 WeakPolarHBondContact O-CA 3.42Å; D119-A122 PolarHBondContact O-N 3.43Å; D119-A122 PolarHBondContact OD1-N 2.83Å | ||
| 123 | A | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 46% | 0.463 | 20% | 0.198 | S | C | . | . | trans | -76 | 121.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | M118 D119 L121 | M118-A123 VanDerWaalsContact CA-O 3.27Å; M118-A123 WeakPolarHBondContact CA-O 3.31Å; D119-A123 PolarHBondContact N-O 3.17Å; D119-A123 VanDerWaalsContact OD1-CB 3.29Å; D119-A123 WeakPolarHBondContact OD1-CB 3.23Å; D119-A123 PolarHBondContact OD1-N 3.34Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 2.98Å | ||
| 124 | L | 98.7 | Very high | 98.4 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125 | -176.3 | 175.1 | 61.1 | 0 | 0 | 0 | 110.4 | A81 R85 Y116 Y117 M118 | A81-L124 HydrophobicContact CB-CD1 4.3Å; A81-L124 HydrophobicContact CB-CD2 4.2Å; R85-L124 HydrophobicContact CB-CD2 4.26Å; R85-L124 HydrophobicContact CG-CB 4Å; R85-L124 HydrophobicContact CG-CD2 4.5Å; Y116-L124 HydrophobicContact CD1-CD1 3.72Å; Y116-L124 HydrophobicContact CD1-CG 4.29Å; Y116-L124 HydrophobicContact CG-CD1 4.1Å; Y117-L124 WeakPolarHBondContact O-CA 3.05Å; Y117-L124 WeakPolarHBondContact O-CD1 3.21Å; M118-L124 HydrophobicContact CB-CD1 4.44Å; M118-L124 HydrophobicContact CE-CD1 3.88Å |
| 125 | A | 98.7 | Very high | 98.3 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 131.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y116 Y117 | Y116-A125 WeakPolarHBondContact CA-O 3.21Å; Y117-A125 PolarHBondContact N-O 2.8Å; Y117-A125 PolarHBondContact O-N 2.84Å |
| 126 | K | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 41.5 Ų | 41.5 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132.8 | 167.3 | -166.1 | 179.7 | -169.1 | -71.9 | 0 | 108.4 | Q8 L115 Y116 | Q8-K126 VanDerWaalsContact OE1-NZ 3.13Å; L115-K126 WeakPolarHBondContact O-CA 3.45Å; L115-K126 WeakPolarHBondContact O-CG 3.2Å; Y116-K126 HydrophobicContact CD1-CB 3.93Å; Y116-K126 HydrophobicContact CD1-CG 4.18Å; Y116-K126 HydrophobicContact CE1-CB 3.68Å; Y116-K126 HydrophobicContact CE1-CD 4.1Å; Y116-K126 HydrophobicContact CE1-CG 3.81Å |
| 127 | A | 98.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | trans | -141.1 | 149.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L115 F129 A130 | L115-A127 WeakPolarHBondContact CB-O 3.37Å; L115-A127 PolarHBondContact O-N 3.46Å; A127-F129 VanDerWaalsContact C-N 3.26Å; A127-F129 WeakPolarHBondContact CB-O 3.15Å; A127-F129 PolarHBondContact O-N 3.37Å; A127-A130 HydrophobicContact CB-CB 4.35Å | ||
| 128 | P | 98.5 | Very high | 98.2 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 37% | 0.37 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -68.2 | -27.9 | 174.2 | 27.3 | -33.8 | 0 | 0 | 0 | 112.6 | Q8 Y147 | Q8-P128 WeakPolarHBondContact CA-O 3.46Å; Q8-P128 WeakPolarHBondContact CB-O 3.27Å; Q8-P128 PolarHBondContact N-O 2.91Å; P128-Y147 HydrophobicContact CB-CE1 3.61Å; P128-Y147 HydrophobicContact CB-CE2 4.48Å; P128-Y147 WeakPolarHBondContact CB-OH 3.37Å; P128-Y147 HydrophobicContact CG-CE1 4.35Å |
| 129 | F | 98.7 | Very high | 98.2 | Very high | 31 Ų | 31 | 47 Ų | 47 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 153.6 | 170.8 | 51.5 | -95.8 | 0 | 0 | 0 | 108 | G6 A127 L140 L143 D144 Y147 | G6-F129 CarbonylContact O-C 3.54Å; G6-F129 WeakPolarHBondContact O-CA 3.07Å; G6-F129 WeakPolarHBondContact O-CB 3.42Å; A127-F129 VanDerWaalsContact C-N 3.26Å; A127-F129 WeakPolarHBondContact CB-O 3.15Å; A127-F129 PolarHBondContact O-N 3.37Å; F129-L140 HydrophobicContact CD2-CD2 4.33Å; F129-L140 HydrophobicContact CE2-CD2 4.5Å; F129-L143 HydrophobicContact CB-CD1 4.23Å; F129-L143 HydrophobicContact CD2-CB 3.65Å; F129-L143 HydrophobicContact CD2-CD1 3.82Å; F129-L143 HydrophobicContact CD2-CG 4.33Å; F129-L143 HydrophobicContact CE2-CB 3.79Å; F129-L143 HydrophobicContact CG-CB 4.04Å; F129-L143 HydrophobicContact CG-CD1 4.25Å; F129-L143 HydrophobicContact CZ-CB 4.29Å; F129-D144 WeakPolarHBondContact CE2-OD1 3.3Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.2Å; F129-Y147 AromaticContact CD1-CD1 3.64Å; F129-Y147 HydrophobicContact CD1-CD1 3.64Å; F129-Y147 AromaticContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CE1 4.06Å; F129-Y147 HydrophobicContact CD1-CE2 4.11Å; F129-Y147 AromaticContact CD1-CG 3.45Å; F129-Y147 HydrophobicContact CD1-CG 3.45Å; F129-Y147 VanDerWaalsContact CD1-CG 3.45Å; F129-Y147 AromaticContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD1 3.5Å; F129-Y147 VanDerWaalsContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD2 4.33Å; F129-Y147 HydrophobicContact CE1-CE1 4.16Å; F129-Y147 AromaticContact CE1-CG 3.6Å; F129-Y147 HydrophobicContact CE1-CG 3.6Å |
| 130 | A | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 155.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I5 G6 L103 L115 Y117 A127 | I5-A130 CarbonylContact C-O 3.53Å; I5-A130 WeakPolarHBondContact CA-O 3.32Å; G6-A130 PolarHBondContact N-O 3.45Å; G6-A130 PolarHBondContact O-N 3.27Å; L103-A130 HydrophobicContact CD2-CB 3.78Å; L115-A130 HydrophobicContact CD2-CB 4.22Å; Y117-A130 HydrophobicContact CD2-CB 4.06Å; A127-A130 HydrophobicContact CB-CB 4.35Å |
| 131 | A | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y3 L4 I5 A136 L140 | Y3-A131 HydrophobicContact CE2-CB 4.23Å; L4-A131 CarbonylContact O-C 3.58Å; L4-A131 WeakPolarHBondContact O-CA 3.45Å; L4-A131 VanDerWaalsContact O-CB 3.27Å; L4-A131 WeakPolarHBondContact O-CB 3.43Å; I5-A131 HydrophobicContact CB-CB 4.48Å; A131-A136 HydrophobicContact CB-CB 3.59Å; A131-L140 HydrophobicContact CB-CD2 4.34Å |
| 132 | H | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.5 | 174.1 | -84.8 | 121.7 | 0 | 0 | 0 | 111.3 | L4 V47 L102 Y117 M118 | L4-H132 HydrophobicContact CB-CB 4.19Å; L4-H132 HydrophobicContact CD1-CB 4.32Å; L4-H132 HydrophobicContact CG-CB 4.42Å; L4-H132 PolarHBondContact N-O 3.38Å; L4-H132 PolarHBondContact O-N 2.88Å; V47-H132 HydrophobicContact CG2-CB 4.07Å; L102-H132 PolarHBondContact N-CE1 2.98Å; L102-H132 PolarHBondContact O-CE1 3.49Å; L102-H132 PolarHBondContact O-ND1 3.1Å; Y117-H132 AromaticContact CD2-CE1 3.44Å; Y117-H132 VanDerWaalsContact CD2-CE1 3.44Å; Y117-H132 WeakPolarHBondContact CD2-CE1 3.27Å; Y117-H132 AromaticContact CD2-NE2 3.64Å; Y117-H132 AromaticContact CE1-NE2 3.71Å; Y117-H132 AromaticContact CE2-CD2 3.41Å; Y117-H132 VanDerWaalsContact CE2-CD2 3.41Å; Y117-H132 WeakPolarHBondContact CE2-CD2 3.47Å; Y117-H132 AromaticContact CE2-CE1 3.31Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.37Å; Y117-H132 AromaticContact CE2-CG 3.96Å; Y117-H132 AromaticContact CE2-ND1 3.9Å; Y117-H132 AromaticContact CE2-NE2 2.99Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.36Å; Y117-H132 AromaticContact CZ-CD2 3.66Å; Y117-H132 AromaticContact CZ-CE1 3.7Å; Y117-H132 AromaticContact CZ-NE2 3.01Å; Y117-H132 PolarHBondContact OH-NE2 2.93Å; M118-H132 PolarHBondContact O-CE1 3.23Å; M118-H132 PolarHBondContact O-NE2 2.97Å |
| 133 | G | 96.8 | Very high | 98.3 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 85.1 | 172.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | E2 G135 A136 | E2-G133 WeakPolarHBondContact O-CA 3.5Å; G133-G135 PolarHBondContact O-N 2.85Å; G133-A136 WeakPolarHBondContact O-CB 3.45Å; G133-A136 PolarHBondContact O-N 3.22Å |
| 134 | Y | 97.4 | Very high | 98.3 | Very high | 138 Ų | 138 | 47.3 Ų | 47.3 | 54% | 0.541 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.4 | -174 | -64.9 | -34.6 | 0 | 0 | 0 | 114.2 | M1 A136 F137 | M1-Y134 HydrophobicContact CB-CD2 4.28Å; M1-Y134 HydrophobicContact CE-CD1 3.73Å; M1-Y134 HydrophobicContact CE-CD2 3.38Å; M1-Y134 HydrophobicContact CE-CE1 3.63Å; M1-Y134 HydrophobicContact CE-CE2 3.26Å; M1-Y134 HydrophobicContact CE-CG 3.59Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.39Å; M1-Y134 HydrophobicContact CG-CG 4.06Å; M1-Y134 HydrophobicContact SD-CD2 4.3Å; M1-Y134 HydrophobicContact SD-CG 4.37Å; Y134-A136 PolarHBondContact O-N 3.18Å; Y134-F137 HydrophobicContact CD1-CD2 4.29Å; Y134-F137 AromaticContact CD1-CE2 3.97Å; Y134-F137 HydrophobicContact CD1-CE2 3.97Å; Y134-F137 WeakPolarHBondContact O-CD2 3.25Å; Y134-F137 PolarHBondContact O-N 2.92Å |
| 135 | G | 97 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y3 G133 F137 L138 T139 L167 | Y3-G135 VanDerWaalsContact CE2-C 3.41Å; G133-G135 PolarHBondContact O-N 2.85Å; G135-F137 VanDerWaalsContact C-N 3.25Å; G135-F137 PolarHBondContact O-N 2.87Å; G135-L138 PolarHBondContact O-N 2.89Å; G135-T139 WeakPolarHBondContact O-CG2 3.29Å; G135-T139 PolarHBondContact O-N 2.85Å; G135-T139 PolarHBondContact O-OG1 2.84Å; G135-L167 VanDerWaalsContact CA-CD2 3.41Å |
| 136 | A | 98 | Very high | 98.3 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.8 | -36.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A131 G133 Y134 L138 T139 L140 | A131-A136 HydrophobicContact CB-CB 3.59Å; G133-A136 WeakPolarHBondContact O-CB 3.45Å; G133-A136 PolarHBondContact O-N 3.22Å; Y134-A136 PolarHBondContact O-N 3.18Å; A136-L138 PolarHBondContact O-N 2.95Å; A136-T139 PolarHBondContact O-N 2.94Å; A136-L140 HydrophobicContact CB-CD1 4.06Å; A136-L140 HydrophobicContact CB-CG 4.37Å; A136-L140 WeakPolarHBondContact O-CB 3.49Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.18Å; A136-L140 PolarHBondContact O-N 2.85Å |
| 137 | F | 98.1 | Very high | 98.3 | Very high | 163 Ų | 163 | 52 Ų | 52 | 72% | 0.715 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.6 | -26.3 | 178.3 | -68.5 | -71 | 0 | 0 | 0 | 113.2 | Y134 G135 | Y134-F137 HydrophobicContact CD1-CD2 4.29Å; Y134-F137 AromaticContact CD1-CE2 3.97Å; Y134-F137 HydrophobicContact CD1-CE2 3.97Å; Y134-F137 WeakPolarHBondContact O-CD2 3.25Å; Y134-F137 PolarHBondContact O-N 2.92Å; G135-F137 VanDerWaalsContact C-N 3.25Å; G135-F137 PolarHBondContact O-N 2.87Å |
| 138 | L | 98.1 | Very high | 98.3 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -92 | -23 | 179.4 | -60.7 | 176.5 | 0 | 0 | 0 | 112.3 | G135 A136 E166 L167 R170 F171 | G135-L138 PolarHBondContact O-N 2.89Å; A136-L138 PolarHBondContact O-N 2.95Å; L138-E166 HydrophobicContact CB-CG 4.27Å; L138-L167 HydrophobicContact CB-CD2 4.2Å; L138-L167 HydrophobicContact CD1-CD2 4.22Å; L138-R170 HydrophobicContact CD1-CB 4.07Å; L138-R170 HydrophobicContact CD2-CB 4.41Å; L138-F171 HydrophobicContact CD1-CB 3.71Å; L138-F171 HydrophobicContact CD1-CD2 3.91Å; L138-F171 HydrophobicContact CD1-CG 4.2Å |
| 139 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -108.2 | -26.7 | -170.1 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | Y3 G135 A136 S141 I142 L143 C163 L167 | Y3-T139 HydrophobicContact CE2-CG2 4.5Å; Y3-T139 VanDerWaalsContact OH-CB 3.31Å; Y3-T139 WeakPolarHBondContact OH-CB 2.9Å; Y3-T139 VanDerWaalsContact OH-CG2 3.31Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.22Å; Y3-T139 PolarHBondContact OH-OG1 2.9Å; G135-T139 WeakPolarHBondContact O-CG2 3.29Å; G135-T139 PolarHBondContact O-N 2.85Å; G135-T139 PolarHBondContact O-OG1 2.84Å; A136-T139 PolarHBondContact O-N 2.94Å; T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.27Å; T139-I142 WeakPolarHBondContact O-CB 3.45Å; T139-I142 PolarHBondContact O-N 2.87Å; T139-L143 PolarHBondContact O-N 3.33Å; T139-L143 VanDerWaalsContact O-N 3.07Å; T139-C163 HydrophobicContact CG2-CB 3.72Å; T139-C163 WeakPolarHBondContact CG2-O 3.29Å; T139-L167 HydrophobicContact CG2-CD1 4.47Å; T139-L167 HydrophobicContact CG2-CD2 3.74Å; T139-L167 HydrophobicContact CG2-CG 3.91Å |
| 140 | L | 98.7 | Very high | 98.3 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 31% | 0.309 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | -178.1 | -77.4 | 168 | 0 | 0 | 0 | 112.2 | F129 A131 A136 I142 L143 D144 | F129-L140 HydrophobicContact CD2-CD2 4.33Å; F129-L140 HydrophobicContact CE2-CD2 4.5Å; A131-L140 HydrophobicContact CB-CD2 4.34Å; A136-L140 HydrophobicContact CB-CD1 4.06Å; A136-L140 HydrophobicContact CB-CG 4.37Å; A136-L140 WeakPolarHBondContact O-CB 3.49Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.18Å; A136-L140 PolarHBondContact O-N 2.85Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 3.47Å; L140-L143 HydrophobicContact CD2-CD1 4.29Å; L140-L143 WeakPolarHBondContact O-CB 3.48Å; L140-L143 PolarHBondContact O-N 3.42Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L140-D144 PolarHBondContact O-N 2.97Å |
| 141 | S | 98.6 | Very high | 98.2 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 52% | 0.517 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -29.7 | 176 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | T139 R145 | T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.27Å; S141-R145 VanDerWaalsContact O-CB 3.27Å; S141-R145 WeakPolarHBondContact O-CB 3.19Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.1Å |
| 142 | I | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70 | -42.2 | 173.4 | -62.2 | 176.3 | 0 | 0 | 0 | 109.6 | T139 L140 R145 Y146 L159 K162 E166 | T139-I142 WeakPolarHBondContact O-CB 3.45Å; T139-I142 PolarHBondContact O-N 2.87Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 3.47Å; I142-R145 PolarHBondContact O-N 3.31Å; I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.1Å; I142-Y146 VanDerWaalsContact O-CD2 3.24Å; I142-Y146 WeakPolarHBondContact O-CD2 3.16Å; I142-Y146 PolarHBondContact O-N 2.74Å; I142-Y146 VanDerWaalsContact O-N 3.17Å; I142-L159 HydrophobicContact CG2-CD1 4.02Å; I142-K162 HydrophobicContact CG2-CB 4.31Å; I142-E166 HydrophobicContact CD1-CB 3.47Å; I142-E166 VanDerWaalsContact CD1-CB 3.47Å; I142-E166 HydrophobicContact CD1-CG 3.67Å |
| 143 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.5 | -51.4 | 175.6 | -64.2 | 170 | 0 | 0 | 0 | 110.7 | I5 I7 F129 T139 L140 R145 Y146 Y147 L159 | I5-L143 HydrophobicContact CD1-CD1 3.94Å; I5-L143 HydrophobicContact CD1-CD2 4.28Å; I5-L143 HydrophobicContact CG1-CD1 4.38Å; I7-L143 HydrophobicContact CD1-CD2 3.73Å; I7-L143 HydrophobicContact CG1-CD2 4.05Å; F129-L143 HydrophobicContact CB-CD1 4.23Å; F129-L143 HydrophobicContact CD2-CB 3.65Å; F129-L143 HydrophobicContact CD2-CD1 3.82Å; F129-L143 HydrophobicContact CD2-CG 4.33Å; F129-L143 HydrophobicContact CE2-CB 3.79Å; F129-L143 HydrophobicContact CG-CB 4.04Å; F129-L143 HydrophobicContact CG-CD1 4.25Å; F129-L143 HydrophobicContact CZ-CB 4.29Å; T139-L143 PolarHBondContact O-N 3.33Å; T139-L143 VanDerWaalsContact O-N 3.07Å; L140-L143 HydrophobicContact CD2-CD1 4.29Å; L140-L143 WeakPolarHBondContact O-CB 3.48Å; L140-L143 PolarHBondContact O-N 3.42Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L143-R145 PolarHBondContact O-N 2.88Å; L143-R145 VanDerWaalsContact O-N 3.14Å; L143-Y146 PolarHBondContact O-N 2.72Å; L143-Y147 WeakPolarHBondContact O-CB 3.37Å; L143-Y147 PolarHBondContact O-N 3.39Å; L143-L159 HydrophobicContact CD2-CD1 4.38Å; L143-L159 HydrophobicContact CD2-CD2 3.87Å; L143-L159 HydrophobicContact CD2-CG 3.9Å |
| 144 | D | 98.6 | Very high | 98.1 | Very high | 114 Ų | 114 | 70.4 Ų | 70.4 | 61% | 0.61 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53 | -37.5 | 175.5 | -71.8 | -35.7 | 0 | 0 | 0 | 112.1 | F129 L140 | F129-D144 WeakPolarHBondContact CE2-OD1 3.3Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.2Å; L140-D144 PolarHBondContact O-N 2.97Å |
| 145 | R | 98.6 | Very high | 98.2 | Very high | 171 Ų | 171 | 70.4 Ų | 70.4 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.4 | -34.8 | -177.1 | 178.7 | 59.4 | -172.9 | 90.1 | -5.8 | 114 | S141 I142 L143 | S141-R145 VanDerWaalsContact O-CB 3.27Å; S141-R145 WeakPolarHBondContact O-CB 3.19Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.1Å; I142-R145 PolarHBondContact O-N 3.31Å; L143-R145 PolarHBondContact O-N 2.88Å; L143-R145 VanDerWaalsContact O-N 3.14Å |
| 146 | Y | 98.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -121.2 | -14.6 | -166.4 | -65.2 | -63.2 | 0 | 0 | 0 | 114.8 | I142 L143 L159 | I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.1Å; I142-Y146 VanDerWaalsContact O-CD2 3.24Å; I142-Y146 WeakPolarHBondContact O-CD2 3.16Å; I142-Y146 PolarHBondContact O-N 2.74Å; I142-Y146 VanDerWaalsContact O-N 3.17Å; L143-Y146 PolarHBondContact O-N 2.72Å; Y146-L159 HydrophobicContact CD2-CD1 4.12Å; Y146-L159 HydrophobicContact CG-CD1 4.31Å |
| 147 | Y | 98.7 | Very high | 98.3 | Very high | 34 Ų | 34 | 71.6 Ų | 71.6 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | trans | -68.8 | 142.7 | 179.7 | 176.5 | -93.9 | 0 | 0 | 0 | 111.8 | I7 Q8 P128 F129 L143 P149 I151 | I7-Y147 HydrophobicContact CG2-CD2 3.95Å; I7-Y147 HydrophobicContact CG2-CE2 3.95Å; Q8-Y147 VanDerWaalsContact O-CE2 3.25Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.25Å; Q8-Y147 PolarHBondContact O-OH 2.78Å; P128-Y147 HydrophobicContact CB-CE1 3.61Å; P128-Y147 HydrophobicContact CB-CE2 4.48Å; P128-Y147 WeakPolarHBondContact CB-OH 3.37Å; P128-Y147 HydrophobicContact CG-CE1 4.35Å; F129-Y147 AromaticContact CD1-CD1 3.64Å; F129-Y147 HydrophobicContact CD1-CD1 3.64Å; F129-Y147 AromaticContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CE1 4.06Å; F129-Y147 HydrophobicContact CD1-CE2 4.11Å; F129-Y147 AromaticContact CD1-CG 3.45Å; F129-Y147 HydrophobicContact CD1-CG 3.45Å; F129-Y147 VanDerWaalsContact CD1-CG 3.45Å; F129-Y147 AromaticContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD1 3.5Å; F129-Y147 VanDerWaalsContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD2 4.33Å; F129-Y147 HydrophobicContact CE1-CE1 4.16Å; F129-Y147 AromaticContact CE1-CG 3.6Å; F129-Y147 HydrophobicContact CE1-CG 3.6Å; L143-Y147 WeakPolarHBondContact O-CB 3.37Å; L143-Y147 PolarHBondContact O-N 3.39Å; Y147-P149 HydrophobicContact CE1-CG 4.33Å; Y147-I151 HydrophobicContact CD2-CG2 4.21Å; Y147-I151 HydrophobicContact CE2-CG2 3.91Å | ||
| 148 | T | 98.1 | Very high | 98.3 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | trans | -136.6 | 149.3 | 164.4 | 59.3 | 0 | 0 | 0 | 0 | 109.3 | T150 I151 | T148-T150 PolarHBondContact O-N 3.36Å; T148-I151 VanDerWaalsContact O-CB 3.29Å; T148-I151 WeakPolarHBondContact O-CB 3.46Å; T148-I151 WeakPolarHBondContact O-CG2 3.46Å; T148-I151 PolarHBondContact O-N 3.05Å | ||
| 149 | P | 97.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 65.6 Ų | 65.6 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.8 | 177.6 | -26.9 | 35.7 | 0 | 0 | 0 | 114.4 | P10 Y147 | P10-P149 WeakPolarHBondContact CG-O 3.13Å; Y147-P149 HydrophobicContact CE1-CG 4.33Å |
| 150 | T | 98.2 | Very high | 98.3 | Very high | 115 Ų | 115 | 65.7 Ų | 65.7 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.5 | -179.4 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | T148 S152 | T148-T150 PolarHBondContact O-N 3.36Å; T150-S152 PolarHBondContact O-N 2.93Å |
| 151 | I | 98.1 | Very high | 98.3 | Very high | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | trans | -59.3 | 126.4 | -176.8 | -169.3 | 169.9 | 0 | 0 | 0 | 111.8 | P10 Y12 Y147 T148 R155 A156 L159 | P10-I151 WeakPolarHBondContact CD-O 3.5Å; Y12-I151 WeakPolarHBondContact CE1-O 3.5Å; Y12-I151 PolarHBondContact OH-O 3.14Å; Y147-I151 HydrophobicContact CD2-CG2 4.21Å; Y147-I151 HydrophobicContact CE2-CG2 3.91Å; T148-I151 VanDerWaalsContact O-CB 3.29Å; T148-I151 WeakPolarHBondContact O-CB 3.46Å; T148-I151 WeakPolarHBondContact O-CG2 3.46Å; T148-I151 PolarHBondContact O-N 3.05Å; I151-R155 HydrophobicContact CD1-CB 4.39Å; I151-R155 HydrophobicContact CD1-CG 4.1Å; I151-R155 HydrophobicContact CG1-CB 3.81Å; I151-R155 HydrophobicContact CG1-CG 3.87Å; I151-A156 HydrophobicContact CD1-CB 4.12Å; I151-A156 HydrophobicContact CG1-CB 4.26Å; I151-L159 HydrophobicContact CD1-CB 4.35Å; I151-L159 HydrophobicContact CD1-CD2 3.76Å | ||
| 152 | S | 98.1 | Very high | 98.2 | Very high | 55 Ų | 55 | 66.7 Ų | 66.7 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -70.6 | 158.8 | 175.9 | 87.9 | 0 | 0 | 0 | 0 | 111.4 | Y12 T150 E154 R155 A156 | Y12-S152 PolarHBondContact OH-O 3.4Å; T150-S152 PolarHBondContact O-N 2.93Å; S152-E154 VanDerWaalsContact C-N 3.29Å; S152-E154 VanDerWaalsContact CB-OE2 3.3Å; S152-E154 WeakPolarHBondContact CB-OE2 3.33Å; S152-E154 PolarHBondContact O-N 2.82Å; S152-E154 PolarHBondContact OG-OE2 2.73Å; S152-R155 PolarHBondContact O-N 3.24Å; S152-R155 VanDerWaalsContact O-N 3.11Å; S152-R155 PolarHBondContact OG-N 2.76Å; S152-A156 PolarHBondContact O-N 3.34Å | ||
| 153 | R | 97.3 | Very high | 98.2 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -45.2 | -179 | -64.6 | 179.9 | 175.6 | -154.8 | 2.6 | 112.1 | D11 Y12 R155 A156 V157 I182 D184 | D11-R153 IonicContact OD2-CZ 3.44Å; D11-R153 IonicContact OD2-NE 3.72Å; D11-R153 IonicContact OD2-NH2 3.96Å; D11-R153 PolarHBondContact OD2-NH2 3.43Å; Y12-R153 HydrophobicContact CD1-CG 3.4Å; Y12-R153 HydrophobicContact CD2-CG 4.17Å; Y12-R153 HydrophobicContact CE1-CB 4.28Å; Y12-R153 HydrophobicContact CE1-CG 3.43Å; Y12-R153 VanDerWaalsContact CE1-CG 3.43Å; Y12-R153 HydrophobicContact CE2-CG 4.2Å; Y12-R153 HydrophobicContact CG-CG 3.79Å; Y12-R153 PolarHBondContact OH-N 3.46Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.13Å; R153-A156 PolarHBondContact O-N 2.72Å; R153-V157 WeakPolarHBondContact O-CG2 3.19Å; R153-V157 PolarHBondContact O-N 2.9Å; R153-I182 HydrophobicContact CB-CD1 4.16Å; R153-I182 HydrophobicContact CG-CD1 3.77Å; R153-D184 IonicContact CZ-OD2 3.68Å; R153-D184 IonicContact NH1-OD2 2.67Å; R153-D184 PolarHBondContact NH1-OD2 2.72Å; R153-D184 IonicContact NH2-OD2 2.74Å; R153-D184 PolarHBondContact NH2-OD2 3.23Å |
| 154 | E | 97.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 65.5 Ų | 65.5 | 61% | 0.607 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 179.5 | -52.8 | 70.5 | -149.8 | 0 | 0 | 110.1 | S152 A156 V157 E158 | S152-E154 VanDerWaalsContact C-N 3.29Å; S152-E154 VanDerWaalsContact CB-OE2 3.3Å; S152-E154 WeakPolarHBondContact CB-OE2 3.33Å; S152-E154 PolarHBondContact O-N 2.82Å; S152-E154 PolarHBondContact OG-OE2 2.73Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.87Å; E154-V157 PolarHBondContact O-N 2.95Å; E154-E158 PolarHBondContact O-N 2.91Å |
| 155 | R | 97.9 | Very high | 98.1 | Very high | 138 Ų | 138 | 64.6 Ų | 64.6 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.6 | -32.9 | 179.1 | -169.7 | 56.2 | 172 | -170.4 | -2.7 | 112.4 | I151 S152 R153 E158 L159 | I151-R155 HydrophobicContact CD1-CB 4.39Å; I151-R155 HydrophobicContact CD1-CG 4.1Å; I151-R155 HydrophobicContact CG1-CB 3.81Å; I151-R155 HydrophobicContact CG1-CG 3.87Å; S152-R155 PolarHBondContact O-N 3.24Å; S152-R155 VanDerWaalsContact O-N 3.11Å; S152-R155 PolarHBondContact OG-N 2.76Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.13Å; R155-E158 PolarHBondContact O-N 3.01Å; R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 PolarHBondContact O-N 3.48Å |
| 156 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I7 Y12 L14 I151 S152 R153 E154 L159 L160 | I7-A156 HydrophobicContact CG2-CB 4.36Å; Y12-A156 HydrophobicContact CE2-CB 3.93Å; Y12-A156 WeakPolarHBondContact OH-CB 3.4Å; L14-A156 HydrophobicContact CD2-CB 3.93Å; I151-A156 HydrophobicContact CD1-CB 4.12Å; I151-A156 HydrophobicContact CG1-CB 4.26Å; S152-A156 PolarHBondContact O-N 3.34Å; R153-A156 PolarHBondContact O-N 2.72Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.87Å; A156-L159 PolarHBondContact O-N 2.63Å; A156-L160 WeakPolarHBondContact O-CB 3.45Å; A156-L160 PolarHBondContact O-N 3.01Å |
| 157 | V | 98.3 | Very high | 98.1 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 172.9 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L14 R153 E154 L160 R161 L191 | L14-V157 HydrophobicContact CD1-CG2 4.16Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; R153-V157 WeakPolarHBondContact O-CG2 3.19Å; R153-V157 PolarHBondContact O-N 2.9Å; E154-V157 PolarHBondContact O-N 2.95Å; V157-L160 WeakPolarHBondContact O-CB 3.46Å; V157-L160 PolarHBondContact O-N 3.42Å; V157-R161 PolarHBondContact O-N 2.7Å; V157-L191 HydrophobicContact CG2-CD1 4.17Å |
| 158 | E | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 174.3 | -71.9 | -58 | 117.6 | 0 | 0 | 112.8 | E154 R155 R161 K162 | E154-E158 PolarHBondContact O-N 2.91Å; R155-E158 PolarHBondContact O-N 3.01Å; E158-R161 WeakPolarHBondContact O-CB 3.34Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 IonicContact OE1-NE 2.62Å; E158-R161 PolarHBondContact OE1-NE 3.38Å; E158-K162 WeakPolarHBondContact O-CG 3.49Å; E158-K162 PolarHBondContact O-N 2.78Å; E158-K162 VanDerWaalsContact O-N 3.07Å |
| 159 | L | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 173 | 178 | 55.6 | 0 | 0 | 0 | 111.6 | I7 I142 L143 Y146 I151 R155 A156 R161 K162 C163 | I7-L159 HydrophobicContact CD1-CD2 4.43Å; I7-L159 HydrophobicContact CD1-CG 4.37Å; I142-L159 HydrophobicContact CG2-CD1 4.02Å; L143-L159 HydrophobicContact CD2-CD1 4.38Å; L143-L159 HydrophobicContact CD2-CD2 3.87Å; L143-L159 HydrophobicContact CD2-CG 3.9Å; Y146-L159 HydrophobicContact CD2-CD1 4.12Å; Y146-L159 HydrophobicContact CG-CD1 4.31Å; I151-L159 HydrophobicContact CD1-CB 4.35Å; I151-L159 HydrophobicContact CD1-CD2 3.76Å; R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 PolarHBondContact O-N 3.48Å; A156-L159 PolarHBondContact O-N 2.63Å; L159-R161 VanDerWaalsContact C-N 3.35Å; L159-K162 WeakPolarHBondContact O-CB 3.43Å; L159-K162 PolarHBondContact O-N 3.23Å; L159-C163 PolarHBondContact O-N 3.09Å; L159-C163 VanDerWaalsContact O-N 3.11Å; L159-C163 PolarHBondContact O-SG 3.17Å |
| 160 | L | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.6 | -48.7 | 172 | 171.1 | 63.4 | 0 | 0 | 0 | 110.3 | I5 I7 L14 A16 A156 V157 K162 C163 L164 V180 I194 | I5-L160 HydrophobicContact CD1-CD1 4.04Å; I5-L160 HydrophobicContact CG2-CD1 3.51Å; I7-L160 HydrophobicContact CD1-CB 4.31Å; L14-L160 HydrophobicContact CD2-CB 4.1Å; L14-L160 HydrophobicContact CD2-CD2 4.01Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; A16-L160 HydrophobicContact CB-CD1 3.87Å; A16-L160 HydrophobicContact CB-CD2 3.82Å; A16-L160 HydrophobicContact CB-CG 4.48Å; A156-L160 WeakPolarHBondContact O-CB 3.45Å; A156-L160 PolarHBondContact O-N 3.01Å; V157-L160 WeakPolarHBondContact O-CB 3.46Å; V157-L160 PolarHBondContact O-N 3.42Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 3.02Å; L160-C163 WeakPolarHBondContact O-CA 3.26Å; L160-C163 WeakPolarHBondContact O-CB 3.35Å; L160-C163 PolarHBondContact O-N 3.04Å; L160-L164 HydrophobicContact CD1-CD1 4.03Å; L160-L164 HydrophobicContact CD1-CD2 4.17Å; L160-L164 HydrophobicContact CD1-CG 3.94Å; L160-L164 HydrophobicContact CG-CD1 4.03Å; L160-L164 HydrophobicContact CG-CG 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.01Å; L160-L164 PolarHBondContact O-N 3.4Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 4.09Å; L160-I194 HydrophobicContact CD2-CD1 3.83Å; L160-I194 HydrophobicContact CG-CD1 4.03Å |
| 161 | R | 98.2 | Very high | 97.8 | Very high | 82 Ų | 82 | 54.9 Ų | 54.9 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53.8 | -46.2 | 177.1 | -175.8 | -177.8 | -59.3 | -71.1 | -3.3 | 112 | V157 E158 L159 C163 L164 E165 | V157-R161 PolarHBondContact O-N 2.7Å; E158-R161 WeakPolarHBondContact O-CB 3.34Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 IonicContact OE1-NE 2.62Å; E158-R161 PolarHBondContact OE1-NE 3.38Å; L159-R161 VanDerWaalsContact C-N 3.35Å; R161-C163 VanDerWaalsContact C-N 3.32Å; R161-C163 PolarHBondContact O-N 3.44Å; R161-L164 PolarHBondContact O-N 3.29Å; R161-L164 VanDerWaalsContact O-N 3.17Å; R161-E165 HydrophobicContact CG-CG 4.44Å; R161-E165 WeakPolarHBondContact CG-OE1 3.43Å; R161-E165 WeakPolarHBondContact O-CB 3.46Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.47Å |
| 162 | K | 98.2 | Very high | 97.7 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 175 | -71.3 | -179.2 | 176.6 | -159.6 | 0 | 113.1 | I142 E158 L159 L160 E166 | I142-K162 HydrophobicContact CG2-CB 4.31Å; E158-K162 WeakPolarHBondContact O-CG 3.49Å; E158-K162 PolarHBondContact O-N 2.78Å; E158-K162 VanDerWaalsContact O-N 3.07Å; L159-K162 WeakPolarHBondContact O-CB 3.43Å; L159-K162 PolarHBondContact O-N 3.23Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 3.02Å; K162-E166 PolarHBondContact O-N 3.23Å; K162-E166 VanDerWaalsContact O-N 3.08Å |
| 163 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | I5 T139 L159 L160 R161 E166 L167 | I5-C163 HydrophobicContact CD1-CB 4.11Å; T139-C163 HydrophobicContact CG2-CB 3.72Å; T139-C163 WeakPolarHBondContact CG2-O 3.29Å; L159-C163 PolarHBondContact O-N 3.09Å; L159-C163 VanDerWaalsContact O-N 3.11Å; L159-C163 PolarHBondContact O-SG 3.17Å; L160-C163 WeakPolarHBondContact O-CA 3.26Å; L160-C163 WeakPolarHBondContact O-CB 3.35Å; L160-C163 PolarHBondContact O-N 3.04Å; R161-C163 VanDerWaalsContact C-N 3.32Å; R161-C163 PolarHBondContact O-N 3.44Å; C163-E166 WeakPolarHBondContact O-CB 3.34Å; C163-E166 PolarHBondContact O-N 3.28Å; C163-L167 PolarHBondContact O-N 3.48Å; C163-L167 VanDerWaalsContact O-N 3.15Å |
| 164 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69 | -35.4 | -179 | -58.2 | -179.2 | 0 | 0 | 0 | 112.6 | Y3 L160 R161 E166 L167 Q168 F178 I194 F196 | Y3-L164 HydrophobicContact CD1-CD2 4.3Å; Y3-L164 HydrophobicContact CE1-CD2 3.8Å; L160-L164 HydrophobicContact CD1-CD1 4.03Å; L160-L164 HydrophobicContact CD1-CD2 4.17Å; L160-L164 HydrophobicContact CD1-CG 3.94Å; L160-L164 HydrophobicContact CG-CD1 4.03Å; L160-L164 HydrophobicContact CG-CG 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.01Å; L160-L164 PolarHBondContact O-N 3.4Å; R161-L164 PolarHBondContact O-N 3.29Å; R161-L164 VanDerWaalsContact O-N 3.17Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-L167 HydrophobicContact CD2-CD1 4.13Å; L164-L167 WeakPolarHBondContact O-CB 3.34Å; L164-L167 PolarHBondContact O-N 2.83Å; L164-Q168 WeakPolarHBondContact O-CG 3.14Å; L164-Q168 PolarHBondContact O-N 3.48Å; L164-Q168 PolarHBondContact O-NE2 3.44Å; L164-F178 HydrophobicContact CB-CD2 4.46Å; L164-F178 HydrophobicContact CB-CE2 4.29Å; L164-F178 HydrophobicContact CD1-CB 3.99Å; L164-F178 HydrophobicContact CD1-CD1 4.43Å; L164-F178 HydrophobicContact CD1-CD2 3.74Å; L164-F178 HydrophobicContact CD1-CE2 4.36Å; L164-F178 HydrophobicContact CD1-CG 3.79Å; L164-F178 HydrophobicContact CD2-CD1 3.64Å; L164-F178 HydrophobicContact CD2-CD2 4Å; L164-F178 HydrophobicContact CD2-CE1 3.64Å; L164-F178 HydrophobicContact CD2-CE2 3.99Å; L164-F178 HydrophobicContact CD2-CG 3.84Å; L164-F178 HydrophobicContact CD2-CZ 3.82Å; L164-F178 HydrophobicContact CG-CD2 4.27Å; L164-F178 HydrophobicContact CG-CE2 4.43Å; L164-F178 HydrophobicContact CG-CG 4.39Å; L164-I194 HydrophobicContact CD1-CB 3.83Å; L164-I194 HydrophobicContact CD1-CD1 3.78Å; L164-I194 HydrophobicContact CD1-CG1 4.4Å; L164-I194 HydrophobicContact CD1-CG2 3.75Å; L164-F196 HydrophobicContact CB-CE2 3.65Å; L164-F196 HydrophobicContact CB-CZ 3.72Å |
| 165 | E | 97.5 | Very high | 97.3 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 44% | 0.439 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 170.8 | -76.3 | 172.3 | -171.6 | 0 | 0 | 112.1 | R161 L167 Q168 K169 F196 | R161-E165 HydrophobicContact CG-CG 4.44Å; R161-E165 WeakPolarHBondContact CG-OE1 3.43Å; R161-E165 WeakPolarHBondContact O-CB 3.46Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.47Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-L167 PolarHBondContact O-N 3.31Å; E165-Q168 PolarHBondContact O-N 2.99Å; E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 PolarHBondContact O-N 3Å; E165-F196 HydrophobicContact CG-CE1 3.59Å; E165-F196 HydrophobicContact CG-CZ 3.98Å |
| 166 | E | 98.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 52 Ų | 52 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 175 | -173.5 | 62.3 | -145.5 | 0 | 0 | 111.2 | L138 I142 K162 C163 L164 K169 R170 | L138-E166 HydrophobicContact CB-CG 4.27Å; I142-E166 HydrophobicContact CD1-CB 3.47Å; I142-E166 VanDerWaalsContact CD1-CB 3.47Å; I142-E166 HydrophobicContact CD1-CG 3.67Å; K162-E166 PolarHBondContact O-N 3.23Å; K162-E166 VanDerWaalsContact O-N 3.08Å; C163-E166 WeakPolarHBondContact O-CB 3.34Å; C163-E166 PolarHBondContact O-N 3.28Å; L164-E166 VanDerWaalsContact C-N 3.34Å; E166-K169 PolarHBondContact O-N 2.77Å; E166-R170 VanDerWaalsContact CD-CZ 3.48Å; E166-R170 PolarHBondContact O-N 3.1Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.44Å; E166-R170 VanDerWaalsContact OE1-CG 3.25Å; E166-R170 WeakPolarHBondContact OE1-CG 3.24Å; E166-R170 IonicContact OE1-CZ 2.97Å; E166-R170 IonicContact OE1-NE 3.15Å; E166-R170 PolarHBondContact OE1-NE 2.76Å; E166-R170 VanDerWaalsContact OE1-NE 3.15Å; E166-R170 IonicContact OE1-NH1 2.97Å; E166-R170 PolarHBondContact OE1-NH1 2.73Å; E166-R170 IonicContact OE1-NH2 3.21Å; E166-R170 IonicContact OE2-CZ 3.21Å; E166-R170 IonicContact OE2-NH1 2.64Å; E166-R170 PolarHBondContact OE2-NH1 2.95Å; E166-R170 IonicContact OE2-NH2 3.61Å; E166-R170 PolarHBondContact OE2-NH2 2.97Å |
| 167 | L | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 173 | -60.8 | -178.1 | 0 | 0 | 0 | 111.1 | Y3 G135 L138 T139 C163 L164 E165 K169 R170 F171 F178 | Y3-L167 HydrophobicContact CD1-CD1 3.6Å; Y3-L167 HydrophobicContact CD2-CD1 4.21Å; Y3-L167 HydrophobicContact CE1-CD1 3.55Å; Y3-L167 HydrophobicContact CE2-CD1 4.17Å; Y3-L167 HydrophobicContact CG-CD1 3.91Å; G135-L167 VanDerWaalsContact CA-CD2 3.41Å; L138-L167 HydrophobicContact CB-CD2 4.2Å; L138-L167 HydrophobicContact CD1-CD2 4.22Å; T139-L167 HydrophobicContact CG2-CD1 4.47Å; T139-L167 HydrophobicContact CG2-CD2 3.74Å; T139-L167 HydrophobicContact CG2-CG 3.91Å; C163-L167 PolarHBondContact O-N 3.48Å; C163-L167 VanDerWaalsContact O-N 3.15Å; L164-L167 HydrophobicContact CD2-CD1 4.13Å; L164-L167 WeakPolarHBondContact O-CB 3.34Å; L164-L167 PolarHBondContact O-N 2.83Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-L167 PolarHBondContact O-N 3.31Å; L167-K169 PolarHBondContact O-N 3.45Å; L167-K169 VanDerWaalsContact O-N 3.17Å; L167-R170 PolarHBondContact O-N 2.81Å; L167-F171 HydrophobicContact CB-CB 4.22Å; L167-F171 HydrophobicContact CD2-CB 4.23Å; L167-F171 HydrophobicContact CD2-CG 4.41Å; L167-F171 WeakPolarHBondContact O-CA 3.49Å; L167-F171 WeakPolarHBondContact O-CB 3.25Å; L167-F171 PolarHBondContact O-N 2.92Å; L167-F178 HydrophobicContact CD1-CE1 4.23Å; L167-F178 HydrophobicContact CD1-CZ 4.11Å |
| 168 | Q | 96.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 51.6 Ų | 51.6 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -30.5 | 179.3 | -59.7 | -39.7 | -65.9 | 0 | 0 | 113.4 | L164 E165 L175 F196 Q199 | L164-Q168 WeakPolarHBondContact O-CG 3.14Å; L164-Q168 PolarHBondContact O-N 3.48Å; L164-Q168 PolarHBondContact O-NE2 3.44Å; E165-Q168 PolarHBondContact O-N 2.99Å; Q168-L175 PolarHBondContact NE2-O 2.91Å; Q168-L175 PolarHBondContact OE1-O 3.48Å; Q168-F196 HydrophobicContact CG-CB 3.94Å; Q168-F196 HydrophobicContact CG-CD1 3.81Å; Q168-F196 HydrophobicContact CG-CD2 3.47Å; Q168-F196 VanDerWaalsContact CG-CD2 3.47Å; Q168-F196 HydrophobicContact CG-CE1 4.17Å; Q168-F196 HydrophobicContact CG-CE2 3.86Å; Q168-F196 HydrophobicContact CG-CG 3.44Å; Q168-F196 VanDerWaalsContact CG-CG 3.44Å; Q168-F196 HydrophobicContact CG-CZ 4.19Å; Q168-Q199 PolarHBondContact O-NE2 3.43Å; Q168-Q199 VanDerWaalsContact O-NE2 3.17Å |
| 169 | K | 96.2 | Very high | 97.1 | Very high | 151 Ų | 151 | 48 Ų | 48 | 66% | 0.657 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -90 | -30.7 | -174.2 | -173.6 | 168.7 | 151.2 | 70.5 | 0 | 113.2 | E165 E166 L167 | E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 PolarHBondContact O-N 3Å; E166-K169 PolarHBondContact O-N 2.77Å; L167-K169 PolarHBondContact O-N 3.45Å; L167-K169 VanDerWaalsContact O-N 3.17Å |
| 170 | R | 96.8 | Very high | 97.1 | Very high | 127 Ų | 127 | 48 Ų | 48 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -124.2 | -23.4 | -171.2 | -85.6 | 56 | 151.1 | -123.4 | -8.4 | 114.1 | L138 E166 L167 | L138-R170 HydrophobicContact CD1-CB 4.07Å; L138-R170 HydrophobicContact CD2-CB 4.41Å; E166-R170 VanDerWaalsContact CD-CZ 3.48Å; E166-R170 PolarHBondContact O-N 3.1Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.44Å; E166-R170 VanDerWaalsContact OE1-CG 3.25Å; E166-R170 WeakPolarHBondContact OE1-CG 3.24Å; E166-R170 IonicContact OE1-CZ 2.97Å; E166-R170 IonicContact OE1-NE 3.15Å; E166-R170 PolarHBondContact OE1-NE 2.76Å; E166-R170 VanDerWaalsContact OE1-NE 3.15Å; E166-R170 IonicContact OE1-NH1 2.97Å; E166-R170 PolarHBondContact OE1-NH1 2.73Å; E166-R170 IonicContact OE1-NH2 3.21Å; E166-R170 IonicContact OE2-CZ 3.21Å; E166-R170 IonicContact OE2-NH1 2.64Å; E166-R170 PolarHBondContact OE2-NH1 2.95Å; E166-R170 IonicContact OE2-NH2 3.61Å; E166-R170 PolarHBondContact OE2-NH2 2.97Å; L167-R170 PolarHBondContact O-N 2.81Å |
| 171 | F | 96.7 | Very high | 97.1 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | trans | -78.5 | 133.1 | -177.1 | -164.7 | -134.8 | 0 | 0 | 0 | 110.3 | M1 L138 L167 L173 L175 | M1-F171 HydrophobicContact CG-CZ 4.44Å; L138-F171 HydrophobicContact CD1-CB 3.71Å; L138-F171 HydrophobicContact CD1-CD2 3.91Å; L138-F171 HydrophobicContact CD1-CG 4.2Å; L167-F171 HydrophobicContact CB-CB 4.22Å; L167-F171 HydrophobicContact CD2-CB 4.23Å; L167-F171 HydrophobicContact CD2-CG 4.41Å; L167-F171 WeakPolarHBondContact O-CA 3.49Å; L167-F171 WeakPolarHBondContact O-CB 3.25Å; L167-F171 PolarHBondContact O-N 2.92Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 HydrophobicContact CD1-CB 3.99Å; F171-L173 HydrophobicContact CE1-CB 3.64Å; F171-L173 HydrophobicContact CE1-CD1 3.91Å; F171-L173 HydrophobicContact CE1-CG 3.96Å; F171-L173 HydrophobicContact CZ-CB 4.2Å; F171-L173 HydrophobicContact CZ-CD1 3.79Å; F171-L173 HydrophobicContact CZ-CG 3.98Å; F171-L173 PolarHBondContact O-N 3.32Å; F171-L175 HydrophobicContact CD1-CD1 4.04Å; F171-L175 HydrophobicContact CD1-CG 4.49Å; F171-L175 HydrophobicContact CE1-CD1 3.8Å; F171-L175 HydrophobicContact CE1-CG 4.41Å | ||
| 172 | I | 95.9 | Very high | 97.1 | Very high | 159 Ų | 159 | 46.1 Ų | 46.1 | 82% | 0.815 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -72.3 | -20.1 | -173.7 | -167.1 | 59.3 | 0 | 0 | 0 | 113.4 | ||
| 173 | L | 94.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 42.7 Ų | 42.7 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -93.6 | 141.3 | -179.8 | -55.9 | -178.3 | 0 | 0 | 0 | 111.2 | M1 F171 L175 | M1-L173 HydrophobicContact CB-CD1 3.6Å; M1-L173 HydrophobicContact CG-CD1 4.39Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 HydrophobicContact CD1-CB 3.99Å; F171-L173 HydrophobicContact CE1-CB 3.64Å; F171-L173 HydrophobicContact CE1-CD1 3.91Å; F171-L173 HydrophobicContact CE1-CG 3.96Å; F171-L173 HydrophobicContact CZ-CB 4.2Å; F171-L173 HydrophobicContact CZ-CD1 3.79Å; F171-L173 HydrophobicContact CZ-CG 3.98Å; F171-L173 PolarHBondContact O-N 3.32Å; L173-L175 PolarHBondContact O-N 3.48Å |
| 174 | N | 93.6 | Very high | 97.1 | Very high | 93 Ų | 93 | 42.9 Ų | 42.9 | 50% | 0.497 | 20% | 0.203 | S | C | . | . | trans | -76.6 | 105.1 | 176.6 | -176.9 | 18.5 | 0 | 0 | 0 | 111.1 | ||||
| 175 | L | 96.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -122.6 | 81.3 | 174.8 | -62 | -177.2 | 0 | 0 | 0 | 109.5 | D18 V20 Q168 F171 L173 F178 | D18-L175 HydrophobicContact CB-CB 4.46Å; D18-L175 HydrophobicContact CB-CD1 4.06Å; D18-L175 HydrophobicContact CB-CD2 4.02Å; D18-L175 HydrophobicContact CB-CG 4.42Å; V20-L175 HydrophobicContact CB-CD2 3.95Å; V20-L175 HydrophobicContact CG2-CD2 3.81Å; Q168-L175 PolarHBondContact NE2-O 2.91Å; Q168-L175 PolarHBondContact OE1-O 3.48Å; F171-L175 HydrophobicContact CD1-CD1 4.04Å; F171-L175 HydrophobicContact CD1-CG 4.49Å; F171-L175 HydrophobicContact CE1-CD1 3.8Å; F171-L175 HydrophobicContact CE1-CG 4.41Å; L173-L175 PolarHBondContact O-N 3.48Å; L175-F178 HydrophobicContact CB-CE1 4.27Å; L175-F178 HydrophobicContact CB-CE2 4.48Å; L175-F178 HydrophobicContact CB-CZ 3.7Å; L175-F178 HydrophobicContact CD1-CE1 4.47Å; L175-F178 WeakPolarHBondContact O-CE2 3.29Å; L175-F178 VanDerWaalsContact O-CZ 3.32Å; L175-F178 WeakPolarHBondContact O-CZ 3.26Å | ||
| 176 | P | 94.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | trans | -80.7 | -22.7 | -167.4 | 30.4 | -35.1 | 0 | 0 | 0 | 114.1 | S195 F196 | P176-S195 CarbonylContact O-C 3.13Å; P176-S195 WeakPolarHBondContact O-CA 3.44Å; P176-F196 PolarHBondContact O-N 3.34Å | ||
| 177 | T | 97.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 48.3 Ų | 48.3 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 144.4 | -172.3 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | R19 D30 I194 S195 | R19-T177 PolarHBondContact N-O 3.45Å; D30-T177 PolarHBondContact O-OG1 3.06Å; T177-I194 WeakPolarHBondContact CA-O 3.25Å; T177-S195 WeakPolarHBondContact CG2-OG 3.23Å |
| 178 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.8 | -176.9 | -59.5 | -95.5 | 0 | 0 | 0 | 110.6 | Y3 S17 D18 L164 L167 L175 N193 I194 F196 | Y3-F178 HydrophobicContact CD1-CD1 4.31Å; Y3-F178 AromaticContact CD1-CE1 3.83Å; Y3-F178 HydrophobicContact CD1-CE1 3.83Å; S17-F178 CarbonylContact O-C 3.56Å; S17-F178 VanDerWaalsContact O-CA 3.28Å; S17-F178 WeakPolarHBondContact O-CA 3.34Å; D18-F178 VanDerWaalsContact CA-CD1 3.46Å; D18-F178 HydrophobicContact CB-CD1 3.83Å; D18-F178 HydrophobicContact CB-CE1 3.64Å; L164-F178 HydrophobicContact CB-CD2 4.46Å; L164-F178 HydrophobicContact CB-CE2 4.29Å; L164-F178 HydrophobicContact CD1-CB 3.99Å; L164-F178 HydrophobicContact CD1-CD1 4.43Å; L164-F178 HydrophobicContact CD1-CD2 3.74Å; L164-F178 HydrophobicContact CD1-CE2 4.36Å; L164-F178 HydrophobicContact CD1-CG 3.79Å; L164-F178 HydrophobicContact CD2-CD1 3.64Å; L164-F178 HydrophobicContact CD2-CD2 4Å; L164-F178 HydrophobicContact CD2-CE1 3.64Å; L164-F178 HydrophobicContact CD2-CE2 3.99Å; L164-F178 HydrophobicContact CD2-CG 3.84Å; L164-F178 HydrophobicContact CD2-CZ 3.82Å; L164-F178 HydrophobicContact CG-CD2 4.27Å; L164-F178 HydrophobicContact CG-CE2 4.43Å; L164-F178 HydrophobicContact CG-CG 4.39Å; L167-F178 HydrophobicContact CD1-CE1 4.23Å; L167-F178 HydrophobicContact CD1-CZ 4.11Å; L175-F178 HydrophobicContact CB-CE1 4.27Å; L175-F178 HydrophobicContact CB-CE2 4.48Å; L175-F178 HydrophobicContact CB-CZ 3.7Å; L175-F178 HydrophobicContact CD1-CE1 4.47Å; L175-F178 WeakPolarHBondContact O-CE2 3.29Å; L175-F178 VanDerWaalsContact O-CZ 3.32Å; L175-F178 WeakPolarHBondContact O-CZ 3.26Å; F178-N193 VanDerWaalsContact O-CA 3.26Å; F178-N193 WeakPolarHBondContact O-CA 3.4Å; F178-N193 WeakPolarHBondContact O-CB 3.27Å; F178-N193 PolarHBondContact O-OD1 2.88Å; F178-I194 PolarHBondContact N-O 2.91Å; F178-I194 PolarHBondContact O-N 3.05Å; F178-I194 VanDerWaalsContact O-N 3.12Å; F178-F196 HydrophobicContact CD2-CE2 4.32Å; F178-F196 HydrophobicContact CE2-CD2 4.32Å; F178-F196 HydrophobicContact CE2-CE2 4.11Å |
| 179 | S | 98.5 | Very high | 97.2 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.1 | 168.5 | -67.5 | 0 | 0 | 0 | 0 | 109.2 | A16 S17 R19 M35 N193 | A16-S179 CarbonylContact C-O 3.57Å; A16-S179 WeakPolarHBondContact CA-O 3.42Å; A16-S179 WeakPolarHBondContact CB-O 3.44Å; S17-S179 PolarHBondContact N-O 3.21Å; S17-S179 PolarHBondContact O-N 3.14Å; R19-S179 WeakPolarHBondContact CD-OG 3.41Å; R19-S179 WeakPolarHBondContact CG-OG 3.38Å; R19-S179 PolarHBondContact NE-OG 3.42Å; M35-S179 VanDerWaalsContact CE-O 3.3Å; M35-S179 WeakPolarHBondContact CE-O 3.4Å; S179-N193 WeakPolarHBondContact CA-OD1 3.42Å |
| 180 | V | 98.7 | Very high | 97.3 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.4 | -177 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | L14 V15 A16 L160 L191 I194 | L14-V180 HydrophobicContact CD1-CG1 3.64Å; V15-V180 WeakPolarHBondContact O-CA 3.37Å; A16-V180 HydrophobicContact CB-CG2 4.1Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 4.09Å; V180-L191 HydrophobicContact CB-CB 4.2Å; V180-L191 HydrophobicContact CG1-CB 4.2Å; V180-L191 HydrophobicContact CG1-CD1 4.02Å; V180-L191 PolarHBondContact O-N 2.89Å; V180-I194 HydrophobicContact CG2-CB 4.48Å; V180-I194 HydrophobicContact CG2-CD1 3.98Å; V180-I194 HydrophobicContact CG2-CG1 3.96Å |
| 181 | R | 98.7 | Very high | 97.3 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150 | 177.5 | -62.5 | -174.2 | 171.7 | 101 | -0.5 | 110.7 | V15 D33 M35 L43 H189 D190 | V15-R181 HydrophobicContact CG2-CB 4Å; V15-R181 PolarHBondContact N-O 3.44Å; V15-R181 PolarHBondContact O-N 2.85Å; D33-R181 IonicContact OD1-CZ 3.71Å; D33-R181 IonicContact OD1-NH1 3.4Å; D33-R181 PolarHBondContact OD1-NH1 2.62Å; D33-R181 IonicContact OD1-NH2 2.73Å; D33-R181 IonicContact OD2-CZ 3.76Å; D33-R181 VanDerWaalsContact OD2-CZ 3.27Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.26Å; D33-R181 IonicContact OD2-NH2 2.9Å; D33-R181 PolarHBondContact OD2-NH2 3.32Å; M35-R181 VanDerWaalsContact CB-NH1 3.28Å; M35-R181 HydrophobicContact SD-CB 4.25Å; M35-R181 HydrophobicContact SD-CG 3.95Å; M35-R181 PolarHBondContact SD-NH1 3.5Å; L43-R181 HydrophobicContact CD1-CB 3.88Å; L43-R181 HydrophobicContact CD1-CG 4.38Å; R181-H189 WeakPolarHBondContact CA-O 3.36Å; R181-D190 WeakPolarHBondContact CD-OD1 3.32Å; R181-D190 WeakPolarHBondContact CG-OD1 3.43Å; R181-D190 IonicContact CZ-OD1 2.7Å; R181-D190 IonicContact NE-OD1 3.88Å; R181-D190 PolarHBondContact NE-OD1 3.5Å; R181-D190 IonicContact NH2-OD1 2.95Å |
| 182 | I | 98.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.8 | 172.9 | -169.9 | 167.8 | 0 | 0 | 0 | 109.7 | Y12 V13 L14 R153 H189 L191 | Y12-I182 HydrophobicContact CD2-CD1 3.59Å; Y12-I182 HydrophobicContact CD2-CG1 3.91Å; Y12-I182 HydrophobicContact CE2-CD1 4.34Å; Y12-I182 HydrophobicContact CG-CD1 3.84Å; Y12-I182 HydrophobicContact CG-CG1 4.23Å; V13-I182 WeakPolarHBondContact O-CA 3.42Å; L14-I182 HydrophobicContact CD1-CB 4.42Å; R153-I182 HydrophobicContact CB-CD1 4.16Å; R153-I182 HydrophobicContact CG-CD1 3.77Å; I182-H189 HydrophobicContact CG2-CB 3.77Å; I182-H189 PolarHBondContact N-O 3.46Å; I182-H189 PolarHBondContact O-N 2.96Å; I182-L191 HydrophobicContact CB-CD1 4.26Å; I182-L191 HydrophobicContact CG2-CD1 4.19Å; I182-L191 HydrophobicContact CG2-CD2 4.1Å; I182-L191 HydrophobicContact CG2-CG 4.14Å |
| 183 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.3 | 177.4 | -44.2 | 177.2 | 0 | 0 | 0 | 108 | Y12 V13 K41 L43 A105 G187 I188 | Y12-I183 CarbonylContact C-O 3.58Å; Y12-I183 WeakPolarHBondContact CA-O 3.48Å; Y12-I183 WeakPolarHBondContact CB-O 3.39Å; V13-I183 PolarHBondContact N-O 3.17Å; V13-I183 PolarHBondContact O-N 3.06Å; K41-I183 WeakPolarHBondContact O-CG2 3.38Å; L43-I183 HydrophobicContact CB-CD1 3.75Å; L43-I183 HydrophobicContact CD1-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CG1 3.93Å; L43-I183 HydrophobicContact CG-CD1 3.75Å; L43-I183 HydrophobicContact CG-CG1 4.27Å; A105-I183 HydrophobicContact CB-CD1 3.56Å; A105-I183 WeakPolarHBondContact O-CD1 3.42Å; I183-G187 WeakPolarHBondContact CA-O 3.36Å; I183-I188 HydrophobicContact CG1-CG1 4.2Å; I183-I188 HydrophobicContact CG2-CG1 4.21Å |
| 184 | D | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | -169.8 | 175.1 | 71.1 | 13.8 | 0 | 0 | 0 | 111.7 | Y107 R153 N186 G187 H189 | Y107-D184 VanDerWaalsContact CG-C 3.49Å; R153-D184 IonicContact CZ-OD2 3.68Å; R153-D184 IonicContact NH1-OD2 2.67Å; R153-D184 PolarHBondContact NH1-OD2 2.72Å; R153-D184 IonicContact NH2-OD2 2.74Å; R153-D184 PolarHBondContact NH2-OD2 3.23Å; D184-N186 PolarHBondContact O-N 3.08Å; D184-N186 VanDerWaalsContact O-N 3.1Å; D184-N186 WeakPolarHBondContact OD1-CA 3.44Å; D184-N186 VanDerWaalsContact OD1-CB 3.29Å; D184-N186 WeakPolarHBondContact OD1-CB 3.29Å; D184-N186 PolarHBondContact OD1-N 2.84Å; D184-G187 PolarHBondContact N-O 3.28Å; D184-G187 PolarHBondContact O-N 2.74Å; D184-G187 PolarHBondContact OD1-N 3.04Å; D184-H189 IonicContact OD1-CD2 3.88Å; D184-H189 IonicContact OD1-CE1 2.63Å; D184-H189 IonicContact OD1-NE2 3.27Å; D184-H189 PolarHBondContact OD1-NE2 3.31Å; D184-H189 IonicContact OD2-CD2 2.9Å; D184-H189 IonicContact OD2-NE2 3.04Å |
| 185 | K | 97.7 | Very high | 97.6 | Very high | 128 Ų | 128 | 44.3 Ų | 44.3 | 56% | 0.557 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.6 | 177.8 | 66.8 | 179.3 | 177.1 | 178.4 | 0 | 114.8 | K41 Y107 | K41-K185 VanDerWaalsContact CE-O 3.29Å; K41-K185 WeakPolarHBondContact CE-O 3.16Å; K41-K185 PolarHBondContact NZ-O 2.86Å; Y107-K185 HydrophobicContact CD1-CB 4.08Å; Y107-K185 VanDerWaalsContact CE1-CA 3.43Å; Y107-K185 HydrophobicContact CE1-CB 3.45Å; Y107-K185 VanDerWaalsContact CE1-CB 3.45Å; Y107-K185 HydrophobicContact CE2-CB 4.36Å |
| 186 | N | 97.6 | Very high | 97.4 | Very high | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.7 | -178.5 | -55.8 | -43.3 | 0 | 0 | 0 | 112.5 | D184 | D184-N186 PolarHBondContact O-N 3.08Å; D184-N186 VanDerWaalsContact O-N 3.1Å; D184-N186 WeakPolarHBondContact OD1-CA 3.44Å; D184-N186 VanDerWaalsContact OD1-CB 3.29Å; D184-N186 WeakPolarHBondContact OD1-CB 3.29Å; D184-N186 PolarHBondContact OD1-N 2.84Å |
| 187 | G | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.6 | -151.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E40 I183 D184 H189 | E40-G187 WeakPolarHBondContact O-CA 3.5Å; I183-G187 WeakPolarHBondContact CA-O 3.36Å; D184-G187 PolarHBondContact N-O 3.28Å; D184-G187 PolarHBondContact O-N 2.74Å; D184-G187 PolarHBondContact OD1-N 3.04Å; G187-H189 PolarHBondContact O-CD2 3.45Å; G187-H189 PolarHBondContact O-NE2 3Å |
| 188 | I | 98.5 | Very high | 95 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 21% | 0.205 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.8 | -177 | -63.7 | 155.8 | 0 | 0 | 0 | 109.1 | K37 E40 L43 I183 | K37-I188 HydrophobicContact CD-CD1 4.13Å; K37-I188 HydrophobicContact CG-CD1 3.77Å; E40-I188 PolarHBondContact O-N 3.38Å; L43-I188 HydrophobicContact CD1-CG1 4.36Å; L43-I188 HydrophobicContact CD1-CG2 3.8Å; L43-I188 HydrophobicContact CD2-CD1 3.65Å; L43-I188 HydrophobicContact CD2-CG1 4.3Å; L43-I188 HydrophobicContact CD2-CG2 4.16Å; L43-I188 HydrophobicContact CG-CD1 3.74Å; L43-I188 HydrophobicContact CG-CG1 3.96Å; L43-I188 HydrophobicContact CG-CG2 4.14Å; I183-I188 HydrophobicContact CG1-CG1 4.2Å; I183-I188 HydrophobicContact CG2-CG1 4.21Å |
| 189 | H | 98.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.1 | 178.5 | -44.8 | -87.6 | 0 | 0 | 0 | 109.9 | R181 I182 D184 G187 | R181-H189 WeakPolarHBondContact CA-O 3.36Å; I182-H189 HydrophobicContact CG2-CB 3.77Å; I182-H189 PolarHBondContact N-O 3.46Å; I182-H189 PolarHBondContact O-N 2.96Å; D184-H189 IonicContact OD1-CD2 3.88Å; D184-H189 IonicContact OD1-CE1 2.63Å; D184-H189 IonicContact OD1-NE2 3.27Å; D184-H189 PolarHBondContact OD1-NE2 3.31Å; D184-H189 IonicContact OD2-CD2 2.9Å; D184-H189 IonicContact OD2-NE2 3.04Å; G187-H189 PolarHBondContact O-CD2 3.45Å; G187-H189 PolarHBondContact O-NE2 3Å |
| 190 | D | 97.9 | Very high | 90.6 | Very high | 116 Ų | 116 | 67 Ų | 67 | 62% | 0.62 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.9 | 171.4 | -67.9 | -28.8 | 0 | 0 | 0 | 109.3 | R181 | R181-D190 WeakPolarHBondContact CD-OD1 3.32Å; R181-D190 WeakPolarHBondContact CG-OD1 3.43Å; R181-D190 IonicContact CZ-OD1 2.7Å; R181-D190 IonicContact NE-OD1 3.88Å; R181-D190 PolarHBondContact NE-OD1 3.5Å; R181-D190 IonicContact NH2-OD1 2.95Å |
| 191 | L | 97.3 | Very high | 87.6 | Confident | 64 Ų | 64 | 74.8 Ų | 74.8 | 34% | 0.335 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 165 | 171.1 | -59.7 | -176.7 | 0 | 0 | 0 | 109.6 | L14 V157 V180 I182 N193 | L14-L191 HydrophobicContact CD1-CD1 3.97Å; V157-L191 HydrophobicContact CG2-CD1 4.17Å; V180-L191 HydrophobicContact CB-CB 4.2Å; V180-L191 HydrophobicContact CG1-CB 4.2Å; V180-L191 HydrophobicContact CG1-CD1 4.02Å; V180-L191 PolarHBondContact O-N 2.89Å; I182-L191 HydrophobicContact CB-CD1 4.26Å; I182-L191 HydrophobicContact CG2-CD1 4.19Å; I182-L191 HydrophobicContact CG2-CD2 4.1Å; I182-L191 HydrophobicContact CG2-CG 4.14Å; L191-N193 PolarHBondContact O-N 2.67Å |
| 192 | D | 96.9 | Very high | 87 | Confident | 152 Ų | 152 | 76.7 Ų | 76.7 | 81% | 0.813 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 137.8 | 174.3 | -70.5 | -30.9 | 0 | 0 | 0 | 111.1 | I194 | D192-I194 PolarHBondContact O-N 2.98Å |
| 193 | N | 97.2 | Very high | 86.4 | Confident | 70 Ų | 70 | 80.3 Ų | 80.3 | 37% | 0.374 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 132.8 | 174.9 | -62.5 | -59.7 | 0 | 0 | 0 | 109.9 | R19 F178 S179 L191 S195 | R19-N193 PolarHBondContact NH1-ND2 3.04Å; F178-N193 VanDerWaalsContact O-CA 3.26Å; F178-N193 WeakPolarHBondContact O-CA 3.4Å; F178-N193 WeakPolarHBondContact O-CB 3.27Å; F178-N193 PolarHBondContact O-OD1 2.88Å; S179-N193 WeakPolarHBondContact CA-OD1 3.42Å; L191-N193 PolarHBondContact O-N 2.67Å; N193-S195 PolarHBondContact O-N 3.46Å |
| 194 | I | 96.4 | Very high | 85.7 | Confident | 8 Ų | 8 | 84.7 Ų | 84.7 | 4% | 0.041 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 117.4 | 170.7 | -63.2 | 171.5 | 0 | 0 | 0 | 107.4 | L160 L164 T177 F178 V180 D192 F196 | L160-I194 HydrophobicContact CD2-CD1 3.83Å; L160-I194 HydrophobicContact CG-CD1 4.03Å; L164-I194 HydrophobicContact CD1-CB 3.83Å; L164-I194 HydrophobicContact CD1-CD1 3.78Å; L164-I194 HydrophobicContact CD1-CG1 4.4Å; L164-I194 HydrophobicContact CD1-CG2 3.75Å; T177-I194 WeakPolarHBondContact CA-O 3.25Å; F178-I194 PolarHBondContact N-O 2.91Å; F178-I194 PolarHBondContact O-N 3.05Å; F178-I194 VanDerWaalsContact O-N 3.12Å; V180-I194 HydrophobicContact CG2-CB 4.48Å; V180-I194 HydrophobicContact CG2-CD1 3.98Å; V180-I194 HydrophobicContact CG2-CG1 3.96Å; D192-I194 PolarHBondContact O-N 2.98Å; I194-F196 HydrophobicContact CG2-CE2 3.77Å; I194-F196 HydrophobicContact CG2-CZ 3.83Å |
| 195 | S | 95.1 | Very high | 85 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.9 | -176.3 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | P176 T177 N193 | P176-S195 CarbonylContact O-C 3.13Å; P176-S195 WeakPolarHBondContact O-CA 3.44Å; T177-S195 WeakPolarHBondContact CG2-OG 3.23Å; N193-S195 PolarHBondContact O-N 3.46Å |
| 196 | F | 92.5 | Very high | 84.2 | Confident | 37 Ų | 37 | 87.1 Ų | 87.1 | 16% | 0.162 | 51% | 0.506 | C | S | . | . | trans | -115.1 | 146.8 | 175 | -60.9 | -83.7 | 0 | 0 | 0 | 109.8 | L164 E165 Q168 P176 F178 I194 K198 | L164-F196 HydrophobicContact CB-CE2 3.65Å; L164-F196 HydrophobicContact CB-CZ 3.72Å; E165-F196 HydrophobicContact CG-CE1 3.59Å; E165-F196 HydrophobicContact CG-CZ 3.98Å; Q168-F196 HydrophobicContact CG-CB 3.94Å; Q168-F196 HydrophobicContact CG-CD1 3.81Å; Q168-F196 HydrophobicContact CG-CD2 3.47Å; Q168-F196 VanDerWaalsContact CG-CD2 3.47Å; Q168-F196 HydrophobicContact CG-CE1 4.17Å; Q168-F196 HydrophobicContact CG-CE2 3.86Å; Q168-F196 HydrophobicContact CG-CG 3.44Å; Q168-F196 VanDerWaalsContact CG-CG 3.44Å; Q168-F196 HydrophobicContact CG-CZ 4.19Å; P176-F196 PolarHBondContact O-N 3.34Å; F178-F196 HydrophobicContact CD2-CE2 4.32Å; F178-F196 HydrophobicContact CE2-CD2 4.32Å; F178-F196 HydrophobicContact CE2-CE2 4.11Å; I194-F196 HydrophobicContact CG2-CE2 3.77Å; I194-F196 HydrophobicContact CG2-CZ 3.83Å; F196-K198 PolarHBondContact O-N 2.85Å | ||
| 197 | P | 78.8 | Confident | 83.3 | Confident | 113 Ų | 113 | 85.2 Ų | 85.2 | 73% | 0.734 | 50% | 0.498 | S | S | * | . | trans | -59.2 | 136.8 | 173.2 | 23.9 | -31.2 | 0 | 0 | 0 | 109.6 | Q199 | P197-Q199 PolarHBondContact O-N 2.84Å; P197-Q199 VanDerWaalsContact O-N 3.14Å | ||
| 198 | K | 64.3 | Low | 82.3 | Confident | 114 Ų | 114 | 90.9 Ų | 90.9 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | trans | -59.5 | 119.4 | 173.9 | -70.1 | -178.1 | 178.6 | 177.7 | 0 | 107.7 | F196 G200 | F196-K198 PolarHBondContact O-N 2.85Å; K198-G200 PolarHBondContact O-N 3.06Å | ||
| 199 | Q | 53.2 | Low | 81 | Confident | 167 Ų | 167 | 94.8 Ų | 94.8 | 78% | 0.78 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 100.8 | 169.4 | -71.8 | -179.8 | 15.5 | 0 | 0 | 107.3 | Q168 P197 | Q168-Q199 PolarHBondContact O-NE2 3.43Å; Q168-Q199 VanDerWaalsContact O-NE2 3.17Å; P197-Q199 PolarHBondContact O-N 2.84Å; P197-Q199 VanDerWaalsContact O-N 3.14Å |
| 200 | G | 50 | Low | 79.6 | Confident | 83 Ų | 83 | 97.2 Ų | 97.2 | 86% | 0.856 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 135.5 | 14.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | K198 | K198-G200 PolarHBondContact O-N 3.06Š|
| 201 | S | 35.3 | Very low | 77.9 | Confident | 170 Ų | 170 | 95.5 Ų | 95.5 | 100% | 1.189 | 57% | 0.571 | S | S | * | * | trans | -105.4 | 0 | 162 | 61.8 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 201 of 201 residues in 44 ms
(Link to these results)