A0A087YBH9_POEFO Loading...

Actin, alpha, cardiac muscle 2

AlphaFold DB (A0A3P9NLQ2), UniProt , Accession A0A087YBH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 377 aa.

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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
1M38.3Very low67.5Low240 Ų240103.9 Ų103.9100%1.18256%0.555SS**  072.40-76.7177.1168.600107.7
2C34.2Very low70.1Confident118 Ų11895.3 Ų95.380%0.79751%0.509SS*.  trans-107.3118.5140.9-67.50000101.5D4C2-D4 PolarHBondContact O-N 2.98Å
3D38.3Very low72.2Confident152 Ų15288.3 Ų88.381%0.81347%0.472SS*.  trans-64.3113.8166.3-70.5-33.4000104.9E5D3-E5 VanDerWaalsContact C-N 3.31Å; D3-E5 PolarHBondContact O-N 3.45Å
4D47.7Very low73.9Confident156 Ų15682.6 Ų82.683%0.83444%0.441SS*.  trans-57.6105.7160.1-71.9-40.3000104.4C2 E6C2-D4 PolarHBondContact O-N 2.98Å; D4-E6 VanDerWaalsContact C-N 3.32Å; D4-E6 PolarHBondContact O-N 2.88Å
5E48.1Very low75.3Confident180 Ų18077.8 Ų77.884%0.84142%0.419SS*.  trans-57.7103.1172.5-78-174.616100106.4D3 T7D3-E5 VanDerWaalsContact C-N 3.31Å; D3-E5 PolarHBondContact O-N 3.45Å; E5-T7 PolarHBondContact O-N 2.84Å
6E66.3Low76.5Confident141 Ų14173.5 Ų73.566%0.65940%0.397SS*.  trans-60.4100.9-179.1-163.4176.1-170.700107.2D4 T8 Q355D4-E6 VanDerWaalsContact C-N 3.32Å; D4-E6 PolarHBondContact O-N 2.88Å; E6-T8 PolarHBondContact O-N 3.45Å; E6-T8 VanDerWaalsContact O-N 3.13Å; E6-Q355 PolarHBondContact OE1-NE2 3.46Å
7T82.3Confident77.6Confident77 Ų7769.9 Ų69.947%0.47238%0.381SS..PPolyproline II helixtrans-62120.9-17642.20000108.8E5 A9 E102E5-T7 PolarHBondContact O-N 2.84Å; T7-A9 PolarHBondContact O-N 2.83Å; T7-E102 WeakPolarHBondContact CB-O 3.35Å; T7-E102 PolarHBondContact OG1-O 3.1Å
8T93.1Very high78.6Confident69 Ų6970.4 Ų70.442%0.42338%0.383SS..PPolyproline II helixtrans-66.7127.1-172.3-50.80000110.3E6 F23 A24 H103E6-T8 PolarHBondContact O-N 3.45Å; E6-T8 VanDerWaalsContact O-N 3.13Å; T8-F23 HydrophobicContact CG2-CB 3.95Å; T8-F23 HydrophobicContact CG2-CD1 4.26Å; T8-A24 WeakPolarHBondContact CG2-O 3.28Å; T8-H103 PolarHBondContact O-ND1 2.9Å
9A97.2Very high79.7Confident9 Ų966.7 Ų66.77%0.07436%0.362CS..PPolyproline II helixtrans-64.9146.3-18000000112.1T7 A24 P104 A349 W358T7-A9 PolarHBondContact O-N 2.83Å; A9-A24 HydrophobicContact CB-CB 4.06Å; A9-A24 WeakPolarHBondContact O-CB 3.47Å; A9-A24 PolarHBondContact O-N 2.86Å; A9-P104 CarbonylContact C-O 3.51Å; A9-P104 VanDerWaalsContact CA-O 3.23Å; A9-P104 WeakPolarHBondContact CA-O 3.33Å; A9-P104 HydrophobicContact CB-CB 4.12Å; A9-A349 HydrophobicContact CB-CB 4.17Å; A9-W358 HydrophobicContact CB-CH2 3.93Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å
10L98.4Very high80.6Confident0 Ų064.7 Ų64.70%035%0.35CS..EExtended strand (participates in β ladder)trans-86.9145.8169.4-53.5-178.5000109.9G22 F23 F92 L96 V98 H103 P104 T105 L106L10-G22 WeakPolarHBondContact CA-O 2.94Å; L10-F23 HydrophobicContact CD2-CD1 3.64Å; L10-F23 HydrophobicContact CD2-CE1 3.5Å; L10-F23 HydrophobicContact CD2-CG 4.37Å; L10-F23 HydrophobicContact CD2-CZ 4.13Å; L10-F92 HydrophobicContact CD1-CD1 3.68Å; L10-F92 HydrophobicContact CD1-CE1 3.77Å; L10-L96 HydrophobicContact CD2-CD1 4.17Å; L10-V98 HydrophobicContact CD1-CG2 3.82Å; L10-V98 HydrophobicContact CD2-CG2 4.27Å; L10-H103 HydrophobicContact CD1-CB 3.95Å; L10-H103 HydrophobicContact CD2-CB 4.26Å; L10-H103 HydrophobicContact CG-CB 3.7Å; L10-P104 PolarHBondContact N-O 2.89Å; L10-T105 HydrophobicContact CB-CG2 4.41Å; L10-L106 PolarHBondContact O-N 3.14Å
11V98.6Very high81.5Confident1 Ų161.6 Ų61.61%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-122.6118.4172.91800000108.4A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.3Å; V11-A21 WeakPolarHBondContact O-CA 3.23Å; V11-G22 PolarHBondContact N-O 3.2Å; V11-G22 PolarHBondContact O-N 3.48Å; V11-G22 VanDerWaalsContact O-N 3.11Å; V11-A24 HydrophobicContact CG2-CB 4.24Å; V11-L106 HydrophobicContact CG1-CD2 4.18Å; V11-L106 HydrophobicContact CG2-CB 4.43Å; V11-W342 HydrophobicContact CB-CZ2 4.31Å; V11-W342 HydrophobicContact CG1-CG 4.27Å; V11-W342 PolarHBondContact O-NE1 3.38Å; V11-A349 HydrophobicContact CG2-CB 4.15Å
12C98.3Very high84.3Confident1 Ų150.1 Ų50.11%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-122.4105.3-179.3-172.40000110.7L106 L107 T108C12-L106 PolarHBondContact N-O 2.93Å; C12-L107 HydrophobicContact CB-CD2 3.77Å; C12-L107 WeakPolarHBondContact O-CA 3.49Å; C12-T108 PolarHBondContact O-N 2.87Å; C12-T108 VanDerWaalsContact O-N 3.14Å
13D98.2Very high87.4Confident4 Ų445.5 Ų45.52%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-86.8108.9173.8176.235.7000111.1G15 V19 K20 T108 V341 W342D13-G15 PolarHBondContact O-N 3.28Å; D13-G15 VanDerWaalsContact O-N 3.13Å; D13-V19 WeakPolarHBondContact O-CA 3.4Å; D13-K20 HydrophobicContact CB-CB 4.27Å; D13-K20 HydrophobicContact CB-CD 4.34Å; D13-K20 PolarHBondContact N-O 3.2Å; D13-K20 PolarHBondContact O-N 3.19Å; D13-K20 VanDerWaalsContact O-N 3.09Å; D13-K20 WeakPolarHBondContact OD2-CD 3.18Å; D13-K20 IonicContact OD2-NZ 3.92Å; D13-K20 PolarHBondContact OD2-NZ 3.43Å; D13-T108 VanDerWaalsContact CA-OG1 3.3Å; D13-T108 WeakPolarHBondContact CA-OG1 3.34Å; D13-T108 HydrophobicContact CB-CG2 4.08Å; D13-T108 PolarHBondContact OD1-OG1 2.88Å; D13-V341 HydrophobicContact CB-CG1 4.32Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.25Å; D13-W342 HydrophobicContact CB-CB 4.22Å
14N96.2Very high90.2Very high9 Ų938.8 Ų38.85%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-8578.1-175.6-59-56.2000111.2I73 M84 W88 L107 T108 Q139N14-I73 HydrophobicContact CB-CD1 4.27Å; N14-M84 HydrophobicContact CB-CE 4.38Å; N14-M84 WeakPolarHBondContact OD1-CE 3.21Å; N14-W88 PolarHBondContact OD1-NE1 3.3Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.27Å; N14-T108 PolarHBondContact N-OG1 2.8Å; N14-T108 PolarHBondContact ND2-O 2.98Å; N14-Q139 PolarHBondContact O-NE2 2.72Å
15G94.8Very high92.4Very high10 Ų1033.8 Ų33.810%0.10319%0.194CC..  trans-83148.1177.600000113.2D13 G17 L18 S35D13-G15 PolarHBondContact O-N 3.28Å; D13-G15 VanDerWaalsContact O-N 3.13Å; G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 3.31Å; G15-L18 WeakPolarHBondContact CA-O 3.34Å; G15-L18 PolarHBondContact N-O 2.89Å; G15-S35 WeakPolarHBondContact O-CB 3.47Å; G15-S35 PolarHBondContact O-OG 3.26Å
16S94.2Very high94.7Very high9 Ų927.4 Ų27.46%0.06317%0.166CC..SBendtrans-66.1-24.1178.864.50000114.9G160 R185S16-G160 WeakPolarHBondContact OG-CA 3.14Å; S16-G160 PolarHBondContact OG-N 3.43Å; S16-R185 PolarHBondContact O-NH2 3.26Å
17G94.4Very high96.1Very high13 Ų1328 Ų2813%0.13417%0.174CC..SBendtrans-108.3-39.8175.500000113.4G15 P34 S35 D159G15-G17 VanDerWaalsContact C-N 3.26Å; G15-G17 PolarHBondContact O-N 3.31Å; G17-P34 WeakPolarHBondContact O-CA 3.31Å; G17-S35 PolarHBondContact O-N 3.1Å; G17-D159 WeakPolarHBondContact CA-OD2 3.48Å
18L96.9Very high96.7Very high78 Ų7826.7 Ų26.741%0.40817%0.171SC..EExtended strand (participates in β ladder)trans-134.4132.8-177.8-63.5172.3000110.6G15 K20 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.34Å; G15-L18 PolarHBondContact N-O 2.89Å; L18-K20 HydrophobicContact CB-CD 4.43Å; L18-K20 PolarHBondContact O-NZ 3.38Å; L18-V32 HydrophobicContact CB-CG1 4.36Å; L18-V32 HydrophobicContact CD1-CG1 4.07Å; L18-V32 HydrophobicContact CD2-CG1 4.45Å; L18-F33 WeakPolarHBondContact CA-O 3.3Å; L18-P34 HydrophobicContact CD2-CG 4.42Å; L18-S35 VanDerWaalsContact C-OG 3.24Å; L18-S35 WeakPolarHBondContact CA-OG 3.42Å; L18-S35 PolarHBondContact N-OG 3.01Å
19V98Very high96.9Very high0 Ų024.2 Ų24.20%016%0.155CC..EExtended strand (participates in β ladder)trans-83.3141162179.20000108.8D13 V32 F33 S35 I87D13-V19 WeakPolarHBondContact O-CA 3.4Å; V19-V32 WeakPolarHBondContact O-CA 3.35Å; V19-F33 HydrophobicContact CB-CD1 4.46Å; V19-F33 HydrophobicContact CB-CD2 4.43Å; V19-F33 HydrophobicContact CB-CE1 3.95Å; V19-F33 HydrophobicContact CB-CE2 3.91Å; V19-F33 HydrophobicContact CB-CZ 3.65Å; V19-F33 HydrophobicContact CG1-CE1 3.91Å; V19-F33 HydrophobicContact CG1-CE2 4.48Å; V19-F33 HydrophobicContact CG1-CZ 3.74Å; V19-F33 HydrophobicContact CG2-CE2 4.04Å; V19-F33 HydrophobicContact CG2-CZ 4.09Å; V19-F33 PolarHBondContact N-O 3.32Å; V19-F33 PolarHBondContact O-N 2.89Å; V19-F33 VanDerWaalsContact O-N 3.16Å; V19-S35 WeakPolarHBondContact CG2-OG 3.43Å; V19-S35 PolarHBondContact N-OG 3.43Å; V19-I87 HydrophobicContact CG2-CG2 3.62Å
20K98.6Very high97Very high26 Ų2631.2 Ų31.211%0.11318%0.18CC..EExtended strand (participates in β ladder)trans-124.6125.9170-53.775.8157.2-164.30108D13 L18 P29 A31 V32 Y339 W342D13-K20 HydrophobicContact CB-CB 4.27Å; D13-K20 HydrophobicContact CB-CD 4.34Å; D13-K20 PolarHBondContact N-O 3.2Å; D13-K20 PolarHBondContact O-N 3.19Å; D13-K20 VanDerWaalsContact O-N 3.09Å; D13-K20 WeakPolarHBondContact OD2-CD 3.18Å; D13-K20 IonicContact OD2-NZ 3.92Å; D13-K20 PolarHBondContact OD2-NZ 3.43Å; L18-K20 HydrophobicContact CB-CD 4.43Å; L18-K20 PolarHBondContact O-NZ 3.38Å; K20-P29 HydrophobicContact CB-CB 3.76Å; K20-P29 HydrophobicContact CB-CG 4.02Å; K20-P29 HydrophobicContact CG-CG 4.3Å; K20-A31 CarbonylContact C-O 3.6Å; K20-A31 WeakPolarHBondContact CA-O 3.28Å; K20-V32 HydrophobicContact CB-CG2 4.35Å; K20-V32 HydrophobicContact CG-CG1 4.21Å; K20-V32 HydrophobicContact CG-CG2 3.96Å; K20-Y339 HydrophobicContact CG-CD1 4.19Å; K20-Y339 HydrophobicContact CG-CE1 4.38Å; K20-W342 HydrophobicContact CB-CB 4.33Å; K20-W342 HydrophobicContact CB-CG 4.18Å; K20-W342 VanDerWaalsContact O-CD1 3.32Å
21A98.6Very high96.9Very high0 Ų031.4 Ų31.40%018%0.182CC..EExtended strand (participates in β ladder)trans-133.9148.2-175.400000110.7V11 P29 R30 A31 A91 L96V11-A21 VanDerWaalsContact O-CA 3.3Å; V11-A21 WeakPolarHBondContact O-CA 3.23Å; A21-P29 CarbonylContact O-C 3.16Å; A21-R30 PolarHBondContact O-N 3.12Å; A21-A31 HydrophobicContact CB-CB 4.44Å; A21-A31 PolarHBondContact N-O 3.39Å; A21-A31 PolarHBondContact O-N 3.39Å; A21-A91 HydrophobicContact CB-CB 4.39Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.46Å; A21-L96 HydrophobicContact CB-CG 4.35Å
22G98.4Very high96.9Very high0 Ų033.7 Ų33.70%020%0.196CC..EExtended strand (participates in β ladder)trans177.1-166.1178.500000111.3L10 V11L10-G22 WeakPolarHBondContact CA-O 2.94Å; V11-G22 PolarHBondContact N-O 3.2Å; V11-G22 PolarHBondContact O-N 3.48Å; V11-G22 VanDerWaalsContact O-N 3.11Å
23F98.1Very high96.9Very high21 Ų2133.6 Ų33.69%0.09220%0.195CC..EExtended strand (participates in β ladder)trans-103.6145.5-177.6-62.9-96.9000110.1T8 L10 D26 R30 L96 V98T8-F23 HydrophobicContact CG2-CB 3.95Å; T8-F23 HydrophobicContact CG2-CD1 4.26Å; L10-F23 HydrophobicContact CD2-CD1 3.64Å; L10-F23 HydrophobicContact CD2-CE1 3.5Å; L10-F23 HydrophobicContact CD2-CG 4.37Å; L10-F23 HydrophobicContact CD2-CZ 4.13Å; F23-D26 WeakPolarHBondContact O-CB 3.42Å; F23-D26 PolarHBondContact O-N 3.43Å; F23-R30 HydrophobicContact CD2-CG 4.37Å; F23-L96 HydrophobicContact CE2-CD2 4.14Å; F23-V98 HydrophobicContact CE1-CG1 3.94Å; F23-V98 HydrophobicContact CZ-CG1 3.58Å
24A97.3Very high96.8Very high10 Ų1034.4 Ų34.48%0.08320%0.201CC..THydrogen-bonded Turntrans-60138.8171.200000110.3T8 A9 V11 A349T8-A24 WeakPolarHBondContact CG2-O 3.28Å; A9-A24 HydrophobicContact CB-CB 4.06Å; A9-A24 WeakPolarHBondContact O-CB 3.47Å; A9-A24 PolarHBondContact O-N 2.86Å; V11-A24 HydrophobicContact CG2-CB 4.24Å; A24-A349 HydrophobicContact CB-CB 3.67Å
25G95Very high96.9Very high51 Ų5134 Ų3453%0.52620%0.199SC..THydrogen-bonded Turntrans91.4-15.1-17500000114.8S346G25-S346 PolarHBondContact N-O 2.72Å; G25-S346 PolarHBondContact N-OG 3.29Å
26D96.3Very high96.9Very high47 Ų4733.6 Ų33.625%0.25119%0.194SC..  trans-75.3146.1170.7-71.3-19.6000110.4F23 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.42Å; F23-D26 PolarHBondContact O-N 3.43Å; D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 2.62Å; D26-R30 IonicContact OD1-NH2 2.95Å; D26-R30 PolarHBondContact OD1-NH2 3.24Å; D26-R30 WeakPolarHBondContact OD2-CG 3.27Å; D26-R30 IonicContact OD2-CZ 3.41Å; D26-R30 IonicContact OD2-NE 3.69Å; D26-R30 PolarHBondContact OD2-NE 3.05Å; D26-R30 IonicContact OD2-NH2 3.4Å; D26-R30 PolarHBondContact OD2-NH2 3.18Å; D26-R30 VanDerWaalsContact OD2-NH2 3.16Å; D26-W342 HydrophobicContact CB-CH2 3.91Å; D26-W342 WeakPolarHBondContact O-CH2 3.4Å; D26-W342 WeakPolarHBondContact O-CZ3 3.44Å; D26-S346 PolarHBondContact N-OG 3.47Å; D26-S346 PolarHBondContact O-OG 3.41Å
27D94.5Very high97.1Very high153 Ų15333.2 Ų33.282%0.81819%0.191SC*.SBendtrans-77.8-14.5-179-68.7-39.7000114
28A96.1Very high97.2Very high50 Ų5032.6 Ų32.641%0.41319%0.185SC..SBendtrans-151.8153.4-179.100000110.8D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.33Å; D26-A28 PolarHBondContact O-N 2.62Å; A28-R30 PolarHBondContact O-N 3.12Å; A28-W342 WeakPolarHBondContact O-CH2 3.37Å; A28-W342 WeakPolarHBondContact O-CZ3 3.5Å
29P97.8Very high97Very high16 Ų1632.5 Ų32.510%0.10418%0.179CC..  trans-62.3135.6177.426-34.3000110.9K20 A21 A31 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 3.76Å; K20-P29 HydrophobicContact CB-CG 4.02Å; K20-P29 HydrophobicContact CG-CG 4.3Å; A21-P29 CarbonylContact O-C 3.16Å; P29-A31 VanDerWaalsContact C-N 3.33Å; P29-V32 HydrophobicContact CB-CG2 4.08Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; P29-Y339 HydrophobicContact CG-CD1 4.04Å; P29-Y339 HydrophobicContact CG-CD2 4.4Å; P29-Y339 HydrophobicContact CG-CE1 4.29Å; P29-Y339 HydrophobicContact CG-CG 4.12Å; P29-W342 HydrophobicContact CB-CD2 3.7Å; P29-W342 HydrophobicContact CB-CE3 4.17Å; P29-W342 HydrophobicContact CB-CG 3.98Å; P29-W342 HydrophobicContact CB-CZ2 4.37Å; P29-W342 HydrophobicContact CG-CD2 4.27Å; P29-W342 HydrophobicContact CG-CE3 4.4Å; P29-W342 HydrophobicContact CG-CG 4.45Å
30R97.8Very high96.7Very high156 Ų15634.9 Ų34.959%0.58919%0.194SC*.SBendtrans-69.7-32.8175.8-67.9-160-177174.42.9112.6A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 3.12Å; F23-R30 HydrophobicContact CD2-CG 4.37Å; D26-R30 IonicContact OD1-NH2 2.95Å; D26-R30 PolarHBondContact OD1-NH2 3.24Å; D26-R30 WeakPolarHBondContact OD2-CG 3.27Å; D26-R30 IonicContact OD2-CZ 3.41Å; D26-R30 IonicContact OD2-NE 3.69Å; D26-R30 PolarHBondContact OD2-NE 3.05Å; D26-R30 IonicContact OD2-NH2 3.4Å; D26-R30 PolarHBondContact OD2-NH2 3.18Å; D26-R30 VanDerWaalsContact OD2-NH2 3.16Å; A28-R30 PolarHBondContact O-N 3.12Å; R30-L96 HydrophobicContact CB-CD2 4.02Å
31A98.1Very high96.1Very high5 Ų540 Ų404%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-127.9134.2-179.100000110.5K20 A21 P29 F33 E95 L96K20-A31 CarbonylContact C-O 3.6Å; K20-A31 WeakPolarHBondContact CA-O 3.28Å; A21-A31 HydrophobicContact CB-CB 4.44Å; A21-A31 PolarHBondContact N-O 3.39Å; A21-A31 PolarHBondContact O-N 3.39Å; P29-A31 VanDerWaalsContact C-N 3.33Å; A31-F33 HydrophobicContact CB-CD1 4.47Å; A31-E95 HydrophobicContact CB-CB 3.68Å; A31-E95 HydrophobicContact CB-CG 4.13Å; A31-L96 HydrophobicContact CB-CD2 4.48Å
32V98.2Very high95.3Very high48 Ų4846.5 Ų46.529%0.29124%0.243SC..EExtended strand (participates in β ladder)trans-137.7113.9173.1-179.20000107.5L18 V19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.36Å; L18-V32 HydrophobicContact CD1-CG1 4.07Å; L18-V32 HydrophobicContact CD2-CG1 4.45Å; V19-V32 WeakPolarHBondContact O-CA 3.35Å; K20-V32 HydrophobicContact CB-CG2 4.35Å; K20-V32 HydrophobicContact CG-CG1 4.21Å; K20-V32 HydrophobicContact CG-CG2 3.96Å; P29-V32 HydrophobicContact CB-CG2 4.08Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; V32-Y339 HydrophobicContact CG2-CE1 4.07Å
33F98Very high93.9Very high0 Ų055.5 Ų55.50%029%0.285CS..EExtended strand (participates in β ladder)trans-143.2155.8-175.662.9-91000112L18 V19 A31 S35 V56 I87 H90 A91 E95L18-F33 WeakPolarHBondContact CA-O 3.3Å; V19-F33 HydrophobicContact CB-CD1 4.46Å; V19-F33 HydrophobicContact CB-CD2 4.43Å; V19-F33 HydrophobicContact CB-CE1 3.95Å; V19-F33 HydrophobicContact CB-CE2 3.91Å; V19-F33 HydrophobicContact CB-CZ 3.65Å; V19-F33 HydrophobicContact CG1-CE1 3.91Å; V19-F33 HydrophobicContact CG1-CE2 4.48Å; V19-F33 HydrophobicContact CG1-CZ 3.74Å; V19-F33 HydrophobicContact CG2-CE2 4.04Å; V19-F33 HydrophobicContact CG2-CZ 4.09Å; V19-F33 PolarHBondContact N-O 3.32Å; V19-F33 PolarHBondContact O-N 2.89Å; V19-F33 VanDerWaalsContact O-N 3.16Å; A31-F33 HydrophobicContact CB-CD1 4.47Å; F33-S35 PolarHBondContact O-N 3.4Å; F33-V56 HydrophobicContact CE2-CG1 4.26Å; F33-I87 HydrophobicContact CE2-CG2 4.11Å; F33-I87 HydrophobicContact CZ-CG2 4.26Å; F33-H90 AromaticContact CD2-CD2 3.98Å; F33-H90 AromaticContact CE2-CD2 3.75Å; F33-H90 AromaticContact CZ-CD2 3.92Å; F33-A91 HydrophobicContact CE1-CB 4.16Å; F33-A91 HydrophobicContact CZ-CB 4.02Å; F33-E95 HydrophobicContact CD1-CG 3.86Å; F33-E95 HydrophobicContact CE1-CG 3.89Å
34P96.8Very high92.4Very high21 Ų2156.9 Ų56.914%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-59.1133.6177.8-25.935.7000114.1G17 L18 I36 G57 D58G17-P34 WeakPolarHBondContact O-CA 3.31Å; L18-P34 HydrophobicContact CD2-CG 4.42Å; P34-I36 HydrophobicContact CB-CD1 3.97Å; P34-I36 HydrophobicContact CB-CG1 3.94Å; P34-I36 HydrophobicContact CB-CG2 4.38Å; P34-I36 PolarHBondContact O-N 2.79Å; P34-G57 WeakPolarHBondContact O-CA 3.44Å; P34-D58 VanDerWaalsContact CD-OD1 3.25Å; P34-D58 WeakPolarHBondContact CD-OD1 3.35Å
35S96.8Very high90.7Very high1 Ų160.4 Ų60.41%0.00733%0.325CS..SBendtrans-75.962.6176.5-52.20000111.7G15 G17 L18 V19 F33 P72G15-S35 WeakPolarHBondContact O-CB 3.47Å; G15-S35 PolarHBondContact O-OG 3.26Å; G17-S35 PolarHBondContact O-N 3.1Å; L18-S35 VanDerWaalsContact C-OG 3.24Å; L18-S35 WeakPolarHBondContact CA-OG 3.42Å; L18-S35 PolarHBondContact N-OG 3.01Å; V19-S35 WeakPolarHBondContact CG2-OG 3.43Å; V19-S35 PolarHBondContact N-OG 3.43Å; F33-S35 PolarHBondContact O-N 3.4Å; S35-P72 WeakPolarHBondContact O-CD 3.41Å
36I96.3Very high89.1Confident1 Ų160 Ų601%0.00531%0.31CS..  trans-133.3147-174.966-179000112.4P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.97Å; P34-I36 HydrophobicContact CB-CG1 3.94Å; P34-I36 HydrophobicContact CB-CG2 4.38Å; P34-I36 PolarHBondContact O-N 2.79Å; I36-V56 WeakPolarHBondContact O-CA 3.19Å; I36-G57 PolarHBondContact O-N 3.03Å; I36-A60 HydrophobicContact CD1-CB 3.9Å; I36-A60 HydrophobicContact CG1-CB 3.92Å; I36-Q61 HydrophobicContact CD1-CB 3.9Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.25Å; I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-L69 HydrophobicContact CD1-CD2 4.41Å; I36-K70 WeakPolarHBondContact CA-O 3.43Å; I36-Y71 HydrophobicContact CG2-CD1 3.54Å; I36-Y71 HydrophobicContact CG2-CE1 3.2Å; I36-Y71 HydrophobicContact CG2-CE2 4.23Å; I36-Y71 HydrophobicContact CG2-CG 4.2Å
37V97.4Very high87.3Confident0 Ų064.8 Ų64.80%034%0.341CS..EExtended strand (participates in β ladder)trans-121.2121.6169.1-176.50000108.9Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.56Å; V37-Y55 WeakPolarHBondContact CA-O 3.47Å; V37-V56 HydrophobicContact CG2-CG2 4.39Å; V37-K70 PolarHBondContact N-O 3.4Å; V37-K70 PolarHBondContact O-N 2.89Å; V37-D83 HydrophobicContact CB-CB 4.24Å; V37-D83 HydrophobicContact CG2-CB 3.76Å; V37-K86 HydrophobicContact CG1-CD 4.09Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; V37-I87 HydrophobicContact CG2-CD1 4.42Å; V37-I87 HydrophobicContact CG2-CG1 4.03Å
38G95.6Very high85.8Confident0 Ų061.5 Ų61.50%034%0.344CS..EExtended strand (participates in β ladder)trans-104.3133.1178.200000112.1S54 Y55 T68G38-S54 CarbonylContact O-C 3.58Å; G38-S54 WeakPolarHBondContact O-CA 3.45Å; G38-Y55 PolarHBondContact N-O 3.24Å; G38-Y55 PolarHBondContact O-N 3.39Å; G38-T68 WeakPolarHBondContact CA-O 3.45Å
39R93.7Very high84.1Confident76 Ų7664 Ų6429%0.28735%0.348SS..EExtended strand (participates in β ladder)trans-119137.2174.7-68.6176.3174.984-9.4111.1R41 L67 T68 D83R39-R41 PolarHBondContact O-N 3.11Å; R39-L67 CarbonylContact O-C 3.56Å; R39-L67 WeakPolarHBondContact O-CA 3.49Å; R39-T68 PolarHBondContact N-O 2.67Å; R39-T68 PolarHBondContact O-N 2.65Å; R39-D83 IonicContact CZ-OD1 2.95Å; R39-D83 IonicContact CZ-OD2 2.74Å; R39-D83 VanDerWaalsContact NH1-CG 3.35Å; R39-D83 IonicContact NH1-OD1 3.16Å; R39-D83 PolarHBondContact NH1-OD1 3.08Å; R39-D83 IonicContact NH1-OD2 2.72Å; R39-D83 PolarHBondContact NH1-OD2 3.45Å; R39-D83 IonicContact NH2-OD1 3.35Å; R39-D83 PolarHBondContact NH2-OD1 2.81Å; R39-D83 IonicContact NH2-OD2 3.06Å
40P90.8Very high82.5Confident50 Ų5066.3 Ų66.333%0.32537%0.374SS..EExtended strand (participates in β ladder)trans-56.6132.9179.5-2635.1000113.2Y55 L67P40-Y55 HydrophobicContact CG-CE2 4.03Å; P40-L67 HydrophobicContact CB-CD2 4.32Å; P40-L67 HydrophobicContact CG-CD2 4.02Å
41R86.9Confident81Confident134 Ų13466.3 Ų66.351%0.50638%0.381SS..SBendtrans-71.7-32.6175.2-68.1-177.7-169.7-1725.9112.8R39 I66 L67 T68R39-R41 PolarHBondContact O-N 3.11Å; R41-I66 PolarHBondContact N-O 3.3Å; R41-L67 PolarHBondContact NE-O 3.4Å; R41-L67 PolarHBondContact NH2-O 3.44Å; R41-T68 WeakPolarHBondContact CG-OG1 3.43Å
42H80.9Confident80.2Confident136 Ų13671 Ų7163%0.6340%0.4SS*.SBendtrans-134.2133.8-177.5-57.2-63.4000109.3V45H42-V45 HydrophobicContact CB-CG2 3.74Å
43Q70.1Confident79.7Confident190 Ų19075.5 Ų75.589%0.88842%0.423SS*.THydrogen-bonded Turntrans-68.5137.6175.4-71.4-176-12.700110.3
44G66.8Low79.4Confident49 Ų4977 Ų7751%0.50543%0.433SS..THydrogen-bonded Turntrans87.56.8170.400000117.5M46G44-M46 VanDerWaalsContact C-N 3.34Å; G44-M46 PolarHBondContact O-N 2.95Å
45V60.3Low79.4Confident84 Ų8476.2 Ų76.251%0.50943%0.428SS..  trans-73.3-22.1-178.2-177.90000113.4H42 I66H42-V45 HydrophobicContact CB-CG2 3.74Å; V45-I66 HydrophobicContact CG1-CG2 4.38Å
46M62.8Low79.4Confident43 Ų4376.8 Ų76.821%0.21243%0.431CS..  trans-96.899.5-179.9-73.4-170.5-112.100111.3G44 M49 Y55 K63 I66 L67G44-M46 VanDerWaalsContact C-N 3.34Å; G44-M46 PolarHBondContact O-N 2.95Å; M46-M49 HydrophobicContact CB-CB 4.42Å; M46-M49 HydrophobicContact SD-SD 4.3Å; M46-Y55 HydrophobicContact CE-CE1 4.35Å; M46-Y55 HydrophobicContact CE-CE2 3.5Å; M46-Y55 VanDerWaalsContact CE-CE2 3.5Å; M46-Y55 WeakPolarHBondContact CE-OH 3.1Å; M46-Y55 PolarHBondContact SD-OH 3.33Å; M46-Y55 VanDerWaalsContact SD-OH 3.35Å; M46-K63 HydrophobicContact CE-CD 4.27Å; M46-K63 HydrophobicContact SD-CD 4.13Å; M46-I66 HydrophobicContact CE-CD1 3.72Å; M46-I66 HydrophobicContact CG-CD1 4.09Å; M46-I66 HydrophobicContact SD-CD1 4.21Å; M46-L67 HydrophobicContact CE-CD2 4.42Å
47V58.5Low79.4Confident147 Ų14776.8 Ų76.889%0.89143%0.431SS*.SBendtrans-77.6123.9172.3-178.30000109.2M49V47-M49 PolarHBondContact O-N 3.16Å
48G62.4Low79.3Confident85 Ų8581 Ų8188%0.87645%0.453SS*.SBendtrans88.6-11172.100000116.5
49M60Low79.2Confident103 Ų10383.7 Ų83.751%0.50747%0.466SS..SBendtrans-98.9128.6163-75.5-179.5136.700107.6M46 V47 Q51 K63M46-M49 HydrophobicContact CB-CB 4.42Å; M46-M49 HydrophobicContact SD-SD 4.3Å; V47-M49 PolarHBondContact O-N 3.16Å; M49-Q51 PolarHBondContact O-N 3.08Å; M49-K63 PolarHBondContact SD-NZ 3.08Å
50G63.5Low79.2Confident63 Ų6380.1 Ų80.165%0.64945%0.452SS*.  trans-47.9141174.800000111K52G50-K52 PolarHBondContact O-N 3.15Å
51Q67.7Low79.2Confident156 Ų15679.2 Ų79.273%0.72944%0.444SS*.  trans-62.497177.7-72.6-172.3-4.900108.8M49M49-Q51 PolarHBondContact O-N 3.08Å
52K81.3Confident79.3Confident103 Ų10377.3 Ų77.345%0.44845%0.451SS..  trans-85.4135.4169-67.2-173-176.4175.90108.5G50 S54 Y55 E59G50-K52 PolarHBondContact O-N 3.15Å; K52-S54 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.16Å; K52-Y55 HydrophobicContact CB-CE1 4.15Å; K52-Y55 HydrophobicContact CB-CE2 4.22Å; K52-Y55 HydrophobicContact CD-CD1 4.29Å; K52-Y55 HydrophobicContact CD-CE1 3.81Å; K52-Y55 HydrophobicContact CG-CE1 4.43Å; K52-E59 IonicContact NZ-OE1 2.72Å; K52-E59 IonicContact NZ-OE2 3.7Å; K52-E59 PolarHBondContact NZ-OE2 3.38Å
53D86.4Confident79.8Confident144 Ų14472.5 Ų72.577%0.7743%0.429SS*.SBendtrans-72.6-25.4178.1-62.6-37.3000112.7
54S93.2Very high80.6Confident31 Ų3164.8 Ų64.822%0.21739%0.391CS..  trans-150.3154.6179570000112.9G38 K52G38-S54 CarbonylContact O-C 3.58Å; G38-S54 WeakPolarHBondContact O-CA 3.45Å; K52-S54 VanDerWaalsContact C-N 3.29Å; K52-S54 PolarHBondContact O-N 3.16Å
55Y95.2Very high81.5Confident5 Ų565.5 Ų65.52%0.0240%0.398CS..EExtended strand (participates in β ladder)trans-123.5148175.2-62.1-87.2000108.8V37 G38 P40 M46 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.56Å; V37-Y55 WeakPolarHBondContact CA-O 3.47Å; G38-Y55 PolarHBondContact N-O 3.24Å; G38-Y55 PolarHBondContact O-N 3.39Å; P40-Y55 HydrophobicContact CG-CE2 4.03Å; M46-Y55 HydrophobicContact CE-CE1 4.35Å; M46-Y55 HydrophobicContact CE-CE2 3.5Å; M46-Y55 VanDerWaalsContact CE-CE2 3.5Å; M46-Y55 WeakPolarHBondContact CE-OH 3.1Å; M46-Y55 PolarHBondContact SD-OH 3.33Å; M46-Y55 VanDerWaalsContact SD-OH 3.35Å; K52-Y55 HydrophobicContact CB-CE1 4.15Å; K52-Y55 HydrophobicContact CB-CE2 4.22Å; K52-Y55 HydrophobicContact CD-CD1 4.29Å; K52-Y55 HydrophobicContact CD-CE1 3.81Å; K52-Y55 HydrophobicContact CG-CE1 4.43Å; Y55-E59 HydrophobicContact CD1-CG 3.7Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.3Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.42Å; Y55-E59 HydrophobicContact CE1-CG 4.36Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.33Å; Y55-K63 HydrophobicContact CD1-CD 4.2Å; Y55-K63 HydrophobicContact CE1-CD 4.12Å; Y55-L67 HydrophobicContact CD2-CD1 3.76Å; Y55-L67 HydrophobicContact CD2-CD2 3.67Å; Y55-L67 HydrophobicContact CD2-CG 4.4Å; Y55-L67 HydrophobicContact CE2-CD2 3.99Å; Y55-L67 HydrophobicContact CG-CD1 3.95Å
56V97.4Very high82.8Confident13 Ų1364.6 Ų64.68%0.07939%0.39CS..EExtended strand (participates in β ladder)trans-128.7152.1-178.5-177.50000109.4F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.26Å; I36-V56 WeakPolarHBondContact O-CA 3.19Å; V37-V56 HydrophobicContact CG2-CG2 4.39Å; V56-E59 PolarHBondContact O-N 3.49Å; V56-A60 PolarHBondContact O-N 2.95Å; V56-K86 HydrophobicContact CG2-CB 4.2Å; V56-I87 HydrophobicContact CG1-CG1 3.95Å; V56-H90 HydrophobicContact CB-CB 3.96Å; V56-H90 HydrophobicContact CG1-CB 3.7Å; V56-H90 HydrophobicContact CG2-CB 4.32Å
57G96.6Very high84.1Confident0 Ų062.6 Ų62.60%038%0.38CS..Hα-helixtrans63-137.9170.500000113.8P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.44Å; I36-G57 PolarHBondContact O-N 3.03Å; G57-E59 VanDerWaalsContact C-N 3.26Å; G57-E59 PolarHBondContact O-N 3.1Å; G57-A60 WeakPolarHBondContact O-CB 3.32Å; G57-A60 PolarHBondContact O-N 2.9Å; G57-A60 VanDerWaalsContact O-N 3.1Å; G57-Q61 PolarHBondContact O-N 3.37Å
58D94.8Very high85.7Confident89 Ų8958.8 Ų58.848%0.47636%0.358SS..Hα-helixtrans-64.9-28.3-176.6-63.4-55.4000113.1P34 A60 Q61 S62P34-D58 VanDerWaalsContact CD-OD1 3.25Å; P34-D58 WeakPolarHBondContact CD-OD1 3.35Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 3.09Å; D58-S62 WeakPolarHBondContact O-CB 3.28Å; D58-S62 PolarHBondContact O-N 3.33Å; D58-S62 PolarHBondContact O-OG 3.27Å
59E93.4Very high87.1Confident57 Ų5756.5 Ų56.527%0.26633%0.325SS..Hα-helixtrans-66.2-39.1174.3-163.2-178.1178.900110.8K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 2.72Å; K52-E59 IonicContact NZ-OE2 3.7Å; K52-E59 PolarHBondContact NZ-OE2 3.38Å; Y55-E59 HydrophobicContact CD1-CG 3.7Å; Y55-E59 VanDerWaalsContact CD1-OE1 3.3Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.42Å; Y55-E59 HydrophobicContact CE1-CG 4.36Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.33Å; V56-E59 PolarHBondContact O-N 3.49Å; G57-E59 VanDerWaalsContact C-N 3.26Å; G57-E59 PolarHBondContact O-N 3.1Å; E59-S62 PolarHBondContact O-OG 3.04Å; E59-S62 VanDerWaalsContact O-OG 3.08Å; E59-K63 HydrophobicContact CG-CD 4.27Å; E59-K63 WeakPolarHBondContact O-CB 3.48Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 3.43Å; E59-K63 IonicContact OE1-NZ 2.89Å; E59-K63 PolarHBondContact OE1-NZ 2.89Å
60A93.6Very high88.8Confident0 Ų056.5 Ų56.50%032%0.322CS..Hα-helixtrans-68.5-41.5173.500000111.6I36 V56 G57 D58 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 3.9Å; I36-A60 HydrophobicContact CG1-CB 3.92Å; V56-A60 PolarHBondContact O-N 2.95Å; G57-A60 WeakPolarHBondContact O-CB 3.32Å; G57-A60 PolarHBondContact O-N 2.9Å; G57-A60 VanDerWaalsContact O-N 3.1Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.6Å; A60-K63 PolarHBondContact O-N 2.87Å; A60-R64 PolarHBondContact O-N 3.35Å; A60-L67 HydrophobicContact CB-CD1 4.33Å; A60-L69 HydrophobicContact CB-CD2 4.02Å
61Q90.9Very high90.3Very high31 Ų3156.5 Ų56.515%0.14530%0.303CS..Hα-helixtrans-64.1-46.3-178.7-168.869.5-14.100112.1I36 G57 D58 K63 R64 E209I36-Q61 HydrophobicContact CD1-CB 3.9Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.25Å; G57-Q61 PolarHBondContact O-N 3.37Å; D58-Q61 PolarHBondContact O-N 3.09Å; Q61-K63 VanDerWaalsContact C-N 3.25Å; Q61-K63 PolarHBondContact O-N 2.98Å; Q61-R64 WeakPolarHBondContact O-CB 3.43Å; Q61-R64 PolarHBondContact O-N 3.1Å; Q61-E209 PolarHBondContact NE2-OE2 3.31Å
62S90.4Very high91.7Very high95 Ų9549 Ų4966%0.66427%0.268SS*.Hα-helixtrans-64.5-29.2178.457.60000112.9D58 E59D58-S62 WeakPolarHBondContact O-CB 3.28Å; D58-S62 PolarHBondContact O-N 3.33Å; D58-S62 PolarHBondContact O-OG 3.27Å; E59-S62 PolarHBondContact O-OG 3.04Å; E59-S62 VanDerWaalsContact O-OG 3.08Å
63K89.7Confident92.3Very high34 Ų3444.2 Ų44.215%0.14825%0.247CC..THydrogen-bonded Turntrans-98.313.3-179.6-65.6175.1-179.4176.60113.6M46 M49 Y55 E59 A60 Q61 G65 I66 L67M46-K63 HydrophobicContact CE-CD 4.27Å; M46-K63 HydrophobicContact SD-CD 4.13Å; M49-K63 PolarHBondContact SD-NZ 3.08Å; Y55-K63 HydrophobicContact CD1-CD 4.2Å; Y55-K63 HydrophobicContact CE1-CD 4.12Å; E59-K63 HydrophobicContact CG-CD 4.27Å; E59-K63 WeakPolarHBondContact O-CB 3.48Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 3.43Å; E59-K63 IonicContact OE1-NZ 2.89Å; E59-K63 PolarHBondContact OE1-NZ 2.89Å; A60-K63 CarbonylContact O-C 3.6Å; A60-K63 PolarHBondContact O-N 2.87Å; Q61-K63 VanDerWaalsContact C-N 3.25Å; Q61-K63 PolarHBondContact O-N 2.98Å; K63-G65 PolarHBondContact O-N 3.44Å; K63-I66 HydrophobicContact CB-CG1 4.25Å; K63-I66 VanDerWaalsContact O-CG1 3.24Å; K63-I66 WeakPolarHBondContact O-CG1 3.36Å; K63-I66 PolarHBondContact O-N 3.14Å; K63-L67 HydrophobicContact CB-CD1 3.61Å; K63-L67 HydrophobicContact CB-CG 3.93Å; K63-L67 WeakPolarHBondContact O-CG 3.41Å; K63-L67 PolarHBondContact O-N 3.31Å
64R87.2Confident92.6Very high29 Ų2942.2 Ų42.211%0.10923%0.233CC..THydrogen-bonded Turntrans-53.1-27-17573.4-173.3-51.4151.818116.1A60 Q61 I66 L67 L69 T205A60-R64 PolarHBondContact O-N 3.35Å; Q61-R64 WeakPolarHBondContact O-CB 3.43Å; Q61-R64 PolarHBondContact O-N 3.1Å; R64-I66 PolarHBondContact O-N 3.15Å; R64-L67 VanDerWaalsContact O-O 3.11Å; R64-L69 HydrophobicContact CB-CD1 3.78Å; R64-L69 HydrophobicContact CB-CG 4.4Å; R64-T205 PolarHBondContact NE-OG1 3.25Å; R64-T205 VanDerWaalsContact NE-OG1 3.15Å; R64-T205 PolarHBondContact NH1-O 2.93Å; R64-T205 VanDerWaalsContact NH1-O 3.07Å; R64-T205 VanDerWaalsContact NH2-C 3.3Å; R64-T205 VanDerWaalsContact NH2-CB 3.27Å; R64-T205 PolarHBondContact NH2-O 3.06Å; R64-T205 PolarHBondContact NH2-OG1 3.19Å
65G85.4Confident92.5Very high63 Ų6343.9 Ų43.965%0.64924%0.238SC*.THydrogen-bonded Turntrans-64.8-27179.300000113.3K63K63-G65 PolarHBondContact O-N 3.44Å
66I88.6Confident92.1Very high65 Ų6544.3 Ų44.333%0.33324%0.244SC..THydrogen-bonded Turntrans-114.4-3-178.660.9173.6000113.1R41 V45 M46 K63 R64R41-I66 PolarHBondContact N-O 3.3Å; V45-I66 HydrophobicContact CG1-CG2 4.38Å; M46-I66 HydrophobicContact CE-CD1 3.72Å; M46-I66 HydrophobicContact CG-CD1 4.09Å; M46-I66 HydrophobicContact SD-CD1 4.21Å; K63-I66 HydrophobicContact CB-CG1 4.25Å; K63-I66 VanDerWaalsContact O-CG1 3.24Å; K63-I66 WeakPolarHBondContact O-CG1 3.36Å; K63-I66 PolarHBondContact O-N 3.14Å; R64-I66 PolarHBondContact O-N 3.15Å
67L90.7Very high91.9Very high1 Ų145 Ų451%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-109.2151.5-180-57-177.5000111.7R39 P40 R41 M46 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.56Å; R39-L67 WeakPolarHBondContact O-CA 3.49Å; P40-L67 HydrophobicContact CB-CD2 4.32Å; P40-L67 HydrophobicContact CG-CD2 4.02Å; R41-L67 PolarHBondContact NE-O 3.4Å; R41-L67 PolarHBondContact NH2-O 3.44Å; M46-L67 HydrophobicContact CE-CD2 4.42Å; Y55-L67 HydrophobicContact CD2-CD1 3.76Å; Y55-L67 HydrophobicContact CD2-CD2 3.67Å; Y55-L67 HydrophobicContact CD2-CG 4.4Å; Y55-L67 HydrophobicContact CE2-CD2 3.99Å; Y55-L67 HydrophobicContact CG-CD1 3.95Å; A60-L67 HydrophobicContact CB-CD1 4.33Å; K63-L67 HydrophobicContact CB-CD1 3.61Å; K63-L67 HydrophobicContact CB-CG 3.93Å; K63-L67 WeakPolarHBondContact O-CG 3.41Å; K63-L67 PolarHBondContact O-N 3.31Å; R64-L67 VanDerWaalsContact O-O 3.11Å; L67-L69 HydrophobicContact CB-CD2 4.04Å; L67-L69 HydrophobicContact CD1-CD2 4.49Å
68T91.3Very high91.9Very high68 Ų6845.7 Ų45.742%0.41725%0.25SS..EExtended strand (participates in β ladder)trans-94.1113.3160.1-60.30000107.3G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.45Å; R39-T68 PolarHBondContact N-O 2.67Å; R39-T68 PolarHBondContact O-N 2.65Å; R41-T68 WeakPolarHBondContact CG-OG1 3.43Å
69L92.6Very high91.9Very high37 Ų3745.1 Ų45.119%0.19425%0.25CC..EExtended strand (participates in β ladder)trans-88.1137.7-179.6-56.6-176.6000110.5I36 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-L69 HydrophobicContact CD1-CD2 4.41Å; A60-L69 HydrophobicContact CB-CD2 4.02Å; R64-L69 HydrophobicContact CB-CD1 3.78Å; R64-L69 HydrophobicContact CB-CG 4.4Å; L67-L69 HydrophobicContact CB-CD2 4.04Å; L67-L69 HydrophobicContact CD1-CD2 4.49Å
70K95.3Very high92.1Very high103 Ų10344.7 Ų44.745%0.44825%0.249SC..EExtended strand (participates in β ladder)trans-127.2146.8172-68.9-169.7175.1-173.10110.5I36 V37I36-K70 WeakPolarHBondContact CA-O 3.43Å; V37-K70 PolarHBondContact N-O 3.4Å; V37-K70 PolarHBondContact O-N 2.89Å
71Y94.8Very high92.3Very high62 Ų6247 Ų4724%0.24326%0.258CS..  trans-108.2111.9176-65.3-98.1000107.9I36 I73I36-Y71 HydrophobicContact CG2-CD1 3.54Å; I36-Y71 HydrophobicContact CG2-CE1 3.2Å; I36-Y71 HydrophobicContact CG2-CE2 4.23Å; I36-Y71 HydrophobicContact CG2-CG 4.2Å; Y71-I73 PolarHBondContact O-N 2.98Å
72P96.4Very high92.6Very high0 Ų050.6 Ų50.60%028%0.278CS..SBendtrans-77.5-8.2-177.928.1-30.8000113.9S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.41Å; P72-I78 CarbonylContact O-C 3.53Å; P72-I78 WeakPolarHBondContact O-CA 3.3Å; P72-T79 PolarHBondContact O-N 3.35Å; P72-T79 PolarHBondContact O-OG1 2.87Å; P72-N80 HydrophobicContact CB-CB 4.26Å; P72-N80 PolarHBondContact O-N 3.06Å; P72-D83 HydrophobicContact CB-CB 3.74Å; P72-D83 HydrophobicContact CG-CB 4.21Å; P72-M84 HydrophobicContact CB-CB 4.46Å; P72-M84 HydrophobicContact CG-SD 4.4Å; P72-I87 HydrophobicContact CG-CD1 3.28Å; P72-I87 HydrophobicContact CG-CG1 4.37Å
73I95.4Very high93Very high2 Ų246.1 Ų46.11%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-120113.6177.8-55.4170.7000108.4N14 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.27Å; Y71-I73 PolarHBondContact O-N 2.98Å; I73-I77 WeakPolarHBondContact CA-O 3.4Å; I73-I78 HydrophobicContact CG1-CG1 4.02Å; I73-M84 HydrophobicContact CD1-CE 4.17Å; I73-M84 HydrophobicContact CD1-SD 3.77Å; I73-M84 HydrophobicContact CG1-SD 3.9Å
74E91.5Very high93.4Very high101 Ų10144.5 Ų44.547%0.47224%0.24SC..EExtended strand (participates in β ladder)trans-114.5126.9176.5-66.2-177.9173.500109G76 I77 T79E74-G76 PolarHBondContact O-N 2.92Å; E74-G76 VanDerWaalsContact O-N 3.1Å; E74-I77 PolarHBondContact N-O 2.97Å; E74-I77 PolarHBondContact O-N 3.18Å; E74-T79 HydrophobicContact CB-CG2 3.97Å; E74-T79 HydrophobicContact CG-CG2 4.32Å
75H90.4Very high93.9Very high67 Ų6746.6 Ų46.631%0.3125%0.251SS..THydrogen-bonded Turntrans47.541.1-177.3-53.1-69.5000114.1I77 G160 R179H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.44Å; H75-G160 PolarHBondContact ND1-O 3.48Å; H75-R179 VanDerWaalsContact CB-NH2 3.26Å; H75-R179 PolarHBondContact O-NH2 3.44Å
76G88.6Confident94.5Very high14 Ų1446.6 Ų46.614%0.14423%0.233CC..THydrogen-bonded Turntrans78.81.317900000115.6E74 A110E74-G76 PolarHBondContact O-N 2.92Å; E74-G76 VanDerWaalsContact O-N 3.1Å; G76-A110 WeakPolarHBondContact O-CB 3.41Å
77I93.4Very high95Very high28 Ų2843.5 Ų43.514%0.14422%0.217CC..EExtended strand (participates in β ladder)trans-111.4132.2-178.8-54.2-59.2000109.5I73 E74 H75 T79 N117I73-I77 WeakPolarHBondContact CA-O 3.4Å; E74-I77 PolarHBondContact N-O 2.97Å; E74-I77 PolarHBondContact O-N 3.18Å; H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 3.44Å; I77-T79 PolarHBondContact O-N 3.33Å; I77-N117 VanDerWaalsContact CG2-ND2 3.29Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.38Å
78I96Very high95.3Very high14 Ų1443.4 Ų43.47%0.07222%0.217CC..EExtended strand (participates in β ladder)trans-69.9121.2174.4-62.4161.5000108.8P72 I73 W81 M84 W88 M121P72-I78 CarbonylContact O-C 3.53Å; P72-I78 WeakPolarHBondContact O-CA 3.3Å; I73-I78 HydrophobicContact CG1-CG1 4.02Å; I78-W81 HydrophobicContact CB-CH2 4.14Å; I78-W81 HydrophobicContact CB-CZ2 4.1Å; I78-W81 HydrophobicContact CB-CZ3 4.46Å; I78-W81 HydrophobicContact CD1-CE3 4.47Å; I78-W81 HydrophobicContact CD1-CH2 3.68Å; I78-W81 HydrophobicContact CD1-CZ2 4.48Å; I78-W81 HydrophobicContact CD1-CZ3 3.69Å; I78-W81 HydrophobicContact CG2-CD2 3.81Å; I78-W81 HydrophobicContact CG2-CE3 3.88Å; I78-W81 HydrophobicContact CG2-CG 4.37Å; I78-W81 HydrophobicContact CG2-CH2 4.17Å; I78-W81 HydrophobicContact CG2-CZ2 4.07Å; I78-W81 HydrophobicContact CG2-CZ3 4.1Å; I78-M84 HydrophobicContact CD1-CG 3.96Å; I78-M84 HydrophobicContact CD1-SD 4.41Å; I78-M84 HydrophobicContact CG1-CG 4.23Å; I78-M84 HydrophobicContact CG1-SD 4.28Å; I78-M84 HydrophobicContact CG2-CB 3.94Å; I78-M84 HydrophobicContact CG2-CG 4.19Å; I78-W88 HydrophobicContact CD1-CH2 4.09Å; I78-W88 HydrophobicContact CD1-CZ2 4.28Å; I78-M121 HydrophobicContact CD1-CE 3.73Å
79T95.2Very high95.7Very high77 Ų7744.6 Ų44.647%0.47222%0.217SC..  trans-108.5-20.5179.958.60000112.9P72 E74 I77P72-T79 PolarHBondContact O-N 3.35Å; P72-T79 PolarHBondContact O-OG1 2.87Å; E74-T79 HydrophobicContact CB-CG2 3.97Å; E74-T79 HydrophobicContact CG-CG2 4.32Å; I77-T79 PolarHBondContact O-N 3.33Å
80N97.4Very high96Very high47 Ų4743.9 Ų43.925%0.25121%0.213SC..  trans-133.4103.8177-169.7-53.8000111.2P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.26Å; P72-N80 PolarHBondContact O-N 3.06Å; N80-D82 PolarHBondContact OD1-N 2.9Å; N80-D83 HydrophobicContact CB-CB 4.18Å; N80-D83 PolarHBondContact O-N 3.03Å; N80-D83 WeakPolarHBondContact OD1-CB 3.34Å; N80-D83 PolarHBondContact OD1-N 2.84Å; N80-M84 PolarHBondContact O-N 2.84Å
81W97.6Very high96.1Very high49 Ų4939 Ų3919%0.18619%0.192CC..Hα-helixtrans-70-35.5-177.4-68.3101.6000113.3I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.14Å; I78-W81 HydrophobicContact CB-CZ2 4.1Å; I78-W81 HydrophobicContact CB-CZ3 4.46Å; I78-W81 HydrophobicContact CD1-CE3 4.47Å; I78-W81 HydrophobicContact CD1-CH2 3.68Å; I78-W81 HydrophobicContact CD1-CZ2 4.48Å; I78-W81 HydrophobicContact CD1-CZ3 3.69Å; I78-W81 HydrophobicContact CG2-CD2 3.81Å; I78-W81 HydrophobicContact CG2-CE3 3.88Å; I78-W81 HydrophobicContact CG2-CG 4.37Å; I78-W81 HydrophobicContact CG2-CH2 4.17Å; I78-W81 HydrophobicContact CG2-CZ2 4.07Å; I78-W81 HydrophobicContact CG2-CZ3 4.1Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 2.75Å; W81-M84 PolarHBondContact O-N 2.82Å; W81-E85 WeakPolarHBondContact O-CB 3.48Å; W81-E85 PolarHBondContact O-N 2.77Å; W81-W88 HydrophobicContact CE3-CH2 4.49Å; W81-W88 HydrophobicContact CE3-CZ3 4.48Å; W81-W88 AromaticContact CZ3-CH2 3.96Å; W81-W88 HydrophobicContact CZ3-CH2 3.96Å; W81-W88 HydrophobicContact CZ3-CZ3 4.33Å; W81-N117 HydrophobicContact CH2-CB 4.22Å; W81-N117 WeakPolarHBondContact CH2-O 3.25Å; W81-N117 HydrophobicContact CZ2-CB 3.84Å; W81-K120 HydrophobicContact CD2-CB 4.36Å; W81-K120 HydrophobicContact CD2-CG 3.52Å; W81-K120 HydrophobicContact CE3-CG 3.8Å; W81-K120 HydrophobicContact CG-CG 4.04Å; W81-K120 HydrophobicContact CH2-CB 3.87Å; W81-K120 HydrophobicContact CH2-CG 4.06Å; W81-K120 HydrophobicContact CZ2-CB 3.72Å; W81-K120 HydrophobicContact CZ2-CG 3.82Å; W81-K120 HydrophobicContact CZ3-CB 4.24Å; W81-K120 HydrophobicContact CZ3-CG 4.03Å; W81-M121 HydrophobicContact CH2-CB 4.11Å; W81-M121 HydrophobicContact CZ3-CB 4.05Å; W81-I124 HydrophobicContact CB-CD1 4.39Å; W81-I124 HydrophobicContact CD2-CD1 4.21Å; W81-I124 HydrophobicContact CE3-CD1 3.42Å; W81-I124 VanDerWaalsContact CE3-CD1 3.42Å; W81-I124 HydrophobicContact CZ3-CD1 4.05Å
82D97.5Very high96.3Very high107 Ų10736.1 Ų36.157%0.57218%0.18SC*.Hα-helixtrans-63.9-35.2177.7-58-25.2000111.9N80 K86N80-D82 PolarHBondContact OD1-N 2.9Å; D82-K86 WeakPolarHBondContact O-CG 3.28Å; D82-K86 PolarHBondContact O-N 3.47Å; D82-K86 PolarHBondContact O-NZ 3.3Å
83D97.9Very high96.3Very high1 Ų140.3 Ų40.31%0.00520%0.197CC..Hα-helixtrans-80.1-34.4177.1-77.9-7.8000111.3V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.24Å; V37-D83 HydrophobicContact CG2-CB 3.76Å; R39-D83 IonicContact CZ-OD1 2.95Å; R39-D83 IonicContact CZ-OD2 2.74Å; R39-D83 VanDerWaalsContact NH1-CG 3.35Å; R39-D83 IonicContact NH1-OD1 3.16Å; R39-D83 PolarHBondContact NH1-OD1 3.08Å; R39-D83 IonicContact NH1-OD2 2.72Å; R39-D83 PolarHBondContact NH1-OD2 3.45Å; R39-D83 IonicContact NH2-OD1 3.35Å; R39-D83 PolarHBondContact NH2-OD1 2.81Å; R39-D83 IonicContact NH2-OD2 3.06Å; P72-D83 HydrophobicContact CB-CB 3.74Å; P72-D83 HydrophobicContact CG-CB 4.21Å; N80-D83 HydrophobicContact CB-CB 4.18Å; N80-D83 PolarHBondContact O-N 3.03Å; N80-D83 WeakPolarHBondContact OD1-CB 3.34Å; N80-D83 PolarHBondContact OD1-N 2.84Å; W81-D83 VanDerWaalsContact C-N 3.27Å; W81-D83 PolarHBondContact O-N 2.75Å; D83-K86 PolarHBondContact O-N 3.02Å; D83-K86 IonicContact OD1-NZ 3.31Å; D83-I87 PolarHBondContact O-N 3.31Å; D83-I87 VanDerWaalsContact O-N 3.09Å
84M98.1Very high96.4Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-65.4-40173.3-165.165.2-148.900112.2N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.38Å; N14-M84 WeakPolarHBondContact OD1-CE 3.21Å; P72-M84 HydrophobicContact CB-CB 4.46Å; P72-M84 HydrophobicContact CG-SD 4.4Å; I73-M84 HydrophobicContact CD1-CE 4.17Å; I73-M84 HydrophobicContact CD1-SD 3.77Å; I73-M84 HydrophobicContact CG1-SD 3.9Å; I78-M84 HydrophobicContact CD1-CG 3.96Å; I78-M84 HydrophobicContact CD1-SD 4.41Å; I78-M84 HydrophobicContact CG1-CG 4.23Å; I78-M84 HydrophobicContact CG1-SD 4.28Å; I78-M84 HydrophobicContact CG2-CB 3.94Å; I78-M84 HydrophobicContact CG2-CG 4.19Å; N80-M84 PolarHBondContact O-N 2.84Å; W81-M84 PolarHBondContact O-N 2.82Å; M84-K86 VanDerWaalsContact C-N 3.31Å; M84-K86 PolarHBondContact O-N 3.41Å; M84-I87 HydrophobicContact CE-CB 4.36Å; M84-I87 HydrophobicContact CE-CG2 3.85Å; M84-I87 WeakPolarHBondContact O-CA 3.41Å; M84-I87 WeakPolarHBondContact O-CB 3.45Å; M84-I87 PolarHBondContact O-N 3.07Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CB 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.46Å; M84-I87 HydrophobicContact SD-CG2 4.49Å; M84-W88 HydrophobicContact CB-CZ3 4.33Å; M84-W88 HydrophobicContact CE-CD2 3.98Å; M84-W88 HydrophobicContact CE-CG 4.3Å; M84-W88 HydrophobicContact CE-CH2 4.46Å; M84-W88 HydrophobicContact CE-CZ2 3.62Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 3.94Å; M84-W88 HydrophobicContact CG-CH2 3.53Å; M84-W88 HydrophobicContact CG-CZ2 3.66Å; M84-W88 HydrophobicContact CG-CZ3 3.68Å; M84-W88 PolarHBondContact O-N 2.86Å; M84-W88 HydrophobicContact SD-CZ2 4.44Å
85E98.1Very high96.7Very high72 Ų7242.7 Ų42.734%0.33621%0.21SC..Hα-helixtrans-59.7-41.1174.4-170.7-179.2125.400111.6W81 I87 W88 H89 I124 T128 F129W81-E85 WeakPolarHBondContact O-CB 3.48Å; W81-E85 PolarHBondContact O-N 2.77Å; E85-I87 VanDerWaalsContact C-N 3.3Å; E85-I87 PolarHBondContact O-N 3.35Å; E85-W88 PolarHBondContact O-N 2.94Å; E85-H89 WeakPolarHBondContact O-CB 3.45Å; E85-H89 PolarHBondContact O-N 3.15Å; E85-I124 HydrophobicContact CG-CG2 4.36Å; E85-T128 HydrophobicContact CG-CG2 4.35Å; E85-F129 HydrophobicContact CG-CE2 4.06Å; E85-F129 HydrophobicContact CG-CZ 3.94Å
86K98.1Very high97Very high63 Ų6340.4 Ų40.427%0.27420%0.2SC..Hα-helixtrans-63.3-36.4174-69.4175.5-168.673.40112.5V37 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.09Å; V37-K86 HydrophobicContact CG2-CB 4.46Å; V56-K86 HydrophobicContact CG2-CB 4.2Å; D82-K86 WeakPolarHBondContact O-CG 3.28Å; D82-K86 PolarHBondContact O-N 3.47Å; D82-K86 PolarHBondContact O-NZ 3.3Å; D83-K86 PolarHBondContact O-N 3.02Å; D83-K86 IonicContact OD1-NZ 3.31Å; M84-K86 VanDerWaalsContact C-N 3.31Å; M84-K86 PolarHBondContact O-N 3.41Å; K86-H90 WeakPolarHBondContact O-CB 3.45Å; K86-H90 PolarHBondContact O-N 3.13Å
87I98.4Very high97.5Very high0 Ų049.8 Ų49.80%023%0.231CC..Hα-helixtrans-64.7-46.5175.1-74.9-177.9000111.1V19 F33 V37 V56 P72 D83 M84 E85 H90 A91V19-I87 HydrophobicContact CG2-CG2 3.62Å; F33-I87 HydrophobicContact CE2-CG2 4.11Å; F33-I87 HydrophobicContact CZ-CG2 4.26Å; V37-I87 HydrophobicContact CG2-CD1 4.42Å; V37-I87 HydrophobicContact CG2-CG1 4.03Å; V56-I87 HydrophobicContact CG1-CG1 3.95Å; P72-I87 HydrophobicContact CG-CD1 3.28Å; P72-I87 HydrophobicContact CG-CG1 4.37Å; D83-I87 PolarHBondContact O-N 3.31Å; D83-I87 VanDerWaalsContact O-N 3.09Å; M84-I87 HydrophobicContact CE-CB 4.36Å; M84-I87 HydrophobicContact CE-CG2 3.85Å; M84-I87 WeakPolarHBondContact O-CA 3.41Å; M84-I87 WeakPolarHBondContact O-CB 3.45Å; M84-I87 PolarHBondContact O-N 3.07Å; M84-I87 VanDerWaalsContact O-N 3.08Å; M84-I87 HydrophobicContact SD-CB 4.49Å; M84-I87 HydrophobicContact SD-CD1 4.46Å; M84-I87 HydrophobicContact SD-CG2 4.49Å; E85-I87 VanDerWaalsContact C-N 3.3Å; E85-I87 PolarHBondContact O-N 3.35Å; I87-H90 WeakPolarHBondContact O-CB 3.38Å; I87-H90 PolarHBondContact O-N 3.13Å; I87-A91 PolarHBondContact O-N 2.89Å
88W98.5Very high97.7Very high0 Ų049.5 Ų49.50%023%0.231CC..Hα-helixtrans-66.2-42177.1-71.4-43.4000112.5N14 I78 W81 M84 E85 H90 A91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 3.3Å; I78-W88 HydrophobicContact CD1-CH2 4.09Å; I78-W88 HydrophobicContact CD1-CZ2 4.28Å; W81-W88 HydrophobicContact CE3-CH2 4.49Å; W81-W88 HydrophobicContact CE3-CZ3 4.48Å; W81-W88 AromaticContact CZ3-CH2 3.96Å; W81-W88 HydrophobicContact CZ3-CH2 3.96Å; W81-W88 HydrophobicContact CZ3-CZ3 4.33Å; M84-W88 HydrophobicContact CB-CZ3 4.33Å; M84-W88 HydrophobicContact CE-CD2 3.98Å; M84-W88 HydrophobicContact CE-CG 4.3Å; M84-W88 HydrophobicContact CE-CH2 4.46Å; M84-W88 HydrophobicContact CE-CZ2 3.62Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 3.94Å; M84-W88 HydrophobicContact CG-CH2 3.53Å; M84-W88 HydrophobicContact CG-CZ2 3.66Å; M84-W88 HydrophobicContact CG-CZ3 3.68Å; M84-W88 PolarHBondContact O-N 2.86Å; M84-W88 HydrophobicContact SD-CZ2 4.44Å; E85-W88 PolarHBondContact O-N 2.94Å; W88-H90 VanDerWaalsContact C-N 3.26Å; W88-H90 PolarHBondContact O-N 2.92Å; W88-A91 WeakPolarHBondContact O-CB 3.38Å; W88-A91 PolarHBondContact O-N 3Å; W88-A91 VanDerWaalsContact O-N 3.12Å; W88-F92 HydrophobicContact CB-CD2 4.41Å; W88-F92 HydrophobicContact CB-CE2 3.98Å; W88-F92 VanDerWaalsContact O-CD2 3.22Å; W88-F92 WeakPolarHBondContact O-CD2 3.39Å; W88-F92 WeakPolarHBondContact O-CG 3.13Å; W88-F92 PolarHBondContact O-N 3.36Å; W88-L107 HydrophobicContact CZ2-CD2 4.42Å; W88-M121 HydrophobicContact CH2-CB 4.31Å; W88-M121 HydrophobicContact CH2-CE 4.44Å; W88-M121 HydrophobicContact CH2-CG 3.76Å; W88-M121 HydrophobicContact CZ2-CE 4.24Å; W88-M121 HydrophobicContact CZ2-CG 4.02Å; W88-M121 HydrophobicContact CZ2-SD 4.44Å; W88-I124 HydrophobicContact CE3-CG2 4.09Å; W88-I124 HydrophobicContact CZ3-CB 4.42Å; W88-I124 HydrophobicContact CZ3-CD1 4.19Å; W88-I124 HydrophobicContact CZ3-CG2 4.01Å; W88-M125 HydrophobicContact CB-CE 4.21Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 VanDerWaalsContact CE2-CE 3.48Å; W88-M125 HydrophobicContact CE3-CE 3.65Å; W88-M125 HydrophobicContact CG-CE 3.56Å; W88-M125 HydrophobicContact CH2-CE 4.31Å; W88-M125 HydrophobicContact CZ2-CE 4.01Å; W88-M125 HydrophobicContact CZ3-CE 4.14Å; W88-F129 HydrophobicContact CB-CE2 3.76Å; W88-F129 HydrophobicContact CB-CZ 3.69Å; W88-F129 HydrophobicContact CE3-CE2 4.18Å
89H98.4Very high97.7Very high92 Ų9250.1 Ų50.143%0.42624%0.238SC..Hα-helixtrans-56-44.9172.6-178.5-63.3000111E85 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.45Å; E85-H89 PolarHBondContact O-N 3.15Å; H89-Y93 HydrophobicContact CB-CD2 4.45Å; H89-Y93 AromaticContact CD2-CD2 3.63Å; H89-Y93 AromaticContact CD2-CE2 3.84Å; H89-Y93 AromaticContact CE1-CD2 3.64Å; H89-Y93 AromaticContact CG-CD2 3.72Å; H89-Y93 AromaticContact ND1-CD2 3.74Å; H89-Y93 AromaticContact NE2-CD2 3.61Å; H89-Y93 WeakPolarHBondContact O-CB 3.38Å; H89-Y93 WeakPolarHBondContact O-CD2 3.47Å; H89-Y93 PolarHBondContact O-N 3.38Å; H89-F129 HydrophobicContact CB-CE1 4.1Å; H89-F129 HydrophobicContact CB-CZ 4.24Å
90H98.2Very high97.8Very high23 Ų2346.4 Ų46.411%0.10622%0.215CC..Iπ-helixtrans-62.8-44.4176.2-176.568.1000112F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CD2-CD2 3.98Å; F33-H90 AromaticContact CE2-CD2 3.75Å; F33-H90 AromaticContact CZ-CD2 3.92Å; V56-H90 HydrophobicContact CB-CB 3.96Å; V56-H90 HydrophobicContact CG1-CB 3.7Å; V56-H90 HydrophobicContact CG2-CB 4.32Å; K86-H90 WeakPolarHBondContact O-CB 3.45Å; K86-H90 PolarHBondContact O-N 3.13Å; I87-H90 WeakPolarHBondContact O-CB 3.38Å; I87-H90 PolarHBondContact O-N 3.13Å; W88-H90 VanDerWaalsContact C-N 3.26Å; W88-H90 PolarHBondContact O-N 2.92Å; H90-F92 PolarHBondContact O-N 3.01Å; H90-N94 WeakPolarHBondContact ND1-CB 3.43Å; H90-N94 WeakPolarHBondContact O-CA 3.28Å; H90-N94 VanDerWaalsContact O-CB 3.28Å; H90-N94 WeakPolarHBondContact O-CB 3.42Å; H90-N94 PolarHBondContact O-N 3.39Å; H90-E95 IonicContact CE1-OE1 2.74Å; H90-E95 IonicContact NE2-OE1 3.22Å; H90-E95 PolarHBondContact NE2-OE1 3.13Å; H90-E95 PolarHBondContact O-N 2.94Å
91A98.3Very high97.8Very high0 Ų048.6 Ų48.60%022%0.224CC..Iπ-helixtrans-58.3-48.9177.200000112A21 F33 I87 W88 E95 L96A21-A91 HydrophobicContact CB-CB 4.39Å; F33-A91 HydrophobicContact CE1-CB 4.16Å; F33-A91 HydrophobicContact CZ-CB 4.02Å; I87-A91 PolarHBondContact O-N 2.89Å; W88-A91 WeakPolarHBondContact O-CB 3.38Å; W88-A91 PolarHBondContact O-N 3Å; W88-A91 VanDerWaalsContact O-N 3.12Å; A91-E95 WeakPolarHBondContact O-CB 3.45Å; A91-L96 WeakPolarHBondContact O-CB 3.27Å; A91-L96 WeakPolarHBondContact O-CG 3.36Å; A91-L96 PolarHBondContact O-N 3Å
92F98.3Very high97.8Very high1 Ų152 Ų520%0.00424%0.242CC..Iπ-helixtrans-74.5-53.3-176-58-40.7000112.5L10 W88 H90 L96 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.68Å; L10-F92 HydrophobicContact CD1-CE1 3.77Å; W88-F92 HydrophobicContact CB-CD2 4.41Å; W88-F92 HydrophobicContact CB-CE2 3.98Å; W88-F92 VanDerWaalsContact O-CD2 3.22Å; W88-F92 WeakPolarHBondContact O-CD2 3.39Å; W88-F92 WeakPolarHBondContact O-CG 3.13Å; W88-F92 PolarHBondContact O-N 3.36Å; H90-F92 PolarHBondContact O-N 3.01Å; F92-L96 CarbonylContact O-C 3.37Å; F92-R97 WeakPolarHBondContact O-CA 3.43Å; F92-R97 PolarHBondContact O-N 3.48Å; F92-V98 PolarHBondContact O-N 3.32Å; F92-P100 HydrophobicContact CB-CB 4.43Å; F92-P100 HydrophobicContact CB-CG 4.38Å; F92-P100 HydrophobicContact CD2-CB 3.87Å; F92-P100 HydrophobicContact CD2-CG 4.14Å; F92-P100 HydrophobicContact CE2-CB 4.28Å; F92-P100 HydrophobicContact CG-CB 4.11Å; F92-P100 HydrophobicContact CG-CG 4.46Å; F92-T105 HydrophobicContact CE1-CG2 4.24Å; F92-T105 HydrophobicContact CZ-CG2 3.99Å; F92-M125 HydrophobicContact CE2-CE 4.2Å; F92-M125 HydrophobicContact CE2-SD 4.17Å; F92-M125 HydrophobicContact CZ-CE 4.19Å; F92-M125 HydrophobicContact CZ-SD 4.24Å; F92-F129 AromaticContact CD2-CD1 3.96Å; F92-F129 HydrophobicContact CD2-CD1 3.96Å; F92-F129 HydrophobicContact CD2-CE1 4.07Å; F92-F129 HydrophobicContact CD2-CG 4.38Å; F92-F129 HydrophobicContact CE2-CD1 4.23Å; F92-F129 HydrophobicContact CE2-CD2 4.39Å; F92-F129 HydrophobicContact CE2-CE1 4.45Å; F92-F129 HydrophobicContact CE2-CG 4.2Å
93Y98.1Very high97.8Very high89 Ų8948.1 Ų48.135%0.34922%0.22SC..Iπ-helixtrans-88.9-29.3-169.1-64.2-73.5000114.2H89 P100 F129H89-Y93 HydrophobicContact CB-CD2 4.45Å; H89-Y93 AromaticContact CD2-CD2 3.63Å; H89-Y93 AromaticContact CD2-CE2 3.84Å; H89-Y93 AromaticContact CE1-CD2 3.64Å; H89-Y93 AromaticContact CG-CD2 3.72Å; H89-Y93 AromaticContact ND1-CD2 3.74Å; H89-Y93 AromaticContact NE2-CD2 3.61Å; H89-Y93 WeakPolarHBondContact O-CB 3.38Å; H89-Y93 WeakPolarHBondContact O-CD2 3.47Å; H89-Y93 PolarHBondContact O-N 3.38Å; Y93-P100 HydrophobicContact CE1-CG 4.42Å; Y93-P100 HydrophobicContact CE2-CG 4.13Å; Y93-P100 VanDerWaalsContact OH-CD 3.3Å; Y93-P100 WeakPolarHBondContact OH-CD 3.3Å; Y93-P100 WeakPolarHBondContact OH-CG 3.29Å; Y93-F129 HydrophobicContact CE2-CD1 4.41Å; Y93-F129 HydrophobicContact CE2-CE1 4.34Å
94N96.7Very high97.7Very high77 Ų7748.9 Ų48.941%0.41223%0.225SC..Iπ-helixtrans-98.8-50.3-176.6-63.985.2000112.4H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.43Å; H90-N94 WeakPolarHBondContact O-CA 3.28Å; H90-N94 VanDerWaalsContact O-CB 3.28Å; H90-N94 WeakPolarHBondContact O-CB 3.42Å; H90-N94 PolarHBondContact O-N 3.39Å; N94-R97 WeakPolarHBondContact O-CG 3.36Å
95E97.9Very high97.8Very high76 Ų7648.9 Ų48.936%0.35523%0.225SC..Iπ-helixtrans-78.8-58.5-176.2-67.2-62.4126.100111.2A31 F33 H90 A91A31-E95 HydrophobicContact CB-CB 3.68Å; A31-E95 HydrophobicContact CB-CG 4.13Å; F33-E95 HydrophobicContact CD1-CG 3.86Å; F33-E95 HydrophobicContact CE1-CG 3.89Å; H90-E95 IonicContact CE1-OE1 2.74Å; H90-E95 IonicContact NE2-OE1 3.22Å; H90-E95 PolarHBondContact NE2-OE1 3.13Å; H90-E95 PolarHBondContact O-N 2.94Å; A91-E95 WeakPolarHBondContact O-CB 3.45Å
96L97.5Very high97.8Very high19 Ų1945.4 Ų45.410%0.09921%0.209CC..Iπ-helixtrans-82.8-23.6-178.7-61.3-176.5000113.4L10 A21 F23 R30 A31 A91 F92 V98L10-L96 HydrophobicContact CD2-CD1 4.17Å; A21-L96 HydrophobicContact CB-CD1 4.06Å; A21-L96 HydrophobicContact CB-CD2 4.46Å; A21-L96 HydrophobicContact CB-CG 4.35Å; F23-L96 HydrophobicContact CE2-CD2 4.14Å; R30-L96 HydrophobicContact CB-CD2 4.02Å; A31-L96 HydrophobicContact CB-CD2 4.48Å; A91-L96 WeakPolarHBondContact O-CB 3.27Å; A91-L96 WeakPolarHBondContact O-CG 3.36Å; A91-L96 PolarHBondContact O-N 3Å; F92-L96 CarbonylContact O-C 3.37Å; L96-V98 HydrophobicContact CB-CG2 3.97Å
97R97.8Very high97.8Very high211 Ų21142.4 Ų42.480%0.79620%0.196SC*.  trans56.445.7-179.8-54.3-178.9-178.7-179.21.4113.1F92 N94F92-R97 WeakPolarHBondContact O-CA 3.43Å; F92-R97 PolarHBondContact O-N 3.48Å; N94-R97 WeakPolarHBondContact O-CG 3.36Å
98V97.2Very high97.7Very high22 Ų2242.4 Ų42.413%0.13320%0.196CC..  trans-120.2159179.1-64.40000111.5L10 F23 F92 L96 P100L10-V98 HydrophobicContact CD1-CG2 3.82Å; L10-V98 HydrophobicContact CD2-CG2 4.27Å; F23-V98 HydrophobicContact CE1-CG1 3.94Å; F23-V98 HydrophobicContact CZ-CG1 3.58Å; F92-V98 PolarHBondContact O-N 3.32Å; L96-V98 HydrophobicContact CB-CG2 3.97Å; V98-P100 WeakPolarHBondContact O-CD 3.4Å
99A97.3Very high97.6Very high26 Ų2642.8 Ų42.822%0.21520%0.198CC..  trans-87.3108.7167.900000108.6E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.22Å; A99-E101 PolarHBondContact O-N 3.17Å; A99-E101 VanDerWaalsContact O-N 3.12Å; A99-E102 HydrophobicContact CB-CG 4.18Å; A99-E102 PolarHBondContact O-N 2.94Å; A99-H103 PolarHBondContact O-CD2 3.22Å
100P97.2Very high97.3Very high0 Ų038.5 Ų38.50%018%0.178CC..G310 helixtrans-58.3-25.6-177.223.8-33.7000113.5F92 Y93 V98 E102 H103 F129 V131 P132F92-P100 HydrophobicContact CB-CB 4.43Å; F92-P100 HydrophobicContact CB-CG 4.38Å; F92-P100 HydrophobicContact CD2-CB 3.87Å; F92-P100 HydrophobicContact CD2-CG 4.14Å; F92-P100 HydrophobicContact CE2-CB 4.28Å; F92-P100 HydrophobicContact CG-CB 4.11Å; F92-P100 HydrophobicContact CG-CG 4.46Å; Y93-P100 HydrophobicContact CE1-CG 4.42Å; Y93-P100 HydrophobicContact CE2-CG 4.13Å; Y93-P100 VanDerWaalsContact OH-CD 3.3Å; Y93-P100 WeakPolarHBondContact OH-CD 3.3Å; Y93-P100 WeakPolarHBondContact OH-CG 3.29Å; V98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-E102 PolarHBondContact O-N 3.24Å; P100-H103 PolarHBondContact O-N 3.18Å; P100-F129 HydrophobicContact CB-CB 4.26Å; P100-F129 HydrophobicContact CG-CB 4.2Å; P100-F129 HydrophobicContact CG-CD1 4.03Å; P100-V131 HydrophobicContact CB-CG1 4.19Å; P100-P132 WeakPolarHBondContact O-CD 3.46Å
101E97.3Very high96.9Very high93 Ų9337.4 Ų37.444%0.43517%0.173SC..G310 helixtrans-64.8-13.7175.261.8-94.1-138.200114.6A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.22Å; A99-E101 PolarHBondContact O-N 3.17Å; A99-E101 VanDerWaalsContact O-N 3.12Å; E101-N130 WeakPolarHBondContact CA-O 3.48Å; E101-N130 HydrophobicContact CB-CB 4.21Å; E101-P132 WeakPolarHBondContact O-CD 3.39Å
102E96.7Very high96.4Very high121 Ų12142.2 Ų42.257%0.56520%0.198SC*.G310 helixtrans-99-7.9177.9-62.5-178.3171.300113T7 A99 P100T7-E102 WeakPolarHBondContact CB-O 3.35Å; T7-E102 PolarHBondContact OG1-O 3.1Å; A99-E102 HydrophobicContact CB-CG 4.18Å; A99-E102 PolarHBondContact O-N 2.94Å; P100-E102 PolarHBondContact O-N 3.24Å
103H97.3Very high96Very high24 Ų2442.9 Ų42.911%0.11120%0.202CC..SBendtrans-128.7127.3-169.4-66.6-89.6000114.2T8 L10 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 2.9Å; L10-H103 HydrophobicContact CD1-CB 3.95Å; L10-H103 HydrophobicContact CD2-CB 4.26Å; L10-H103 HydrophobicContact CG-CB 3.7Å; A99-H103 PolarHBondContact O-CD2 3.22Å; P100-H103 PolarHBondContact O-N 3.18Å; H103-T105 PolarHBondContact O-N 2.96Å; H103-T105 PolarHBondContact O-OG1 2.99Å; H103-P132 WeakPolarHBondContact O-CD 3.45Å
104P97.6Very high95.8Very high17 Ų1741.6 Ų41.611%0.1121%0.205CC..  trans-56.1139.7164.8-22.733.8000110.8A9 L10 A133 W358A9-P104 CarbonylContact C-O 3.51Å; A9-P104 VanDerWaalsContact CA-O 3.23Å; A9-P104 WeakPolarHBondContact CA-O 3.33Å; A9-P104 HydrophobicContact CB-CB 4.12Å; L10-P104 PolarHBondContact N-O 2.89Å; P104-A133 CarbonylContact C-O 3.58Å; P104-A133 VanDerWaalsContact CA-O 3.29Å; P104-A133 WeakPolarHBondContact CA-O 3.49Å; P104-A133 HydrophobicContact CB-CB 4.27Å; P104-W358 HydrophobicContact CB-CD2 4.34Å; P104-W358 HydrophobicContact CB-CE3 4.33Å; P104-W358 HydrophobicContact CB-CH2 4Å; P104-W358 HydrophobicContact CB-CZ2 3.99Å; P104-W358 HydrophobicContact CB-CZ3 4.18Å
105T98.3Very high95.7Very high0 Ų045 Ų450%022%0.215CC..EExtended strand (participates in β ladder)trans-126.8114.8-173.4-62.30000112.5L10 F92 H103 L107 A133 M134 Y135L10-T105 HydrophobicContact CB-CG2 4.41Å; F92-T105 HydrophobicContact CE1-CG2 4.24Å; F92-T105 HydrophobicContact CZ-CG2 3.99Å; H103-T105 PolarHBondContact O-N 2.96Å; H103-T105 PolarHBondContact O-OG1 2.99Å; T105-L107 HydrophobicContact CG2-CD1 4.44Å; T105-L107 HydrophobicContact CG2-CD2 4.49Å; T105-L107 HydrophobicContact CG2-CG 4.12Å; T105-A133 PolarHBondContact N-O 2.84Å; T105-M134 WeakPolarHBondContact O-CA 3.45Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.44Å; T105-Y135 PolarHBondContact O-N 3.12Å; T105-Y135 VanDerWaalsContact O-N 3.12Å
106L98.5Very high95.6Very high0 Ų044.2 Ų44.20%022%0.223CC..EExtended strand (participates in β ladder)trans-86.9123.9169.6-171.4152.1000109.7L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 3.14Å; V11-L106 HydrophobicContact CG1-CD2 4.18Å; V11-L106 HydrophobicContact CG2-CB 4.43Å; C12-L106 PolarHBondContact N-O 2.93Å; L106-T108 HydrophobicContact CD2-CG2 4.34Å; L106-Y135 WeakPolarHBondContact CA-O 3.4Å; L106-Y135 HydrophobicContact CD1-CD1 4.42Å; L106-A137 HydrophobicContact CD2-CB 4.22Å; L106-L142 HydrophobicContact CD2-CD1 4.16Å; L106-L348 HydrophobicContact CD1-CD2 4.23Å; L106-A349 HydrophobicContact CB-CB 4.47Å; L106-A349 HydrophobicContact CD1-CB 4.06Å; L106-F354 HydrophobicContact CD1-CE1 4.15Å; L106-F354 HydrophobicContact CD1-CZ 4.05Å; L106-W358 HydrophobicContact CB-CH2 3.9Å; L106-W358 HydrophobicContact CB-CZ3 4.28Å
107L98.3Very high95.5Very high0 Ų044.6 Ų44.60%022%0.224CC..EExtended strand (participates in β ladder)trans-111.9152.3175.9-71.6154.2000110.6C12 N14 W88 T105 M121 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 3.77Å; C12-L107 WeakPolarHBondContact O-CA 3.49Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.27Å; W88-L107 HydrophobicContact CZ2-CD2 4.42Å; T105-L107 HydrophobicContact CG2-CD1 4.44Å; T105-L107 HydrophobicContact CG2-CD2 4.49Å; T105-L107 HydrophobicContact CG2-CG 4.12Å; L107-M121 HydrophobicContact CB-SD 3.85Å; L107-M121 HydrophobicContact CD1-CG 3.95Å; L107-M121 HydrophobicContact CD1-SD 3.88Å; L107-M121 HydrophobicContact CG-SD 4.33Å; L107-M125 HydrophobicContact CD1-CE 3.59Å; L107-M125 HydrophobicContact CD1-CG 3.5Å; L107-M125 VanDerWaalsContact CD1-CG 3.5Å; L107-M125 HydrophobicContact CD1-SD 3.87Å; L107-M125 HydrophobicContact CD2-CE 3.85Å; L107-M125 HydrophobicContact CG-CE 4.32Å; L107-M134 HydrophobicContact CD1-CE 3.92Å; L107-Y135 PolarHBondContact N-O 3.26Å; L107-V136 CarbonylContact O-C 3.55Å; L107-V136 WeakPolarHBondContact O-CA 3.4Å; L107-A137 PolarHBondContact O-N 3.31Å
108T97.3Very high95.4Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-107.2150.5173.177.40000111.6C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 2.87Å; C12-T108 VanDerWaalsContact O-N 3.14Å; D13-T108 VanDerWaalsContact CA-OG1 3.3Å; D13-T108 WeakPolarHBondContact CA-OG1 3.34Å; D13-T108 HydrophobicContact CB-CG2 4.08Å; D13-T108 PolarHBondContact OD1-OG1 2.88Å; N14-T108 PolarHBondContact N-OG1 2.8Å; N14-T108 PolarHBondContact ND2-O 2.98Å; L106-T108 HydrophobicContact CD2-CG2 4.34Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.4Å; T108-Q139 PolarHBondContact OG1-NE2 2.95Å; T108-L142 HydrophobicContact CG2-CD1 3.67Å; T108-V341 HydrophobicContact CG2-CG1 3.85Å
109E95Very high95.4Very high8 Ų838 Ų384%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-136.5158.6169.665.7167.8-14700112.1N113 R118 V136 A137 Q139E109-N113 HydrophobicContact CB-CB 4.39Å; E109-N113 HydrophobicContact CG-CB 4.44Å; E109-N113 PolarHBondContact OE2-ND2 3.14Å; E109-R118 VanDerWaalsContact CD-NE 3.27Å; E109-R118 IonicContact OE1-CZ 3.89Å; E109-R118 IonicContact OE1-NE 3.45Å; E109-R118 PolarHBondContact OE1-NE 2.84Å; E109-R118 IonicContact OE1-NH2 3.39Å; E109-R118 PolarHBondContact OE1-NH2 2.84Å; E109-R118 WeakPolarHBondContact OE2-CG 3.4Å; E109-R118 IonicContact OE2-CZ 3.78Å; E109-R118 IonicContact OE2-NE 3.06Å; E109-R118 PolarHBondContact OE2-NE 2.81Å; E109-V136 HydrophobicContact CB-CG1 4.07Å; E109-V136 HydrophobicContact CG-CG1 3.6Å; E109-A137 PolarHBondContact N-O 3.46Å; E109-Q139 VanDerWaalsContact O-CG 3.29Å; E109-Q139 WeakPolarHBondContact O-CG 3.32Å; E109-Q139 PolarHBondContact O-N 2.83Å; E109-Q139 VanDerWaalsContact O-N 3.16Å
110A92.6Very high95.5Very high1 Ų140.3 Ų40.31%0.00821%0.205CC..  trans-68.2150.5173.900000111.3G76 N113G76-A110 WeakPolarHBondContact O-CB 3.41Å; A110-N113 WeakPolarHBondContact O-CB 3.28Å; A110-N113 PolarHBondContact O-N 2.92Å
111P90.2Very high95.5Very high1 Ų140.5 Ų40.51%0.00621%0.206CC..THydrogen-bonded Turntrans-55.1144.5170-20.831.3000111.9N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 2.75Å; P111-I138 HydrophobicContact CB-CG2 4.44Å; P111-I138 HydrophobicContact CG-CG2 4.05Å; P111-H163 HydrophobicContact CG-CB 4.12Å; P111-V165 HydrophobicContact CB-CG2 3.97Å; P111-V165 HydrophobicContact CG-CG2 3.46Å; P111-V165 VanDerWaalsContact CG-CG2 3.46Å; P111-I177 HydrophobicContact CB-CD1 4.13Å; P111-I177 HydrophobicContact CB-CG2 4.08Å
112L87.8Confident95.5Very high100 Ų10036 Ų3652%0.52419%0.185SC..THydrogen-bonded Turntrans58.626.8-179.3-52.4175.1000114.4P174 I177L112-P174 HydrophobicContact CD2-CB 4.49Å; L112-I177 HydrophobicContact CD1-CB 4.18Å; L112-I177 HydrophobicContact CD1-CG2 3.9Å; L112-I177 HydrophobicContact CD2-CD1 4.09Å; L112-I177 HydrophobicContact CG-CB 4.43Å; L112-I177 HydrophobicContact CG-CD1 4.18Å; L112-I177 HydrophobicContact CG-CG2 4.14Å
113N90Very high95.6Very high15 Ų1533 Ų338%0.0817%0.171CC..  trans-56.9135.9172.4-169.832.1000110.7E109 A110 P111 K115E109-N113 HydrophobicContact CB-CB 4.39Å; E109-N113 HydrophobicContact CG-CB 4.44Å; E109-N113 PolarHBondContact OE2-ND2 3.14Å; A110-N113 WeakPolarHBondContact O-CB 3.28Å; A110-N113 PolarHBondContact O-N 2.92Å; P111-N113 PolarHBondContact O-N 2.75Å; N113-K115 PolarHBondContact O-N 2.91Å
114P93.1Very high95.6Very high63 Ų6332.1 Ų32.141%0.40917%0.167SC..  trans-54.3135.3175.4-29.136.3000112A116 N117 R118P114-A116 PolarHBondContact O-N 2.97Å; P114-N117 HydrophobicContact CB-CB 4.46Å; P114-N117 WeakPolarHBondContact O-CB 3.31Å; P114-N117 PolarHBondContact O-N 3Å; P114-R118 PolarHBondContact O-N 2.93Å
115K94.3Very high95.7Very high147 Ų14731.3 Ų31.364%0.63916%0.162SC*.Hα-helixtrans-52.5-44-179.9-73.2-170.6177.8-174.60112.6N113 N117 R118 E119N113-K115 PolarHBondContact O-N 2.91Å; K115-N117 PolarHBondContact O-N 3.46Å; K115-R118 WeakPolarHBondContact O-CB 3.36Å; K115-R118 PolarHBondContact O-N 2.88Å; K115-E119 PolarHBondContact O-N 3.48Å
116A96.2Very high95.7Very high61 Ų6131.3 Ų31.350%0.50416%0.162SC..Hα-helixtrans-58.5-33177.100000113.3P114 K120P114-A116 PolarHBondContact O-N 2.97Å; A116-K120 VanDerWaalsContact O-CB 3.3Å; A116-K120 WeakPolarHBondContact O-CB 3.44Å; A116-K120 PolarHBondContact O-N 2.93Å
117N96Very high95.7Very high26 Ų2636.1 Ų36.114%0.13918%0.184CC..Hα-helixtrans-71.2-40.7176.3-73.85.3000111.2I77 W81 P114 K115 E119 K120 M121I77-N117 VanDerWaalsContact CG2-ND2 3.29Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.38Å; W81-N117 HydrophobicContact CH2-CB 4.22Å; W81-N117 WeakPolarHBondContact CH2-O 3.25Å; W81-N117 HydrophobicContact CZ2-CB 3.84Å; P114-N117 HydrophobicContact CB-CB 4.46Å; P114-N117 WeakPolarHBondContact O-CB 3.31Å; P114-N117 PolarHBondContact O-N 3Å; K115-N117 PolarHBondContact O-N 3.46Å; N117-E119 VanDerWaalsContact C-N 3.33Å; N117-K120 PolarHBondContact O-N 3.06Å; N117-M121 WeakPolarHBondContact O-CB 3.45Å; N117-M121 PolarHBondContact O-N 3.3Å
118R95.9Very high95.7Very high32 Ų3239.2 Ų39.212%0.12120%0.203CC..Hα-helixtrans-62.5-42.8175.5-163.6-175.7-62.2168.70.3111.3E109 P114 K115 T122 V136 V372 C376E109-R118 VanDerWaalsContact CD-NE 3.27Å; E109-R118 IonicContact OE1-CZ 3.89Å; E109-R118 IonicContact OE1-NE 3.45Å; E109-R118 PolarHBondContact OE1-NE 2.84Å; E109-R118 IonicContact OE1-NH2 3.39Å; E109-R118 PolarHBondContact OE1-NH2 2.84Å; E109-R118 WeakPolarHBondContact OE2-CG 3.4Å; E109-R118 IonicContact OE2-CZ 3.78Å; E109-R118 IonicContact OE2-NE 3.06Å; E109-R118 PolarHBondContact OE2-NE 2.81Å; P114-R118 PolarHBondContact O-N 2.93Å; K115-R118 WeakPolarHBondContact O-CB 3.36Å; K115-R118 PolarHBondContact O-N 2.88Å; R118-T122 WeakPolarHBondContact O-CB 3.17Å; R118-T122 PolarHBondContact O-N 3.34Å; R118-T122 PolarHBondContact O-OG1 3.45Å; R118-V136 HydrophobicContact CG-CB 4.43Å; R118-V136 HydrophobicContact CG-CG1 4.21Å; R118-V136 HydrophobicContact CG-CG2 4.41Å; R118-V372 HydrophobicContact CB-CG1 4.4Å; R118-V372 HydrophobicContact CG-CB 4.48Å; R118-V372 HydrophobicContact CG-CG1 3.83Å; R118-V372 HydrophobicContact CG-CG2 3.79Å; R118-C376 PolarHBondContact NH1-O 3.45Å
119E97.7Very high95.7Very high63 Ų6339.6 Ų39.629%0.29421%0.205SC..Hα-helixtrans-62.2-43.7172.9-70.3178.5162.500111.7K115 N117 M121 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 3.48Å; N117-E119 VanDerWaalsContact C-N 3.33Å; E119-M121 PolarHBondContact O-N 2.79Å; E119-T122 WeakPolarHBondContact O-CB 3.34Å; E119-T122 PolarHBondContact O-N 2.92Å; E119-Q123 WeakPolarHBondContact O-CB 3.5Å; E119-Q123 PolarHBondContact O-N 3.19Å; E119-P369 HydrophobicContact CB-CB 3.77Å; E119-P369 HydrophobicContact CG-CB 4.09Å; E119-V372 HydrophobicContact CG-CG1 4.39Å; E119-H373 WeakPolarHBondContact CG-NE2 3.42Å; E119-H373 IonicContact OE1-CD2 2.79Å; E119-H373 PolarHBondContact OE1-CD2 3.33Å; E119-H373 IonicContact OE1-NE2 2.9Å; E119-H373 PolarHBondContact OE1-NE2 3.35Å
120K98Very high95.9Very high75 Ų7543.6 Ų43.633%0.32623%0.227SC..Hα-helixtrans-66.2-39.3179.9-173.959.8-178.3174.30112.9W81 A116 N117 T122 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.36Å; W81-K120 HydrophobicContact CD2-CG 3.52Å; W81-K120 HydrophobicContact CE3-CG 3.8Å; W81-K120 HydrophobicContact CG-CG 4.04Å; W81-K120 HydrophobicContact CH2-CB 3.87Å; W81-K120 HydrophobicContact CH2-CG 4.06Å; W81-K120 HydrophobicContact CZ2-CB 3.72Å; W81-K120 HydrophobicContact CZ2-CG 3.82Å; W81-K120 HydrophobicContact CZ3-CB 4.24Å; W81-K120 HydrophobicContact CZ3-CG 4.03Å; A116-K120 VanDerWaalsContact O-CB 3.3Å; A116-K120 WeakPolarHBondContact O-CB 3.44Å; A116-K120 PolarHBondContact O-N 2.93Å; N117-K120 PolarHBondContact O-N 3.06Å; K120-T122 VanDerWaalsContact C-N 3.33Å; K120-Q123 WeakPolarHBondContact O-CB 3.44Å; K120-Q123 PolarHBondContact O-N 3.36Å; K120-I124 HydrophobicContact CD-CD1 4.48Å; K120-I124 HydrophobicContact CG-CD1 4.22Å; K120-I124 WeakPolarHBondContact O-CG1 3.48Å; K120-I124 PolarHBondContact O-N 2.9Å
121M97.1Very high96.1Very high3 Ų343.6 Ų43.62%0.01523%0.226CC..Hα-helixtrans-60.2-45.4171.7-179.8-175.6-58.600110.9I78 W81 W88 L107 N117 E119 Q123 I124 M125 V136I78-M121 HydrophobicContact CD1-CE 3.73Å; W81-M121 HydrophobicContact CH2-CB 4.11Å; W81-M121 HydrophobicContact CZ3-CB 4.05Å; W88-M121 HydrophobicContact CH2-CB 4.31Å; W88-M121 HydrophobicContact CH2-CE 4.44Å; W88-M121 HydrophobicContact CH2-CG 3.76Å; W88-M121 HydrophobicContact CZ2-CE 4.24Å; W88-M121 HydrophobicContact CZ2-CG 4.02Å; W88-M121 HydrophobicContact CZ2-SD 4.44Å; L107-M121 HydrophobicContact CB-SD 3.85Å; L107-M121 HydrophobicContact CD1-CG 3.95Å; L107-M121 HydrophobicContact CD1-SD 3.88Å; L107-M121 HydrophobicContact CG-SD 4.33Å; N117-M121 WeakPolarHBondContact O-CB 3.45Å; N117-M121 PolarHBondContact O-N 3.3Å; E119-M121 PolarHBondContact O-N 2.79Å; M121-Q123 PolarHBondContact O-N 2.62Å; M121-I124 PolarHBondContact O-N 2.69Å; M121-M125 WeakPolarHBondContact O-CG 3.09Å; M121-M125 PolarHBondContact O-N 2.88Å; M121-M125 VanDerWaalsContact O-N 3.08Å; M121-V136 HydrophobicContact SD-CG1 4.48Å; M121-V136 HydrophobicContact SD-CG2 4.14Å
122T97.9Very high96.5Very high0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-60.7-45.5177.5-55.50000111.3R118 E119 K120 I124 M125 F126 M134 Y364 V372R118-T122 WeakPolarHBondContact O-CB 3.17Å; R118-T122 PolarHBondContact O-N 3.34Å; R118-T122 PolarHBondContact O-OG1 3.45Å; E119-T122 WeakPolarHBondContact O-CB 3.34Å; E119-T122 PolarHBondContact O-N 2.92Å; K120-T122 VanDerWaalsContact C-N 3.33Å; T122-I124 PolarHBondContact O-N 2.7Å; T122-M125 PolarHBondContact O-N 3.1Å; T122-F126 HydrophobicContact CG2-CD2 3.76Å; T122-F126 HydrophobicContact CG2-CE2 3.81Å; T122-F126 WeakPolarHBondContact O-CD2 3.49Å; T122-F126 PolarHBondContact O-N 3.22Å; T122-F126 VanDerWaalsContact O-N 3.13Å; T122-M134 HydrophobicContact CG2-CE 4.38Å; T122-M134 HydrophobicContact CG2-SD 3.9Å; T122-Y364 HydrophobicContact CG2-CD2 3.88Å; T122-Y364 HydrophobicContact CG2-CE2 3.97Å; T122-V372 HydrophobicContact CG2-CB 4.46Å
123Q98.3Very high97Very high57 Ų5741.7 Ų41.727%0.26622%0.221SC..Hα-helixtrans-56.8-51.3176.3-171.7-167.95.800111.5E119 K120 M121 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.5Å; E119-Q123 PolarHBondContact O-N 3.19Å; K120-Q123 WeakPolarHBondContact O-CB 3.44Å; K120-Q123 PolarHBondContact O-N 3.36Å; M121-Q123 PolarHBondContact O-N 2.62Å; Q123-M125 VanDerWaalsContact C-N 3.32Å; Q123-M125 PolarHBondContact O-N 3.09Å; Q123-F126 PolarHBondContact O-N 3.28Å; Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.4Å; Q123-E127 VanDerWaalsContact CG-OE2 3.23Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.29Å; Q123-E127 PolarHBondContact NE2-OE2 3.14Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.08Å; Q123-E127 WeakPolarHBondContact O-CG 3.33Å; Q123-E127 PolarHBondContact O-N 3.21Å; Q123-P369 HydrophobicContact CB-CG 4.4Å
124I98.4Very high97.3Very high6 Ų641 Ų413%0.03122%0.218CC..Hα-helixtrans-62.2-41.5-177.6-69.4165.4000111.1W81 E85 W88 K120 M121 T122 T128 F129W81-I124 HydrophobicContact CB-CD1 4.39Å; W81-I124 HydrophobicContact CD2-CD1 4.21Å; W81-I124 HydrophobicContact CE3-CD1 3.42Å; W81-I124 VanDerWaalsContact CE3-CD1 3.42Å; W81-I124 HydrophobicContact CZ3-CD1 4.05Å; E85-I124 HydrophobicContact CG-CG2 4.36Å; W88-I124 HydrophobicContact CE3-CG2 4.09Å; W88-I124 HydrophobicContact CZ3-CB 4.42Å; W88-I124 HydrophobicContact CZ3-CD1 4.19Å; W88-I124 HydrophobicContact CZ3-CG2 4.01Å; K120-I124 HydrophobicContact CD-CD1 4.48Å; K120-I124 HydrophobicContact CG-CD1 4.22Å; K120-I124 WeakPolarHBondContact O-CG1 3.48Å; K120-I124 PolarHBondContact O-N 2.9Å; M121-I124 PolarHBondContact O-N 2.69Å; T122-I124 PolarHBondContact O-N 2.7Å; I124-T128 WeakPolarHBondContact O-CA 3.43Å; I124-T128 WeakPolarHBondContact O-CB 3.49Å; I124-T128 PolarHBondContact O-N 3.48Å; I124-F129 HydrophobicContact CG2-CD2 3.88Å; I124-F129 HydrophobicContact CG2-CE2 3.7Å; I124-F129 PolarHBondContact O-N 3.05Å; I124-F129 VanDerWaalsContact O-N 3.11Å
125M98.5Very high97.6Very high0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-63.7-43.2-179.9-72.4-64.2161.600112.5W88 F92 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.21Å; W88-M125 HydrophobicContact CD2-CE 3.29Å; W88-M125 VanDerWaalsContact CE2-CE 3.48Å; W88-M125 HydrophobicContact CE3-CE 3.65Å; W88-M125 HydrophobicContact CG-CE 3.56Å; W88-M125 HydrophobicContact CH2-CE 4.31Å; W88-M125 HydrophobicContact CZ2-CE 4.01Å; W88-M125 HydrophobicContact CZ3-CE 4.14Å; F92-M125 HydrophobicContact CE2-CE 4.2Å; F92-M125 HydrophobicContact CE2-SD 4.17Å; F92-M125 HydrophobicContact CZ-CE 4.19Å; F92-M125 HydrophobicContact CZ-SD 4.24Å; L107-M125 HydrophobicContact CD1-CE 3.59Å; L107-M125 HydrophobicContact CD1-CG 3.5Å; L107-M125 VanDerWaalsContact CD1-CG 3.5Å; L107-M125 HydrophobicContact CD1-SD 3.87Å; L107-M125 HydrophobicContact CD2-CE 3.85Å; L107-M125 HydrophobicContact CG-CE 4.32Å; M121-M125 WeakPolarHBondContact O-CG 3.09Å; M121-M125 PolarHBondContact O-N 2.88Å; M121-M125 VanDerWaalsContact O-N 3.08Å; T122-M125 PolarHBondContact O-N 3.1Å; Q123-M125 VanDerWaalsContact C-N 3.32Å; Q123-M125 PolarHBondContact O-N 3.09Å; M125-F129 HydrophobicContact CE-CD2 4.37Å; M125-F129 CarbonylContact O-C 3.49Å; M125-F129 WeakPolarHBondContact O-CB 3.34Å; M125-F129 HydrophobicContact SD-CD2 3.99Å; M125-N130 PolarHBondContact O-N 2.99Å; M125-V131 HydrophobicContact CB-CG2 3.94Å; M125-V131 PolarHBondContact O-N 2.93Å; M125-V131 VanDerWaalsContact O-N 3.13Å; M125-V131 HydrophobicContact SD-CG1 4.4Å; M125-M134 HydrophobicContact CB-CE 4.36Å; M125-M134 HydrophobicContact CB-SD 3.49Å; M125-M134 WeakPolarHBondContact CB-SD 3.38Å; M125-M134 HydrophobicContact CG-CE 4.3Å; M125-M134 HydrophobicContact CG-SD 4.06Å
126F98.6Very high97.7Very high0 Ų032.2 Ų32.20%017%0.173CC..Hα-helixtrans-83-34.5-179.6-75.4-58.6000114.6T122 Q123 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.76Å; T122-F126 HydrophobicContact CG2-CE2 3.81Å; T122-F126 WeakPolarHBondContact O-CD2 3.49Å; T122-F126 PolarHBondContact O-N 3.22Å; T122-F126 VanDerWaalsContact O-N 3.13Å; Q123-F126 PolarHBondContact O-N 3.28Å; F126-N130 WeakPolarHBondContact O-CA 3.43Å; F126-N130 PolarHBondContact O-OD1 2.92Å; F126-V131 HydrophobicContact CD1-CG2 3.86Å; F126-V131 VanDerWaalsContact CD1-O 3.3Å; F126-V131 WeakPolarHBondContact CD1-O 3.22Å; F126-V131 HydrophobicContact CE1-CG2 4Å; F126-V131 WeakPolarHBondContact CE1-O 3.15Å; F126-M134 HydrophobicContact CD2-CG 4.3Å; F126-M134 HydrophobicContact CD2-SD 3.91Å; F126-M134 HydrophobicContact CE1-CG 4.32Å; F126-M134 HydrophobicContact CE2-CG 3.52Å; F126-M134 HydrophobicContact CE2-SD 3.67Å; F126-M134 HydrophobicContact CZ-CG 3.56Å; F126-M134 HydrophobicContact CZ-SD 4.25Å; F126-I359 HydrophobicContact CE2-CG2 3.89Å; F126-I359 HydrophobicContact CZ-CB 4.29Å; F126-I359 HydrophobicContact CZ-CG2 3.86Å; F126-I359 WeakPolarHBondContact CZ-O 3.36Å; F126-K361 HydrophobicContact CB-CD 4.07Å; F126-K361 HydrophobicContact CD1-CB 4.3Å; F126-K361 HydrophobicContact CD1-CD 3.46Å; F126-K361 VanDerWaalsContact CD1-CD 3.46Å; F126-K361 HydrophobicContact CD1-CG 4.5Å; F126-K361 HydrophobicContact CE1-CB 4.2Å; F126-K361 HydrophobicContact CE1-CD 4.19Å; F126-K361 HydrophobicContact CG-CD 4.1Å; F126-K361 WeakPolarHBondContact O-CE 3.36Å; F126-Y364 HydrophobicContact CB-CD1 3.79Å; F126-Y364 HydrophobicContact CB-CD2 4.34Å; F126-Y364 HydrophobicContact CB-CE1 3.85Å; F126-Y364 HydrophobicContact CB-CE2 4.37Å; F126-Y364 HydrophobicContact CB-CG 4.04Å; F126-Y364 HydrophobicContact CD2-CD1 4.04Å; F126-Y364 AromaticContact CD2-CD2 3.29Å; F126-Y364 HydrophobicContact CD2-CD2 3.29Å; F126-Y364 AromaticContact CD2-CE2 3.86Å; F126-Y364 HydrophobicContact CD2-CE2 3.86Å; F126-Y364 AromaticContact CD2-CG 3.38Å; F126-Y364 HydrophobicContact CD2-CG 3.38Å; F126-Y364 AromaticContact CE2-CD2 3.78Å; F126-Y364 HydrophobicContact CE2-CD2 3.78Å; F126-Y364 AromaticContact CE2-CG 3.84Å; F126-Y364 HydrophobicContact CE2-CG 3.84Å; F126-Y364 HydrophobicContact CG-CD1 4.01Å; F126-Y364 HydrophobicContact CG-CD2 4.09Å; F126-Y364 HydrophobicContact CG-CE1 4.5Å; F126-Y364 AromaticContact CG-CG 3.79Å; F126-Y364 HydrophobicContact CG-CG 3.79Å
127E98.4Very high97.7Very high100 Ų10029.6 Ų29.647%0.46715%0.151SC..Hα-helixtrans-94.6-33.4-174-63.1-179-173.700113.2Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.13Å; Q123-E127 WeakPolarHBondContact CG-OE1 3.4Å; Q123-E127 VanDerWaalsContact CG-OE2 3.23Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.29Å; Q123-E127 PolarHBondContact NE2-OE2 3.14Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.08Å; Q123-E127 WeakPolarHBondContact O-CG 3.33Å; Q123-E127 PolarHBondContact O-N 3.21Å; E127-Y364 HydrophobicContact CG-CE1 4.12Å; E127-Y364 PolarHBondContact OE1-OH 2.96Å
128T98.2Very high97.7Very high66 Ų6629 Ų2941%0.40515%0.148SC..THydrogen-bonded Turntrans-96-49.3179.3-52.80000111.3E85 I124E85-T128 HydrophobicContact CG-CG2 4.35Å; I124-T128 WeakPolarHBondContact O-CA 3.43Å; I124-T128 WeakPolarHBondContact O-CB 3.49Å; I124-T128 PolarHBondContact O-N 3.48Å
129F98.2Very high97.7Very high7 Ų728.3 Ų28.33%0.03115%0.146CC..SBendtrans-91.7-7.2-176.9-66.9-69.8000114.1E85 W88 H89 F92 Y93 P100 I124 M125 V131E85-F129 HydrophobicContact CG-CE2 4.06Å; E85-F129 HydrophobicContact CG-CZ 3.94Å; W88-F129 HydrophobicContact CB-CE2 3.76Å; W88-F129 HydrophobicContact CB-CZ 3.69Å; W88-F129 HydrophobicContact CE3-CE2 4.18Å; H89-F129 HydrophobicContact CB-CE1 4.1Å; H89-F129 HydrophobicContact CB-CZ 4.24Å; F92-F129 AromaticContact CD2-CD1 3.96Å; F92-F129 HydrophobicContact CD2-CD1 3.96Å; F92-F129 HydrophobicContact CD2-CE1 4.07Å; F92-F129 HydrophobicContact CD2-CG 4.38Å; F92-F129 HydrophobicContact CE2-CD1 4.23Å; F92-F129 HydrophobicContact CE2-CD2 4.39Å; F92-F129 HydrophobicContact CE2-CE1 4.45Å; F92-F129 HydrophobicContact CE2-CG 4.2Å; Y93-F129 HydrophobicContact CE2-CD1 4.41Å; Y93-F129 HydrophobicContact CE2-CE1 4.34Å; P100-F129 HydrophobicContact CB-CB 4.26Å; P100-F129 HydrophobicContact CG-CB 4.2Å; P100-F129 HydrophobicContact CG-CD1 4.03Å; I124-F129 HydrophobicContact CG2-CD2 3.88Å; I124-F129 HydrophobicContact CG2-CE2 3.7Å; I124-F129 PolarHBondContact O-N 3.05Å; I124-F129 VanDerWaalsContact O-N 3.11Å; M125-F129 HydrophobicContact CE-CD2 4.37Å; M125-F129 CarbonylContact O-C 3.49Å; M125-F129 WeakPolarHBondContact O-CB 3.34Å; M125-F129 HydrophobicContact SD-CD2 3.99Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 3.34Å; F129-V131 VanDerWaalsContact O-N 3.12Å
130N98.1Very high97.6Very high93 Ų9325.3 Ų25.350%0.49713%0.132SC..  trans50.335.3178.2-64-41000114.2E101 M125 F126E101-N130 WeakPolarHBondContact CA-O 3.48Å; E101-N130 HydrophobicContact CB-CB 4.21Å; M125-N130 PolarHBondContact O-N 2.99Å; F126-N130 WeakPolarHBondContact O-CA 3.43Å; F126-N130 PolarHBondContact O-OD1 2.92Å
131V98.2Very high97.5Very high0 Ų022.5 Ų22.50%012%0.121CC..  trans-60.2141179.9-57.40000110.4P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.19Å; M125-V131 HydrophobicContact CB-CG2 3.94Å; M125-V131 PolarHBondContact O-N 2.93Å; M125-V131 VanDerWaalsContact O-N 3.13Å; M125-V131 HydrophobicContact SD-CG1 4.4Å; F126-V131 HydrophobicContact CD1-CG2 3.86Å; F126-V131 VanDerWaalsContact CD1-O 3.3Å; F126-V131 WeakPolarHBondContact CD1-O 3.22Å; F126-V131 HydrophobicContact CE1-CG2 4Å; F126-V131 WeakPolarHBondContact CE1-O 3.15Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 3.34Å; F129-V131 VanDerWaalsContact O-N 3.12Å; V131-A133 VanDerWaalsContact C-N 3.3Å; V131-A133 PolarHBondContact O-N 3.08Å; V131-M134 HydrophobicContact CG2-CB 4.11Å
132P97.4Very high97.5Very high49 Ų4922.4 Ų22.432%0.31812%0.121SC..SBendtrans-69.6-32.2-178.227.2-33.9000111.7P100 E101 H103 K361P100-P132 WeakPolarHBondContact O-CD 3.46Å; E101-P132 WeakPolarHBondContact O-CD 3.39Å; H103-P132 WeakPolarHBondContact O-CD 3.45Å; P132-K361 PolarHBondContact O-N 2.82Å
133A97.6Very high97.4Very high13 Ų1322.4 Ų22.411%0.10712%0.121CC..EExtended strand (participates in β ladder)trans-155.9156.817600000111.3P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.58Å; P104-A133 VanDerWaalsContact CA-O 3.29Å; P104-A133 WeakPolarHBondContact CA-O 3.49Å; P104-A133 HydrophobicContact CB-CB 4.27Å; T105-A133 PolarHBondContact N-O 2.84Å; V131-A133 VanDerWaalsContact C-N 3.3Å; V131-A133 PolarHBondContact O-N 3.08Å; A133-W358 HydrophobicContact CB-CB 4.11Å; A133-W358 HydrophobicContact CB-CE3 4.49Å; A133-W358 HydrophobicContact CB-CG 4.46Å; A133-I359 CarbonylContact C-O 3.6Å; A133-I359 WeakPolarHBondContact CA-O 3.44Å; A133-I359 WeakPolarHBondContact CB-O 3.36Å
134M97.9Very high97.3Very high0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-148.9163.6174.567.1172.6-76.900113.5T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.45Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.44Å; L107-M134 HydrophobicContact CD1-CE 3.92Å; T122-M134 HydrophobicContact CG2-CE 4.38Å; T122-M134 HydrophobicContact CG2-SD 3.9Å; M125-M134 HydrophobicContact CB-CE 4.36Å; M125-M134 HydrophobicContact CB-SD 3.49Å; M125-M134 WeakPolarHBondContact CB-SD 3.38Å; M125-M134 HydrophobicContact CG-CE 4.3Å; M125-M134 HydrophobicContact CG-SD 4.06Å; F126-M134 HydrophobicContact CD2-CG 4.3Å; F126-M134 HydrophobicContact CD2-SD 3.91Å; F126-M134 HydrophobicContact CE1-CG 4.32Å; F126-M134 HydrophobicContact CE2-CG 3.52Å; F126-M134 HydrophobicContact CE2-SD 3.67Å; F126-M134 HydrophobicContact CZ-CG 3.56Å; F126-M134 HydrophobicContact CZ-SD 4.25Å; V131-M134 HydrophobicContact CG2-CB 4.11Å; M134-V136 HydrophobicContact CE-CG2 3.56Å; M134-I359 PolarHBondContact N-O 3.32Å; M134-I359 WeakPolarHBondContact O-CB 3.33Å; M134-I359 PolarHBondContact O-N 2.88Å
135Y97.9Very high97Very high21 Ų2123.2 Ų23.28%0.08212%0.122CC..EExtended strand (participates in β ladder)trans-144.7144.1172.5-172.9-93.3000109.7T105 L106 L107 A137 F354 M357 C376T105-Y135 PolarHBondContact O-N 3.12Å; T105-Y135 VanDerWaalsContact O-N 3.12Å; L106-Y135 WeakPolarHBondContact CA-O 3.4Å; L106-Y135 HydrophobicContact CD1-CD1 4.42Å; L107-Y135 PolarHBondContact N-O 3.26Å; Y135-A137 HydrophobicContact CD1-CB 4.08Å; Y135-A137 HydrophobicContact CE1-CB 3.87Å; Y135-F354 HydrophobicContact CD1-CE2 4.11Å; Y135-F354 AromaticContact CD1-CZ 3.53Å; Y135-F354 HydrophobicContact CD1-CZ 3.53Å; Y135-F354 HydrophobicContact CD2-CE2 4.27Å; Y135-F354 AromaticContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CE1-CE2 4.09Å; Y135-F354 AromaticContact CE1-CZ 3.99Å; Y135-F354 HydrophobicContact CE1-CZ 3.99Å; Y135-F354 HydrophobicContact CE2-CE2 4.26Å; Y135-F354 HydrophobicContact CE2-CZ 4.33Å; Y135-F354 HydrophobicContact CG-CE1 4.37Å; Y135-F354 HydrophobicContact CG-CE2 4.19Å; Y135-F354 AromaticContact CG-CZ 3.47Å; Y135-F354 HydrophobicContact CG-CZ 3.47Å; Y135-F354 VanDerWaalsContact CG-CZ 3.47Å; Y135-M357 HydrophobicContact CD2-CB 4.36Å; Y135-M357 WeakPolarHBondContact CD2-O 3.47Å; Y135-M357 HydrophobicContact CE2-CB 4.17Å; Y135-M357 HydrophobicContact CE2-CE 4.28Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.47Å; Y135-C376 HydrophobicContact CE2-CB 4.22Å; Y135-C376 WeakPolarHBondContact CE2-SG 3.44Å
136V97.5Very high96.9Very high4 Ų424.5 Ų24.52%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-112.6120.3175.2-177.40000109.3L107 E109 R118 M121 M134 V372 C376L107-V136 CarbonylContact O-C 3.55Å; L107-V136 WeakPolarHBondContact O-CA 3.4Å; E109-V136 HydrophobicContact CB-CG1 4.07Å; E109-V136 HydrophobicContact CG-CG1 3.6Å; R118-V136 HydrophobicContact CG-CB 4.43Å; R118-V136 HydrophobicContact CG-CG1 4.21Å; R118-V136 HydrophobicContact CG-CG2 4.41Å; M121-V136 HydrophobicContact SD-CG1 4.48Å; M121-V136 HydrophobicContact SD-CG2 4.14Å; M134-V136 HydrophobicContact CE-CG2 3.56Å; V136-V372 HydrophobicContact CB-CG2 4.3Å; V136-V372 HydrophobicContact CG2-CG2 4.02Å; V136-C376 HydrophobicContact CB-CB 4.48Å; V136-C376 PolarHBondContact N-SG 3.46Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 VanDerWaalsContact O-CB 3.28Å; V136-C376 WeakPolarHBondContact O-CB 3.28Å
137A96.3Very high96.6Very high6 Ų625.7 Ų25.75%0.0514%0.14CC..EExtended strand (participates in β ladder)trans-113145.2-178.800000112.2L106 L107 T108 E109 Y135 L142L106-A137 HydrophobicContact CD2-CB 4.22Å; L107-A137 PolarHBondContact O-N 3.31Å; T108-A137 VanDerWaalsContact CA-O 3.3Å; T108-A137 WeakPolarHBondContact CA-O 3.4Å; E109-A137 PolarHBondContact N-O 3.46Å; Y135-A137 HydrophobicContact CD1-CB 4.08Å; Y135-A137 HydrophobicContact CE1-CB 3.87Å; A137-L142 HydrophobicContact CB-CD1 3.74Å; A137-L142 HydrophobicContact CB-CD2 3.8Å; A137-L142 HydrophobicContact CB-CG 3.83Å
138I95Very high96.4Very high15 Ų1524.3 Ų24.38%0.07715%0.153CC..EExtended strand (participates in β ladder)trans-74.9127.7173.2-61.1173.3000109.2P111 A140 V141 L142 A172 F377P111-I138 HydrophobicContact CB-CG2 4.44Å; P111-I138 HydrophobicContact CG-CG2 4.05Å; I138-A140 VanDerWaalsContact C-N 3.34Å; I138-A140 PolarHBondContact O-N 3.03Å; I138-V141 HydrophobicContact CB-CB 4.41Å; I138-V141 HydrophobicContact CB-CG2 4.04Å; I138-V141 HydrophobicContact CG2-CG2 4.28Å; I138-V141 PolarHBondContact O-N 3.47Å; I138-V141 VanDerWaalsContact O-N 3.09Å; I138-L142 PolarHBondContact O-N 3.24Å; I138-A172 HydrophobicContact CD1-CB 4.3Å; I138-F377 WeakPolarHBondContact CD1-OXT 3.05Å
139Q95.9Very high96.2Very high17 Ų1724.1 Ų24.18%0.07915%0.145CC..Hα-helixtrans-50.5-48.9-176.2-70.9167.6-15.600113.4N14 T108 E109 V141 L142 S143 V341N14-Q139 PolarHBondContact O-NE2 2.72Å; T108-Q139 PolarHBondContact OG1-NE2 2.95Å; E109-Q139 VanDerWaalsContact O-CG 3.29Å; E109-Q139 WeakPolarHBondContact O-CG 3.32Å; E109-Q139 PolarHBondContact O-N 2.83Å; E109-Q139 VanDerWaalsContact O-N 3.16Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 2.92Å; Q139-L142 WeakPolarHBondContact O-CB 3.37Å; Q139-L142 PolarHBondContact O-N 3.09Å; Q139-S143 PolarHBondContact O-N 3.39Å; Q139-V341 HydrophobicContact CB-CG1 3.95Å; Q139-V341 HydrophobicContact CB-CG2 4Å; Q139-V341 HydrophobicContact CG-CG1 3.87Å
140A95.3Very high96Very high0 Ų027.5 Ų27.50%017%0.167CC..Hα-helixtrans-63.7-36.6-178.700000113.7I138 L142 S143 L144 V154 V165I138-A140 VanDerWaalsContact C-N 3.34Å; I138-A140 PolarHBondContact O-N 3.03Å; A140-L142 VanDerWaalsContact C-N 3.34Å; A140-S143 PolarHBondContact O-N 3.15Å; A140-L144 PolarHBondContact O-N 2.76Å; A140-V154 HydrophobicContact CB-CB 3.99Å; A140-V154 HydrophobicContact CB-CG1 4.15Å; A140-V154 HydrophobicContact CB-CG2 4.47Å; A140-V154 WeakPolarHBondContact O-CG2 3.43Å; A140-V165 HydrophobicContact CB-CB 3.5Å; A140-V165 VanDerWaalsContact CB-CB 3.5Å; A140-V165 HydrophobicContact CB-CG1 3.91Å; A140-V165 HydrophobicContact CB-CG2 3.53Å
141V95.8Very high96Very high16 Ų1624 Ų2410%0.09715%0.148CC..Hα-helixtrans-64.7-42.9178175.30000109.8I138 Q139 L144 Y145 V167 A172I138-V141 HydrophobicContact CB-CB 4.41Å; I138-V141 HydrophobicContact CB-CG2 4.04Å; I138-V141 HydrophobicContact CG2-CG2 4.28Å; I138-V141 PolarHBondContact O-N 3.47Å; I138-V141 VanDerWaalsContact O-N 3.09Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 2.92Å; V141-L144 PolarHBondContact O-N 3.32Å; V141-Y145 HydrophobicContact CG1-CD2 3.83Å; V141-Y145 HydrophobicContact CG1-CE2 3.39Å; V141-Y145 VanDerWaalsContact O-CD2 3.28Å; V141-Y145 WeakPolarHBondContact O-CD2 3.08Å; V141-Y145 PolarHBondContact O-N 3.39Å; V141-Y145 VanDerWaalsContact O-N 3.07Å; V141-V167 HydrophobicContact CG2-CG2 4.09Å; V141-A172 HydrophobicContact CG2-CB 3.99Å
142L97Very high96Very high0 Ų024 Ų240%015%0.148CC..Hα-helixtrans-62-44.3174.6-61.4-177.5000112.1L106 T108 A137 I138 Q139 A140 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.16Å; T108-L142 HydrophobicContact CG2-CD1 3.67Å; A137-L142 HydrophobicContact CB-CD1 3.74Å; A137-L142 HydrophobicContact CB-CD2 3.8Å; A137-L142 HydrophobicContact CB-CG 3.83Å; I138-L142 PolarHBondContact O-N 3.24Å; Q139-L142 WeakPolarHBondContact O-CB 3.37Å; Q139-L142 PolarHBondContact O-N 3.09Å; A140-L142 VanDerWaalsContact C-N 3.34Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 PolarHBondContact O-N 3.05Å; L142-Y145 PolarHBondContact O-N 3.45Å; L142-Y145 VanDerWaalsContact O-N 3.16Å; L142-A146 PolarHBondContact O-N 2.89Å; L142-V341 WeakPolarHBondContact CB-O 3.39Å; L142-V341 HydrophobicContact CD1-CG1 4.19Å; L142-V341 WeakPolarHBondContact CD1-O 3.23Å; L142-G344 WeakPolarHBondContact O-CA 3.44Å; L142-L348 HydrophobicContact CD2-CB 4.33Å; L142-L348 HydrophobicContact CD2-CD2 3.64Å
143S96.9Very high96Very high0 Ų021.7 Ų21.70%013%0.133CC..Hα-helixtrans-60.6-35.1177-720000113.2Q139 A140 S147 S302 V341Q139-S143 PolarHBondContact O-N 3.39Å; A140-S143 PolarHBondContact O-N 3.15Å; S143-S147 PolarHBondContact O-N 3.03Å; S143-S302 WeakPolarHBondContact OG-CB 3.12Å; S143-S302 PolarHBondContact OG-OG 3.15Å; S143-V341 WeakPolarHBondContact OG-CG2 3.2Å; S143-V341 PolarHBondContact OG-N 2.94Å
144L95.7Very high96.1Very high2 Ų221.1 Ų21.11%0.0113%0.128CC..Hα-helixtrans-67.6-44.9174.8-167.163.2000111.5A140 V141 L142 A146 S147 R149 V154 V167 V300A140-L144 PolarHBondContact O-N 2.76Å; V141-L144 PolarHBondContact O-N 3.32Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 PolarHBondContact O-N 3.05Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.31Å; L144-S147 WeakPolarHBondContact O-CB 3.39Å; L144-S147 PolarHBondContact O-N 3.27Å; L144-S147 PolarHBondContact O-OG 2.84Å; L144-R149 CarbonylContact C-O 3.56Å; L144-R149 HydrophobicContact CD1-CB 3.8Å; L144-R149 HydrophobicContact CG-CB 3.95Å; L144-R149 PolarHBondContact O-N 2.93Å; L144-V154 HydrophobicContact CB-CG2 3.87Å; L144-V154 HydrophobicContact CD1-CG2 4.11Å; L144-V154 HydrophobicContact CG-CG2 4.47Å; L144-V167 HydrophobicContact CD2-CB 3.57Å; L144-V167 HydrophobicContact CD2-CG1 3.68Å; L144-V167 HydrophobicContact CD2-CG2 4.16Å; L144-V300 HydrophobicContact CD1-CB 4.37Å; L144-V300 HydrophobicContact CD1-CG2 3.66Å
145Y92.8Very high96.1Very high79 Ų7921.3 Ų21.331%0.3113%0.13SC..Hα-helixtrans-60.6-41.2176.3-76.2-48000112.5V141 L142 S147 G148 T150 G170V141-Y145 HydrophobicContact CG1-CD2 3.83Å; V141-Y145 HydrophobicContact CG1-CE2 3.39Å; V141-Y145 VanDerWaalsContact O-CD2 3.28Å; V141-Y145 WeakPolarHBondContact O-CD2 3.08Å; V141-Y145 PolarHBondContact O-N 3.39Å; V141-Y145 VanDerWaalsContact O-N 3.07Å; L142-Y145 PolarHBondContact O-N 3.45Å; L142-Y145 VanDerWaalsContact O-N 3.16Å; Y145-S147 PolarHBondContact O-N 2.59Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; Y145-G148 WeakPolarHBondContact O-CA 3.36Å; Y145-G148 PolarHBondContact O-N 2.88Å; Y145-T150 HydrophobicContact CE1-CG2 4.17Å; Y145-G170 WeakPolarHBondContact OH-CA 3.39Å
146A95.2Very high96.1Very high26 Ų2620.9 Ų20.922%0.21513%0.129CC..Hα-helixtrans-57.6-28.1174.600000112.6L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 2.89Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.31Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-S340 VanDerWaalsContact CB-O 3.3Å; A146-S340 WeakPolarHBondContact CB-O 3.35Å; A146-I343 HydrophobicContact CB-CB 4.27Å; A146-I343 HydrophobicContact CB-CG2 4.06Å
147S93.6Very high96.2Very high25 Ų2520.9 Ų20.918%0.17513%0.129CC..THydrogen-bonded Turntrans-83.9-0.6176.286.60000114.1S143 L144 Y145 R149S143-S147 PolarHBondContact O-N 3.03Å; L144-S147 WeakPolarHBondContact O-CB 3.39Å; L144-S147 PolarHBondContact O-N 3.27Å; L144-S147 PolarHBondContact O-OG 2.84Å; Y145-S147 PolarHBondContact O-N 2.59Å; Y145-S147 VanDerWaalsContact O-N 3.13Å; S147-R149 PolarHBondContact O-NH1 3.21Å; S147-R149 PolarHBondContact OG-NH1 2.96Å; S147-R149 VanDerWaalsContact OG-NH1 3.15Å
148G93.5Very high96.2Very high72 Ų7221.7 Ų21.774%0.74214%0.138SC*.THydrogen-bonded Turntrans74.132.6-176.400000113.6Y145 A146Y145-G148 WeakPolarHBondContact O-CA 3.36Å; Y145-G148 PolarHBondContact O-N 2.88Å; A146-G148 VanDerWaalsContact C-N 3.3Å
149R94.9Very high96.3Very high62 Ų6222.7 Ų22.723%0.23414%0.143CC..  trans-128.2150.2-177.7-68.7174.7-178.567.118.2111.4L144 S147 N298L144-R149 CarbonylContact C-O 3.56Å; L144-R149 HydrophobicContact CD1-CB 3.8Å; L144-R149 HydrophobicContact CG-CB 3.95Å; L144-R149 PolarHBondContact O-N 2.93Å; S147-R149 PolarHBondContact O-NH1 3.21Å; S147-R149 PolarHBondContact OG-NH1 2.96Å; S147-R149 VanDerWaalsContact OG-NH1 3.15Å; R149-N298 VanDerWaalsContact CD-OD1 3.3Å; R149-N298 WeakPolarHBondContact CD-OD1 3.21Å; R149-N298 PolarHBondContact NE-OD1 3.12Å
150T93.7Very high96.2Very high78 Ų7821.9 Ų21.948%0.47914%0.14SC..SBendtrans-110.7-20.6174.1520000112.3Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.17Å; T150-E169 PolarHBondContact O-N 2.83Å; T150-G170 PolarHBondContact O-N 3.06Å
151T97.4Very high96.2Very high19 Ų1922.3 Ų22.312%0.11714%0.142CC..SBendtrans-127.4133.1179.3-62.10000110.2V167 Y168 E169 D294T151-V167 WeakPolarHBondContact CA-O 3.26Å; T151-Y168 HydrophobicContact CG2-CD2 3.58Å; T151-Y168 HydrophobicContact CG2-CE2 4.12Å; T151-E169 PolarHBondContact OG1-N 3.1Å; T151-D294 HydrophobicContact CG2-CB 3.81Å
152G98.2Very high96.3Very high0 Ų021.5 Ų21.50%014%0.138CC..EExtended strand (participates in β ladder)trans161.8-179.4179.400000111.7V167 L295 N298G152-V167 PolarHBondContact N-O 3.31Å; G152-V167 PolarHBondContact O-N 3.4Å; G152-L295 VanDerWaalsContact C-CD2 3.46Å; G152-L295 WeakPolarHBondContact O-CD2 3.27Å; G152-N298 CarbonylContact C-O 3.51Å; G152-N298 VanDerWaalsContact CA-O 3.29Å; G152-N298 WeakPolarHBondContact CA-O 3.42Å
153I98.6Very high96.4Very high1 Ų121.6 Ų21.61%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-115.2133.8172.2-176.4168.8000108.9N164 P166 T280 I284 L295 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.29Å; I153-P166 HydrophobicContact CG1-CB 4.44Å; I153-T280 HydrophobicContact CD1-CG2 3.96Å; I153-T280 HydrophobicContact CG2-CG2 4.44Å; I153-I284 HydrophobicContact CD1-CD1 4.36Å; I153-I284 HydrophobicContact CD1-CG1 3.69Å; I153-I284 HydrophobicContact CG2-CD1 4.14Å; I153-I284 HydrophobicContact CG2-CG1 4.32Å; I153-L295 HydrophobicContact CB-CD2 4.49Å; I153-N298 PolarHBondContact N-O 3.24Å; I153-N299 HydrophobicContact CG2-CB 4.18Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.19Å; I153-N299 CarbonylContact O-C 3.53Å; I153-N299 WeakPolarHBondContact O-CA 3.32Å; I153-V300 PolarHBondContact O-N 3.37Å
154V98.6Very high96.4Very high0 Ų021.6 Ų21.60%014%0.138CC..EExtended strand (participates in β ladder)trans-105.6121.3177.5-175.80000109.2A140 L144 D156 N164 V165 V300A140-V154 HydrophobicContact CB-CB 3.99Å; A140-V154 HydrophobicContact CB-CG1 4.15Å; A140-V154 HydrophobicContact CB-CG2 4.47Å; A140-V154 WeakPolarHBondContact O-CG2 3.43Å; L144-V154 HydrophobicContact CB-CG2 3.87Å; L144-V154 HydrophobicContact CD1-CG2 4.11Å; L144-V154 HydrophobicContact CG-CG2 4.47Å; V154-D156 HydrophobicContact CG1-CB 4.2Å; V154-N164 WeakPolarHBondContact O-CA 3.38Å; V154-V165 PolarHBondContact N-O 3.4Å; V154-V165 PolarHBondContact O-N 3.49Å; V154-V300 CarbonylContact C-O 3.5Å; V154-V300 WeakPolarHBondContact CA-O 3.49Å; V154-V300 HydrophobicContact CG2-CB 4.33Å
155L98.6Very high96.5Very high5 Ų521.5 Ų21.53%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-91.9100.9163.117363.7000107.3T162 H163 N164 I276 V300 L301 S302 M315L155-T162 HydrophobicContact CD1-CG2 3.54Å; L155-H163 WeakPolarHBondContact CA-O 3.4Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.18Å; L155-I276 HydrophobicContact CD1-CB 4.27Å; L155-I276 HydrophobicContact CD1-CG2 4.41Å; L155-I276 HydrophobicContact CD2-CB 4.13Å; L155-I276 HydrophobicContact CD2-CD1 4.08Å; L155-V300 PolarHBondContact N-O 3.28Å; L155-L301 HydrophobicContact CB-CD2 3.91Å; L155-L301 HydrophobicContact CD2-CD2 3.85Å; L155-L301 HydrophobicContact CG-CD2 4.26Å; L155-S302 PolarHBondContact O-N 3.43Å; L155-M315 HydrophobicContact CD2-CE 3.65Å; L155-M315 HydrophobicContact CD2-SD 4.23Å
156D98Very high96.8Very high12 Ų1217.8 Ų17.86%0.06412%0.123CC..EExtended strand (participates in β ladder)trans-103.6114.7178.6-166.814.9000109.7V154 T162 H163 S302 G303V154-D156 HydrophobicContact CG1-CB 4.2Å; D156-T162 CarbonylContact O-C 3.57Å; D156-T162 VanDerWaalsContact O-CA 3.25Å; D156-T162 WeakPolarHBondContact O-CA 3.38Å; D156-H163 PolarHBondContact N-O 2.9Å; D156-H163 PolarHBondContact O-N 2.97Å; D156-S302 WeakPolarHBondContact CA-O 3.1Å; D156-S302 WeakPolarHBondContact OD1-CB 3.4Å; D156-S302 PolarHBondContact OD1-OG 2.88Å; D156-G303 PolarHBondContact OD1-N 3.26Å
157S98.3Very high96.9Very high3 Ų316.6 Ų16.62%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-123.4104.4179.5-168.10000110.6T162 S302 G303 G304 T305S157-T162 WeakPolarHBondContact CB-OG1 3.29Å; S157-T162 PolarHBondContact OG-OG1 3.36Å; S157-S302 PolarHBondContact N-O 3.25Å; S157-G303 CarbonylContact O-C 3.55Å; S157-G303 WeakPolarHBondContact O-CA 3.41Å; S157-G304 PolarHBondContact O-N 3.34Å; S157-T305 WeakPolarHBondContact O-CB 3.46Å; S157-T305 PolarHBondContact O-N 3.05Å; S157-T305 WeakPolarHBondContact OG-CB 3.19Å; S157-T305 WeakPolarHBondContact OG-CG2 3.46Å
158G96.8Very high97.1Very high24 Ų2419.1 Ų19.125%0.24712%0.119CC..  trans-93-146.1-177.700000113.1V161 A183 G184 T305G158-V161 PolarHBondContact N-O 2.95Å; G158-A183 WeakPolarHBondContact O-CB 3.4Å; G158-G184 PolarHBondContact O-N 3.21Å; G158-G184 VanDerWaalsContact O-N 3.12Å; G158-T305 WeakPolarHBondContact O-CB 3.29Å; G158-T305 PolarHBondContact O-OG1 2.93Å
159D96.6Very high97.1Very high35 Ų3521.8 Ų21.819%0.18711%0.112CC..SBendtrans-85.5-40.2175.9-177.360.5000112.1G17 A183 G184 R185G17-D159 WeakPolarHBondContact CA-OD2 3.48Å; D159-A183 CarbonylContact O-C 3.4Å; D159-A183 WeakPolarHBondContact O-CB 3.34Å; D159-G184 PolarHBondContact O-N 2.98Å; D159-G184 VanDerWaalsContact O-N 3.17Å; D159-R185 WeakPolarHBondContact O-CB 3.38Å; D159-R185 PolarHBondContact O-N 3.25Å; D159-R185 PolarHBondContact OD1-N 2.78Å; D159-R185 IonicContact OD2-CZ 3.96Å; D159-R185 VanDerWaalsContact OD2-CZ 3.31Å; D159-R185 IonicContact OD2-NE 2.89Å; D159-R185 PolarHBondContact OD2-NE 2.89Å; D159-R185 IonicContact OD2-NH2 2.59Å; D159-R185 PolarHBondContact OD2-NH2 3.08Å
160G95Very high96.8Very high1 Ų119.4 Ų19.41%0.0111%0.107CC..SBendtrans-111.7-12.9-173.600000115.5S16 H75S16-G160 WeakPolarHBondContact OG-CA 3.14Å; S16-G160 PolarHBondContact OG-N 3.43Å; H75-G160 PolarHBondContact ND1-O 3.48Å
161V96.1Very high96.7Very high8 Ų823.2 Ų23.25%0.04811%0.114CC..  trans-154.3150-174.7650000111.5G158 H163 R179G158-V161 PolarHBondContact N-O 2.95Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.35Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.48Å; V161-R179 HydrophobicContact CG2-CG 3.94Å
162T97.9Very high96.6Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-117.9134.2170.8-61.30000110L155 D156 S157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.54Å; D156-T162 CarbonylContact O-C 3.57Å; D156-T162 VanDerWaalsContact O-CA 3.25Å; D156-T162 WeakPolarHBondContact O-CA 3.38Å; S157-T162 WeakPolarHBondContact CB-OG1 3.29Å; S157-T162 PolarHBondContact OG-OG1 3.36Å; T162-L180 PolarHBondContact N-O 3.12Å; T162-L180 PolarHBondContact O-N 3.07Å; T162-L182 WeakPolarHBondContact CB-O 3.38Å; T162-L182 PolarHBondContact OG1-O 3.3Å; T162-I276 HydrophobicContact CG2-CG2 4.01Å
163H97.3Very high96.5Very high2 Ų224.4 Ų24.41%0.00912%0.121CC..EExtended strand (participates in β ladder)trans-128.2144.2177.8-63.3102.5000111.6P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 4.12Å; L155-H163 WeakPolarHBondContact CA-O 3.4Å; D156-H163 PolarHBondContact N-O 2.9Å; D156-H163 PolarHBondContact O-N 2.97Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.35Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.48Å; H163-V165 HydrophobicContact CB-CG2 4.03Å; H163-M178 CarbonylContact C-O 3.22Å; H163-M178 WeakPolarHBondContact CA-O 3.35Å
164N98.2Very high96.3Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-110.3114.5161.9-65.7-79.6000108.2I153 V154 L155 I177 M178 T279 T280I153-N164 HydrophobicContact CD1-CB 4.29Å; V154-N164 WeakPolarHBondContact O-CA 3.38Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.18Å; N164-I177 WeakPolarHBondContact O-CA 3.18Å; N164-M178 HydrophobicContact CB-CB 4.16Å; N164-M178 PolarHBondContact N-O 3.13Å; N164-M178 PolarHBondContact O-N 3.3Å; N164-T279 WeakPolarHBondContact ND2-CB 3.43Å; N164-T279 PolarHBondContact ND2-OG1 3.2Å; N164-T280 WeakPolarHBondContact OD1-CA 3.41Å; N164-T280 PolarHBondContact OD1-OG1 3.13Å
165V98.3Very high96.2Very high0 Ų033.8 Ų33.80%017%0.172CC..EExtended strand (participates in β ladder)trans-120.8105-177-174.70000108.7P111 A140 V154 H163 V167 A172 I177P111-V165 HydrophobicContact CB-CG2 3.97Å; P111-V165 HydrophobicContact CG-CG2 3.46Å; P111-V165 VanDerWaalsContact CG-CG2 3.46Å; A140-V165 HydrophobicContact CB-CB 3.5Å; A140-V165 VanDerWaalsContact CB-CB 3.5Å; A140-V165 HydrophobicContact CB-CG1 3.91Å; A140-V165 HydrophobicContact CB-CG2 3.53Å; V154-V165 PolarHBondContact N-O 3.4Å; V154-V165 PolarHBondContact O-N 3.49Å; H163-V165 HydrophobicContact CB-CG2 4.03Å; V165-V167 HydrophobicContact CG1-CG2 4.08Å; V165-A172 HydrophobicContact CG1-CB 3.86Å; V165-I177 HydrophobicContact CG1-CD1 4.3Å; V165-I177 HydrophobicContact CG1-CG1 4.19Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å
166P98.3Very high96.1Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-75.9132.7170.527.1-24.1000109.1I153 L173 A176 S283 L295I153-P166 HydrophobicContact CG1-CB 4.44Å; P166-L173 HydrophobicContact CB-CD1 4.32Å; P166-L173 HydrophobicContact CG-CB 4.21Å; P166-L173 PolarHBondContact O-N 3.12Å; P166-A176 HydrophobicContact CG-CB 3.5Å; P166-A176 VanDerWaalsContact CG-CB 3.5Å; P166-S283 WeakPolarHBondContact CD-OG 3.09Å; P166-S283 WeakPolarHBondContact CG-OG 3.1Å; P166-L295 HydrophobicContact CB-CD1 4.07Å; P166-L295 HydrophobicContact CB-CD2 4.21Å
167V97.8Very high96.1Very high1 Ų133.7 Ų33.71%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-127.1133.7-178-179.40000107.8V141 L144 T151 G152 V165 Y171 A172V141-V167 HydrophobicContact CG2-CG2 4.09Å; L144-V167 HydrophobicContact CD2-CB 3.57Å; L144-V167 HydrophobicContact CD2-CG1 3.68Å; L144-V167 HydrophobicContact CD2-CG2 4.16Å; T151-V167 WeakPolarHBondContact CA-O 3.26Å; G152-V167 PolarHBondContact N-O 3.31Å; G152-V167 PolarHBondContact O-N 3.4Å; V165-V167 HydrophobicContact CG1-CG2 4.08Å; V167-Y171 CarbonylContact C-O 3.32Å; V167-Y171 VanDerWaalsContact CA-O 3.27Å; V167-Y171 WeakPolarHBondContact CA-O 3.32Å; V167-A172 HydrophobicContact CG2-CB 4.44Å
168Y96.6Very high96.1Very high79 Ų7935.4 Ų35.431%0.3118%0.179SC..EExtended strand (participates in β ladder)trans-130.1122.6178-173-101.2000109.3T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.58Å; T151-Y168 HydrophobicContact CG2-CE2 4.12Å; Y168-G170 PolarHBondContact O-N 3.47Å; Y168-G170 VanDerWaalsContact O-N 3.14Å; Y168-Y171 PolarHBondContact N-O 3.13Å; Y168-Y171 PolarHBondContact O-N 3.38Å; Y168-I291 HydrophobicContact CD2-CB 3.94Å; Y168-I291 HydrophobicContact CD2-CD1 4.36Å; Y168-I291 HydrophobicContact CD2-CG2 3.61Å; Y168-I291 HydrophobicContact CE1-CG2 4.42Å; Y168-I291 HydrophobicContact CE2-CB 4Å; Y168-I291 HydrophobicContact CE2-CG2 3.34Å; Y168-I291 HydrophobicContact CG-CG2 4.28Å
169E93.7Very high96Very high127 Ų12738.6 Ų38.659%0.59318%0.184SC*.THydrogen-bonded Turntrans50.438.6-179-61.1-169.6152.800113.8T150 T151 Y171T150-E169 PolarHBondContact O-N 2.83Å; T151-E169 PolarHBondContact OG1-N 3.1Å; E169-Y171 WeakPolarHBondContact O-CD2 3.3Å
170G89Confident96Very high12 Ų1237.3 Ų37.312%0.12418%0.177CC..THydrogen-bonded Turntrans88.3-5.7179.100000115.2Y145 T150 Y168Y145-G170 WeakPolarHBondContact OH-CA 3.39Å; T150-G170 PolarHBondContact O-N 3.06Å; Y168-G170 PolarHBondContact O-N 3.47Å; Y168-G170 VanDerWaalsContact O-N 3.14Å
171Y90.9Very high96Very high158 Ų15840.5 Ų40.562%0.6219%0.194SC*.EExtended strand (participates in β ladder)trans-104.2125.7179.6-62.1-84.3000111.6V167 Y168 E169V167-Y171 CarbonylContact C-O 3.32Å; V167-Y171 VanDerWaalsContact CA-O 3.27Å; V167-Y171 WeakPolarHBondContact CA-O 3.32Å; Y168-Y171 PolarHBondContact N-O 3.13Å; Y168-Y171 PolarHBondContact O-N 3.38Å; E169-Y171 WeakPolarHBondContact O-CD2 3.3Å
172A95.3Very high96Very high14 Ų1440.1 Ų40.112%0.11619%0.192CC..EExtended strand (participates in β ladder)trans-67.7139.6170.100000110.2I138 V141 V165 V167 P174I138-A172 HydrophobicContact CD1-CB 4.3Å; V141-A172 HydrophobicContact CG2-CB 3.99Å; V165-A172 HydrophobicContact CG1-CB 3.86Å; V167-A172 HydrophobicContact CG2-CB 4.44Å; A172-P174 WeakPolarHBondContact O-CD 3.29Å
173L96.2Very high96Very high31 Ų3140.1 Ų40.116%0.16219%0.192CC..  trans-96.396.3-179.9-57.8177.2000110.4P166 H175 A176 I177 I291P166-L173 HydrophobicContact CB-CD1 4.32Å; P166-L173 HydrophobicContact CG-CB 4.21Å; P166-L173 PolarHBondContact O-N 3.12Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 3.17Å; L173-A176 HydrophobicContact CB-CB 4.42Å; L173-A176 PolarHBondContact O-N 3.12Å; L173-I177 PolarHBondContact O-N 2.76Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å
174P94.5Very high96Very high83 Ų8340 Ų4054%0.53919%0.191SC..G310 helixtrans-65.9-32.1-163.6-22.536.6000113.8L112 A172 A176 I177L112-P174 HydrophobicContact CD2-CB 4.49Å; A172-P174 WeakPolarHBondContact O-CD 3.29Å; P174-A176 PolarHBondContact O-N 3.06Å; P174-I177 HydrophobicContact CB-CD1 4.48Å; P174-I177 PolarHBondContact O-N 2.85Å
175H96.2Very high95.9Very high114 Ų11442 Ų4253%0.52820%0.199SC..G310 helixtrans-68-20.4179.562.9-88000113.3L173L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 3.17Å
176A97.8Very high95.8Very high0 Ų043.9 Ų43.90%021%0.209CC..G310 helixtrans-106.81.2-177.800000113.3P166 L173 P174 M178 S283 K286 C287P166-A176 HydrophobicContact CG-CB 3.5Å; P166-A176 VanDerWaalsContact CG-CB 3.5Å; L173-A176 HydrophobicContact CB-CB 4.42Å; L173-A176 PolarHBondContact O-N 3.12Å; P174-A176 PolarHBondContact O-N 3.06Å; A176-M178 PolarHBondContact O-N 3.5Å; A176-S283 WeakPolarHBondContact O-CB 3.1Å; A176-S283 PolarHBondContact O-OG 3.15Å; A176-K286 HydrophobicContact CB-CB 3.77Å; A176-C287 WeakPolarHBondContact CB-SG 3.32Å
177I97.8Very high95.8Very high16 Ų1643.9 Ų43.98%0.08221%0.209CC..  trans-66131.2174.3-63174.6000109.5P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 4.13Å; P111-I177 HydrophobicContact CB-CG2 4.08Å; L112-I177 HydrophobicContact CD1-CB 4.18Å; L112-I177 HydrophobicContact CD1-CG2 3.9Å; L112-I177 HydrophobicContact CD2-CD1 4.09Å; L112-I177 HydrophobicContact CG-CB 4.43Å; L112-I177 HydrophobicContact CG-CD1 4.18Å; L112-I177 HydrophobicContact CG-CG2 4.14Å; N164-I177 WeakPolarHBondContact O-CA 3.18Å; V165-I177 HydrophobicContact CG1-CD1 4.3Å; V165-I177 HydrophobicContact CG1-CG1 4.19Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å; L173-I177 PolarHBondContact O-N 2.76Å; P174-I177 HydrophobicContact CB-CD1 4.48Å; P174-I177 PolarHBondContact O-N 2.85Å
178M97.6Very high95.9Very high38 Ų3843.8 Ų43.819%0.18721%0.208CC..EExtended strand (participates in β ladder)trans-114129.6171.6-57.2-69.5-69.300108.8H163 N164 A176 N282 K286H163-M178 CarbonylContact C-O 3.22Å; H163-M178 WeakPolarHBondContact CA-O 3.35Å; N164-M178 HydrophobicContact CB-CB 4.16Å; N164-M178 PolarHBondContact N-O 3.13Å; N164-M178 PolarHBondContact O-N 3.3Å; A176-M178 PolarHBondContact O-N 3.5Å; M178-N282 HydrophobicContact CE-CB 4.32Å; M178-K286 HydrophobicContact SD-CD 4.05Å; M178-K286 PolarHBondContact SD-NZ 3.38Å
179R95.4Very high95.9Very high92 Ų9243.1 Ų43.135%0.34721%0.21SC..EExtended strand (participates in β ladder)trans-112.3137.8176.1175.2173.5166.5158.10.1109.4H75 V161 D181H75-R179 VanDerWaalsContact CB-NH2 3.26Å; H75-R179 PolarHBondContact O-NH2 3.44Å; V161-R179 HydrophobicContact CG2-CG 3.94Å; R179-D181 IonicContact CZ-OD1 2.86Å; R179-D181 VanDerWaalsContact CZ-OD1 3.29Å; R179-D181 IonicContact NE-OD1 3.01Å; R179-D181 PolarHBondContact NE-OD1 3.28Å; R179-D181 IonicContact NE-OD2 3.29Å; R179-D181 IonicContact NH2-OD1 3.5Å; R179-D181 PolarHBondContact NH2-OD1 3.19Å; R179-D181 IonicContact NH2-OD2 2.77Å
180L95.8Very high96.1Very high8 Ų837.9 Ų37.94%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-132.4115.5175.9175.465000108.2T162 L182 M271 S273 I276T162-L180 PolarHBondContact N-O 3.12Å; T162-L180 PolarHBondContact O-N 3.07Å; L180-L182 HydrophobicContact CD1-CB 4.18Å; L180-L182 HydrophobicContact CD2-CB 4.16Å; L180-L182 HydrophobicContact CD2-CD2 4.37Å; L180-L182 HydrophobicContact CG-CB 3.87Å; L180-L182 PolarHBondContact O-N 3.3Å; L180-M271 HydrophobicContact CD1-CE 4.27Å; L180-S273 WeakPolarHBondContact CD1-OG 3.47Å; L180-I276 HydrophobicContact CD2-CG2 4.2Å
181D94.8Very high96.5Very high68 Ų6837.3 Ų37.336%0.36418%0.179SC..SBendtrans-80.554.8176.1-67-23.6000110.4R179R179-D181 IonicContact CZ-OD1 2.86Å; R179-D181 VanDerWaalsContact CZ-OD1 3.29Å; R179-D181 IonicContact NE-OD1 3.01Å; R179-D181 PolarHBondContact NE-OD1 3.28Å; R179-D181 IonicContact NE-OD2 3.29Å; R179-D181 IonicContact NH2-OD1 3.5Å; R179-D181 PolarHBondContact NH2-OD1 3.19Å; R179-D181 IonicContact NH2-OD2 2.77Å
182L96.6Very high96.8Very high0 Ų032 Ų320%016%0.161CC..  trans-140.1119.3172.9162.860.1000107.8T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.38Å; T162-L182 PolarHBondContact OG1-O 3.3Å; L180-L182 HydrophobicContact CD1-CB 4.18Å; L180-L182 HydrophobicContact CD2-CB 4.16Å; L180-L182 HydrophobicContact CD2-CD2 4.37Å; L180-L182 HydrophobicContact CG-CB 3.87Å; L180-L182 PolarHBondContact O-N 3.3Å; L182-D186 WeakPolarHBondContact CA-OD2 3.34Å; L182-D186 HydrophobicContact CD1-CB 3.63Å; L182-L187 HydrophobicContact CD1-CD2 4.27Å; L182-T262 HydrophobicContact CD1-CG2 4.23Å; L182-T262 HydrophobicContact CD2-CG2 4.19Å; L182-T262 WeakPolarHBondContact CD2-O 3.48Å; L182-L263 HydrophobicContact CG-CD2 4.47Å; L182-P266 HydrophobicContact CD2-CB 3.92Å; L182-P266 HydrophobicContact CD2-CG 3.89Å; L182-I269 HydrophobicContact CD1-CD1 3.55Å; L182-I269 HydrophobicContact CD2-CD1 4.32Å; L182-I269 HydrophobicContact CG-CD1 4.44Å; L182-M271 HydrophobicContact CB-CE 4.17Å; L182-M271 HydrophobicContact CB-SD 4.04Å
183A97.5Very high96.8Very high0 Ų036.9 Ų36.90%018%0.179CC..SBendtrans-156-160.3-177.600000112.2G158 D159 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.4Å; D159-A183 CarbonylContact O-C 3.4Å; D159-A183 WeakPolarHBondContact O-CB 3.34Å; A183-R185 PolarHBondContact O-N 3.24Å; A183-R185 VanDerWaalsContact O-N 3.12Å; A183-D186 PolarHBondContact N-OD2 3.4Å; A183-D186 PolarHBondContact O-N 2.84Å; A183-L187 WeakPolarHBondContact O-CG 3.4Å; A183-L187 PolarHBondContact O-N 3.32Å; A183-L187 VanDerWaalsContact O-N 3.13Å
184G97.7Very high96.9Very high0 Ų035.5 Ų35.50%017%0.172CC..Hα-helixtrans-56.8-31.9-17000000115.2G158 D159 T188 K215 T305G158-G184 PolarHBondContact O-N 3.21Å; G158-G184 VanDerWaalsContact O-N 3.12Å; D159-G184 PolarHBondContact O-N 2.98Å; D159-G184 VanDerWaalsContact O-N 3.17Å; G184-T188 PolarHBondContact O-N 2.9Å; G184-T188 PolarHBondContact O-OG1 3.02Å; G184-T188 VanDerWaalsContact O-OG1 3.11Å; G184-K215 PolarHBondContact O-NZ 3.26Å; G184-T305 WeakPolarHBondContact CA-OG1 3.49Å; G184-T305 PolarHBondContact N-OG1 2.72Å; G184-T305 VanDerWaalsContact N-OG1 3.13Å
185R96.1Very high97Very high40 Ų4031.5 Ų31.515%0.15115%0.146CC..Hα-helixtrans-67.6-48.5179.5-170.6175.4-63.4174.30.6111S16 D159 A183 L187 T188 D189 R208S16-R185 PolarHBondContact O-NH2 3.26Å; D159-R185 WeakPolarHBondContact O-CB 3.38Å; D159-R185 PolarHBondContact O-N 3.25Å; D159-R185 PolarHBondContact OD1-N 2.78Å; D159-R185 IonicContact OD2-CZ 3.96Å; D159-R185 VanDerWaalsContact OD2-CZ 3.31Å; D159-R185 IonicContact OD2-NE 2.89Å; D159-R185 PolarHBondContact OD2-NE 2.89Å; D159-R185 IonicContact OD2-NH2 2.59Å; D159-R185 PolarHBondContact OD2-NH2 3.08Å; A183-R185 PolarHBondContact O-N 3.24Å; A183-R185 VanDerWaalsContact O-N 3.12Å; R185-L187 VanDerWaalsContact C-N 3.29Å; R185-L187 PolarHBondContact O-N 2.98Å; R185-T188 WeakPolarHBondContact O-CB 3.39Å; R185-T188 PolarHBondContact O-N 3.37Å; R185-T188 VanDerWaalsContact O-N 3.15Å; R185-D189 PolarHBondContact O-N 3.05Å; R185-D189 VanDerWaalsContact O-N 3.08Å; R185-R208 PolarHBondContact O-NH2 3.13Å; R185-R208 VanDerWaalsContact O-NH2 3.07Å
186D97.3Very high97Very high40 Ų4029.3 Ų29.321%0.21414%0.141CC..Hα-helixtrans-63.7-37.8178.1-46-74.6000110.9L182 A183 T188 D189 Y190 I269L182-D186 WeakPolarHBondContact CA-OD2 3.34Å; L182-D186 HydrophobicContact CD1-CB 3.63Å; A183-D186 PolarHBondContact N-OD2 3.4Å; A183-D186 PolarHBondContact O-N 2.84Å; D186-T188 PolarHBondContact O-N 3.17Å; D186-D189 PolarHBondContact O-N 2.92Å; D186-Y190 WeakPolarHBondContact O-CB 3.2Å; D186-Y190 PolarHBondContact O-N 3.07Å; D186-I269 HydrophobicContact CB-CD1 4.49Å
187L98.3Very high96.8Very high0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-64.8-37.9174.6-62.1-174.8000112.4L182 A183 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.27Å; A183-L187 WeakPolarHBondContact O-CG 3.4Å; A183-L187 PolarHBondContact O-N 3.32Å; A183-L187 VanDerWaalsContact O-N 3.13Å; R185-L187 VanDerWaalsContact C-N 3.29Å; R185-L187 PolarHBondContact O-N 2.98Å; L187-L191 WeakPolarHBondContact O-CB 3.24Å; L187-L191 PolarHBondContact O-N 2.79Å; L187-K215 HydrophobicContact CB-CD 4.06Å; L187-C259 PolarHBondContact O-SG 2.86Å; L187-T262 HydrophobicContact CD2-CG2 4.21Å; L187-L263 HydrophobicContact CD1-CD1 4.06Å; L187-L263 HydrophobicContact CD1-CD2 4.03Å; L187-L263 HydrophobicContact CD1-CG 3.94Å; L187-L263 HydrophobicContact CD2-CD2 4.44Å; L187-L263 HydrophobicContact CD2-CG 4.33Å; L187-T305 HydrophobicContact CD1-CG2 3.63Å; L187-Y308 HydrophobicContact CD1-CE2 3.69Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.3Å
188T97.9Very high96.5Very high0 Ų038.3 Ų38.30%018%0.179CC..Hα-helixtrans-63.2-44173.4-61.40000110.8G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 2.9Å; G184-T188 PolarHBondContact O-OG1 3.02Å; G184-T188 VanDerWaalsContact O-OG1 3.11Å; R185-T188 WeakPolarHBondContact O-CB 3.39Å; R185-T188 PolarHBondContact O-N 3.37Å; R185-T188 VanDerWaalsContact O-N 3.15Å; D186-T188 PolarHBondContact O-N 3.17Å; T188-L191 PolarHBondContact O-N 2.85Å; T188-M192 PolarHBondContact O-N 3.28Å; T188-R208 HydrophobicContact CG2-CG 4.07Å; T188-V211 HydrophobicContact CG2-CB 4.34Å; T188-V211 HydrophobicContact CG2-CG1 4.16Å; T188-R212 HydrophobicContact CG2-CB 3.95Å; T188-K215 PolarHBondContact OG1-NZ 2.88Å
189D96.6Very high96.3Very high65 Ų6539.5 Ų39.535%0.34820%0.201SC..Hα-helixtrans-67.9-38.9-180-66.3-35.4000111.9R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 3.05Å; R185-D189 VanDerWaalsContact O-N 3.08Å; D186-D189 PolarHBondContact O-N 2.92Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 2.96Å; D189-K193 PolarHBondContact O-N 3.37Å; D189-R208 IonicContact OD1-CZ 3.03Å; D189-R208 IonicContact OD1-NE 2.89Å; D189-R208 PolarHBondContact OD1-NE 3.2Å; D189-R208 IonicContact OD1-NH2 3.85Å; D189-R208 PolarHBondContact OD1-NH2 3.09Å; D189-R208 IonicContact OD2-CZ 3.75Å; D189-R208 IonicContact OD2-NE 3.27Å; D189-R208 IonicContact OD2-NH2 2.72Å; D189-R208 PolarHBondContact OD2-NH2 3.4Å
190Y97.9Very high96.2Very high16 Ų1638 Ų386%0.06320%0.195CC..Hα-helixtrans-65.7-42.2173.7179.7-121.7000112.2D186 M192 K193 I194 T262 F268 I269D186-Y190 WeakPolarHBondContact O-CB 3.2Å; D186-Y190 PolarHBondContact O-N 3.07Å; Y190-M192 VanDerWaalsContact C-N 3.28Å; Y190-M192 PolarHBondContact O-N 3.23Å; Y190-K193 WeakPolarHBondContact O-CB 3.29Å; Y190-K193 PolarHBondContact O-N 2.8Å; Y190-I194 HydrophobicContact CD1-CD1 4.5Å; Y190-I194 HydrophobicContact CD2-CG2 4.17Å; Y190-I194 HydrophobicContact CE1-CD1 4.15Å; Y190-I194 HydrophobicContact CE1-CG2 4.32Å; Y190-I194 HydrophobicContact CE2-CG2 3.57Å; Y190-I194 PolarHBondContact O-N 3.08Å; Y190-T262 WeakPolarHBondContact CD1-OG1 3.14Å; Y190-T262 WeakPolarHBondContact CE1-OG1 3.49Å; Y190-F268 HydrophobicContact CE1-CB 4.44Å; Y190-F268 HydrophobicContact CE1-CD2 4.33Å; Y190-F268 HydrophobicContact CE2-CB 4.41Å; Y190-F268 WeakPolarHBondContact OH-CD2 3.23Å; Y190-I269 HydrophobicContact CD1-CG2 4.43Å; Y190-I269 HydrophobicContact CD2-CG2 3.52Å; Y190-I269 HydrophobicContact CE2-CG2 4.24Å; Y190-I269 HydrophobicContact CG-CG2 3.64Å
191L98.2Very high96Very high0 Ų041.4 Ų41.40%022%0.22CC..Hα-helixtrans-59.4-42.3174.1-176.659.5000111L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.24Å; L187-L191 PolarHBondContact O-N 2.79Å; T188-L191 PolarHBondContact O-N 2.85Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 2.82Å; L191-I194 HydrophobicContact CD1-CD1 4.07Å; L191-I194 HydrophobicContact CD1-CG1 4.13Å; L191-I194 WeakPolarHBondContact O-CG1 3.49Å; L191-I194 PolarHBondContact O-N 3.05Å; L191-L195 HydrophobicContact CD1-CD1 4.11Å; L191-L195 HydrophobicContact CD1-CG 4.04Å; L191-L195 HydrophobicContact CD2-CD1 4.46Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.22Å; L191-L195 WeakPolarHBondContact O-CB 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.09Å; L191-V211 HydrophobicContact CB-CG1 3.87Å; L191-V211 HydrophobicContact CD2-CG1 3.81Å; L191-V211 HydrophobicContact CG-CG1 3.77Å; L191-I214 HydrophobicContact CD2-CB 4.49Å; L191-I214 HydrophobicContact CD2-CG2 4.12Å; L191-K215 HydrophobicContact CD2-CB 3.67Å; L191-K215 HydrophobicContact CD2-CG 4.37Å; L191-E255 HydrophobicContact CD1-CB 4Å; L191-C259 HydrophobicContact CB-CB 4.28Å; L191-C259 HydrophobicContact CD1-CB 4.02Å
192M97.1Very high95.8Very high47 Ų4738.9 Ų38.923%0.23221%0.206CC..Hα-helixtrans-58.6-43.3176.4-161.9173.690.200111.6T188 D189 Y190 T196 F202 R208 V211T188-M192 PolarHBondContact O-N 3.28Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 2.96Å; Y190-M192 VanDerWaalsContact C-N 3.28Å; Y190-M192 PolarHBondContact O-N 3.23Å; M192-T196 PolarHBondContact O-N 3.16Å; M192-T196 PolarHBondContact O-OG1 3.4Å; M192-F202 WeakPolarHBondContact CE-O 3.49Å; M192-F202 HydrophobicContact CG-CB 3.85Å; M192-F202 HydrophobicContact SD-CB 4.15Å; M192-F202 VanDerWaalsContact SD-O 3.4Å; M192-R208 HydrophobicContact SD-CB 4.47Å; M192-R208 HydrophobicContact SD-CG 4.46Å; M192-V211 HydrophobicContact CB-CG1 4.14Å; M192-V211 HydrophobicContact CB-CG2 4.44Å; M192-V211 HydrophobicContact CG-CG2 4.19Å
193K96.3Very high95.4Very high117 Ų11744.3 Ų44.351%0.50924%0.239SC..Hα-helixtrans-60.7-53176.1-179.3-174.5171.4-1720112D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 3.37Å; Y190-K193 WeakPolarHBondContact O-CB 3.29Å; Y190-K193 PolarHBondContact O-N 2.8Å; L191-K193 VanDerWaalsContact C-N 3.3Å; L191-K193 PolarHBondContact O-N 2.82Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 3.32Å; K193-T196 WeakPolarHBondContact O-CA 3.49Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.18Å; K193-T196 PolarHBondContact O-N 2.87Å; K193-T196 VanDerWaalsContact O-N 3.09Å; K193-E197 PolarHBondContact O-N 3.47Å
194I97.2Very high94.9Very high1 Ų147.7 Ų47.71%0.00526%0.26CS..Hα-helixtrans-71.9-24.5-176.965.1-177.6000112.9Y190 L191 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.5Å; Y190-I194 HydrophobicContact CD2-CG2 4.17Å; Y190-I194 HydrophobicContact CE1-CD1 4.15Å; Y190-I194 HydrophobicContact CE1-CG2 4.32Å; Y190-I194 HydrophobicContact CE2-CG2 3.57Å; Y190-I194 PolarHBondContact O-N 3.08Å; L191-I194 HydrophobicContact CD1-CD1 4.07Å; L191-I194 HydrophobicContact CD1-CG1 4.13Å; L191-I194 WeakPolarHBondContact O-CG1 3.49Å; L191-I194 PolarHBondContact O-N 3.05Å; I194-E197 WeakPolarHBondContact O-CB 3.4Å; I194-E197 PolarHBondContact O-N 3.25Å; I194-R198 PolarHBondContact O-N 3.06Å; I194-E255 HydrophobicContact CB-CG 4.31Å; I194-E255 HydrophobicContact CD1-CB 3.66Å; I194-E255 HydrophobicContact CD1-CG 3.96Å; I194-E255 HydrophobicContact CG1-CB 3.97Å; I194-E255 HydrophobicContact CG1-CG 3.85Å; I194-R258 HydrophobicContact CD1-CB 4.28Å; I194-C259 HydrophobicContact CD1-CB 4.28Å
195L96.9Very high94.2Very high0 Ų051.4 Ų51.40%028%0.282CS..Hα-helixtrans-69.8-35.3168.7-72.2175.3000112L191 K193 E197 R198 G199 Y200 F202 V211 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.11Å; L191-L195 HydrophobicContact CD1-CG 4.04Å; L191-L195 HydrophobicContact CD2-CD1 4.46Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.22Å; L191-L195 WeakPolarHBondContact O-CB 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.09Å; K193-L195 VanDerWaalsContact C-N 3.31Å; K193-L195 PolarHBondContact O-N 3.32Å; L195-E197 VanDerWaalsContact C-N 3.34Å; L195-R198 WeakPolarHBondContact O-CB 3.45Å; L195-R198 PolarHBondContact O-N 3.49Å; L195-R198 VanDerWaalsContact O-N 3.16Å; L195-G199 PolarHBondContact O-N 2.96Å; L195-Y200 CarbonylContact C-O 3.58Å; L195-Y200 HydrophobicContact CD2-CD2 4.42Å; L195-Y200 PolarHBondContact O-N 3.49Å; L195-F202 HydrophobicContact CB-CD2 4.38Å; L195-F202 HydrophobicContact CB-CE2 4.15Å; L195-F202 HydrophobicContact CD1-CD2 4.39Å; L195-F202 HydrophobicContact CD1-CE2 3.85Å; L195-V211 HydrophobicContact CD1-CG1 4.26Å; L195-V211 HydrophobicContact CD1-CG2 4.41Å; L195-I252 HydrophobicContact CD2-CD1 3.7Å; L195-I252 HydrophobicContact CD2-CG2 4.24Å; L195-E255 HydrophobicContact CD2-CB 4.44Å; L195-E255 HydrophobicContact CD2-CG 4.31Å
196T95.5Very high93.7Very high67 Ų6751.7 Ų51.741%0.41129%0.293SS..Hα-helixtrans-64.9-39.6173.2-54.50000111M192 K193 R198 G199 Y200M192-T196 PolarHBondContact O-N 3.16Å; M192-T196 PolarHBondContact O-OG1 3.4Å; K193-T196 WeakPolarHBondContact O-CA 3.49Å; K193-T196 VanDerWaalsContact O-CB 3.31Å; K193-T196 WeakPolarHBondContact O-CB 3.18Å; K193-T196 PolarHBondContact O-N 2.87Å; K193-T196 VanDerWaalsContact O-N 3.09Å; T196-R198 PolarHBondContact O-N 3.07Å; T196-G199 WeakPolarHBondContact O-CA 3.28Å; T196-G199 PolarHBondContact O-N 3.13Å; T196-Y200 WeakPolarHBondContact CA-O 3.44Å; T196-Y200 PolarHBondContact N-O 2.89Å; T196-Y200 PolarHBondContact OG1-O 3.16Å
197E93.8Very high93.3Very high118 Ų11852.6 Ų52.655%0.55130%0.296SS*.Hα-helixtrans-59.6-32.9172.7-66.3167.7-169.100112.3K193 I194 L195 G199 R258K193-E197 PolarHBondContact O-N 3.47Å; I194-E197 WeakPolarHBondContact O-CB 3.4Å; I194-E197 PolarHBondContact O-N 3.25Å; L195-E197 VanDerWaalsContact C-N 3.34Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.45Å; E197-R258 IonicContact OE2-NH2 3.67Å
198R91.9Very high93Very high88 Ų8854.5 Ų54.533%0.33230%0.303SS..THydrogen-bonded Turntrans-77.3-10.6174.5-155.7-172.2-179.1911.5113.4I194 L195 T196 E239 T251 E255I194-R198 PolarHBondContact O-N 3.06Å; L195-R198 WeakPolarHBondContact O-CB 3.45Å; L195-R198 PolarHBondContact O-N 3.49Å; L195-R198 VanDerWaalsContact O-N 3.16Å; T196-R198 PolarHBondContact O-N 3.07Å; R198-E239 IonicContact NH2-OE1 2.71Å; R198-E239 PolarHBondContact NH2-OE1 3.21Å; R198-T251 PolarHBondContact NE-O 3.37Å; R198-E255 VanDerWaalsContact CD-OE1 3.24Å; R198-E255 WeakPolarHBondContact CD-OE1 3.4Å; R198-E255 IonicContact CZ-OE1 3.28Å; R198-E255 IonicContact CZ-OE2 2.78Å; R198-E255 IonicContact NE-OE1 2.6Å; R198-E255 VanDerWaalsContact NH1-CD 3.34Å; R198-E255 IonicContact NH1-OE1 2.86Å; R198-E255 PolarHBondContact NH1-OE1 3.08Å; R198-E255 IonicContact NH1-OE2 3.9Å; R198-E255 PolarHBondContact NH1-OE2 3.33Å; R198-E255 VanDerWaalsContact NH1-OE2 3.08Å
199G93.8Very high92.7Very high63 Ų6356 Ų5665%0.64931%0.31SS*.THydrogen-bonded Turntrans104.25.2179.300000115.5L195 T196 E197L195-G199 PolarHBondContact O-N 2.96Å; T196-G199 WeakPolarHBondContact O-CA 3.28Å; T196-G199 PolarHBondContact O-N 3.13Å; E197-G199 VanDerWaalsContact C-N 3.27Å; E197-G199 PolarHBondContact O-N 3.45Å
200Y93.1Very high92.6Very high59 Ų5954.4 Ų54.423%0.23130%0.302CS..  trans-96.7110.8174-60.3-58.8000110.7L195 T196 I250 T251L195-Y200 CarbonylContact C-O 3.58Å; L195-Y200 HydrophobicContact CD2-CD2 4.42Å; L195-Y200 PolarHBondContact O-N 3.49Å; T196-Y200 WeakPolarHBondContact CA-O 3.44Å; T196-Y200 PolarHBondContact N-O 2.89Å; T196-Y200 PolarHBondContact OG1-O 3.16Å; Y200-I250 HydrophobicContact CD1-CB 4.33Å; Y200-I250 HydrophobicContact CD1-CG2 3.85Å; Y200-I250 HydrophobicContact CE1-CB 3.8Å; Y200-I250 HydrophobicContact CE1-CG2 3.5Å; Y200-I250 HydrophobicContact CE2-CB 4.08Å; Y200-T251 WeakPolarHBondContact CE2-O 3.45Å; Y200-T251 PolarHBondContact OH-N 2.89Å; Y200-T251 VanDerWaalsContact OH-N 3.11Å
201S91.4Very high92.6Very high81 Ų8153.6 Ų53.657%0.56630%0.299SS*.  trans-93.2118.3-178.6-169.50000111.3V203S201-V203 WeakPolarHBondContact OG-CG2 3.24Å
202F91.6Very high92.5Very high14 Ų1457 Ų576%0.06131%0.311CS..  trans-118.6113.1172.1-60.9-74.3000107.5M192 L195 E207 V211 I214 L244 I250M192-F202 WeakPolarHBondContact CE-O 3.49Å; M192-F202 HydrophobicContact CG-CB 3.85Å; M192-F202 HydrophobicContact SD-CB 4.15Å; M192-F202 VanDerWaalsContact SD-O 3.4Å; L195-F202 HydrophobicContact CB-CD2 4.38Å; L195-F202 HydrophobicContact CB-CE2 4.15Å; L195-F202 HydrophobicContact CD1-CD2 4.39Å; L195-F202 HydrophobicContact CD1-CE2 3.85Å; F202-E207 HydrophobicContact CB-CB 3.89Å; F202-E207 HydrophobicContact CD1-CB 3.86Å; F202-E207 HydrophobicContact CD1-CG 4.16Å; F202-E207 HydrophobicContact CG-CB 4.35Å; F202-V211 HydrophobicContact CB-CG2 4.01Å; F202-V211 HydrophobicContact CD1-CG2 4.17Å; F202-V211 HydrophobicContact CD2-CG2 3.59Å; F202-V211 HydrophobicContact CE2-CG2 4.04Å; F202-V211 HydrophobicContact CG-CG2 3.65Å; F202-V211 HydrophobicContact CZ-CG2 4.48Å; F202-I214 HydrophobicContact CZ-CD1 4.48Å; F202-L244 HydrophobicContact CE1-CD2 4.14Å; F202-L244 HydrophobicContact CZ-CD2 4.4Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å
203V87.2Confident92.5Very high114 Ų11456.5 Ų56.569%0.69131%0.31SS*.  trans-117-34.2-169-1730000111.6S201 E207S201-V203 WeakPolarHBondContact OG-CG2 3.24Å; V203-E207 PolarHBondContact N-OE2 3.14Å
204T87.3Confident92.6Very high71 Ų7151 Ų5144%0.43629%0.285SS..SBendtrans-85.5157.6-174.369.70000111.6A206 E207 R208T204-A206 PolarHBondContact O-N 3.28Å; T204-E207 WeakPolarHBondContact CB-OE2 3.5Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.14Å; T204-E207 PolarHBondContact O-N 2.97Å; T204-E207 WeakPolarHBondContact OG1-CB 3.28Å; T204-E207 VanDerWaalsContact OG1-CD 3.22Å; T204-E207 VanDerWaalsContact OG1-CG 3.27Å; T204-E207 WeakPolarHBondContact OG1-CG 3.45Å; T204-E207 PolarHBondContact OG1-N 3.03Å; T204-E207 PolarHBondContact OG1-OE2 3.26Å; T204-R208 PolarHBondContact O-N 3.38Å
205T83.5Confident92.6Very high78 Ų7851.3 Ų51.348%0.47929%0.287SS..Hα-helixtrans-61.7-29.7174.466.50000112.3R64 R208R64-T205 PolarHBondContact NE-OG1 3.25Å; R64-T205 VanDerWaalsContact NE-OG1 3.15Å; R64-T205 PolarHBondContact NH1-O 2.93Å; R64-T205 VanDerWaalsContact NH1-O 3.07Å; R64-T205 VanDerWaalsContact NH2-C 3.3Å; R64-T205 VanDerWaalsContact NH2-CB 3.27Å; R64-T205 PolarHBondContact NH2-O 3.06Å; R64-T205 PolarHBondContact NH2-OG1 3.19Å; T205-R208 WeakPolarHBondContact O-CB 3.35Å; T205-R208 PolarHBondContact O-N 3.25Å
206A84.3Confident92.6Very high46 Ų4656.7 Ų56.738%0.3831%0.312SS..Hα-helixtrans-65.4-47.1175.800000111.5T204 R208 E209T204-A206 PolarHBondContact O-N 3.28Å; A206-R208 VanDerWaalsContact C-N 3.28Å; A206-R208 PolarHBondContact O-N 3.11Å; A206-E209 WeakPolarHBondContact O-CB 3.5Å; A206-E209 PolarHBondContact O-N 3.17Å; A206-E209 VanDerWaalsContact O-N 3.12Å
207E90.1Very high92.8Very high59 Ų5960 Ų6028%0.27632%0.321SS..Hα-helixtrans-62.7-34176.4-74.7161.8164.300112.5F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.89Å; F202-E207 HydrophobicContact CD1-CB 3.86Å; F202-E207 HydrophobicContact CD1-CG 4.16Å; F202-E207 HydrophobicContact CG-CB 4.35Å; V203-E207 PolarHBondContact N-OE2 3.14Å; T204-E207 WeakPolarHBondContact CB-OE2 3.5Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.14Å; T204-E207 PolarHBondContact O-N 2.97Å; T204-E207 WeakPolarHBondContact OG1-CB 3.28Å; T204-E207 VanDerWaalsContact OG1-CD 3.22Å; T204-E207 VanDerWaalsContact OG1-CG 3.27Å; T204-E207 WeakPolarHBondContact OG1-CG 3.45Å; T204-E207 PolarHBondContact OG1-N 3.03Å; T204-E207 PolarHBondContact OG1-OE2 3.26Å; E207-E209 PolarHBondContact O-N 3.01Å; E207-I210 WeakPolarHBondContact O-CA 3.3Å; E207-I210 VanDerWaalsContact O-CB 3.32Å; E207-I210 WeakPolarHBondContact O-CB 3.35Å; E207-I210 PolarHBondContact O-N 3Å; E207-V211 PolarHBondContact O-N 2.84Å
208R92.3Very high93Very high40 Ų4055.6 Ų55.615%0.15130%0.301CS..Hα-helixtrans-55.9-34173.3-169.5-175.2-178-77.8-5.6113R185 T188 D189 M192 T204 T205 A206 V211 R212R185-R208 PolarHBondContact O-NH2 3.13Å; R185-R208 VanDerWaalsContact O-NH2 3.07Å; T188-R208 HydrophobicContact CG2-CG 4.07Å; D189-R208 IonicContact OD1-CZ 3.03Å; D189-R208 IonicContact OD1-NE 2.89Å; D189-R208 PolarHBondContact OD1-NE 3.2Å; D189-R208 IonicContact OD1-NH2 3.85Å; D189-R208 PolarHBondContact OD1-NH2 3.09Å; D189-R208 IonicContact OD2-CZ 3.75Å; D189-R208 IonicContact OD2-NE 3.27Å; D189-R208 IonicContact OD2-NH2 2.72Å; D189-R208 PolarHBondContact OD2-NH2 3.4Å; M192-R208 HydrophobicContact SD-CB 4.47Å; M192-R208 HydrophobicContact SD-CG 4.46Å; T204-R208 PolarHBondContact O-N 3.38Å; T205-R208 WeakPolarHBondContact O-CB 3.35Å; T205-R208 PolarHBondContact O-N 3.25Å; A206-R208 VanDerWaalsContact C-N 3.28Å; A206-R208 PolarHBondContact O-N 3.11Å; R208-V211 PolarHBondContact O-N 3.16Å; R208-R212 PolarHBondContact O-N 3.2Å
209E90.8Very high93.3Very high31 Ų3151.6 Ų51.615%0.14529%0.286CS..Hα-helixtrans-74-31.5175.8-70.2-65.4127.100113.2Q61 A206 E207 V211 R212 D213Q61-E209 PolarHBondContact NE2-OE2 3.31Å; A206-E209 WeakPolarHBondContact O-CB 3.5Å; A206-E209 PolarHBondContact O-N 3.17Å; A206-E209 VanDerWaalsContact O-N 3.12Å; E207-E209 PolarHBondContact O-N 3.01Å; E209-V211 VanDerWaalsContact C-N 3.27Å; E209-R212 WeakPolarHBondContact O-CB 3.32Å; E209-R212 PolarHBondContact O-N 3.15Å; E209-R212 IonicContact OE1-NE 3.71Å; E209-R212 IonicContact OE2-CZ 3.83Å; E209-R212 VanDerWaalsContact OE2-CZ 3.27Å; E209-R212 IonicContact OE2-NE 3.08Å; E209-R212 PolarHBondContact OE2-NE 2.86Å; E209-R212 IonicContact OE2-NH2 3.85Å; E209-R212 PolarHBondContact OE2-NH2 2.97Å; E209-D213 PolarHBondContact O-N 3.48Å
210I94.4Very high93.5Very high32 Ų3250.2 Ų50.216%0.16426%0.262CS..Hα-helixtrans-62.1-44.1171.9-54.5173.9000108.5E207 R212 D213 I214 Y242 L244 P245E207-I210 WeakPolarHBondContact O-CA 3.3Å; E207-I210 VanDerWaalsContact O-CB 3.32Å; E207-I210 WeakPolarHBondContact O-CB 3.35Å; E207-I210 PolarHBondContact O-N 3Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 2.79Å; I210-D213 PolarHBondContact O-N 3.28Å; I210-D213 VanDerWaalsContact O-N 3.12Å; I210-I214 HydrophobicContact CG2-CD1 4.18Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.38Å; I210-I214 PolarHBondContact O-N 3.17Å; I210-Y242 HydrophobicContact CG2-CE1 3.81Å; I210-L244 HydrophobicContact CG2-CD2 3.62Å; I210-P245 HydrophobicContact CD1-CG 3.82Å; I210-P245 HydrophobicContact CG1-CG 4.23Å
211V97.3Very high93.8Very high0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-61.5-38.6174.6-179.40000111.8T188 L191 M192 L195 F202 E207 R208 E209 I214 K215T188-V211 HydrophobicContact CG2-CB 4.34Å; T188-V211 HydrophobicContact CG2-CG1 4.16Å; L191-V211 HydrophobicContact CB-CG1 3.87Å; L191-V211 HydrophobicContact CD2-CG1 3.81Å; L191-V211 HydrophobicContact CG-CG1 3.77Å; M192-V211 HydrophobicContact CB-CG1 4.14Å; M192-V211 HydrophobicContact CB-CG2 4.44Å; M192-V211 HydrophobicContact CG-CG2 4.19Å; L195-V211 HydrophobicContact CD1-CG1 4.26Å; L195-V211 HydrophobicContact CD1-CG2 4.41Å; F202-V211 HydrophobicContact CB-CG2 4.01Å; F202-V211 HydrophobicContact CD1-CG2 4.17Å; F202-V211 HydrophobicContact CD2-CG2 3.59Å; F202-V211 HydrophobicContact CE2-CG2 4.04Å; F202-V211 HydrophobicContact CG-CG2 3.65Å; F202-V211 HydrophobicContact CZ-CG2 4.48Å; E207-V211 PolarHBondContact O-N 2.84Å; R208-V211 PolarHBondContact O-N 3.16Å; E209-V211 VanDerWaalsContact C-N 3.27Å; V211-I214 PolarHBondContact O-N 3.4Å; V211-K215 WeakPolarHBondContact O-CB 3.4Å; V211-K215 PolarHBondContact O-N 3.01Å
212R96.7Very high94.1Very high72 Ų7243.9 Ų43.927%0.27223%0.226SC..Hα-helixtrans-61.5-42.8172.7-173.6-174.760.972.14.2111.8T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 3.95Å; R208-R212 PolarHBondContact O-N 3.2Å; E209-R212 WeakPolarHBondContact O-CB 3.32Å; E209-R212 PolarHBondContact O-N 3.15Å; E209-R212 IonicContact OE1-NE 3.71Å; E209-R212 IonicContact OE2-CZ 3.83Å; E209-R212 VanDerWaalsContact OE2-CZ 3.27Å; E209-R212 IonicContact OE2-NE 3.08Å; E209-R212 PolarHBondContact OE2-NE 2.86Å; E209-R212 IonicContact OE2-NH2 3.85Å; E209-R212 PolarHBondContact OE2-NH2 2.97Å; I210-R212 VanDerWaalsContact C-N 3.31Å; I210-R212 PolarHBondContact O-N 2.79Å; R212-K215 VanDerWaalsContact O-CB 3.32Å; R212-K215 WeakPolarHBondContact O-CB 3.3Å; R212-K215 PolarHBondContact O-N 2.83Å; R212-E216 WeakPolarHBondContact CG-OE1 3.13Å; R212-E216 IonicContact CZ-OE1 2.61Å; R212-E216 IonicContact NH1-OE1 2.94Å; R212-E216 PolarHBondContact NH1-OE1 2.95Å; R212-E216 IonicContact NH1-OE2 3.18Å; R212-E216 PolarHBondContact NH1-OE2 3.43Å; R212-E216 WeakPolarHBondContact O-CG 3.36Å; R212-E216 PolarHBondContact O-N 3.04Å
213D96.8Very high94.4Very high36 Ų3647.6 Ų47.619%0.19325%0.246CC..Hα-helixtrans-66.8-39.9177.5-175.773.3000112E209 I210 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 3.48Å; I210-D213 PolarHBondContact O-N 3.28Å; I210-D213 VanDerWaalsContact O-N 3.12Å; D213-K215 VanDerWaalsContact C-N 3.32Å; D213-K215 PolarHBondContact O-N 2.85Å; D213-E216 PolarHBondContact O-N 2.9Å; D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.19Å; D213-K217 WeakPolarHBondContact O-CG 3.28Å; D213-K217 PolarHBondContact O-N 3.24Å; D213-K217 WeakPolarHBondContact OD1-CE 3.13Å; D213-K217 IonicContact OD1-NZ 2.85Å; D213-K217 PolarHBondContact OD1-NZ 2.93Å; D213-K217 WeakPolarHBondContact OD2-CD 3.48Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.42Å; D213-K217 IonicContact OD2-NZ 2.79Å; D213-K217 PolarHBondContact OD2-NZ 2.85Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.28Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.32Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.31Å; D213-Y242 PolarHBondContact OD2-OH 3.36Å
214I98.1Very high94.9Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-57.4-47.6171.1-68166.2000110.1L191 F202 I210 V211 E216 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CB 4.49Å; L191-I214 HydrophobicContact CD2-CG2 4.12Å; F202-I214 HydrophobicContact CZ-CD1 4.48Å; I210-I214 HydrophobicContact CG2-CD1 4.18Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.38Å; I210-I214 PolarHBondContact O-N 3.17Å; V211-I214 PolarHBondContact O-N 3.4Å; I214-E216 VanDerWaalsContact C-N 3.35Å; I214-E216 PolarHBondContact O-N 2.84Å; I214-K217 PolarHBondContact O-N 3.11Å; I214-L218 HydrophobicContact CG2-CD1 4.1Å; I214-L218 WeakPolarHBondContact O-CB 3.28Å; I214-L218 PolarHBondContact O-N 2.65Å; I214-Y242 HydrophobicContact CD1-CD1 4.05Å; I214-Y242 HydrophobicContact CD1-CE1 4.18Å; I214-Y242 HydrophobicContact CD1-CG 4.38Å; I214-Y242 HydrophobicContact CG1-CD1 3.79Å; I214-Y242 HydrophobicContact CG1-CD2 3.77Å; I214-Y242 HydrophobicContact CG1-CE1 3.79Å; I214-Y242 HydrophobicContact CG1-CE2 3.74Å; I214-Y242 HydrophobicContact CG1-CG 3.78Å; I214-I250 HydrophobicContact CD1-CD1 3.85Å; I214-I252 HydrophobicContact CG2-CD1 4.43Å; I214-I252 HydrophobicContact CG2-CG1 3.97Å
215K98.4Very high95.4Very high9 Ų943 Ų434%0.03921%0.214CC..Hα-helixtrans-56.7-47.8177.5-176.2-165.176.4-178.20111.3G184 L187 T188 L191 V211 R212 D213 C219 Y308G184-K215 PolarHBondContact O-NZ 3.26Å; L187-K215 HydrophobicContact CB-CD 4.06Å; T188-K215 PolarHBondContact OG1-NZ 2.88Å; L191-K215 HydrophobicContact CD2-CB 3.67Å; L191-K215 HydrophobicContact CD2-CG 4.37Å; V211-K215 WeakPolarHBondContact O-CB 3.4Å; V211-K215 PolarHBondContact O-N 3.01Å; R212-K215 VanDerWaalsContact O-CB 3.32Å; R212-K215 WeakPolarHBondContact O-CB 3.3Å; R212-K215 PolarHBondContact O-N 2.83Å; D213-K215 VanDerWaalsContact C-N 3.32Å; D213-K215 PolarHBondContact O-N 2.85Å; K215-C219 VanDerWaalsContact O-CB 3.23Å; K215-C219 WeakPolarHBondContact O-CB 3.29Å; K215-C219 PolarHBondContact O-N 2.9Å; K215-Y308 WeakPolarHBondContact CD-OH 3.3Å; K215-Y308 HydrophobicContact CG-CE1 4.15Å; K215-Y308 WeakPolarHBondContact CG-OH 3.28Å
216E97.6Very high96.1Very high113 Ų11345.2 Ų45.253%0.52822%0.219SC..Hα-helixtrans-70.9-35.2-177-73.1170.9-160.500112.9R212 D213 I214R212-E216 WeakPolarHBondContact CG-OE1 3.13Å; R212-E216 IonicContact CZ-OE1 2.61Å; R212-E216 IonicContact NH1-OE1 2.94Å; R212-E216 PolarHBondContact NH1-OE1 2.95Å; R212-E216 IonicContact NH1-OE2 3.18Å; R212-E216 PolarHBondContact NH1-OE2 3.43Å; R212-E216 WeakPolarHBondContact O-CG 3.36Å; R212-E216 PolarHBondContact O-N 3.04Å; D213-E216 PolarHBondContact O-N 2.9Å; I214-E216 VanDerWaalsContact C-N 3.35Å; I214-E216 PolarHBondContact O-N 2.84Å
217K98Very high96.7Very high136 Ų13647.8 Ų47.859%0.59123%0.226SC*.Hα-helixtrans-86-36.6-176.7-73176.7179.61600114.3D213 I214 Y242D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.19Å; D213-K217 WeakPolarHBondContact O-CG 3.28Å; D213-K217 PolarHBondContact O-N 3.24Å; D213-K217 WeakPolarHBondContact OD1-CE 3.13Å; D213-K217 IonicContact OD1-NZ 2.85Å; D213-K217 PolarHBondContact OD1-NZ 2.93Å; D213-K217 WeakPolarHBondContact OD2-CD 3.48Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.42Å; D213-K217 IonicContact OD2-NZ 2.79Å; D213-K217 PolarHBondContact OD2-NZ 2.85Å; I214-K217 PolarHBondContact O-N 3.11Å; K217-Y242 HydrophobicContact CD-CE2 4.25Å
218L98.3Very high97Very high26 Ų2646.8 Ų46.814%0.13622%0.222CC..Hα-helixtrans-113.8-25-165.3-54.5-174.8000114.4I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.1Å; I214-L218 WeakPolarHBondContact O-CB 3.28Å; I214-L218 PolarHBondContact O-N 2.65Å; L218-K240 HydrophobicContact CD1-CB 4.42Å; L218-K240 HydrophobicContact CD2-CB 4.34Å; L218-Y242 HydrophobicContact CD1-CD2 4.11Å; L218-Y242 HydrophobicContact CD1-CG 4.46Å; L218-I252 HydrophobicContact CD1-CB 4.26Å; L218-I252 HydrophobicContact CD1-CG1 3.82Å; L218-R256 HydrophobicContact CB-CG 4.39Å; L218-R256 VanDerWaalsContact O-CZ 3.28Å; L218-R256 PolarHBondContact O-NE 3.37Å; L218-R256 PolarHBondContact O-NH2 2.93Å
219C98.6Very high97.2Very high4 Ų447.5 Ų47.53%0.02723%0.227CC..  trans-75.3152.9-176.8-700000112.4K215 R256 P260 Y308K215-C219 VanDerWaalsContact O-CB 3.23Å; K215-C219 WeakPolarHBondContact O-CB 3.29Å; K215-C219 PolarHBondContact O-N 2.9Å; C219-R256 WeakPolarHBondContact CA-O 3.44Å; C219-R256 WeakPolarHBondContact CB-O 3.08Å; C219-R256 PolarHBondContact SG-O 3.31Å; C219-P260 HydrophobicContact CB-CG 4.38Å; C219-Y308 HydrophobicContact CB-CD1 3.93Å; C219-Y308 HydrophobicContact CB-CE1 3.56Å
220Y98.8Very high97.5Very high34 Ų3448.8 Ų48.813%0.13324%0.243CC..  trans-153.7155.8179.165.6-81.2000110E228 R256 F257 P260Y220-E228 WeakPolarHBondContact CE2-OE1 3.3Å; Y220-E228 PolarHBondContact OH-OE1 2.96Å; Y220-R256 HydrophobicContact CD1-CB 4.08Å; Y220-R256 HydrophobicContact CE1-CB 3.82Å; Y220-R256 PolarHBondContact N-O 2.88Å; Y220-R256 VanDerWaalsContact N-O 3.12Å; Y220-F257 HydrophobicContact CD1-CB 4.49Å; Y220-F257 HydrophobicContact CD2-CB 4.29Å; Y220-F257 HydrophobicContact CE1-CB 4.14Å; Y220-F257 HydrophobicContact CE1-CD1 4.19Å; Y220-F257 HydrophobicContact CE2-CB 3.94Å; Y220-F257 HydrophobicContact CE2-CD1 4.45Å; Y220-F257 HydrophobicContact CE2-CG 4.49Å; Y220-F257 AromaticContact CZ-CD1 3.74Å; Y220-F257 VanDerWaalsContact O-CA 3.26Å; Y220-F257 WeakPolarHBondContact O-CA 3.18Å; Y220-F257 WeakPolarHBondContact O-CB 3.38Å; Y220-F257 VanDerWaalsContact OH-CD1 3.3Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.22Å; Y220-P260 WeakPolarHBondContact O-CG 3.24Å
221V98.8Very high97.6Very high4 Ų449.5 Ų49.52%0.02425%0.249CC..  trans-91.9122.5174.9172.80000108.8P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.81Å; V221-P260 HydrophobicContact CG2-CG 4.22Å; V221-F264 HydrophobicContact CG1-CE2 3.64Å; V221-F264 HydrophobicContact CG1-CZ 4.07Å; V221-F264 HydrophobicContact CG2-CE2 4.16Å; V221-Y308 HydrophobicContact CG2-CD2 4.45Å; V221-Y308 HydrophobicContact CG2-CG 4.33Å; V221-P309 PolarHBondContact N-O 3.28Å; V221-I311 HydrophobicContact CB-CB 4.35Å; V221-I311 HydrophobicContact CG2-CB 4.03Å; V221-I311 HydrophobicContact CG2-CG1 4.22Å; V221-R314 HydrophobicContact CG1-CB 3.52Å; V221-R314 HydrophobicContact CG1-CG 3.71Å
222A98.3Very high97.5Very high3 Ų350.6 Ų50.63%0.02526%0.259CS..  trans-75.7141.6173.300000111.1E228 F257 R314A222-E228 HydrophobicContact CB-CB 3.78Å; A222-E228 HydrophobicContact CB-CG 3.8Å; A222-F257 HydrophobicContact CB-CB 4.36Å; A222-F257 HydrophobicContact CB-CD2 4.45Å; A222-R314 WeakPolarHBondContact O-CD 3.2Å; A222-R314 PolarHBondContact O-NH1 2.82Å
223L98.1Very high97.4Very high91 Ų9151.5 Ų51.548%0.47628%0.282SS..SBendtrans-70.6-34.2175.7-176.165.6000112.1D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.21Å; L223-R314 WeakPolarHBondContact O-CD 3.36Å; L223-K317 HydrophobicContact CD1-CB 4.03Å; L223-K317 HydrophobicContact CD1-CD 3.81Å; L223-K317 HydrophobicContact CG-CD 4.09Å; L223-K317 PolarHBondContact O-NZ 3.08Å
224D97.8Very high97.3Very high73 Ų7354.6 Ų54.639%0.3931%0.306SS..SBendtrans-133.6100.4174.8-166.7-53000108.5E226 N227 E228 K317D224-E226 PolarHBondContact O-N 2.74Å; D224-E226 PolarHBondContact OD1-N 3.34Å; D224-N227 HydrophobicContact CB-CB 4.1Å; D224-N227 PolarHBondContact OD1-N 3.33Å; D224-N227 VanDerWaalsContact OD1-N 3.09Å; D224-E228 WeakPolarHBondContact O-CB 3.18Å; D224-E228 PolarHBondContact O-N 2.82Å; D224-K317 IonicContact OD2-NZ 3.49Å; D224-K317 PolarHBondContact OD2-NZ 3.3Å
225F97.3Very high97Very high15 Ų1556.9 Ų56.97%0.06632%0.322CS..Hα-helixtrans-62.4-41.9-173.1177.3-101.9000112.7E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 2.78Å; F225-M229 HydrophobicContact CD1-CG 4.29Å; F225-M229 HydrophobicContact CE1-CG 3.79Å; F225-M229 HydrophobicContact CE2-CG 4.11Å; F225-M229 HydrophobicContact CE2-SD 4.36Å; F225-M229 HydrophobicContact CZ-CG 3.68Å; F225-M229 HydrophobicContact CZ-SD 4.02Å; F225-M229 WeakPolarHBondContact O-CG 3.38Å; F225-M229 PolarHBondContact O-N 2.94Å; F225-F257 AromaticContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CE2 4.11Å; F225-F257 AromaticContact CE2-CD2 3.72Å; F225-F257 HydrophobicContact CE2-CD2 3.72Å; F225-F257 AromaticContact CE2-CE2 3.84Å; F225-F257 HydrophobicContact CE2-CE2 3.84Å; F225-R258 HydrophobicContact CE2-CG 3.95Å; F225-R258 HydrophobicContact CZ-CG 4.03Å; F225-E261 HydrophobicContact CB-CG 4.45Å; F225-E261 HydrophobicContact CD1-CG 4.21Å; F225-E261 HydrophobicContact CD2-CB 3.79Å; F225-E261 HydrophobicContact CD2-CG 3.48Å; F225-E261 VanDerWaalsContact CD2-CG 3.48Å; F225-E261 HydrophobicContact CE1-CG 4.36Å; F225-E261 HydrophobicContact CE2-CB 3.74Å; F225-E261 HydrophobicContact CE2-CG 3.68Å; F225-E261 HydrophobicContact CG-CG 3.78Å; F225-E261 HydrophobicContact CZ-CB 4.46Å; F225-E261 HydrophobicContact CZ-CG 4.12Å; F225-F268 HydrophobicContact CE1-CE2 4.37Å; F225-F268 AromaticContact CE1-CZ 3.95Å; F225-F268 HydrophobicContact CE1-CZ 3.95Å; F225-F268 HydrophobicContact CE2-CE2 4.46Å; F225-F268 AromaticContact CZ-CE2 3.89Å; F225-F268 HydrophobicContact CZ-CE2 3.89Å; F225-F268 AromaticContact CZ-CZ 3.91Å; F225-F268 HydrophobicContact CZ-CZ 3.91Å
226E97.1Very high96.7Very high126 Ų12660.4 Ų60.459%0.58935%0.348SS*.Hα-helixtrans-67.7-42.6-177.6-64-57.1145.100111.6D224 E228 M229 A230D224-E226 PolarHBondContact O-N 2.74Å; D224-E226 PolarHBondContact OD1-N 3.34Å; E226-E228 VanDerWaalsContact C-N 3.34Å; E226-M229 PolarHBondContact O-N 2.75Å; E226-A230 PolarHBondContact O-N 2.98Å
227N96.6Very high96.4Very high99 Ų9959 Ų5953%0.52935%0.351SS..Hα-helixtrans-66.9-36.8175.2-173.742.2000112.1D224 A230 T231D224-N227 HydrophobicContact CB-CB 4.1Å; D224-N227 PolarHBondContact OD1-N 3.33Å; D224-N227 VanDerWaalsContact OD1-N 3.09Å; N227-A230 PolarHBondContact O-N 2.95Å; N227-T231 PolarHBondContact O-N 3.06Å; N227-T231 PolarHBondContact O-OG1 3.45Å
228E97.4Very high96.2Very high39 Ų3954 Ų5418%0.18233%0.33CS..Hα-helixtrans-64.9-41.2175.9-160.878.5-172.300111.1Y220 A222 D224 F225 E226 T231 A232 L238 F257Y220-E228 WeakPolarHBondContact CE2-OE1 3.3Å; Y220-E228 PolarHBondContact OH-OE1 2.96Å; A222-E228 HydrophobicContact CB-CB 3.78Å; A222-E228 HydrophobicContact CB-CG 3.8Å; D224-E228 WeakPolarHBondContact O-CB 3.18Å; D224-E228 PolarHBondContact O-N 2.82Å; F225-E228 PolarHBondContact O-N 2.78Å; E226-E228 VanDerWaalsContact C-N 3.34Å; E228-T231 PolarHBondContact O-N 2.9Å; E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 2.72Å; E228-L238 HydrophobicContact CG-CD1 4.24Å; E228-F257 HydrophobicContact CB-CD2 4.19Å; E228-F257 HydrophobicContact CB-CE2 3.87Å; E228-F257 HydrophobicContact CB-CZ 4.07Å; E228-F257 HydrophobicContact CG-CD1 3.79Å; E228-F257 HydrophobicContact CG-CD2 3.87Å; E228-F257 HydrophobicContact CG-CE1 3.66Å; E228-F257 HydrophobicContact CG-CE2 3.76Å; E228-F257 HydrophobicContact CG-CG 3.88Å; E228-F257 HydrophobicContact CG-CZ 3.66Å
229M97.4Very high96.1Very high54 Ų5456.7 Ų56.727%0.26634%0.342SS..Hα-helixtrans-60.3-45.2172.6-79.7-58.8-63.100112.2F225 E226 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.29Å; F225-M229 HydrophobicContact CE1-CG 3.79Å; F225-M229 HydrophobicContact CE2-CG 4.11Å; F225-M229 HydrophobicContact CE2-SD 4.36Å; F225-M229 HydrophobicContact CZ-CG 3.68Å; F225-M229 HydrophobicContact CZ-SD 4.02Å; F225-M229 WeakPolarHBondContact O-CG 3.38Å; F225-M229 PolarHBondContact O-N 2.94Å; E226-M229 PolarHBondContact O-N 2.75Å; M229-T231 VanDerWaalsContact C-N 3.34Å; M229-T231 PolarHBondContact O-N 3.11Å; M229-A232 PolarHBondContact O-N 3.45Å; M229-A233 PolarHBondContact O-N 3.28Å; M229-N254 HydrophobicContact SD-CB 4.33Å; M229-F257 HydrophobicContact CG-CE2 3.8Å; M229-F257 HydrophobicContact CG-CZ 4.3Å; M229-F257 HydrophobicContact SD-CE2 3.5Å; M229-F257 VanDerWaalsContact SD-CE2 3.5Å; M229-F257 HydrophobicContact SD-CZ 3.71Å; M229-R258 HydrophobicContact SD-CG 3.81Å
230A97.1Very high96Very high58 Ų5861.7 Ų61.748%0.47936%0.363SS..Hα-helixtrans-61.6-42.7176.400000111.8E226 N227 A233 S234E226-A230 PolarHBondContact O-N 2.98Å; N227-A230 PolarHBondContact O-N 2.95Å; A230-A233 PolarHBondContact O-N 3.46Å; A230-S234 PolarHBondContact O-N 3.28Å; A230-S234 VanDerWaalsContact O-N 3.17Å; A230-S234 PolarHBondContact O-OG 2.81Å
231T95.9Very high95.9Very high47 Ų4763.9 Ų63.929%0.28838%0.384SS..Hα-helixtrans-61.8-46.6177.1-59.20000110.9N227 E228 M229 A233 S234 S235 L238N227-T231 PolarHBondContact O-N 3.06Å; N227-T231 PolarHBondContact O-OG1 3.45Å; E228-T231 PolarHBondContact O-N 2.9Å; M229-T231 VanDerWaalsContact C-N 3.34Å; M229-T231 PolarHBondContact O-N 3.11Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 2.9Å; T231-S234 PolarHBondContact O-N 2.89Å; T231-S234 VanDerWaalsContact O-N 3.08Å; T231-S234 PolarHBondContact O-OG 3.28Å; T231-S235 WeakPolarHBondContact O-CB 3.14Å; T231-S235 PolarHBondContact O-N 3.11Å; T231-L238 HydrophobicContact CG2-CD1 4Å; T231-L238 HydrophobicContact CG2-CG 4.45Å
232A95.2Very high95.9Very high24 Ų2465.1 Ų65.120%0.19839%0.388CS..Hα-helixtrans-63-30.7177.600000113.2E228 M229 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.45Å; E228-A232 PolarHBondContact O-N 2.72Å; M229-A232 PolarHBondContact O-N 3.45Å; A232-L238 HydrophobicContact CB-CD1 3.98Å; A232-N254 HydrophobicContact CB-CB 3.9Å; A232-F257 HydrophobicContact CB-CE1 4.12Å; A232-F257 HydrophobicContact CB-CZ 4.01Å
233A95.1Very high95.8Very high91 Ų9171.4 Ų71.475%0.75242%0.417SS*.Hα-helixtrans-72.3-29.6174.700000112.6M229 A230 T231M229-A233 PolarHBondContact O-N 3.28Å; A230-A233 PolarHBondContact O-N 3.46Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 2.9Å
234S93.9Very high95.6Very high101 Ų10168 Ų6871%0.70640%0.399SS*.Hα-helixtrans-95.9-13.9-178.967.40000115.4A230 T231A230-S234 PolarHBondContact O-N 3.28Å; A230-S234 VanDerWaalsContact O-N 3.17Å; A230-S234 PolarHBondContact O-OG 2.81Å; T231-S234 PolarHBondContact O-N 2.89Å; T231-S234 VanDerWaalsContact O-N 3.08Å; T231-S234 PolarHBondContact O-OG 3.28Å
235S92.2Very high95.3Very high48 Ų4869.7 Ų69.734%0.33641%0.414SS..  trans-149.4143.2-169.7-174.10000112.5T231 S237T231-S235 WeakPolarHBondContact O-CB 3.14Å; T231-S235 PolarHBondContact O-N 3.11Å; S235-S237 VanDerWaalsContact C-N 3.32Å; S235-S237 WeakPolarHBondContact OG-CB 3.09Å; S235-S237 PolarHBondContact OG-N 3.44Å; S235-S237 VanDerWaalsContact OG-N 3.12Å; S235-S237 PolarHBondContact OG-OG 3.03Å
236S91.5Very high95Very high83 Ų8374.6 Ų74.658%0.5844%0.441SS*.SBendtrans-87.64.6169.657.10000113.6L238 E239S236-L238 PolarHBondContact O-N 3.32Å; S236-L238 VanDerWaalsContact O-N 3.13Å; S236-E239 WeakPolarHBondContact O-CB 3.23Å; S236-E239 PolarHBondContact O-N 3.36Å
237S91.8Very high94.8Very high84 Ų8470.6 Ų70.659%0.58743%0.433SS*.THydrogen-bonded Turntrans-61.2-22.9-178.256.30000114.2S235S235-S237 VanDerWaalsContact C-N 3.32Å; S235-S237 WeakPolarHBondContact OG-CB 3.09Å; S235-S237 PolarHBondContact OG-N 3.44Å; S235-S237 VanDerWaalsContact OG-N 3.12Å; S235-S237 PolarHBondContact OG-OG 3.03Å
238L93.3Very high94.7Very high31 Ų3170.8 Ų70.816%0.16243%0.431CS..THydrogen-bonded Turntrans-87.2-8.2177.5-58179.1000113E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 4.24Å; T231-L238 HydrophobicContact CG2-CD1 4Å; T231-L238 HydrophobicContact CG2-CG 4.45Å; A232-L238 HydrophobicContact CB-CD1 3.98Å; S236-L238 PolarHBondContact O-N 3.32Å; S236-L238 VanDerWaalsContact O-N 3.13Å; L238-R256 PolarHBondContact O-NH1 2.9Å; L238-F257 HydrophobicContact CD1-CE1 4.27Å
239E95.8Very high94.6Very high81 Ų8173 Ų7338%0.37945%0.447SS..  trans-71.9143.4179.1-61.4-167.5144.500111.5R198 S236 T251 I252R198-E239 IonicContact NH2-OE1 2.71Å; R198-E239 PolarHBondContact NH2-OE1 3.21Å; S236-E239 WeakPolarHBondContact O-CB 3.23Å; S236-E239 PolarHBondContact O-N 3.36Å; E239-T251 HydrophobicContact CB-CG2 3.78Å; E239-T251 HydrophobicContact CG-CG2 4.18Å; E239-I252 WeakPolarHBondContact CA-O 3.37Å
240K97.3Very high94.6Very high109 Ų10970.5 Ų70.547%0.47444%0.435SS..EExtended strand (participates in β ladder)trans-132.5140.5173-71.4-67.7-177.8-178.30110.3L218 I252 R256L218-K240 HydrophobicContact CD1-CB 4.42Å; L218-K240 HydrophobicContact CD2-CB 4.34Å; K240-I252 PolarHBondContact N-O 3.04Å; K240-I252 PolarHBondContact O-N 2.91Å; K240-R256 VanDerWaalsContact CG-CZ 3.42Å; K240-R256 VanDerWaalsContact CG-NH1 3.33Å
241S96.8Very high94.6Very high81 Ų8169.8 Ų69.857%0.56642%0.424SS*.EExtended strand (participates in β ladder)trans-87.1147.4173.8-58.30000111.1I250S241-I250 CarbonylContact C-O 3.59Å; S241-I250 VanDerWaalsContact CA-O 3.27Å; S241-I250 WeakPolarHBondContact CA-O 3.48Å
242Y97.4Very high94.6Very high29 Ų2967.5 Ų67.511%0.11441%0.411CS..EExtended strand (participates in β ladder)trans-134.4133.4175-176.3-88.3000109.3I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.81Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.28Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.32Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.31Å; D213-Y242 PolarHBondContact OD2-OH 3.36Å; I214-Y242 HydrophobicContact CD1-CD1 4.05Å; I214-Y242 HydrophobicContact CD1-CE1 4.18Å; I214-Y242 HydrophobicContact CD1-CG 4.38Å; I214-Y242 HydrophobicContact CG1-CD1 3.79Å; I214-Y242 HydrophobicContact CG1-CD2 3.77Å; I214-Y242 HydrophobicContact CG1-CE1 3.79Å; I214-Y242 HydrophobicContact CG1-CE2 3.74Å; I214-Y242 HydrophobicContact CG1-CG 3.78Å; K217-Y242 HydrophobicContact CD-CE2 4.25Å; L218-Y242 HydrophobicContact CD1-CD2 4.11Å; L218-Y242 HydrophobicContact CD1-CG 4.46Å; Y242-L244 HydrophobicContact CD1-CD2 4.1Å; Y242-L244 HydrophobicContact CE1-CD2 4.05Å; Y242-V249 CarbonylContact O-C 3.58Å; Y242-V249 WeakPolarHBondContact O-CA 3.15Å; Y242-I250 HydrophobicContact CD1-CD1 4.44Å; Y242-I250 HydrophobicContact CD1-CG1 4.34Å; Y242-I250 PolarHBondContact N-O 2.85Å; Y242-I250 PolarHBondContact O-N 2.69Å
243E96.8Very high94.7Very high135 Ų13566.5 Ų66.563%0.63140%0.403SS*.EExtended strand (participates in β ladder)trans-93.9118.8177.4-170.9178.2162.800109.8V249E243-V249 HydrophobicContact CB-CG2 4.45Å; E243-V249 HydrophobicContact CG-CG2 4.38Å
244L94.3Very high94.8Very high19 Ų1964 Ų6410%0.09938%0.377CS..  trans-71.8161.2175.4-65.9178.7000110.9F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 4.14Å; F202-L244 HydrophobicContact CZ-CD2 4.4Å; I210-L244 HydrophobicContact CG2-CD2 3.62Å; Y242-L244 HydrophobicContact CD1-CD2 4.1Å; Y242-L244 HydrophobicContact CE1-CD2 4.05Å; L244-D246 WeakPolarHBondContact CB-OD1 3.4Å; L244-D246 PolarHBondContact O-N 2.87Å; L244-G247 PolarHBondContact O-N 2.87Å; L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 VanDerWaalsContact CB-O 3.32Å; L244-Q248 WeakPolarHBondContact CB-O 3.4Å; L244-Q248 HydrophobicContact CD1-CB 4.13Å; L244-Q248 HydrophobicContact CD1-CG 4.31Å; L244-Q248 WeakPolarHBondContact CG-O 3.47Å; L244-Q248 PolarHBondContact N-O 2.87Å; L244-I250 HydrophobicContact CD1-CG2 3.77Å; L244-I250 HydrophobicContact CD2-CD1 4.01Å; L244-I250 HydrophobicContact CG-CD1 4.41Å; L244-I250 HydrophobicContact CG-CG1 4.49Å; L244-I250 HydrophobicContact CG-CG2 4.17Å
245P91Very high95Very high110 Ų11059.5 Ų59.571%0.71434%0.344SS*.THydrogen-bonded Turntrans-59.6-19.4179.9-26.236000115.5I210 G247I210-P245 HydrophobicContact CD1-CG 3.82Å; I210-P245 HydrophobicContact CG1-CG 4.23Å; P245-G247 VanDerWaalsContact C-N 3.33Å
246D90.8Very high95.3Very high118 Ų11858.7 Ų58.763%0.63133%0.334SS*.THydrogen-bonded Turntrans-88.81.9175.362.80.4000113.3L244 Q248L244-D246 WeakPolarHBondContact CB-OD1 3.4Å; L244-D246 PolarHBondContact O-N 2.87Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.25Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.4Å; D246-Q248 PolarHBondContact OD1-N 3.4Å
247G93.3Very high95.6Very high41 Ų4154.7 Ų54.742%0.42331%0.306SS..SBendtrans85.2-1.8-177.200000114.3L244 P245 V249L244-G247 PolarHBondContact O-N 2.87Å; P245-G247 VanDerWaalsContact C-N 3.33Å; G247-V249 PolarHBondContact O-N 3.34Å
248Q94.5Very high95.9Very high104 Ų10453.1 Ų53.149%0.48629%0.287SS..  trans-70.4129.3175.8179.1179.3-7.100110.4L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 VanDerWaalsContact CB-O 3.32Å; L244-Q248 WeakPolarHBondContact CB-O 3.4Å; L244-Q248 HydrophobicContact CD1-CB 4.13Å; L244-Q248 HydrophobicContact CD1-CG 4.31Å; L244-Q248 WeakPolarHBondContact CG-O 3.47Å; L244-Q248 PolarHBondContact N-O 2.87Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.25Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.4Å; D246-Q248 PolarHBondContact OD1-N 3.4Å; Q248-I250 HydrophobicContact CG-CG2 4.45Å
249V96.3Very high96.2Very high85 Ų8551.6 Ų51.652%0.51528%0.279SS..EExtended strand (participates in β ladder)trans-93.9124176-177.20000110.2Y242 E243 G247Y242-V249 CarbonylContact O-C 3.58Å; Y242-V249 WeakPolarHBondContact O-CA 3.15Å; E243-V249 HydrophobicContact CB-CG2 4.45Å; E243-V249 HydrophobicContact CG-CG2 4.38Å; G247-V249 PolarHBondContact O-N 3.34Å
250I95.9Very high96.3Very high1 Ų147.8 Ų47.81%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-110.3154.1174.865172.3000110.8Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.33Å; Y200-I250 HydrophobicContact CD1-CG2 3.85Å; Y200-I250 HydrophobicContact CE1-CB 3.8Å; Y200-I250 HydrophobicContact CE1-CG2 3.5Å; Y200-I250 HydrophobicContact CE2-CB 4.08Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å; I214-I250 HydrophobicContact CD1-CD1 3.85Å; S241-I250 CarbonylContact C-O 3.59Å; S241-I250 VanDerWaalsContact CA-O 3.27Å; S241-I250 WeakPolarHBondContact CA-O 3.48Å; Y242-I250 HydrophobicContact CD1-CD1 4.44Å; Y242-I250 HydrophobicContact CD1-CG1 4.34Å; Y242-I250 PolarHBondContact N-O 2.85Å; Y242-I250 PolarHBondContact O-N 2.69Å; L244-I250 HydrophobicContact CD1-CG2 3.77Å; L244-I250 HydrophobicContact CD2-CD1 4.01Å; L244-I250 HydrophobicContact CG-CD1 4.41Å; L244-I250 HydrophobicContact CG-CG1 4.49Å; L244-I250 HydrophobicContact CG-CG2 4.17Å; Q248-I250 HydrophobicContact CG-CG2 4.45Å; I250-I252 HydrophobicContact CD1-CD1 3.63Å; I250-I252 HydrophobicContact CG1-CD1 3.88Å
251T96.8Very high96.3Very high43 Ų4342.6 Ų42.626%0.26424%0.239SC..EExtended strand (participates in β ladder)trans-110.7121.1179.1-62.10000110.3R198 Y200 E239R198-T251 PolarHBondContact NE-O 3.37Å; Y200-T251 WeakPolarHBondContact CE2-O 3.45Å; Y200-T251 PolarHBondContact OH-N 2.89Å; Y200-T251 VanDerWaalsContact OH-N 3.11Å; E239-T251 HydrophobicContact CB-CG2 3.78Å; E239-T251 HydrophobicContact CG-CG2 4.18Å
252I97.3Very high96.4Very high0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-103.4122175.8-41.9-48.3000108.3L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.7Å; L195-I252 HydrophobicContact CD2-CG2 4.24Å; I214-I252 HydrophobicContact CG2-CD1 4.43Å; I214-I252 HydrophobicContact CG2-CG1 3.97Å; L218-I252 HydrophobicContact CD1-CB 4.26Å; L218-I252 HydrophobicContact CD1-CG1 3.82Å; E239-I252 WeakPolarHBondContact CA-O 3.37Å; K240-I252 PolarHBondContact N-O 3.04Å; K240-I252 PolarHBondContact O-N 2.91Å; I250-I252 HydrophobicContact CD1-CD1 3.63Å; I250-I252 HydrophobicContact CG1-CD1 3.88Å; I252-E255 HydrophobicContact CG2-CB 4.13Å; I252-R256 HydrophobicContact CB-CG 4.05Å; I252-R256 HydrophobicContact CG2-CG 3.53Å; I252-R256 WeakPolarHBondContact O-CD 3.42Å
253G96.6Very high96.5Very high3 Ų337.4 Ų37.43%0.03121%0.207CC..  trans-106.6-117.2-17600000112E255 R256G253-E255 VanDerWaalsContact C-OE2 3.22Å; G253-E255 VanDerWaalsContact CA-OE2 3.29Å; G253-E255 WeakPolarHBondContact CA-OE2 3.4Å; G253-E255 PolarHBondContact N-OE2 3.3Å; G253-E255 PolarHBondContact O-N 3.18Å; G253-R256 WeakPolarHBondContact O-CB 3.47Å; G253-R256 WeakPolarHBondContact O-CD 3.38Å; G253-R256 WeakPolarHBondContact O-CG 3.44Å; G253-R256 PolarHBondContact O-N 3.04Å
254N97.2Very high96.5Very high38 Ų3831.2 Ų31.220%0.20318%0.178CC..THydrogen-bonded Turntrans-67.6-15.2-177.36726.7000114M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.33Å; A232-N254 HydrophobicContact CB-CB 3.9Å; N254-R256 PolarHBondContact O-N 2.91Å; N254-R256 VanDerWaalsContact O-N 3.14Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CZ 3.66Å; N254-F257 PolarHBondContact O-N 3.04Å; N254-R258 WeakPolarHBondContact O-CB 3.21Å; N254-R258 VanDerWaalsContact O-CG 3.29Å; N254-R258 WeakPolarHBondContact O-CG 3.23Å; N254-R258 PolarHBondContact O-N 3.12Å; N254-R258 VanDerWaalsContact OD1-CD 3.22Å; N254-R258 WeakPolarHBondContact OD1-CD 3.35Å; N254-R258 PolarHBondContact OD1-NH1 3.09Å
255E97.9Very high96.7Very high6 Ų633.1 Ų33.13%0.02819%0.186CC..Hα-helixtrans-58.9-27.7174.9-5679.1-169.500111.3L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 4Å; I194-E255 HydrophobicContact CB-CG 4.31Å; I194-E255 HydrophobicContact CD1-CB 3.66Å; I194-E255 HydrophobicContact CD1-CG 3.96Å; I194-E255 HydrophobicContact CG1-CB 3.97Å; I194-E255 HydrophobicContact CG1-CG 3.85Å; L195-E255 HydrophobicContact CD2-CB 4.44Å; L195-E255 HydrophobicContact CD2-CG 4.31Å; R198-E255 VanDerWaalsContact CD-OE1 3.24Å; R198-E255 WeakPolarHBondContact CD-OE1 3.4Å; R198-E255 IonicContact CZ-OE1 3.28Å; R198-E255 IonicContact CZ-OE2 2.78Å; R198-E255 IonicContact NE-OE1 2.6Å; R198-E255 VanDerWaalsContact NH1-CD 3.34Å; R198-E255 IonicContact NH1-OE1 2.86Å; R198-E255 PolarHBondContact NH1-OE1 3.08Å; R198-E255 IonicContact NH1-OE2 3.9Å; R198-E255 PolarHBondContact NH1-OE2 3.33Å; R198-E255 VanDerWaalsContact NH1-OE2 3.08Å; I252-E255 HydrophobicContact CG2-CB 4.13Å; G253-E255 VanDerWaalsContact C-OE2 3.22Å; G253-E255 VanDerWaalsContact CA-OE2 3.29Å; G253-E255 WeakPolarHBondContact CA-OE2 3.4Å; G253-E255 PolarHBondContact N-OE2 3.3Å; G253-E255 PolarHBondContact O-N 3.18Å; E255-F257 VanDerWaalsContact C-N 3.28Å; E255-F257 PolarHBondContact O-N 3.48Å; E255-C259 VanDerWaalsContact O-CB 3.29Å; E255-C259 WeakPolarHBondContact O-CB 3.47Å; E255-C259 PolarHBondContact O-N 3.05Å
256R98.3Very high97Very high31 Ų3128.1 Ų28.112%0.11715%0.154CC..Hα-helixtrans-56.2-39.2178.5-65176.664.2-137.9-10.4112.7L218 C219 Y220 L238 K240 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.39Å; L218-R256 VanDerWaalsContact O-CZ 3.28Å; L218-R256 PolarHBondContact O-NE 3.37Å; L218-R256 PolarHBondContact O-NH2 2.93Å; C219-R256 WeakPolarHBondContact CA-O 3.44Å; C219-R256 WeakPolarHBondContact CB-O 3.08Å; C219-R256 PolarHBondContact SG-O 3.31Å; Y220-R256 HydrophobicContact CD1-CB 4.08Å; Y220-R256 HydrophobicContact CE1-CB 3.82Å; Y220-R256 PolarHBondContact N-O 2.88Å; Y220-R256 VanDerWaalsContact N-O 3.12Å; L238-R256 PolarHBondContact O-NH1 2.9Å; K240-R256 VanDerWaalsContact CG-CZ 3.42Å; K240-R256 VanDerWaalsContact CG-NH1 3.33Å; I252-R256 HydrophobicContact CB-CG 4.05Å; I252-R256 HydrophobicContact CG2-CG 3.53Å; I252-R256 WeakPolarHBondContact O-CD 3.42Å; G253-R256 WeakPolarHBondContact O-CB 3.47Å; G253-R256 WeakPolarHBondContact O-CD 3.38Å; G253-R256 WeakPolarHBondContact O-CG 3.44Å; G253-R256 PolarHBondContact O-N 3.04Å; N254-R256 PolarHBondContact O-N 2.91Å; N254-R256 VanDerWaalsContact O-N 3.14Å; R256-P260 VanDerWaalsContact O-CD 3.32Å; R256-P260 WeakPolarHBondContact O-CD 3.44Å
257F98.4Very high97.3Very high0 Ų026.1 Ų26.10%015%0.149CC..Hα-helixtrans-108.8-22.1179.964.2-94.4000113.5Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261Y220-F257 HydrophobicContact CD1-CB 4.49Å; Y220-F257 HydrophobicContact CD2-CB 4.29Å; Y220-F257 HydrophobicContact CE1-CB 4.14Å; Y220-F257 HydrophobicContact CE1-CD1 4.19Å; Y220-F257 HydrophobicContact CE2-CB 3.94Å; Y220-F257 HydrophobicContact CE2-CD1 4.45Å; Y220-F257 HydrophobicContact CE2-CG 4.49Å; Y220-F257 AromaticContact CZ-CD1 3.74Å; Y220-F257 VanDerWaalsContact O-CA 3.26Å; Y220-F257 WeakPolarHBondContact O-CA 3.18Å; Y220-F257 WeakPolarHBondContact O-CB 3.38Å; Y220-F257 VanDerWaalsContact OH-CD1 3.3Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.22Å; A222-F257 HydrophobicContact CB-CB 4.36Å; A222-F257 HydrophobicContact CB-CD2 4.45Å; F225-F257 AromaticContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CD2 3.82Å; F225-F257 HydrophobicContact CD2-CE2 4.11Å; F225-F257 AromaticContact CE2-CD2 3.72Å; F225-F257 HydrophobicContact CE2-CD2 3.72Å; F225-F257 AromaticContact CE2-CE2 3.84Å; F225-F257 HydrophobicContact CE2-CE2 3.84Å; E228-F257 HydrophobicContact CB-CD2 4.19Å; E228-F257 HydrophobicContact CB-CE2 3.87Å; E228-F257 HydrophobicContact CB-CZ 4.07Å; E228-F257 HydrophobicContact CG-CD1 3.79Å; E228-F257 HydrophobicContact CG-CD2 3.87Å; E228-F257 HydrophobicContact CG-CE1 3.66Å; E228-F257 HydrophobicContact CG-CE2 3.76Å; E228-F257 HydrophobicContact CG-CG 3.88Å; E228-F257 HydrophobicContact CG-CZ 3.66Å; M229-F257 HydrophobicContact CG-CE2 3.8Å; M229-F257 HydrophobicContact CG-CZ 4.3Å; M229-F257 HydrophobicContact SD-CE2 3.5Å; M229-F257 VanDerWaalsContact SD-CE2 3.5Å; M229-F257 HydrophobicContact SD-CZ 3.71Å; A232-F257 HydrophobicContact CB-CE1 4.12Å; A232-F257 HydrophobicContact CB-CZ 4.01Å; L238-F257 HydrophobicContact CD1-CE1 4.27Å; N254-F257 VanDerWaalsContact CA-CE1 3.49Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CZ 3.66Å; N254-F257 PolarHBondContact O-N 3.04Å; E255-F257 VanDerWaalsContact C-N 3.28Å; E255-F257 PolarHBondContact O-N 3.48Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 3.4Å; F257-P260 WeakPolarHBondContact O-CD 3.33Å; F257-E261 WeakPolarHBondContact O-CB 3.46Å; F257-E261 PolarHBondContact O-N 3.39Å
258R98.3Very high97.4Very high50 Ų5026.9 Ų26.919%0.18914%0.141CC..Hα-helixtrans-62.6-37.9169.8-72.4172.163.9-154-3.1112.8I194 E197 F225 M229 N254 E261I194-R258 HydrophobicContact CD1-CB 4.28Å; E197-R258 IonicContact OE2-NH2 3.67Å; F225-R258 HydrophobicContact CE2-CG 3.95Å; F225-R258 HydrophobicContact CZ-CG 4.03Å; M229-R258 HydrophobicContact SD-CG 3.81Å; N254-R258 WeakPolarHBondContact O-CB 3.21Å; N254-R258 VanDerWaalsContact O-CG 3.29Å; N254-R258 WeakPolarHBondContact O-CG 3.23Å; N254-R258 PolarHBondContact O-N 3.12Å; N254-R258 VanDerWaalsContact OD1-CD 3.22Å; N254-R258 WeakPolarHBondContact OD1-CD 3.35Å; N254-R258 PolarHBondContact OD1-NH1 3.09Å; R258-E261 PolarHBondContact O-N 2.88Å
259C98.5Very high97.5Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-58.6-58.8179168.90000112.6L187 L191 I194 E255 F257 E261 T262L187-C259 PolarHBondContact O-SG 2.86Å; L191-C259 HydrophobicContact CB-CB 4.28Å; L191-C259 HydrophobicContact CD1-CB 4.02Å; I194-C259 HydrophobicContact CD1-CB 4.28Å; E255-C259 VanDerWaalsContact O-CB 3.29Å; E255-C259 WeakPolarHBondContact O-CB 3.47Å; E255-C259 PolarHBondContact O-N 3.05Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 3.4Å; C259-E261 VanDerWaalsContact C-N 3.27Å; C259-E261 PolarHBondContact O-N 3.19Å; C259-T262 WeakPolarHBondContact O-CB 3.42Å; C259-T262 PolarHBondContact O-N 2.89Å; C259-T262 PolarHBondContact O-OG1 3.49Å; C259-T262 VanDerWaalsContact O-OG1 3.09Å
260P98.4Very high97.4Very high0 Ų023.5 Ų23.50%014%0.138CC..Hα-helixtrans-73.5-14.1-18030.1-37.1000114C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.38Å; Y220-P260 WeakPolarHBondContact O-CG 3.24Å; V221-P260 HydrophobicContact CG2-CB 3.81Å; V221-P260 HydrophobicContact CG2-CG 4.22Å; R256-P260 VanDerWaalsContact O-CD 3.32Å; R256-P260 WeakPolarHBondContact O-CD 3.44Å; F257-P260 WeakPolarHBondContact O-CD 3.33Å; P260-T262 PolarHBondContact O-N 3.42Å; P260-L263 WeakPolarHBondContact O-CB 3.39Å; P260-L263 PolarHBondContact O-N 3.33Å; P260-L263 VanDerWaalsContact O-N 3.1Å; P260-Y308 HydrophobicContact CB-CD1 4.26Å; P260-Y308 HydrophobicContact CB-CD2 3.79Å; P260-Y308 HydrophobicContact CB-CE1 4.24Å; P260-Y308 HydrophobicContact CB-CE2 3.76Å; P260-Y308 HydrophobicContact CB-CG 4.04Å; P260-Y308 HydrophobicContact CG-CD1 4.5Å
261E98.6Very high97.4Very high0 Ų026.1 Ų26.10%015%0.151CC..Hα-helixtrans-58.6-27.9170.3-17264.7-161.400111.6F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.45Å; F225-E261 HydrophobicContact CD1-CG 4.21Å; F225-E261 HydrophobicContact CD2-CB 3.79Å; F225-E261 HydrophobicContact CD2-CG 3.48Å; F225-E261 VanDerWaalsContact CD2-CG 3.48Å; F225-E261 HydrophobicContact CE1-CG 4.36Å; F225-E261 HydrophobicContact CE2-CB 3.74Å; F225-E261 HydrophobicContact CE2-CG 3.68Å; F225-E261 HydrophobicContact CG-CG 3.78Å; F225-E261 HydrophobicContact CZ-CB 4.46Å; F225-E261 HydrophobicContact CZ-CG 4.12Å; F257-E261 WeakPolarHBondContact O-CB 3.46Å; F257-E261 PolarHBondContact O-N 3.39Å; R258-E261 PolarHBondContact O-N 2.88Å; C259-E261 VanDerWaalsContact C-N 3.27Å; C259-E261 PolarHBondContact O-N 3.19Å; E261-L263 PolarHBondContact O-N 3.45Å; E261-L263 VanDerWaalsContact O-N 3.07Å; E261-F264 CarbonylContact O-C 3.59Å; E261-F264 WeakPolarHBondContact O-CA 3.46Å; E261-F264 PolarHBondContact O-N 2.75Å; E261-Q265 HydrophobicContact CG-CG 4.3Å; E261-Q265 PolarHBondContact O-N 2.83Å; E261-Q265 PolarHBondContact OE1-NE2 2.66Å; E261-F268 HydrophobicContact CB-CE2 4Å; E261-F268 HydrophobicContact CG-CE2 3.82Å; E261-F268 HydrophobicContact CG-CZ 4.22Å; E261-R314 IonicContact OE1-CZ 2.75Å; E261-R314 IonicContact OE1-NH1 3.62Å; E261-R314 IonicContact OE1-NH2 3.62Å; E261-R314 PolarHBondContact OE1-NH2 3.4Å; E261-R314 IonicContact OE2-CZ 3.35Å; E261-R314 IonicContact OE2-NH1 3.63Å; E261-R314 PolarHBondContact OE2-NH1 3.37Å; E261-R314 IonicContact OE2-NH2 3.08Å
262T98.1Very high97.3Very high0 Ų033.9 Ų33.90%019%0.185CC..THydrogen-bonded Turntrans-55.6-27.4175.3-54.90000113L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 HydrophobicContact CD1-CG2 4.23Å; L182-T262 HydrophobicContact CD2-CG2 4.19Å; L182-T262 WeakPolarHBondContact CD2-O 3.48Å; L187-T262 HydrophobicContact CD2-CG2 4.21Å; Y190-T262 WeakPolarHBondContact CD1-OG1 3.14Å; Y190-T262 WeakPolarHBondContact CE1-OG1 3.49Å; C259-T262 WeakPolarHBondContact O-CB 3.42Å; C259-T262 PolarHBondContact O-N 2.89Å; C259-T262 PolarHBondContact O-OG1 3.49Å; C259-T262 VanDerWaalsContact O-OG1 3.09Å; P260-T262 PolarHBondContact O-N 3.42Å; T262-F264 VanDerWaalsContact C-N 3.27Å; T262-F264 PolarHBondContact O-N 2.76Å; T262-Q265 CarbonylContact O-C 3.58Å; T262-Q265 PolarHBondContact O-N 3.14Å; T262-P266 WeakPolarHBondContact O-CA 3.46Å; T262-P266 VanDerWaalsContact O-N 3.15Å; T262-F268 HydrophobicContact CG2-CB 4.37Å; T262-I269 HydrophobicContact CG2-CB 4.33Å; T262-I269 HydrophobicContact CG2-CD1 3.77Å; T262-I269 HydrophobicContact CG2-CG1 3.71Å; T262-I269 HydrophobicContact CG2-CG2 3.77Å
263L98.5Very high97.2Very high1 Ų135.9 Ų35.91%0.00520%0.198CC..THydrogen-bonded Turntrans-64.1-33.1173-66.8172.7000112.4L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.47Å; L187-L263 HydrophobicContact CD1-CD1 4.06Å; L187-L263 HydrophobicContact CD1-CD2 4.03Å; L187-L263 HydrophobicContact CD1-CG 3.94Å; L187-L263 HydrophobicContact CD2-CD2 4.44Å; L187-L263 HydrophobicContact CD2-CG 4.33Å; P260-L263 WeakPolarHBondContact O-CB 3.39Å; P260-L263 PolarHBondContact O-N 3.33Å; P260-L263 VanDerWaalsContact O-N 3.1Å; E261-L263 PolarHBondContact O-N 3.45Å; E261-L263 VanDerWaalsContact O-N 3.07Å; L263-G275 CarbonylContact O-C 3.56Å; L263-G275 VanDerWaalsContact O-CA 3.28Å; L263-G275 WeakPolarHBondContact O-CA 3.36Å; L263-I276 HydrophobicContact CB-CD1 3.9Å; L263-I276 HydrophobicContact CB-CG1 4.14Å; L263-I276 HydrophobicContact CB-CG2 4.2Å; L263-I276 HydrophobicContact CD1-CD1 4.39Å; L263-I276 HydrophobicContact CD2-CG2 4.34Å; L263-I276 PolarHBondContact O-N 3.4Å; L263-T305 HydrophobicContact CD1-CG2 3.9Å; L263-T305 HydrophobicContact CD2-CG2 4.04Å; L263-Y308 HydrophobicContact CD1-CD2 4.26Å; L263-Y308 HydrophobicContact CD1-CE2 4.19Å; L263-I311 HydrophobicContact CD1-CD1 4.44Å
264F98.6Very high97.2Very high5 Ų537.1 Ų37.12%0.02221%0.209CC..THydrogen-bonded Turntrans-90.1-32.5177.4-61-91.7000111.2V221 E261 T262 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CE2 3.64Å; V221-F264 HydrophobicContact CG1-CZ 4.07Å; V221-F264 HydrophobicContact CG2-CE2 4.16Å; E261-F264 CarbonylContact O-C 3.59Å; E261-F264 WeakPolarHBondContact O-CA 3.46Å; E261-F264 PolarHBondContact O-N 2.75Å; T262-F264 VanDerWaalsContact C-N 3.27Å; T262-F264 PolarHBondContact O-N 2.76Å; F264-I276 HydrophobicContact CD1-CG1 4.22Å; F264-I276 HydrophobicContact CE1-CD1 4.08Å; F264-I276 HydrophobicContact CE1-CG1 4.02Å; F264-I276 HydrophobicContact CE2-CD1 4.1Å; F264-I276 HydrophobicContact CZ-CD1 3.78Å; F264-I276 HydrophobicContact CZ-CG1 4.21Å; F264-H277 HydrophobicContact CD1-CB 4.24Å; F264-H277 AromaticContact CD1-CG 3.98Å; F264-H277 AromaticContact CD1-ND1 3.48Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.33Å; F264-H277 HydrophobicContact CE1-CB 4.34Å; F264-H277 PolarHBondContact O-CE1 3.13Å; F264-I311 HydrophobicContact CZ-CG1 4.3Å; F264-R314 HydrophobicContact CD1-CG 4.12Å; F264-R314 HydrophobicContact CE1-CB 4.38Å; F264-R314 HydrophobicContact CE1-CG 3.51Å; F264-R314 HydrophobicContact CE2-CG 4Å; F264-R314 HydrophobicContact CZ-CB 4.01Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; F264-M315 HydrophobicContact CE1-CG 4.3Å; F264-M315 HydrophobicContact CE1-SD 3.8Å; F264-M315 HydrophobicContact CZ-CG 4.28Å; F264-M315 HydrophobicContact CZ-SD 4.25Å; F264-E318 HydrophobicContact CD1-CG 4.21Å; F264-E318 HydrophobicContact CE1-CG 4.24Å
265Q97.9Very high97.3Very high60 Ų6035.4 Ų35.428%0.2820%0.199SC..  trans-125.979.1-179.5-56.9-174.930.800111.2E261 T262 S267 F268E261-Q265 HydrophobicContact CG-CG 4.3Å; E261-Q265 PolarHBondContact O-N 2.83Å; E261-Q265 PolarHBondContact OE1-NE2 2.66Å; T262-Q265 CarbonylContact O-C 3.58Å; T262-Q265 PolarHBondContact O-N 3.14Å; Q265-S267 PolarHBondContact O-N 3.42Å; Q265-F268 HydrophobicContact CB-CD1 4.22Å; Q265-F268 HydrophobicContact CB-CE1 4.19Å; Q265-F268 PolarHBondContact O-N 3Å; Q265-F268 VanDerWaalsContact O-N 3.13Å
266P97.9Very high97.3Very high4 Ų435.2 Ų35.23%0.02620%0.199CC..G310 helixtrans-59.3-17.7179.9-27.337.8000114.3L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 3.92Å; L182-P266 HydrophobicContact CD2-CG 3.89Å; T262-P266 WeakPolarHBondContact O-CA 3.46Å; T262-P266 VanDerWaalsContact O-N 3.15Å; P266-F268 PolarHBondContact O-N 3.42Å; P266-F268 VanDerWaalsContact O-N 3.13Å; P266-I269 WeakPolarHBondContact O-CG1 3.3Å; P266-I269 PolarHBondContact O-N 2.81Å; P266-I269 VanDerWaalsContact O-N 3.13Å; P266-M271 CarbonylContact C-O 3.39Å; P266-M271 HydrophobicContact CB-CB 3.78Å; P266-M271 PolarHBondContact O-N 2.96Å; P266-M271 VanDerWaalsContact O-N 3.15Å; P266-S273 WeakPolarHBondContact CB-OG 3.35Å; P266-S273 WeakPolarHBondContact CG-O 3.47Å
267S97.2Very high97.3Very high77 Ų7734.5 Ų34.554%0.53820%0.197SC..G310 helixtrans-57.7-23.6174.559.40000113.7Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 3.42Å; S267-I269 PolarHBondContact O-N 2.8Å; S267-G270 PolarHBondContact O-N 2.96Å; S267-M271 WeakPolarHBondContact CA-O 3.49Å; S267-M271 PolarHBondContact N-O 2.62Å
268F94.4Very high97.3Very high56 Ų5638.5 Ų38.525%0.24622%0.215CC..G310 helixtrans-61-25.1176.7-7914.4000113.5Y190 F225 E261 T262 Q265 P266Y190-F268 HydrophobicContact CE1-CB 4.44Å; Y190-F268 HydrophobicContact CE1-CD2 4.33Å; Y190-F268 HydrophobicContact CE2-CB 4.41Å; Y190-F268 WeakPolarHBondContact OH-CD2 3.23Å; F225-F268 HydrophobicContact CE1-CE2 4.37Å; F225-F268 AromaticContact CE1-CZ 3.95Å; F225-F268 HydrophobicContact CE1-CZ 3.95Å; F225-F268 HydrophobicContact CE2-CE2 4.46Å; F225-F268 AromaticContact CZ-CE2 3.89Å; F225-F268 HydrophobicContact CZ-CE2 3.89Å; F225-F268 AromaticContact CZ-CZ 3.91Å; F225-F268 HydrophobicContact CZ-CZ 3.91Å; E261-F268 HydrophobicContact CB-CE2 4Å; E261-F268 HydrophobicContact CG-CE2 3.82Å; E261-F268 HydrophobicContact CG-CZ 4.22Å; T262-F268 HydrophobicContact CG2-CB 4.37Å; Q265-F268 HydrophobicContact CB-CD1 4.22Å; Q265-F268 HydrophobicContact CB-CE1 4.19Å; Q265-F268 PolarHBondContact O-N 3Å; Q265-F268 VanDerWaalsContact O-N 3.13Å; P266-F268 PolarHBondContact O-N 3.42Å; P266-F268 VanDerWaalsContact O-N 3.13Å
269I96.1Very high97.3Very high53 Ų5336.5 Ų36.527%0.27221%0.209SC..G310 helixtrans-109.614.1174.857.4171.2000112.3L182 D186 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.55Å; L182-I269 HydrophobicContact CD2-CD1 4.32Å; L182-I269 HydrophobicContact CG-CD1 4.44Å; D186-I269 HydrophobicContact CB-CD1 4.49Å; Y190-I269 HydrophobicContact CD1-CG2 4.43Å; Y190-I269 HydrophobicContact CD2-CG2 3.52Å; Y190-I269 HydrophobicContact CE2-CG2 4.24Å; Y190-I269 HydrophobicContact CG-CG2 3.64Å; T262-I269 HydrophobicContact CG2-CB 4.33Å; T262-I269 HydrophobicContact CG2-CD1 3.77Å; T262-I269 HydrophobicContact CG2-CG1 3.71Å; T262-I269 HydrophobicContact CG2-CG2 3.77Å; P266-I269 WeakPolarHBondContact O-CG1 3.3Å; P266-I269 PolarHBondContact O-N 2.81Å; P266-I269 VanDerWaalsContact O-N 3.13Å; S267-I269 PolarHBondContact O-N 2.8Å; I269-M271 HydrophobicContact CD1-CG 4.04Å; I269-M271 HydrophobicContact CD1-SD 3.43Å; I269-M271 WeakPolarHBondContact CD1-SD 3.49Å; I269-M271 HydrophobicContact CG1-CB 4.44Å; I269-M271 HydrophobicContact CG1-CG 3.97Å; I269-M271 HydrophobicContact CG1-SD 4.03Å
270G95.4Very high97.3Very high66 Ų6636.6 Ų36.668%0.6821%0.209SC*.THydrogen-bonded Turntrans77.318.5178.900000114.5S267S267-G270 PolarHBondContact O-N 2.96Å
271M95.3Very high97.4Very high55 Ų5539.2 Ų39.227%0.27122%0.219SC..  trans-90129.8174.7-67.5178.874.500111L180 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 4.27Å; L182-M271 HydrophobicContact CB-CE 4.17Å; L182-M271 HydrophobicContact CB-SD 4.04Å; P266-M271 CarbonylContact C-O 3.39Å; P266-M271 HydrophobicContact CB-CB 3.78Å; P266-M271 PolarHBondContact O-N 2.96Å; P266-M271 VanDerWaalsContact O-N 3.15Å; S267-M271 WeakPolarHBondContact CA-O 3.49Å; S267-M271 PolarHBondContact N-O 2.62Å; I269-M271 HydrophobicContact CD1-CG 4.04Å; I269-M271 HydrophobicContact CD1-SD 3.43Å; I269-M271 WeakPolarHBondContact CD1-SD 3.49Å; I269-M271 HydrophobicContact CG1-CB 4.44Å; I269-M271 HydrophobicContact CG1-CG 3.97Å; I269-M271 HydrophobicContact CG1-SD 4.03Å; M271-S273 PolarHBondContact O-N 3.49Å
272E94.6Very high97.4Very high207 Ų20742 Ų4297%0.96724%0.235SC*.  trans-88.928.1174.9-60.7-173.3166.300112.6
273S95.1Very high97.4Very high41 Ų4142 Ų4229%0.28724%0.235SC..SBendtrans-95.5152.6177.157.80000111.6L180 P266 M271L180-S273 WeakPolarHBondContact CD1-OG 3.47Å; P266-S273 WeakPolarHBondContact CB-OG 3.35Å; P266-S273 WeakPolarHBondContact CG-O 3.47Å; M271-S273 PolarHBondContact O-N 3.49Å
274A97.6Very high97.4Very high30 Ų3042 Ų4225%0.24823%0.234CC..  trans-63.9148.3169.700000112E278 T279A274-E278 HydrophobicContact CB-CB 3.88Å; A274-E278 VanDerWaalsContact CB-OE2 3.27Å; A274-E278 WeakPolarHBondContact CB-OE2 3.47Å; A274-T279 HydrophobicContact CB-CG2 3.94Å
275G98.2Very high97.3Very high1 Ų144 Ų441%0.0124%0.244CC..  trans-72176.2176.700000114L263 H277 E278 T279L263-G275 CarbonylContact O-C 3.56Å; L263-G275 VanDerWaalsContact O-CA 3.28Å; L263-G275 WeakPolarHBondContact O-CA 3.36Å; G275-H277 VanDerWaalsContact C-N 3.3Å; G275-H277 PolarHBondContact O-N 2.83Å; G275-E278 PolarHBondContact O-N 3.37Å; G275-T279 WeakPolarHBondContact O-CB 3.37Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 3.48Å; G275-T279 PolarHBondContact O-OG1 3.08Å
276I98.5Very high97.4Very high3 Ų346.1 Ų46.12%0.01525%0.253CS..Hα-helixtrans-60.8-36.1-177.158.7169.2000113.5L155 T162 L180 L263 F264 T279 T280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.27Å; L155-I276 HydrophobicContact CD1-CG2 4.41Å; L155-I276 HydrophobicContact CD2-CB 4.13Å; L155-I276 HydrophobicContact CD2-CD1 4.08Å; T162-I276 HydrophobicContact CG2-CG2 4.01Å; L180-I276 HydrophobicContact CD2-CG2 4.2Å; L263-I276 HydrophobicContact CB-CD1 3.9Å; L263-I276 HydrophobicContact CB-CG1 4.14Å; L263-I276 HydrophobicContact CB-CG2 4.2Å; L263-I276 HydrophobicContact CD1-CD1 4.39Å; L263-I276 HydrophobicContact CD2-CG2 4.34Å; L263-I276 PolarHBondContact O-N 3.4Å; F264-I276 HydrophobicContact CD1-CG1 4.22Å; F264-I276 HydrophobicContact CE1-CD1 4.08Å; F264-I276 HydrophobicContact CE1-CG1 4.02Å; F264-I276 HydrophobicContact CE2-CD1 4.1Å; F264-I276 HydrophobicContact CZ-CD1 3.78Å; F264-I276 HydrophobicContact CZ-CG1 4.21Å; I276-T279 VanDerWaalsContact CA-OG1 3.28Å; I276-T279 WeakPolarHBondContact CA-OG1 3.49Å; I276-T279 PolarHBondContact O-OG1 3.35Å; I276-T280 WeakPolarHBondContact O-CB 3.17Å; I276-T280 PolarHBondContact O-N 3.5Å; I276-T280 PolarHBondContact O-OG1 3.28Å; I276-I311 HydrophobicContact CD1-CD1 4.23Å; I276-M315 HydrophobicContact CD1-SD 3.83Å; I276-M315 HydrophobicContact CG1-SD 3.88Å
277H98.6Very high97.4Very high16 Ų1646 Ų467%0.07425%0.252CS..Hα-helixtrans-69.5-47.7179.661.4-66.9000112.1F264 G275 T280 Y281 M315 E318F264-H277 HydrophobicContact CD1-CB 4.24Å; F264-H277 AromaticContact CD1-CG 3.98Å; F264-H277 AromaticContact CD1-ND1 3.48Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.33Å; F264-H277 HydrophobicContact CE1-CB 4.34Å; F264-H277 PolarHBondContact O-CE1 3.13Å; G275-H277 VanDerWaalsContact C-N 3.3Å; G275-H277 PolarHBondContact O-N 2.83Å; H277-T280 PolarHBondContact O-N 3.04Å; H277-Y281 PolarHBondContact O-N 3.09Å; H277-M315 HydrophobicContact CB-SD 3.93Å; H277-E318 HydrophobicContact CB-CB 3.59Å; H277-E318 HydrophobicContact CB-CG 4.09Å; H277-E318 IonicContact CD2-OE2 3.75Å
278E98.4Very high97.4Very high83 Ų8347.8 Ų47.839%0.38826%0.255SS..Hα-helixtrans-64.5-43174.7-76.7178.2-148.700112A274 G275 T280 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.88Å; A274-E278 VanDerWaalsContact CB-OE2 3.27Å; A274-E278 WeakPolarHBondContact CB-OE2 3.47Å; G275-E278 PolarHBondContact O-N 3.37Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 2.92Å; E278-Y281 PolarHBondContact O-N 2.88Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.43Å; E278-N282 PolarHBondContact O-N 3.32Å; E278-N282 PolarHBondContact O-ND2 3.19Å; E278-N282 VanDerWaalsContact O-ND2 3.16Å; E278-L322 HydrophobicContact CG-CD1 4.32Å
279T98.4Very high97.5Very high9 Ų951.1 Ų51.16%0.05527%0.274CS..Hα-helixtrans-65.5-34.9178.151.50000112.2N164 A274 G275 I276 S283N164-T279 WeakPolarHBondContact ND2-CB 3.43Å; N164-T279 PolarHBondContact ND2-OG1 3.2Å; A274-T279 HydrophobicContact CB-CG2 3.94Å; G275-T279 WeakPolarHBondContact O-CB 3.37Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 3.48Å; G275-T279 PolarHBondContact O-OG1 3.08Å; I276-T279 VanDerWaalsContact CA-OG1 3.28Å; I276-T279 WeakPolarHBondContact CA-OG1 3.49Å; I276-T279 PolarHBondContact O-OG1 3.35Å; T279-S283 WeakPolarHBondContact O-CB 3.35Å; T279-S283 PolarHBondContact O-N 3.36Å
280T98.7Very high97.5Very high1 Ų155.6 Ų55.61%0.00630%0.299CS..Hα-helixtrans-61.4-51.8170.3-53.70000110.5I153 N164 I276 H277 E278 N282 S283 I284 N299 M315 I319I153-T280 HydrophobicContact CD1-CG2 3.96Å; I153-T280 HydrophobicContact CG2-CG2 4.44Å; N164-T280 WeakPolarHBondContact OD1-CA 3.41Å; N164-T280 PolarHBondContact OD1-OG1 3.13Å; I276-T280 WeakPolarHBondContact O-CB 3.17Å; I276-T280 PolarHBondContact O-N 3.5Å; I276-T280 PolarHBondContact O-OG1 3.28Å; H277-T280 PolarHBondContact O-N 3.04Å; E278-T280 VanDerWaalsContact C-N 3.32Å; E278-T280 PolarHBondContact O-N 2.92Å; T280-N282 PolarHBondContact O-N 2.67Å; T280-S283 WeakPolarHBondContact O-CB 3.44Å; T280-S283 PolarHBondContact O-N 3.3Å; T280-I284 HydrophobicContact CG2-CD1 4.41Å; T280-I284 WeakPolarHBondContact O-CG1 3.47Å; T280-I284 PolarHBondContact O-N 3.01Å; T280-I284 VanDerWaalsContact O-N 3.12Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.5Å; T280-M315 WeakPolarHBondContact OG1-CE 3.36Å; T280-I319 HydrophobicContact CG2-CD1 3.78Å
281Y98.6Very high97.6Very high55 Ų5553.2 Ų53.222%0.21627%0.27CS..Hα-helixtrans-58.2-47178.3171.6-94.8000112.3H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 3.09Å; E278-Y281 PolarHBondContact O-N 2.88Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 2.95Å; Y281-I284 PolarHBondContact O-N 2.72Å; Y281-M285 HydrophobicContact CD1-CG 4.11Å; Y281-M285 HydrophobicContact CD2-CE 4.45Å; Y281-M285 HydrophobicContact CD2-CG 4.42Å; Y281-M285 HydrophobicContact CE1-CG 3.61Å; Y281-M285 HydrophobicContact CE2-CE 3.66Å; Y281-M285 HydrophobicContact CE2-CG 3.95Å; Y281-M285 HydrophobicContact CE2-SD 4.39Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 WeakPolarHBondContact O-CG 3.4Å; Y281-M285 PolarHBondContact O-N 3.4Å; Y281-Y296 VanDerWaalsContact CD2-OH 3.3Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.47Å; Y281-Y296 VanDerWaalsContact CE2-OH 3.28Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.46Å; Y281-L322 HydrophobicContact CD2-CB 3.71Å; Y281-L322 HydrophobicContact CE2-CB 4.1Å; Y281-L322 VanDerWaalsContact CE2-O 3.27Å; Y281-L322 WeakPolarHBondContact CE2-O 3.43Å; Y281-L322 HydrophobicContact CG-CB 4.03Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å
282N98.6Very high97.7Very high60 Ų6053 Ų5332%0.32127%0.267SS..Hα-helixtrans-62.8-37.4179.8-71.5-26.1000111.9M178 E278 T280 M285 K286M178-N282 HydrophobicContact CE-CB 4.32Å; E278-N282 VanDerWaalsContact O-CB 3.28Å; E278-N282 WeakPolarHBondContact O-CB 3.43Å; E278-N282 PolarHBondContact O-N 3.32Å; E278-N282 PolarHBondContact O-ND2 3.19Å; E278-N282 VanDerWaalsContact O-ND2 3.16Å; T280-N282 PolarHBondContact O-N 2.67Å; N282-M285 PolarHBondContact O-N 3.21Å; N282-K286 WeakPolarHBondContact O-CG 3.42Å; N282-K286 PolarHBondContact O-N 3.46Å
283S98.6Very high97.9Very high0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-62.2-45.5173.7-177.40000111.6P166 A176 T279 T280 Y281 M285 K286 C287P166-S283 WeakPolarHBondContact CD-OG 3.09Å; P166-S283 WeakPolarHBondContact CG-OG 3.1Å; A176-S283 WeakPolarHBondContact O-CB 3.1Å; A176-S283 PolarHBondContact O-OG 3.15Å; T279-S283 WeakPolarHBondContact O-CB 3.35Å; T279-S283 PolarHBondContact O-N 3.36Å; T280-S283 WeakPolarHBondContact O-CB 3.44Å; T280-S283 PolarHBondContact O-N 3.3Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 2.95Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3Å; S283-K286 PolarHBondContact O-N 3.46Å; S283-C287 PolarHBondContact O-SG 2.9Å
284I98.4Very high98Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-63.1-39.3175.1-61.4171.7000111I153 T280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.36Å; I153-I284 HydrophobicContact CD1-CG1 3.69Å; I153-I284 HydrophobicContact CG2-CD1 4.14Å; I153-I284 HydrophobicContact CG2-CG1 4.32Å; T280-I284 HydrophobicContact CG2-CD1 4.41Å; T280-I284 WeakPolarHBondContact O-CG1 3.47Å; T280-I284 PolarHBondContact O-N 3.01Å; T280-I284 VanDerWaalsContact O-N 3.12Å; Y281-I284 PolarHBondContact O-N 2.72Å; I284-K286 VanDerWaalsContact C-N 3.28Å; I284-K286 PolarHBondContact O-N 2.94Å; I284-C287 VanDerWaalsContact O-CB 3.31Å; I284-C287 WeakPolarHBondContact O-CB 3.28Å; I284-C287 PolarHBondContact O-N 2.78Å; I284-C287 VanDerWaalsContact O-N 3.1Å; I284-R292 HydrophobicContact CG2-CB 3.89Å; I284-R292 HydrophobicContact CG2-CG 3.94Å; I284-R292 PolarHBondContact O-NE 3.04Å; I284-L295 HydrophobicContact CD1-CB 4.42Å; I284-L295 HydrophobicContact CG1-CB 4.11Å; I284-L295 HydrophobicContact CG1-CD1 4.46Å; I284-L295 HydrophobicContact CG2-CB 4.26Å; I284-L295 HydrophobicContact CG2-CD1 4.33Å; I284-Y296 HydrophobicContact CB-CE1 4.46Å; I284-Y296 HydrophobicContact CD1-CD1 3.47Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.47Å; I284-Y296 HydrophobicContact CD1-CE1 3.46Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.46Å; I284-Y296 HydrophobicContact CD1-CG 4.21Å; I284-Y296 HydrophobicContact CG2-CD1 4.48Å; I284-Y296 HydrophobicContact CG2-CD2 4.16Å; I284-Y296 HydrophobicContact CG2-CE1 4.11Å; I284-Y296 HydrophobicContact CG2-CE2 3.75Å
285M98Very high98Very high46 Ų4649.7 Ų49.723%0.22724%0.241CC..Hα-helixtrans-70.2-20.9179.2-74-65.8138.500114.1Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.11Å; Y281-M285 HydrophobicContact CD2-CE 4.45Å; Y281-M285 HydrophobicContact CD2-CG 4.42Å; Y281-M285 HydrophobicContact CE1-CG 3.61Å; Y281-M285 HydrophobicContact CE2-CE 3.66Å; Y281-M285 HydrophobicContact CE2-CG 3.95Å; Y281-M285 HydrophobicContact CE2-SD 4.39Å; Y281-M285 HydrophobicContact CG-CG 4.48Å; Y281-M285 WeakPolarHBondContact O-CG 3.4Å; Y281-M285 PolarHBondContact O-N 3.4Å; N282-M285 PolarHBondContact O-N 3.21Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3Å; M285-C287 VanDerWaalsContact C-N 3.31Å; M285-R292 PolarHBondContact O-NH2 3.2Å; M285-R292 PolarHBondContact SD-NH1 3.12Å; M285-Y296 HydrophobicContact CE-CE2 4.21Å; M285-Y296 WeakPolarHBondContact CE-OH 3.35Å
286K98.3Very high98Very high105 Ų10549.6 Ų49.646%0.45724%0.241SC..Hα-helixtrans-77-17.2170.4-75.7179.7174.3-173.30113.4A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.77Å; M178-K286 HydrophobicContact SD-CD 4.05Å; M178-K286 PolarHBondContact SD-NZ 3.38Å; N282-K286 WeakPolarHBondContact O-CG 3.42Å; N282-K286 PolarHBondContact O-N 3.46Å; S283-K286 PolarHBondContact O-N 3.46Å; I284-K286 VanDerWaalsContact C-N 3.28Å; I284-K286 PolarHBondContact O-N 2.94Å
287C98.1Very high98Very high2 Ų250.7 Ų50.71%0.01425%0.25CS..SBendtrans-82.9159.9178.9-62.50000111.8A176 S283 I284 M285 I291 R292 L295A176-C287 WeakPolarHBondContact CB-SG 3.32Å; S283-C287 PolarHBondContact O-SG 2.9Å; I284-C287 VanDerWaalsContact O-CB 3.31Å; I284-C287 WeakPolarHBondContact O-CB 3.28Å; I284-C287 PolarHBondContact O-N 2.78Å; I284-C287 VanDerWaalsContact O-N 3.1Å; M285-C287 VanDerWaalsContact C-N 3.31Å; C287-I291 HydrophobicContact CB-CD1 3.87Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; C287-R292 VanDerWaalsContact O-CZ 3.3Å; C287-R292 PolarHBondContact O-NE 3Å; C287-R292 PolarHBondContact O-NH2 2.85Å; C287-L295 HydrophobicContact CB-CD1 3.76Å; C287-L295 VanDerWaalsContact SG-CD1 3.59Å
288D97.3Very high98Very high114 Ų11451.5 Ų51.561%0.6126%0.255SS*.  trans-59.2143.7175.6-66.6-33.5000111.8D290 I291 R292D288-D290 PolarHBondContact O-N 3.4Å; D288-I291 HydrophobicContact CB-CG1 4.37Å; D288-I291 WeakPolarHBondContact O-CG1 3.31Å; D288-I291 PolarHBondContact O-N 3.12Å; D288-R292 WeakPolarHBondContact O-CG 3.49Å; D288-R292 PolarHBondContact O-N 2.87Å
289I96.4Very high98Very high126 Ų12647.8 Ų47.865%0.64624%0.238SC*.Hα-helixtrans-56.5-39.2-172.8-65.9170.9000111.6I291 R292I289-I291 VanDerWaalsContact C-N 3.26Å; I289-I291 PolarHBondContact O-N 2.94Å; I289-R292 PolarHBondContact O-N 3.2Å
290D96.8Very high98Very high147 Ų14747.4 Ų47.479%0.78624%0.235SC*.Hα-helixtrans-65-28.5-174.2-63.6-27.6000113D288D288-D290 PolarHBondContact O-N 3.4Å
291I97.5Very high98Very high16 Ų1647.4 Ų47.48%0.08224%0.235CC..Hα-helixtrans-94.7-14.6-177.867.3166.3000113.2Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 3.94Å; Y168-I291 HydrophobicContact CD2-CD1 4.36Å; Y168-I291 HydrophobicContact CD2-CG2 3.61Å; Y168-I291 HydrophobicContact CE1-CG2 4.42Å; Y168-I291 HydrophobicContact CE2-CB 4Å; Y168-I291 HydrophobicContact CE2-CG2 3.34Å; Y168-I291 HydrophobicContact CG-CG2 4.28Å; L173-I291 HydrophobicContact CD1-CD1 3.49Å; L173-I291 VanDerWaalsContact CD1-CD1 3.49Å; C287-I291 HydrophobicContact CB-CD1 3.87Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; D288-I291 HydrophobicContact CB-CG1 4.37Å; D288-I291 WeakPolarHBondContact O-CG1 3.31Å; D288-I291 PolarHBondContact O-N 3.12Å; I289-I291 VanDerWaalsContact C-N 3.26Å; I289-I291 PolarHBondContact O-N 2.94Å; I291-K293 PolarHBondContact O-N 2.84Å; I291-D294 PolarHBondContact O-N 3.44Å; I291-L295 HydrophobicContact CD1-CD1 4.28Å; I291-L295 HydrophobicContact CG1-CD1 4.32Å; I291-L295 WeakPolarHBondContact O-CG 3.39Å; I291-L295 PolarHBondContact O-N 3.22Å; I291-L295 VanDerWaalsContact O-N 3.1Å
292R97.9Very high97.9Very high51 Ų5144.8 Ų44.819%0.19223%0.225CC..Hα-helixtrans-59-35.8-175.3-62.2-174.6-171.2179.90113I284 M285 C287 D288 I289 D294 L295 Y296I284-R292 HydrophobicContact CG2-CB 3.89Å; I284-R292 HydrophobicContact CG2-CG 3.94Å; I284-R292 PolarHBondContact O-NE 3.04Å; M285-R292 PolarHBondContact O-NH2 3.2Å; M285-R292 PolarHBondContact SD-NH1 3.12Å; C287-R292 VanDerWaalsContact O-CZ 3.3Å; C287-R292 PolarHBondContact O-NE 3Å; C287-R292 PolarHBondContact O-NH2 2.85Å; D288-R292 WeakPolarHBondContact O-CG 3.49Å; D288-R292 PolarHBondContact O-N 2.87Å; I289-R292 PolarHBondContact O-N 3.2Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 2.99Å; R292-L295 PolarHBondContact O-N 3.4Å; R292-Y296 HydrophobicContact CB-CD2 4.39Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.36Å; R292-Y296 WeakPolarHBondContact O-CD2 3.49Å; R292-Y296 PolarHBondContact O-N 3.39Å
293K97.6Very high97.9Very high141 Ų14142.3 Ų42.361%0.61321%0.214SC*.Hα-helixtrans-59-43.3177.6-178.7-176.9174-172.80111.2I291 A297 M327I291-K293 PolarHBondContact O-N 2.84Å; K293-A297 WeakPolarHBondContact O-CB 3.46Å; K293-A297 PolarHBondContact O-N 2.85Å; K293-A297 VanDerWaalsContact O-N 3.1Å; K293-M327 HydrophobicContact CB-SD 4.22Å; K293-M327 HydrophobicContact CG-SD 4.48Å
294D97.6Very high97.8Very high67 Ų6744.4 Ų44.436%0.35824%0.235SC..Hα-helixtrans-72.5-37.2-179.9-64.7-26.7000111.4T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.81Å; I291-D294 PolarHBondContact O-N 3.44Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 2.99Å; D294-A297 PolarHBondContact O-N 3.26Å; D294-N298 WeakPolarHBondContact O-CB 3.27Å; D294-N298 PolarHBondContact O-N 3.25Å; D294-N298 VanDerWaalsContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.07Å
295L98.1Very high97.8Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-62.3-46.6173.8-60.3179.9000111.4G152 I153 P166 I284 C287 I291 R292 A297 N298 N299G152-L295 VanDerWaalsContact C-CD2 3.46Å; G152-L295 WeakPolarHBondContact O-CD2 3.27Å; I153-L295 HydrophobicContact CB-CD2 4.49Å; P166-L295 HydrophobicContact CB-CD1 4.07Å; P166-L295 HydrophobicContact CB-CD2 4.21Å; I284-L295 HydrophobicContact CD1-CB 4.42Å; I284-L295 HydrophobicContact CG1-CB 4.11Å; I284-L295 HydrophobicContact CG1-CD1 4.46Å; I284-L295 HydrophobicContact CG2-CB 4.26Å; I284-L295 HydrophobicContact CG2-CD1 4.33Å; C287-L295 HydrophobicContact CB-CD1 3.76Å; C287-L295 VanDerWaalsContact SG-CD1 3.59Å; I291-L295 HydrophobicContact CD1-CD1 4.28Å; I291-L295 HydrophobicContact CG1-CD1 4.32Å; I291-L295 WeakPolarHBondContact O-CG 3.39Å; I291-L295 PolarHBondContact O-N 3.22Å; I291-L295 VanDerWaalsContact O-N 3.1Å; R292-L295 PolarHBondContact O-N 3.4Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 3.43Å; L295-N298 CarbonylContact O-C 3.59Å; L295-N298 PolarHBondContact O-N 3.39Å; L295-N298 VanDerWaalsContact O-N 3.14Å; L295-N299 PolarHBondContact O-ND2 3.2Å; L295-N299 VanDerWaalsContact O-ND2 3.08Å
296Y98.3Very high97.8Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-62.2-35.9176.2-80.1-52.5000113.6Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 VanDerWaalsContact CD2-OH 3.3Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.47Å; Y281-Y296 VanDerWaalsContact CE2-OH 3.28Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.46Å; I284-Y296 HydrophobicContact CB-CE1 4.46Å; I284-Y296 HydrophobicContact CD1-CD1 3.47Å; I284-Y296 VanDerWaalsContact CD1-CD1 3.47Å; I284-Y296 HydrophobicContact CD1-CE1 3.46Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.46Å; I284-Y296 HydrophobicContact CD1-CG 4.21Å; I284-Y296 HydrophobicContact CG2-CD1 4.48Å; I284-Y296 HydrophobicContact CG2-CD2 4.16Å; I284-Y296 HydrophobicContact CG2-CE1 4.11Å; I284-Y296 HydrophobicContact CG2-CE2 3.75Å; M285-Y296 HydrophobicContact CE-CE2 4.21Å; M285-Y296 WeakPolarHBondContact CE-OH 3.35Å; R292-Y296 HydrophobicContact CB-CD2 4.39Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.36Å; R292-Y296 WeakPolarHBondContact O-CD2 3.49Å; R292-Y296 PolarHBondContact O-N 3.39Å; Y296-N298 PolarHBondContact O-N 2.92Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.46Å; Y296-N299 PolarHBondContact O-ND2 2.76Å; Y296-I319 HydrophobicContact CD1-CG2 3.99Å; Y296-I319 HydrophobicContact CE1-CG2 3.93Å; Y296-A323 HydrophobicContact CD1-CB 4.34Å; Y296-A323 HydrophobicContact CE1-CB 3.74Å; Y296-A323 HydrophobicContact CE2-CB 4.35Å; Y296-M327 HydrophobicContact CD2-CB 4.02Å; Y296-M327 HydrophobicContact CD2-CG 3.76Å; Y296-M327 HydrophobicContact CD2-SD 4.06Å; Y296-M327 HydrophobicContact CE2-CB 4.5Å; Y296-M327 HydrophobicContact CE2-CG 3.99Å; Y296-M327 HydrophobicContact CG-CB 4.42Å; Y296-K328 CarbonylContact C-O 3.58Å; Y296-I329 HydrophobicContact CD1-CD1 3.37Å; Y296-I329 HydrophobicContact CD2-CD1 4.42Å; Y296-I329 HydrophobicContact CE1-CD1 4.07Å; Y296-I329 HydrophobicContact CG-CD1 3.59Å; Y296-K330 PolarHBondContact O-N 2.78Å
297A97.8Very high97.8Very high26 Ų2640.9 Ų40.922%0.21522%0.221CC..Hα-helixtrans-77.6-9.5178.300000113.5K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.46Å; K293-A297 PolarHBondContact O-N 2.85Å; K293-A297 VanDerWaalsContact O-N 3.1Å; D294-A297 PolarHBondContact O-N 3.26Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 3.43Å; A297-K330 WeakPolarHBondContact O-CB 3.25Å
298N98Very high97.9Very high33 Ų3341.4 Ų41.418%0.17622%0.223CC..  trans-138.763-175.4-61.4-70.7000111.4R149 G152 I153 D294 L295 Y296 I332R149-N298 VanDerWaalsContact CD-OD1 3.3Å; R149-N298 WeakPolarHBondContact CD-OD1 3.21Å; R149-N298 PolarHBondContact NE-OD1 3.12Å; G152-N298 CarbonylContact C-O 3.51Å; G152-N298 VanDerWaalsContact CA-O 3.29Å; G152-N298 WeakPolarHBondContact CA-O 3.42Å; I153-N298 PolarHBondContact N-O 3.24Å; D294-N298 WeakPolarHBondContact O-CB 3.27Å; D294-N298 PolarHBondContact O-N 3.25Å; D294-N298 VanDerWaalsContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.07Å; L295-N298 CarbonylContact O-C 3.59Å; L295-N298 PolarHBondContact O-N 3.39Å; L295-N298 VanDerWaalsContact O-N 3.14Å; Y296-N298 PolarHBondContact O-N 2.92Å; N298-I332 HydrophobicContact CB-CD1 4.48Å
299N98.3Very high97.9Very high5 Ų540 Ų403%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-88.2105.4170.9-71.3-101.2000109.2I153 T280 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.18Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.19Å; I153-N299 CarbonylContact O-C 3.53Å; I153-N299 WeakPolarHBondContact O-CA 3.32Å; T280-N299 WeakPolarHBondContact CG2-OD1 3.5Å; L295-N299 PolarHBondContact O-ND2 3.2Å; L295-N299 VanDerWaalsContact O-ND2 3.08Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.46Å; Y296-N299 PolarHBondContact O-ND2 2.76Å; N299-K330 WeakPolarHBondContact CB-O 3.41Å; N299-K330 PolarHBondContact N-O 3.46Å; N299-K330 VanDerWaalsContact N-O 3.14Å; N299-I331 HydrophobicContact CB-CD1 3.61Å; N299-I331 CarbonylContact O-C 3.54Å; N299-I332 PolarHBondContact O-N 2.87Å
300V98.6Very high98Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-98.9127.3-178-178.20000110.2L144 I153 V154 L155 I332L144-V300 HydrophobicContact CD1-CB 4.37Å; L144-V300 HydrophobicContact CD1-CG2 3.66Å; I153-V300 PolarHBondContact O-N 3.37Å; V154-V300 CarbonylContact C-O 3.5Å; V154-V300 WeakPolarHBondContact CA-O 3.49Å; V154-V300 HydrophobicContact CG2-CB 4.33Å; L155-V300 PolarHBondContact N-O 3.28Å; V300-I332 WeakPolarHBondContact CA-O 3.46Å; V300-I332 HydrophobicContact CG2-CB 4.26Å; V300-I332 HydrophobicContact CG2-CD1 4.04Å
301L98.6Very high98.1Very high1 Ų128.4 Ų28.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-90.3132174-55.6-168.7000110.4L155 T306 I311 A312 I331 I332 A333 R337L155-L301 HydrophobicContact CB-CD2 3.91Å; L155-L301 HydrophobicContact CD2-CD2 3.85Å; L155-L301 HydrophobicContact CG-CD2 4.26Å; L301-T306 HydrophobicContact CB-CG2 4.4Å; L301-I311 HydrophobicContact CD1-CG2 4.03Å; L301-A312 HydrophobicContact CD1-CB 4.3Å; L301-I331 HydrophobicContact CD1-CG2 3.87Å; L301-I331 HydrophobicContact CD2-CG2 4.14Å; L301-I331 HydrophobicContact CG-CG2 3.84Å; L301-I332 PolarHBondContact N-O 3.28Å; L301-A333 HydrophobicContact CB-CB 4.33Å; L301-A333 HydrophobicContact CD1-CB 3.98Å; L301-A333 HydrophobicContact CG-CB 4.33Å; L301-R337 WeakPolarHBondContact O-CB 3.37Å
302S98.2Very high98.2Very high0 Ų028.9 Ų28.90%017%0.173CC..EExtended strand (participates in β ladder)trans-135.4154.2179171.60000110.9S143 L155 D156 S157 T306S143-S302 WeakPolarHBondContact OG-CB 3.12Å; S143-S302 PolarHBondContact OG-OG 3.15Å; L155-S302 PolarHBondContact O-N 3.43Å; D156-S302 WeakPolarHBondContact CA-O 3.1Å; D156-S302 WeakPolarHBondContact OD1-CB 3.4Å; D156-S302 PolarHBondContact OD1-OG 2.88Å; S157-S302 PolarHBondContact N-O 3.25Å; S302-T306 WeakPolarHBondContact O-CG2 3.33Å; S302-T306 PolarHBondContact O-OG1 2.8Å
303G97Very high98.2Very high8 Ų831.7 Ų31.78%0.08219%0.191CC..SBendtrans91.8154.5171.300000113.9D156 S157 T305 T306 R337D156-G303 PolarHBondContact OD1-N 3.26Å; S157-G303 CarbonylContact O-C 3.55Å; S157-G303 WeakPolarHBondContact O-CA 3.41Å; G303-T305 VanDerWaalsContact C-N 3.28Å; G303-T305 PolarHBondContact O-N 3.33Å; G303-T306 PolarHBondContact O-N 3.44Å; G303-T306 VanDerWaalsContact O-N 3.07Å; G303-T306 PolarHBondContact O-OG1 2.79Å; G303-R337 PolarHBondContact N-O 2.88Å
304G97.2Very high98.2Very high44 Ų4425.6 Ų25.645%0.45417%0.165SC..G310 helixtrans-60.8-31.8-170.400000114.4S157 T306 M307S157-G304 PolarHBondContact O-N 3.34Å; G304-T306 PolarHBondContact O-N 2.93Å; G304-M307 WeakPolarHBondContact O-CB 3.48Å; G304-M307 VanDerWaalsContact O-CG 3.22Å; G304-M307 WeakPolarHBondContact O-CG 3.4Å; G304-M307 PolarHBondContact O-N 3.49Å; G304-M307 VanDerWaalsContact O-N 3.11Å
305T98.5Very high98.3Very high8 Ų822.5 Ų22.55%0.04915%0.148CC..G310 helixtrans-75.3-15.5-179.5-62.80000112.2S157 G158 G184 L187 L263 G303 M307 Y308S157-T305 WeakPolarHBondContact O-CB 3.46Å; S157-T305 PolarHBondContact O-N 3.05Å; S157-T305 WeakPolarHBondContact OG-CB 3.19Å; S157-T305 WeakPolarHBondContact OG-CG2 3.46Å; G158-T305 WeakPolarHBondContact O-CB 3.29Å; G158-T305 PolarHBondContact O-OG1 2.93Å; G184-T305 WeakPolarHBondContact CA-OG1 3.49Å; G184-T305 PolarHBondContact N-OG1 2.72Å; G184-T305 VanDerWaalsContact N-OG1 3.13Å; L187-T305 HydrophobicContact CD1-CG2 3.63Å; L263-T305 HydrophobicContact CD1-CG2 3.9Å; L263-T305 HydrophobicContact CD2-CG2 4.04Å; G303-T305 VanDerWaalsContact C-N 3.28Å; G303-T305 PolarHBondContact O-N 3.33Å; T305-M307 PolarHBondContact O-N 2.98Å; T305-Y308 HydrophobicContact CG2-CE2 4.07Å; T305-Y308 WeakPolarHBondContact O-CD2 3.43Å; T305-Y308 WeakPolarHBondContact O-CE2 3.34Å
306T98.6Very high98.3Very high1 Ų125.3 Ų25.31%0.00616%0.161CC..G310 helixtrans-83.66.7169.873.90000113.3L301 S302 G303 G304 Y308 I311 R337L301-T306 HydrophobicContact CB-CG2 4.4Å; S302-T306 WeakPolarHBondContact O-CG2 3.33Å; S302-T306 PolarHBondContact O-OG1 2.8Å; G303-T306 PolarHBondContact O-N 3.44Å; G303-T306 VanDerWaalsContact O-N 3.07Å; G303-T306 PolarHBondContact O-OG1 2.79Å; G304-T306 PolarHBondContact O-N 2.93Å; T306-Y308 VanDerWaalsContact C-N 3.31Å; T306-Y308 PolarHBondContact O-N 3.48Å; T306-I311 VanDerWaalsContact O-CG2 3.32Å; T306-I311 WeakPolarHBondContact O-CG2 3.24Å; T306-R337 PolarHBondContact O-NE 2.81Å; T306-R337 PolarHBondContact O-NH2 2.8Å; T306-R337 WeakPolarHBondContact OG1-CD 3.5Å
307M98.4Very high98.3Very high68 Ų6829.7 Ų29.734%0.33518%0.18SC..G310 helixtrans-80-9.3-179.9-66.4-63.4-64.800114G304 T305 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.48Å; G304-M307 VanDerWaalsContact O-CG 3.22Å; G304-M307 WeakPolarHBondContact O-CG 3.4Å; G304-M307 PolarHBondContact O-N 3.49Å; G304-M307 VanDerWaalsContact O-N 3.11Å; T305-M307 PolarHBondContact O-N 2.98Å; M307-R337 HydrophobicContact SD-CG 3.42Å; M307-R337 WeakPolarHBondContact SD-CG 3.38Å; M307-K338 HydrophobicContact CG-CB 4.23Å; M307-K338 HydrophobicContact SD-CB 4.17Å
308Y98.6Very high98.4Very high14 Ų1430.3 Ų30.36%0.05518%0.178CC..SBendtrans-56.1130.3179.4-67.8-62.6000111.9L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.69Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.3Å; K215-Y308 WeakPolarHBondContact CD-OH 3.3Å; K215-Y308 HydrophobicContact CG-CE1 4.15Å; K215-Y308 WeakPolarHBondContact CG-OH 3.28Å; C219-Y308 HydrophobicContact CB-CD1 3.93Å; C219-Y308 HydrophobicContact CB-CE1 3.56Å; V221-Y308 HydrophobicContact CG2-CD2 4.45Å; V221-Y308 HydrophobicContact CG2-CG 4.33Å; P260-Y308 HydrophobicContact CB-CD1 4.26Å; P260-Y308 HydrophobicContact CB-CD2 3.79Å; P260-Y308 HydrophobicContact CB-CE1 4.24Å; P260-Y308 HydrophobicContact CB-CE2 3.76Å; P260-Y308 HydrophobicContact CB-CG 4.04Å; P260-Y308 HydrophobicContact CG-CD1 4.5Å; L263-Y308 HydrophobicContact CD1-CD2 4.26Å; L263-Y308 HydrophobicContact CD1-CE2 4.19Å; T305-Y308 HydrophobicContact CG2-CE2 4.07Å; T305-Y308 WeakPolarHBondContact O-CD2 3.43Å; T305-Y308 WeakPolarHBondContact O-CE2 3.34Å; T306-Y308 VanDerWaalsContact C-N 3.31Å; T306-Y308 PolarHBondContact O-N 3.48Å; Y308-G310 PolarHBondContact O-N 2.6Å; Y308-I311 WeakPolarHBondContact O-CB 3.44Å; Y308-I311 WeakPolarHBondContact O-CG2 3.48Å; Y308-I311 PolarHBondContact O-N 2.84Å
309P98.6Very high98.4Very high85 Ų8528.7 Ų28.755%0.55217%0.17SC*.THydrogen-bonded Turntrans-54.9139.5169.1-24.734.5000110.9V221 I311V221-P309 PolarHBondContact N-O 3.28Å; P309-I311 VanDerWaalsContact C-N 3.31Å; P309-I311 PolarHBondContact O-N 2.87Å
310G98.4Very high98.4Very high27 Ų2732 Ų3228%0.27819%0.19SC..THydrogen-bonded Turntrans82.7-9.1179.300000116Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 2.6Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.96Å; G310-D313 PolarHBondContact O-N 3.11Å; G310-R314 PolarHBondContact O-N 2.8Å
311I98.7Very high98.3Very high2 Ų235.9 Ų35.91%0.0122%0.223CC..Hα-helixtrans-62.8-38.4-177.4-164.8175.7000113V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315V221-I311 HydrophobicContact CB-CB 4.35Å; V221-I311 HydrophobicContact CG2-CB 4.03Å; V221-I311 HydrophobicContact CG2-CG1 4.22Å; L263-I311 HydrophobicContact CD1-CD1 4.44Å; F264-I311 HydrophobicContact CZ-CG1 4.3Å; I276-I311 HydrophobicContact CD1-CD1 4.23Å; L301-I311 HydrophobicContact CD1-CG2 4.03Å; T306-I311 VanDerWaalsContact O-CG2 3.32Å; T306-I311 WeakPolarHBondContact O-CG2 3.24Å; Y308-I311 WeakPolarHBondContact O-CB 3.44Å; Y308-I311 WeakPolarHBondContact O-CG2 3.48Å; Y308-I311 PolarHBondContact O-N 2.84Å; P309-I311 VanDerWaalsContact C-N 3.31Å; P309-I311 PolarHBondContact O-N 2.87Å; I311-R314 PolarHBondContact O-N 2.82Å; I311-M315 HydrophobicContact CG1-CG 4.37Å; I311-M315 VanDerWaalsContact O-CB 3.31Å; I311-M315 WeakPolarHBondContact O-CB 3.33Å; I311-M315 VanDerWaalsContact O-CG 3.28Å; I311-M315 WeakPolarHBondContact O-CG 3.46Å; I311-M315 PolarHBondContact O-N 3.06Å
312A98.6Very high98.3Very high26 Ų2639 Ų3922%0.21524%0.239CC..Hα-helixtrans-66-42.5179.800000111.4L301 G310 M315 Q316 I331 A333L301-A312 HydrophobicContact CD1-CB 4.3Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.96Å; A312-M315 PolarHBondContact O-N 3.11Å; A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.38Å; A312-Q316 PolarHBondContact O-N 2.88Å; A312-I331 HydrophobicContact CB-CG2 4.13Å; A312-A333 HydrophobicContact CB-CB 3.96Å
313D98.6Very high98.2Very high110 Ų11039.6 Ų39.659%0.58824%0.243SC*.Hα-helixtrans-67.7-41.5178.3-59.5-41.7000111.4L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.21Å; G310-D313 PolarHBondContact O-N 3.11Å; D313-Q316 WeakPolarHBondContact O-CB 3.5Å; D313-Q316 PolarHBondContact O-N 3.16Å; D313-K317 PolarHBondContact O-N 3.4Å
314R98.7Very high98.1Very high13 Ų1342.1 Ų42.15%0.04926%0.258CS..Hα-helixtrans-62.7-48.8174.3-177.862.9177.4-75.8-8111.2V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.52Å; V221-R314 HydrophobicContact CG1-CG 3.71Å; A222-R314 WeakPolarHBondContact O-CD 3.2Å; A222-R314 PolarHBondContact O-NH1 2.82Å; L223-R314 WeakPolarHBondContact O-CD 3.36Å; E261-R314 IonicContact OE1-CZ 2.75Å; E261-R314 IonicContact OE1-NH1 3.62Å; E261-R314 IonicContact OE1-NH2 3.62Å; E261-R314 PolarHBondContact OE1-NH2 3.4Å; E261-R314 IonicContact OE2-CZ 3.35Å; E261-R314 IonicContact OE2-NH1 3.63Å; E261-R314 PolarHBondContact OE2-NH1 3.37Å; E261-R314 IonicContact OE2-NH2 3.08Å; F264-R314 HydrophobicContact CD1-CG 4.12Å; F264-R314 HydrophobicContact CE1-CB 4.38Å; F264-R314 HydrophobicContact CE1-CG 3.51Å; F264-R314 HydrophobicContact CE2-CG 4Å; F264-R314 HydrophobicContact CZ-CB 4.01Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; G310-R314 PolarHBondContact O-N 2.8Å; I311-R314 PolarHBondContact O-N 2.82Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.87Å; R314-K317 PolarHBondContact O-N 2.95Å; R314-E318 HydrophobicContact CG-CG 4.3Å; R314-E318 IonicContact CZ-OE1 2.85Å; R314-E318 IonicContact NE-OE1 2.69Å; R314-E318 PolarHBondContact NE-OE1 2.94Å; R314-E318 IonicContact NH2-OE1 2.88Å; R314-E318 PolarHBondContact NH2-OE1 3.5Å; R314-E318 VanDerWaalsContact NH2-OE1 3.08Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.4Å; R314-E318 PolarHBondContact O-N 3.09Å
315M98.5Very high97.9Very high2 Ų246 Ų461%0.0128%0.279CS..Hα-helixtrans-58.6-39.5175.2-77.7-65.5-67.600112.4L155 F264 I276 H277 T280 I311 A312 E318 I319 I331L155-M315 HydrophobicContact CD2-CE 3.65Å; L155-M315 HydrophobicContact CD2-SD 4.23Å; F264-M315 HydrophobicContact CE1-CG 4.3Å; F264-M315 HydrophobicContact CE1-SD 3.8Å; F264-M315 HydrophobicContact CZ-CG 4.28Å; F264-M315 HydrophobicContact CZ-SD 4.25Å; I276-M315 HydrophobicContact CD1-SD 3.83Å; I276-M315 HydrophobicContact CG1-SD 3.88Å; H277-M315 HydrophobicContact CB-SD 3.93Å; T280-M315 WeakPolarHBondContact OG1-CE 3.36Å; I311-M315 HydrophobicContact CG1-CG 4.37Å; I311-M315 VanDerWaalsContact O-CB 3.31Å; I311-M315 WeakPolarHBondContact O-CB 3.33Å; I311-M315 VanDerWaalsContact O-CG 3.28Å; I311-M315 WeakPolarHBondContact O-CG 3.46Å; I311-M315 PolarHBondContact O-N 3.06Å; A312-M315 PolarHBondContact O-N 3.11Å; M315-E318 PolarHBondContact O-N 2.93Å; M315-I319 HydrophobicContact CE-CD1 3.57Å; M315-I319 HydrophobicContact CE-CG1 4.32Å; M315-I319 WeakPolarHBondContact O-CB 3.42Å; M315-I319 WeakPolarHBondContact O-CG1 3.44Å; M315-I319 PolarHBondContact O-N 3.49Å; M315-I331 HydrophobicContact CB-CD1 4.33Å; M315-I331 HydrophobicContact CB-CG1 4.13Å; M315-I331 HydrophobicContact CB-CG2 4.38Å
316Q98.6Very high97.7Very high59 Ų5951.5 Ų51.528%0.27631%0.313SS..Hα-helixtrans-62.1-46176.6-177.870.958.600110.8A312 D313 R314 T320 I329 I331A312-Q316 VanDerWaalsContact O-CB 3.28Å; A312-Q316 WeakPolarHBondContact O-CB 3.38Å; A312-Q316 PolarHBondContact O-N 2.88Å; D313-Q316 WeakPolarHBondContact O-CB 3.5Å; D313-Q316 PolarHBondContact O-N 3.16Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.87Å; Q316-T320 PolarHBondContact NE2-OG1 2.82Å; Q316-T320 VanDerWaalsContact O-CB 3.23Å; Q316-T320 WeakPolarHBondContact O-CB 3.44Å; Q316-T320 PolarHBondContact O-N 3.36Å; Q316-T320 VanDerWaalsContact O-N 3.12Å; Q316-T320 PolarHBondContact O-OG1 3.25Å; Q316-I329 PolarHBondContact NE2-O 2.94Å; Q316-I331 HydrophobicContact CB-CG1 3.78Å; Q316-I331 VanDerWaalsContact OE1-N 3.12Å
317K98.4Very high97.6Very high91 Ų9154 Ų5440%0.39633%0.325SS..Hα-helixtrans-61.2-51.3175.8178.6-177.7170-173.80111.5L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.03Å; L223-K317 HydrophobicContact CD1-CD 3.81Å; L223-K317 HydrophobicContact CG-CD 4.09Å; L223-K317 PolarHBondContact O-NZ 3.08Å; D224-K317 IonicContact OD2-NZ 3.49Å; D224-K317 PolarHBondContact OD2-NZ 3.3Å; D313-K317 PolarHBondContact O-N 3.4Å; R314-K317 PolarHBondContact O-N 2.95Å; K317-T320 PolarHBondContact O-N 2.92Å; K317-A321 PolarHBondContact O-N 2.86Å; K317-A321 VanDerWaalsContact O-N 3.08Å
318E98.5Very high97.5Very high39 Ų3958.6 Ų58.618%0.18234%0.343CS..Hα-helixtrans-63.6-49-176-65.9-67.3178.500112.1F264 H277 R314 M315 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.21Å; F264-E318 HydrophobicContact CE1-CG 4.24Å; H277-E318 HydrophobicContact CB-CB 3.59Å; H277-E318 HydrophobicContact CB-CG 4.09Å; H277-E318 IonicContact CD2-OE2 3.75Å; R314-E318 HydrophobicContact CG-CG 4.3Å; R314-E318 IonicContact CZ-OE1 2.85Å; R314-E318 IonicContact NE-OE1 2.69Å; R314-E318 PolarHBondContact NE-OE1 2.94Å; R314-E318 IonicContact NH2-OE1 2.88Å; R314-E318 PolarHBondContact NH2-OE1 3.5Å; R314-E318 VanDerWaalsContact NH2-OE1 3.08Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.4Å; R314-E318 PolarHBondContact O-N 3.09Å; M315-E318 PolarHBondContact O-N 2.93Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.79Å; E318-A321 PolarHBondContact O-N 3.41Å; E318-A321 VanDerWaalsContact O-N 3.16Å; E318-L322 WeakPolarHBondContact O-CG 3.37Å; E318-L322 PolarHBondContact O-N 3.21Å; E318-L322 VanDerWaalsContact O-N 3.11Å
319I98.1Very high97.4Very high0 Ų058.7 Ų58.70%034%0.344CS..Hα-helixtrans-66.9-35.4-179.8-66.4173.8000111T280 Y296 M315 A321 L322 A323 I329 I331T280-I319 HydrophobicContact CG2-CD1 3.78Å; Y296-I319 HydrophobicContact CD1-CG2 3.99Å; Y296-I319 HydrophobicContact CE1-CG2 3.93Å; M315-I319 HydrophobicContact CE-CD1 3.57Å; M315-I319 HydrophobicContact CE-CG1 4.32Å; M315-I319 WeakPolarHBondContact O-CB 3.42Å; M315-I319 WeakPolarHBondContact O-CG1 3.44Å; M315-I319 PolarHBondContact O-N 3.49Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.33Å; I319-L322 PolarHBondContact O-N 3.25Å; I319-A323 WeakPolarHBondContact O-CB 3.39Å; I319-A323 PolarHBondContact O-N 2.71Å; I319-I329 HydrophobicContact CB-CG2 3.96Å; I319-I329 HydrophobicContact CG2-CD1 4.02Å; I319-I329 HydrophobicContact CG2-CG1 4.14Å; I319-I329 HydrophobicContact CG2-CG2 3.57Å; I319-I331 HydrophobicContact CD1-CD1 3.82Å
320T98.2Very high97.4Very high74 Ų7459.1 Ų59.145%0.45434%0.337SS..Hα-helixtrans-64.3-34.3175.4-57.30000111.9Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 2.82Å; Q316-T320 VanDerWaalsContact O-CB 3.23Å; Q316-T320 WeakPolarHBondContact O-CB 3.44Å; Q316-T320 PolarHBondContact O-N 3.36Å; Q316-T320 VanDerWaalsContact O-N 3.12Å; Q316-T320 PolarHBondContact O-OG1 3.25Å; K317-T320 PolarHBondContact O-N 2.92Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 2.79Å
321A97.8Very high97.4Very high82 Ų8258.9 Ų58.968%0.67833%0.329SS*.Hα-helixtrans-72.2-33.1176.400000112.9K317 E318 I319K317-A321 PolarHBondContact O-N 2.86Å; K317-A321 VanDerWaalsContact O-N 3.08Å; E318-A321 PolarHBondContact O-N 3.41Å; E318-A321 VanDerWaalsContact O-N 3.16Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.33Å
322L97.5Very high97.4Very high67 Ų6759.8 Ų59.835%0.35133%0.334SS..Hα-helixtrans-83.6-35179.8-66.7174.7000113.5E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.32Å; Y281-L322 HydrophobicContact CD2-CB 3.71Å; Y281-L322 HydrophobicContact CE2-CB 4.1Å; Y281-L322 VanDerWaalsContact CE2-O 3.27Å; Y281-L322 WeakPolarHBondContact CE2-O 3.43Å; Y281-L322 HydrophobicContact CG-CB 4.03Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å; E318-L322 WeakPolarHBondContact O-CG 3.37Å; E318-L322 PolarHBondContact O-N 3.21Å; E318-L322 VanDerWaalsContact O-N 3.11Å; I319-L322 PolarHBondContact O-N 3.25Å
323A96.3Very high97.4Very high11 Ų1160.2 Ų60.29%0.09134%0.337CS..SBendtrans-78155.2-174.400000112.9Y296 I319 S325 I329Y296-A323 HydrophobicContact CD1-CB 4.34Å; Y296-A323 HydrophobicContact CE1-CB 3.74Å; Y296-A323 HydrophobicContact CE2-CB 4.35Å; I319-A323 WeakPolarHBondContact O-CB 3.39Å; I319-A323 PolarHBondContact O-N 2.71Å; A323-S325 PolarHBondContact O-N 2.54Å; A323-I329 HydrophobicContact CB-CD1 3.66Å; A323-I329 HydrophobicContact CB-CG1 4.27Å
324P94.9Very high97.3Very high61 Ų6155.7 Ų55.740%0.39631%0.314SS..  trans-56.7137.8171.2-22.833000111.5T326 M327P324-T326 PolarHBondContact O-N 2.61Å; P324-M327 HydrophobicContact CB-CG 4.24Å; P324-M327 HydrophobicContact CG-CG 4.37Å; P324-M327 WeakPolarHBondContact O-CB 3.25Å; P324-M327 PolarHBondContact O-N 3.02Å
325S93.6Very high97.2Very high127 Ų12759.9 Ų59.989%0.88834%0.343SS*.THydrogen-bonded Turntrans-60.7-16.7-175.157.40000115A323 M327A323-S325 PolarHBondContact O-N 2.54Å; S325-M327 VanDerWaalsContact C-N 3.32Å
326T94.3Very high97Very high123 Ų12364.2 Ų64.276%0.75536%0.363SS*.THydrogen-bonded Turntrans-78.6-14.4174.556.70000113.5P324P324-T326 PolarHBondContact O-N 2.61Å
327M95.3Very high96.9Very high53 Ų5362.7 Ų62.726%0.26136%0.355SS..SBendtrans-83.8135.6-178.5-64.8-61.7-177.600110.8K293 Y296 P324 S325 I329K293-M327 HydrophobicContact CB-SD 4.22Å; K293-M327 HydrophobicContact CG-SD 4.48Å; Y296-M327 HydrophobicContact CD2-CB 4.02Å; Y296-M327 HydrophobicContact CD2-CG 3.76Å; Y296-M327 HydrophobicContact CD2-SD 4.06Å; Y296-M327 HydrophobicContact CE2-CB 4.5Å; Y296-M327 HydrophobicContact CE2-CG 3.99Å; Y296-M327 HydrophobicContact CG-CB 4.42Å; P324-M327 HydrophobicContact CB-CG 4.24Å; P324-M327 HydrophobicContact CG-CG 4.37Å; P324-M327 WeakPolarHBondContact O-CB 3.25Å; P324-M327 PolarHBondContact O-N 3.02Å; S325-M327 VanDerWaalsContact C-N 3.32Å; M327-I329 HydrophobicContact CB-CD1 3.99Å
328K96.4Very high96.8Very high164 Ų16462.8 Ų62.871%0.71336%0.356SS*.  trans-89109.8170.9-176.3179.1-179.9178.30109Y296Y296-K328 CarbonylContact C-O 3.58Å
329I98.1Very high96.8Very high17 Ų1763.5 Ų63.59%0.08736%0.357CS..  trans-87.1132.7178-49.8-47.5000109.5Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.37Å; Y296-I329 HydrophobicContact CD2-CD1 4.42Å; Y296-I329 HydrophobicContact CE1-CD1 4.07Å; Y296-I329 HydrophobicContact CG-CD1 3.59Å; Q316-I329 PolarHBondContact NE2-O 2.94Å; I319-I329 HydrophobicContact CB-CG2 3.96Å; I319-I329 HydrophobicContact CG2-CD1 4.02Å; I319-I329 HydrophobicContact CG2-CG1 4.14Å; I319-I329 HydrophobicContact CG2-CG2 3.57Å; A323-I329 HydrophobicContact CB-CD1 3.66Å; A323-I329 HydrophobicContact CB-CG1 4.27Å; M327-I329 HydrophobicContact CB-CD1 3.99Å; I329-I331 HydrophobicContact CG2-CD1 4.18Å
330K98.3Very high96.8Very high93 Ų9363.6 Ų63.640%0.40436%0.358SS..  trans-139.7116.7173.5-179.4-174.4179.7-173.80110.5Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 2.78Å; A297-K330 WeakPolarHBondContact O-CB 3.25Å; N299-K330 WeakPolarHBondContact CB-O 3.41Å; N299-K330 PolarHBondContact N-O 3.46Å; N299-K330 VanDerWaalsContact N-O 3.14Å; K330-I332 HydrophobicContact CD-CG1 4.29Å; K330-I332 HydrophobicContact CG-CG1 4.18Å
331I98.5Very high96.8Very high22 Ų2260.6 Ų60.611%0.11334%0.339CS..EExtended strand (participates in β ladder)trans-91132.6170.3-47.6-50.8000109.6N299 L301 A312 M315 Q316 I319 I329N299-I331 HydrophobicContact CB-CD1 3.61Å; N299-I331 CarbonylContact O-C 3.54Å; L301-I331 HydrophobicContact CD1-CG2 3.87Å; L301-I331 HydrophobicContact CD2-CG2 4.14Å; L301-I331 HydrophobicContact CG-CG2 3.84Å; A312-I331 HydrophobicContact CB-CG2 4.13Å; M315-I331 HydrophobicContact CB-CD1 4.33Å; M315-I331 HydrophobicContact CB-CG1 4.13Å; M315-I331 HydrophobicContact CB-CG2 4.38Å; Q316-I331 HydrophobicContact CB-CG1 3.78Å; Q316-I331 VanDerWaalsContact OE1-N 3.12Å; I319-I331 HydrophobicContact CD1-CD1 3.82Å; I329-I331 HydrophobicContact CG2-CD1 4.18Å
332I98.4Very high96.8Very high22 Ų2256.7 Ų56.711%0.11331%0.307CS..EExtended strand (participates in β ladder)trans-120113.2-177.9-59.1156000106.9N298 N299 V300 L301 K330 P334N298-I332 HydrophobicContact CB-CD1 4.48Å; N299-I332 PolarHBondContact O-N 2.87Å; V300-I332 WeakPolarHBondContact CA-O 3.46Å; V300-I332 HydrophobicContact CG2-CB 4.26Å; V300-I332 HydrophobicContact CG2-CD1 4.04Å; L301-I332 PolarHBondContact N-O 3.28Å; K330-I332 HydrophobicContact CD-CG1 4.29Å; K330-I332 HydrophobicContact CG-CG1 4.18Å; I332-P334 HydrophobicContact CG2-CG 4.37Å; I332-P334 WeakPolarHBondContact O-CD 3.31Å
333A98Very high96.8Very high34 Ų3454.7 Ų54.728%0.28130%0.296SS..  trans-122.585.6-179.800000109.7L301 A312L301-A333 HydrophobicContact CB-CB 4.33Å; L301-A333 HydrophobicContact CD1-CB 3.98Å; L301-A333 HydrophobicContact CG-CB 4.33Å; A312-A333 HydrophobicContact CB-CB 3.96Å
334P96.9Very high96.9Very high16 Ų1654.1 Ų54.110%0.10429%0.292CS..  trans-55.9141.8177.3-23.334.2000111.1I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.37Å; I332-P334 WeakPolarHBondContact O-CD 3.31Å; P334-E336 VanDerWaalsContact C-N 3.25Å; P334-E336 PolarHBondContact O-N 2.95Å; P334-R337 HydrophobicContact CB-CB 4.34Å; P334-R337 WeakPolarHBondContact O-CB 3.09Å; P334-R337 VanDerWaalsContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CD 3.45Å; P334-R337 WeakPolarHBondContact O-CG 3.39Å; P334-R337 PolarHBondContact O-N 2.88Å; P334-R337 PolarHBondContact O-NH1 2.99Å
335P96.4Very high97Very high101 Ų10151.2 Ų51.266%0.65627%0.273SS*.THydrogen-bonded Turntrans-57.8-38.4178.3-25.234.1000113.2R337P335-R337 VanDerWaalsContact C-N 3.26Å; P335-R337 PolarHBondContact O-N 2.78Å
336E94.8Very high97.2Very high92 Ų9245.4 Ų45.443%0.4323%0.232SC..THydrogen-bonded Turntrans-84.913.6-18061.1-74164.100113.8P334 K338 Y339 S340 I343P334-E336 VanDerWaalsContact C-N 3.25Å; P334-E336 PolarHBondContact O-N 2.95Å; E336-K338 PolarHBondContact O-N 3.06Å; E336-Y339 PolarHBondContact O-N 3.18Å; E336-S340 PolarHBondContact O-N 3.15Å; E336-I343 HydrophobicContact CB-CD1 4.06Å; E336-I343 HydrophobicContact CG-CD1 3.64Å
337R96.9Very high97.3Very high28 Ų2843.1 Ų43.111%0.10621%0.214CC..THydrogen-bonded Turntrans-59.2-16.4-173.766.9-170.7173.3-79.21.5116.8L301 G303 T306 M307 P334 P335 Y339 S340L301-R337 WeakPolarHBondContact O-CB 3.37Å; G303-R337 PolarHBondContact N-O 2.88Å; T306-R337 PolarHBondContact O-NE 2.81Å; T306-R337 PolarHBondContact O-NH2 2.8Å; T306-R337 WeakPolarHBondContact OG1-CD 3.5Å; M307-R337 HydrophobicContact SD-CG 3.42Å; M307-R337 WeakPolarHBondContact SD-CG 3.38Å; P334-R337 HydrophobicContact CB-CB 4.34Å; P334-R337 WeakPolarHBondContact O-CB 3.09Å; P334-R337 VanDerWaalsContact O-CD 3.28Å; P334-R337 WeakPolarHBondContact O-CD 3.45Å; P334-R337 WeakPolarHBondContact O-CG 3.39Å; P334-R337 PolarHBondContact O-N 2.88Å; P334-R337 PolarHBondContact O-NH1 2.99Å; P335-R337 VanDerWaalsContact C-N 3.26Å; P335-R337 PolarHBondContact O-N 2.78Å; R337-Y339 PolarHBondContact O-N 3.4Å; R337-S340 WeakPolarHBondContact CA-OG 3.32Å; R337-S340 PolarHBondContact O-N 3.07Å
338K96Very high97.2Very high93 Ų9341.8 Ų41.840%0.40421%0.208SC..THydrogen-bonded Turntrans-62.4-20.8167.559.8167.3174.4163.10113.5M307 E336M307-K338 HydrophobicContact CG-CB 4.23Å; M307-K338 HydrophobicContact SD-CB 4.17Å; E336-K338 PolarHBondContact O-N 3.06Å
339Y97.6Very high97.1Very high53 Ų5334.2 Ų34.221%0.20818%0.176CC..SBendtrans-1225.7-179.1-53.8-40.6000113.2K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CG-CD1 4.19Å; K20-Y339 HydrophobicContact CG-CE1 4.38Å; P29-Y339 HydrophobicContact CG-CD1 4.04Å; P29-Y339 HydrophobicContact CG-CD2 4.4Å; P29-Y339 HydrophobicContact CG-CE1 4.29Å; P29-Y339 HydrophobicContact CG-CG 4.12Å; V32-Y339 HydrophobicContact CG2-CE1 4.07Å; E336-Y339 PolarHBondContact O-N 3.18Å; R337-Y339 PolarHBondContact O-N 3.4Å; Y339-V341 PolarHBondContact O-N 2.89Å; Y339-V341 VanDerWaalsContact O-N 3.15Å; Y339-W342 PolarHBondContact O-N 3.45Å; Y339-I343 WeakPolarHBondContact O-CG1 3.23Å; Y339-I343 PolarHBondContact O-N 3.28Å
340S97.8Very high96.9Very high3 Ų336.6 Ų36.62%0.02119%0.194CC..Hα-helixtrans-52.7-40.3-176.8-80.20000113.6A146 E336 R337 W342 I343 G344A146-S340 VanDerWaalsContact CB-O 3.3Å; A146-S340 WeakPolarHBondContact CB-O 3.35Å; E336-S340 PolarHBondContact O-N 3.15Å; R337-S340 WeakPolarHBondContact CA-OG 3.32Å; R337-S340 PolarHBondContact O-N 3.07Å; S340-W342 PolarHBondContact O-N 3.35Å; S340-I343 PolarHBondContact O-N 2.77Å; S340-G344 PolarHBondContact O-N 2.81Å
341V98Very high96.5Very high10 Ų1035.8 Ų35.86%0.06119%0.194CC..Hα-helixtrans-57.1-51.5175.6176.10000110.8D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.32Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.25Å; T108-V341 HydrophobicContact CG2-CG1 3.85Å; Q139-V341 HydrophobicContact CB-CG1 3.95Å; Q139-V341 HydrophobicContact CB-CG2 4Å; Q139-V341 HydrophobicContact CG-CG1 3.87Å; L142-V341 WeakPolarHBondContact CB-O 3.39Å; L142-V341 HydrophobicContact CD1-CG1 4.19Å; L142-V341 WeakPolarHBondContact CD1-O 3.23Å; S143-V341 WeakPolarHBondContact OG-CG2 3.2Å; S143-V341 PolarHBondContact OG-N 2.94Å; Y339-V341 PolarHBondContact O-N 2.89Å; Y339-V341 VanDerWaalsContact O-N 3.15Å; V341-G344 PolarHBondContact O-N 3.06Å; V341-G345 PolarHBondContact O-N 2.78Å
342W98.5Very high96Very high0 Ų039.4 Ų39.40%022%0.222CC..Hα-helixtrans-66.9-42.8-177.9-174.491.3000111.5V11 D13 K20 D26 A28 P29 Y339 S340 G344 G345 S346V11-W342 HydrophobicContact CB-CZ2 4.31Å; V11-W342 HydrophobicContact CG1-CG 4.27Å; V11-W342 PolarHBondContact O-NE1 3.38Å; D13-W342 HydrophobicContact CB-CB 4.22Å; K20-W342 HydrophobicContact CB-CB 4.33Å; K20-W342 HydrophobicContact CB-CG 4.18Å; K20-W342 VanDerWaalsContact O-CD1 3.32Å; D26-W342 HydrophobicContact CB-CH2 3.91Å; D26-W342 WeakPolarHBondContact O-CH2 3.4Å; D26-W342 WeakPolarHBondContact O-CZ3 3.44Å; A28-W342 WeakPolarHBondContact O-CH2 3.37Å; A28-W342 WeakPolarHBondContact O-CZ3 3.5Å; P29-W342 HydrophobicContact CB-CD2 3.7Å; P29-W342 HydrophobicContact CB-CE3 4.17Å; P29-W342 HydrophobicContact CB-CG 3.98Å; P29-W342 HydrophobicContact CB-CZ2 4.37Å; P29-W342 HydrophobicContact CG-CD2 4.27Å; P29-W342 HydrophobicContact CG-CE3 4.4Å; P29-W342 HydrophobicContact CG-CG 4.45Å; Y339-W342 PolarHBondContact O-N 3.45Å; S340-W342 PolarHBondContact O-N 3.35Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.32Å; W342-G345 CarbonylContact O-C 3.47Å; W342-G345 WeakPolarHBondContact O-CA 3.48Å; W342-G345 PolarHBondContact O-N 3.42Å; W342-G345 VanDerWaalsContact O-N 3.09Å; W342-S346 PolarHBondContact O-N 2.89Å
343I98.3Very high95.4Very high25 Ų2543.5 Ų43.513%0.12825%0.248CC..Hα-helixtrans-60.1-43.7176.7-66.4168.6000110.3A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.27Å; A146-I343 HydrophobicContact CB-CG2 4.06Å; E336-I343 HydrophobicContact CB-CD1 4.06Å; E336-I343 HydrophobicContact CG-CD1 3.64Å; Y339-I343 WeakPolarHBondContact O-CG1 3.23Å; Y339-I343 PolarHBondContact O-N 3.28Å; S340-I343 PolarHBondContact O-N 2.77Å; I343-G345 VanDerWaalsContact C-N 3.29Å; I343-G345 PolarHBondContact O-N 3.16Å; I343-S346 WeakPolarHBondContact O-CB 3.36Å; I343-S346 PolarHBondContact O-N 3.27Å; I343-I347 HydrophobicContact CG2-CD1 3.9Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 3.12Å
344G97.4Very high94.9Very high0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-61.2-38.3175.300000112.6L142 S340 V341 W342 L348L142-G344 WeakPolarHBondContact O-CA 3.44Å; S340-G344 PolarHBondContact O-N 2.81Å; V341-G344 PolarHBondContact O-N 3.06Å; W342-G344 VanDerWaalsContact C-N 3.31Å; W342-G344 PolarHBondContact O-N 3.32Å; G344-L348 VanDerWaalsContact O-CB 3.23Å; G344-L348 WeakPolarHBondContact O-CB 3.47Å; G344-L348 PolarHBondContact O-N 2.9Å
345G97.4Very high94.3Very high0 Ų045.4 Ų45.40%025%0.249CC..Hα-helixtrans-65.2-42172.600000113V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 2.78Å; W342-G345 CarbonylContact O-C 3.47Å; W342-G345 WeakPolarHBondContact O-CA 3.48Å; W342-G345 PolarHBondContact O-N 3.42Å; W342-G345 VanDerWaalsContact O-N 3.09Å; I343-G345 VanDerWaalsContact C-N 3.29Å; I343-G345 PolarHBondContact O-N 3.16Å; G345-L348 PolarHBondContact O-N 2.94Å; G345-A349 WeakPolarHBondContact O-CB 3.37Å; G345-A349 PolarHBondContact O-N 2.91Å
346S97.7Very high93.8Very high4 Ų448.5 Ų48.53%0.02826%0.255CS..Hα-helixtrans-62.1-43.2176.3-178.40000112.2G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-O 2.72Å; G25-S346 PolarHBondContact N-OG 3.29Å; D26-S346 PolarHBondContact N-OG 3.47Å; D26-S346 PolarHBondContact O-OG 3.41Å; W342-S346 PolarHBondContact O-N 2.89Å; I343-S346 WeakPolarHBondContact O-CB 3.36Å; I343-S346 PolarHBondContact O-N 3.27Å; S346-S350 WeakPolarHBondContact O-CB 3.36Å; S346-S350 PolarHBondContact O-N 2.93Å; S346-S350 PolarHBondContact O-OG 3.12Å
347I95.5Very high93.7Very high75 Ų7547.5 Ų47.539%0.38525%0.251SS..Hα-helixtrans-65.2-52.2174.2-65.9165.7000109.6I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.9Å; I343-I347 WeakPolarHBondContact O-CG1 3.49Å; I343-I347 PolarHBondContact O-N 3.12Å; I347-A349 PolarHBondContact O-N 3.47Å; I347-S350 PolarHBondContact O-N 3.13Å; I347-S350 PolarHBondContact O-OG 3.2Å; I347-L351 WeakPolarHBondContact O-CG 3.32Å; I347-L351 PolarHBondContact O-N 3.34Å
348L94.4Very high93.7Very high25 Ų2546.9 Ų46.913%0.13125%0.249CC..Hα-helixtrans-60.1-46.2-175.5-177.164.5000112L106 L142 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.23Å; L142-L348 HydrophobicContact CD2-CB 4.33Å; L142-L348 HydrophobicContact CD2-CD2 3.64Å; G344-L348 VanDerWaalsContact O-CB 3.23Å; G344-L348 WeakPolarHBondContact O-CB 3.47Å; G344-L348 PolarHBondContact O-N 2.9Å; G345-L348 PolarHBondContact O-N 2.94Å; L348-S350 VanDerWaalsContact C-N 3.25Å; L348-S350 PolarHBondContact O-N 3.24Å; L348-L351 HydrophobicContact CD1-CD1 4.4Å; L348-L351 PolarHBondContact O-N 2.86Å; L348-F354 HydrophobicContact CD1-CD2 3.63Å; L348-F354 HydrophobicContact CD1-CE2 3.96Å; L348-F354 HydrophobicContact CD1-CG 4.29Å; L348-F354 HydrophobicContact CD2-CD2 4.2Å; L348-F354 HydrophobicContact CD2-CE2 3.66Å; L348-F354 HydrophobicContact CD2-CZ 4.04Å; L348-F354 HydrophobicContact CG-CD2 3.65Å; L348-F354 HydrophobicContact CG-CE2 3.6Å; L348-F354 HydrophobicContact CG-CG 4.15Å; L348-F354 HydrophobicContact CG-CZ 4.05Å; L348-F354 WeakPolarHBondContact O-CB 3.22Å; L348-F354 WeakPolarHBondContact O-CG 3.4Å
349A95.2Very high93.7Very high5 Ų542.4 Ų42.44%0.04123%0.229CC..Hα-helixtrans-71.1-16.2-178.700000113.9A9 V11 A24 L106 G345 I347 W358A9-A349 HydrophobicContact CB-CB 4.17Å; V11-A349 HydrophobicContact CG2-CB 4.15Å; A24-A349 HydrophobicContact CB-CB 3.67Å; L106-A349 HydrophobicContact CB-CB 4.47Å; L106-A349 HydrophobicContact CD1-CB 4.06Å; G345-A349 WeakPolarHBondContact O-CB 3.37Å; G345-A349 PolarHBondContact O-N 2.91Å; I347-A349 PolarHBondContact O-N 3.47Å; A349-W358 HydrophobicContact CB-CH2 4.44Å; A349-W358 HydrophobicContact CB-CZ2 4.17Å
350S93.1Very high93.7Very high67 Ų6741.7 Ų41.747%0.46923%0.232SC..Hα-helixtrans-92.7-3.817558.20000113.8S346 I347 L348S346-S350 WeakPolarHBondContact O-CB 3.36Å; S346-S350 PolarHBondContact O-N 2.93Å; S346-S350 PolarHBondContact O-OG 3.12Å; I347-S350 PolarHBondContact O-N 3.13Å; I347-S350 PolarHBondContact O-OG 3.2Å; L348-S350 VanDerWaalsContact C-N 3.25Å; L348-S350 PolarHBondContact O-N 3.24Å
351L90.8Very high93.7Very high76 Ų7644.2 Ų44.240%0.39824%0.242SC..  trans-76.8128.7176.3-60.9179.1000111.3I347 L348 T353 F354I347-L351 WeakPolarHBondContact O-CG 3.32Å; I347-L351 PolarHBondContact O-N 3.34Å; L348-L351 HydrophobicContact CD1-CD1 4.4Å; L348-L351 PolarHBondContact O-N 2.86Å; L351-T353 PolarHBondContact O-N 2.88Å; L351-F354 HydrophobicContact CB-CB 4.11Å; L351-F354 VanDerWaalsContact O-CB 3.25Å; L351-F354 WeakPolarHBondContact O-CB 3.47Å; L351-F354 PolarHBondContact O-N 3.27Å
352S86.7Confident93.6Very high99 Ų9950.2 Ų50.269%0.69227%0.27SS*.G310 helixtrans-58.9-32.4174.457.60000113F354 Q355S352-F354 PolarHBondContact O-N 2.95Å; S352-Q355 WeakPolarHBondContact O-CB 3.48Å; S352-Q355 WeakPolarHBondContact O-CG 3.47Å; S352-Q355 PolarHBondContact O-N 3.4Å
353T86.9Confident93.6Very high107 Ų10752.9 Ų52.966%0.65628%0.283SS*.G310 helixtrans-68.3-21.6174.952.50000113.2L351 Q355L351-T353 PolarHBondContact O-N 2.88Å; T353-Q355 VanDerWaalsContact C-N 3.29Å
354F87.3Confident93.6Very high9 Ų952 Ų524%0.03928%0.278CS..G310 helixtrans-77.3-17178.6-171.1-108.6000112.5L106 Y135 L348 L351 S352 Q356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.15Å; L106-F354 HydrophobicContact CD1-CZ 4.05Å; Y135-F354 HydrophobicContact CD1-CE2 4.11Å; Y135-F354 AromaticContact CD1-CZ 3.53Å; Y135-F354 HydrophobicContact CD1-CZ 3.53Å; Y135-F354 HydrophobicContact CD2-CE2 4.27Å; Y135-F354 AromaticContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CD2-CZ 3.9Å; Y135-F354 HydrophobicContact CE1-CE2 4.09Å; Y135-F354 AromaticContact CE1-CZ 3.99Å; Y135-F354 HydrophobicContact CE1-CZ 3.99Å; Y135-F354 HydrophobicContact CE2-CE2 4.26Å; Y135-F354 HydrophobicContact CE2-CZ 4.33Å; Y135-F354 HydrophobicContact CG-CE1 4.37Å; Y135-F354 HydrophobicContact CG-CE2 4.19Å; Y135-F354 AromaticContact CG-CZ 3.47Å; Y135-F354 HydrophobicContact CG-CZ 3.47Å; Y135-F354 VanDerWaalsContact CG-CZ 3.47Å; L348-F354 HydrophobicContact CD1-CD2 3.63Å; L348-F354 HydrophobicContact CD1-CE2 3.96Å; L348-F354 HydrophobicContact CD1-CG 4.29Å; L348-F354 HydrophobicContact CD2-CD2 4.2Å; L348-F354 HydrophobicContact CD2-CE2 3.66Å; L348-F354 HydrophobicContact CD2-CZ 4.04Å; L348-F354 HydrophobicContact CG-CD2 3.65Å; L348-F354 HydrophobicContact CG-CE2 3.6Å; L348-F354 HydrophobicContact CG-CG 4.15Å; L348-F354 HydrophobicContact CG-CZ 4.05Å; L348-F354 WeakPolarHBondContact O-CB 3.22Å; L348-F354 WeakPolarHBondContact O-CG 3.4Å; L351-F354 HydrophobicContact CB-CB 4.11Å; L351-F354 VanDerWaalsContact O-CB 3.25Å; L351-F354 WeakPolarHBondContact O-CB 3.47Å; L351-F354 PolarHBondContact O-N 3.27Å; S352-F354 PolarHBondContact O-N 2.95Å; F354-Q356 PolarHBondContact O-N 3.44Å; F354-M357 HydrophobicContact CD2-CB 3.82Å; F354-M357 HydrophobicContact CD2-CG 4.04Å; F354-M357 HydrophobicContact CE2-CB 3.8Å; F354-M357 HydrophobicContact CE2-CG 4.34Å; F354-M357 HydrophobicContact CG-CB 4.46Å; F354-M357 HydrophobicContact CZ-CB 4.43Å; F354-M357 WeakPolarHBondContact O-CB 3.38Å; F354-M357 PolarHBondContact O-N 2.9Å; F354-W358 HydrophobicContact CD1-CD2 4.47Å; F354-W358 AromaticContact CD1-CE2 3.81Å; F354-W358 AromaticContact CD1-CZ2 3.99Å; F354-W358 HydrophobicContact CD1-CZ2 3.99Å; F354-W358 AromaticContact CD1-NE1 3.83Å; F354-W358 HydrophobicContact CE1-CD2 4.05Å; F354-W358 AromaticContact CE1-CE2 3.65Å; F354-W358 HydrophobicContact CE1-CE3 4.41Å; F354-W358 HydrophobicContact CE1-CH2 4.07Å; F354-W358 AromaticContact CE1-CZ2 3.67Å; F354-W358 HydrophobicContact CE1-CZ2 3.67Å; F354-W358 HydrophobicContact CE1-CZ3 4.41Å
355Q84.1Confident93.6Very high82 Ų8257 Ų5738%0.38330%0.304SS..G310 helixtrans-57.2-28.2-178.3-65.3-65.56.500113.3E6 S352 T353 M357E6-Q355 PolarHBondContact OE1-NE2 3.46Å; S352-Q355 WeakPolarHBondContact O-CB 3.48Å; S352-Q355 WeakPolarHBondContact O-CG 3.47Å; S352-Q355 PolarHBondContact O-N 3.4Å; T353-Q355 VanDerWaalsContact C-N 3.29Å; Q355-M357 VanDerWaalsContact C-N 3.34Å
356Q86.6Confident93.6Very high165 Ų16564.5 Ų64.577%0.77134%0.339SS*.G310 helixtrans-77.8-17.6178.1-61.4179.6-0.900113.8F354 K375F354-Q356 PolarHBondContact O-N 3.44Å; Q356-K375 PolarHBondContact O-NZ 3.31Å
357M91.9Very high93.5Very high72 Ų7265.9 Ų65.936%0.35535%0.351SS..THydrogen-bonded Turntrans-86.9-20.1-176.5-63.7-60.7-64.400112.9Y135 F354 Q355 K375Y135-M357 HydrophobicContact CD2-CB 4.36Å; Y135-M357 WeakPolarHBondContact CD2-O 3.47Å; Y135-M357 HydrophobicContact CE2-CB 4.17Å; Y135-M357 HydrophobicContact CE2-CE 4.28Å; F354-M357 HydrophobicContact CD2-CB 3.82Å; F354-M357 HydrophobicContact CD2-CG 4.04Å; F354-M357 HydrophobicContact CE2-CB 3.8Å; F354-M357 HydrophobicContact CE2-CG 4.34Å; F354-M357 HydrophobicContact CG-CB 4.46Å; F354-M357 HydrophobicContact CZ-CB 4.43Å; F354-M357 WeakPolarHBondContact O-CB 3.38Å; F354-M357 PolarHBondContact O-N 2.9Å; Q355-M357 VanDerWaalsContact C-N 3.34Å; M357-K375 WeakPolarHBondContact CE-O 3.41Å; M357-K375 WeakPolarHBondContact O-CD 3.46Å
358W95.8Very high93.6Very high14 Ų1463.3 Ų63.35%0.05334%0.343CS..SBendtrans-55.2141.8174.6-69118.1000111.3A9 P104 L106 A133 A349 F354 K375A9-W358 HydrophobicContact CB-CH2 3.93Å; A9-W358 HydrophobicContact CB-CZ2 3.7Å; P104-W358 HydrophobicContact CB-CD2 4.34Å; P104-W358 HydrophobicContact CB-CE3 4.33Å; P104-W358 HydrophobicContact CB-CH2 4Å; P104-W358 HydrophobicContact CB-CZ2 3.99Å; P104-W358 HydrophobicContact CB-CZ3 4.18Å; L106-W358 HydrophobicContact CB-CH2 3.9Å; L106-W358 HydrophobicContact CB-CZ3 4.28Å; A133-W358 HydrophobicContact CB-CB 4.11Å; A133-W358 HydrophobicContact CB-CE3 4.49Å; A133-W358 HydrophobicContact CB-CG 4.46Å; A349-W358 HydrophobicContact CB-CH2 4.44Å; A349-W358 HydrophobicContact CB-CZ2 4.17Å; F354-W358 HydrophobicContact CD1-CD2 4.47Å; F354-W358 AromaticContact CD1-CE2 3.81Å; F354-W358 AromaticContact CD1-CZ2 3.99Å; F354-W358 HydrophobicContact CD1-CZ2 3.99Å; F354-W358 AromaticContact CD1-NE1 3.83Å; F354-W358 HydrophobicContact CE1-CD2 4.05Å; F354-W358 AromaticContact CE1-CE2 3.65Å; F354-W358 HydrophobicContact CE1-CE3 4.41Å; F354-W358 HydrophobicContact CE1-CH2 4.07Å; F354-W358 AromaticContact CE1-CZ2 3.67Å; F354-W358 HydrophobicContact CE1-CZ2 3.67Å; F354-W358 HydrophobicContact CE1-CZ3 4.41Å; W358-K375 PolarHBondContact O-NZ 2.83Å
359I97.6Very high93.6Very high0 Ų064 Ų640%035%0.349CS..EExtended strand (participates in β ladder)trans-88.9117.5165.9-58.4163000105.5F126 A133 M134 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.89Å; F126-I359 HydrophobicContact CZ-CB 4.29Å; F126-I359 HydrophobicContact CZ-CG2 3.86Å; F126-I359 WeakPolarHBondContact CZ-O 3.36Å; A133-I359 CarbonylContact C-O 3.6Å; A133-I359 WeakPolarHBondContact CA-O 3.44Å; A133-I359 WeakPolarHBondContact CB-O 3.36Å; M134-I359 PolarHBondContact N-O 3.32Å; M134-I359 WeakPolarHBondContact O-CB 3.33Å; M134-I359 PolarHBondContact O-N 2.88Å; I359-E363 WeakPolarHBondContact CA-OE2 3.33Å; I359-E363 HydrophobicContact CG2-CB 4.45Å; I359-I371 HydrophobicContact CD1-CG2 4.42Å; I359-I371 HydrophobicContact CG2-CB 4.47Å; I359-I371 HydrophobicContact CG2-CG1 4.03Å; I359-I371 HydrophobicContact CG2-CG2 3.54Å; I359-V372 HydrophobicContact CD1-CB 3.98Å; I359-V372 HydrophobicContact CD1-CG2 3.88Å; I359-K375 HydrophobicContact CD1-CB 4.33Å; I359-K375 HydrophobicContact CG1-CB 3.9Å; I359-K375 HydrophobicContact CG1-CD 4.07Å; I359-K375 HydrophobicContact CG1-CG 4.24Å
360S97.4Very high93.7Very high37 Ų3765.9 Ų65.926%0.25936%0.362SS..EExtended strand (participates in β ladder)trans-81.2161175.474.60000111.4E362 E363 Y364S360-E362 PolarHBondContact O-N 3.34Å; S360-E362 PolarHBondContact OG-N 3Å; S360-E363 PolarHBondContact N-OE2 3.3Å; S360-E363 PolarHBondContact O-N 3.32Å; S360-E363 WeakPolarHBondContact OG-CG 3.44Å; S360-E363 PolarHBondContact OG-N 3.1Å; S360-E363 VanDerWaalsContact OG-N 3.12Å; S360-Y364 PolarHBondContact O-N 3.08Å
361K96.8Very high93.9Very high56 Ų5663.3 Ų63.324%0.24334%0.343CS..Hα-helixtrans-55.8-38.5171.1-17472.1178.390.40112.2F126 P132 Y364 D365F126-K361 HydrophobicContact CB-CD 4.07Å; F126-K361 HydrophobicContact CD1-CB 4.3Å; F126-K361 HydrophobicContact CD1-CD 3.46Å; F126-K361 VanDerWaalsContact CD1-CD 3.46Å; F126-K361 HydrophobicContact CD1-CG 4.5Å; F126-K361 HydrophobicContact CE1-CB 4.2Å; F126-K361 HydrophobicContact CE1-CD 4.19Å; F126-K361 HydrophobicContact CG-CD 4.1Å; F126-K361 WeakPolarHBondContact O-CE 3.36Å; P132-K361 PolarHBondContact O-N 2.82Å; K361-Y364 WeakPolarHBondContact O-CB 3.42Å; K361-Y364 PolarHBondContact O-N 3.24Å; K361-D365 VanDerWaalsContact NZ-CG 3.31Å; K361-D365 IonicContact NZ-OD1 3.79Å; K361-D365 PolarHBondContact NZ-OD1 2.83Å; K361-D365 IonicContact NZ-OD2 3.84Å; K361-D365 PolarHBondContact NZ-OD2 3.39Å; K361-D365 VanDerWaalsContact O-CG 3.28Å; K361-D365 PolarHBondContact O-N 3.01Å
362E97.1Very high94.1Very high137 Ų13759.7 Ų59.764%0.6432%0.324SS*.Hα-helixtrans-62.4-48.4177.2-176.6177.6-164.600111.6S360 Y364 D365 E366S360-E362 PolarHBondContact O-N 3.34Å; S360-E362 PolarHBondContact OG-N 3Å; E362-Y364 VanDerWaalsContact C-N 3.25Å; E362-Y364 PolarHBondContact O-N 3.44Å; E362-D365 PolarHBondContact O-N 3Å; E362-D365 VanDerWaalsContact O-N 3.15Å; E362-E366 WeakPolarHBondContact O-CG 3.24Å; E362-E366 PolarHBondContact O-N 2.84Å; E362-E366 VanDerWaalsContact O-N 3.08Å
363E97.1Very high94.4Very high56 Ų5657 Ų5726%0.26230%0.3SS..Hα-helixtrans-61.3-36.2176.5-70.3178.2131.500112I359 S360 A367 I371 K375I359-E363 WeakPolarHBondContact CA-OE2 3.33Å; I359-E363 HydrophobicContact CG2-CB 4.45Å; S360-E363 PolarHBondContact N-OE2 3.3Å; S360-E363 PolarHBondContact O-N 3.32Å; S360-E363 WeakPolarHBondContact OG-CG 3.44Å; S360-E363 PolarHBondContact OG-N 3.1Å; S360-E363 VanDerWaalsContact OG-N 3.12Å; E363-A367 WeakPolarHBondContact O-CB 3.38Å; E363-A367 PolarHBondContact O-N 3.4Å; E363-I371 HydrophobicContact CB-CG1 4.36Å; E363-K375 WeakPolarHBondContact OE1-CE 3.44Å; E363-K375 IonicContact OE1-NZ 3.76Å; E363-K375 PolarHBondContact OE1-NZ 3.36Å; E363-K375 WeakPolarHBondContact OE2-CE 3.32Å; E363-K375 IonicContact OE2-NZ 3.02Å; E363-K375 PolarHBondContact OE2-NZ 3.19Å
364Y98.1Very high94.6Very high7 Ų759.9 Ų59.93%0.02730%0.299CS..Hα-helixtrans-66.5-44.3173.9175.7-91.9000112.3T122 F126 E127 S360 K361 E362 E366 A367 G368 P369 I371T122-Y364 HydrophobicContact CG2-CD2 3.88Å; T122-Y364 HydrophobicContact CG2-CE2 3.97Å; F126-Y364 HydrophobicContact CB-CD1 3.79Å; F126-Y364 HydrophobicContact CB-CD2 4.34Å; F126-Y364 HydrophobicContact CB-CE1 3.85Å; F126-Y364 HydrophobicContact CB-CE2 4.37Å; F126-Y364 HydrophobicContact CB-CG 4.04Å; F126-Y364 HydrophobicContact CD2-CD1 4.04Å; F126-Y364 AromaticContact CD2-CD2 3.29Å; F126-Y364 HydrophobicContact CD2-CD2 3.29Å; F126-Y364 AromaticContact CD2-CE2 3.86Å; F126-Y364 HydrophobicContact CD2-CE2 3.86Å; F126-Y364 AromaticContact CD2-CG 3.38Å; F126-Y364 HydrophobicContact CD2-CG 3.38Å; F126-Y364 AromaticContact CE2-CD2 3.78Å; F126-Y364 HydrophobicContact CE2-CD2 3.78Å; F126-Y364 AromaticContact CE2-CG 3.84Å; F126-Y364 HydrophobicContact CE2-CG 3.84Å; F126-Y364 HydrophobicContact CG-CD1 4.01Å; F126-Y364 HydrophobicContact CG-CD2 4.09Å; F126-Y364 HydrophobicContact CG-CE1 4.5Å; F126-Y364 AromaticContact CG-CG 3.79Å; F126-Y364 HydrophobicContact CG-CG 3.79Å; E127-Y364 HydrophobicContact CG-CE1 4.12Å; E127-Y364 PolarHBondContact OE1-OH 2.96Å; S360-Y364 PolarHBondContact O-N 3.08Å; K361-Y364 WeakPolarHBondContact O-CB 3.42Å; K361-Y364 PolarHBondContact O-N 3.24Å; E362-Y364 VanDerWaalsContact C-N 3.25Å; E362-Y364 PolarHBondContact O-N 3.44Å; Y364-E366 PolarHBondContact O-N 3.13Å; Y364-A367 PolarHBondContact O-N 3.21Å; Y364-G368 WeakPolarHBondContact O-CA 3.38Å; Y364-G368 PolarHBondContact O-N 3.12Å; Y364-P369 HydrophobicContact CE2-CB 4.2Å; Y364-P369 HydrophobicContact CE2-CG 3.83Å; Y364-I371 HydrophobicContact CD2-CG2 4.5Å
365D97.4Very high94.7Very high105 Ų10561.3 Ų61.356%0.56131%0.305SS*.Hα-helixtrans-65.3-29.4-179.3-72.2-24.7000112.1K361 E362K361-D365 VanDerWaalsContact NZ-CG 3.31Å; K361-D365 IonicContact NZ-OD1 3.79Å; K361-D365 PolarHBondContact NZ-OD1 2.83Å; K361-D365 IonicContact NZ-OD2 3.84Å; K361-D365 PolarHBondContact NZ-OD2 3.39Å; K361-D365 VanDerWaalsContact O-CG 3.28Å; K361-D365 PolarHBondContact O-N 3.01Å; E362-D365 PolarHBondContact O-N 3Å; E362-D365 VanDerWaalsContact O-N 3.15Å
366E97.3Very high94.9Very high157 Ų15757.6 Ų57.673%0.73429%0.288SS*.Hα-helixtrans-80.5-44.1176-68.7-174.2167.700113.9E362 Y364E362-E366 WeakPolarHBondContact O-CG 3.24Å; E362-E366 PolarHBondContact O-N 2.84Å; E362-E366 VanDerWaalsContact O-N 3.08Å; Y364-E366 PolarHBondContact O-N 3.13Å
367A96.6Very high94.3Very high32 Ų3256.9 Ų56.926%0.26428%0.283SS..Hα-helixtrans-106.8-7.7-17000000114.5E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.38Å; E363-A367 PolarHBondContact O-N 3.4Å; Y364-A367 PolarHBondContact O-N 3.21Å; A367-S370 PolarHBondContact O-OG 3.01Å; A367-S370 VanDerWaalsContact O-OG 3.14Å; A367-I371 HydrophobicContact CB-CB 4.04Å; A367-I371 HydrophobicContact CB-CD1 4.2Å; A367-I371 HydrophobicContact CB-CG1 4.46Å
368G96.8Very high94.5Very high21 Ų2156.2 Ų56.222%0.21628%0.279CS..  trans64.6-168.4-173.100000113.5Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.38Å; Y364-G368 PolarHBondContact O-N 3.12Å; G368-S370 PolarHBondContact O-N 2.95Å; G368-I371 VanDerWaalsContact O-CG2 3.24Å; G368-I371 WeakPolarHBondContact O-CG2 3.47Å; G368-I371 PolarHBondContact O-N 3.04Å
369P96.1Very high94.4Very high40 Ų4058.4 Ų58.426%0.2629%0.291SS..G310 helixtrans-55.9-26.4-177.2-26.433000115.2E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.77Å; E119-P369 HydrophobicContact CG-CB 4.09Å; Q123-P369 HydrophobicContact CB-CG 4.4Å; Y364-P369 HydrophobicContact CE2-CB 4.2Å; Y364-P369 HydrophobicContact CE2-CG 3.83Å; P369-I371 PolarHBondContact O-N 2.95Å; P369-I371 VanDerWaalsContact O-N 3.11Å; P369-V372 VanDerWaalsContact O-CG1 3.28Å; P369-V372 WeakPolarHBondContact O-CG1 3.3Å; P369-V372 PolarHBondContact O-N 3.03Å
370S96.4Very high94.2Very high45 Ų4561.6 Ų61.632%0.31531%0.307SS..G310 helixtrans-63.9-16.7-177.275.60000114.1A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 3.01Å; A367-S370 VanDerWaalsContact O-OG 3.14Å; G368-S370 PolarHBondContact O-N 2.95Å; S370-V372 PolarHBondContact O-N 2.95Å; S370-H373 PolarHBondContact O-N 2.86Å; S370-H373 VanDerWaalsContact O-N 3.09Å
371I96.3Very high94Very high13 Ų1363.1 Ų63.17%0.06731%0.31CS..G310 helixtrans-55.7-31.6176.6-170.957.6000112.5I359 E363 Y364 A367 G368 P369 H373 R374 K375I359-I371 HydrophobicContact CD1-CG2 4.42Å; I359-I371 HydrophobicContact CG2-CB 4.47Å; I359-I371 HydrophobicContact CG2-CG1 4.03Å; I359-I371 HydrophobicContact CG2-CG2 3.54Å; E363-I371 HydrophobicContact CB-CG1 4.36Å; Y364-I371 HydrophobicContact CD2-CG2 4.5Å; A367-I371 HydrophobicContact CB-CB 4.04Å; A367-I371 HydrophobicContact CB-CD1 4.2Å; A367-I371 HydrophobicContact CB-CG1 4.46Å; G368-I371 VanDerWaalsContact O-CG2 3.24Å; G368-I371 WeakPolarHBondContact O-CG2 3.47Å; G368-I371 PolarHBondContact O-N 3.04Å; P369-I371 PolarHBondContact O-N 2.95Å; P369-I371 VanDerWaalsContact O-N 3.11Å; I371-H373 PolarHBondContact O-N 3.48Å; I371-H373 VanDerWaalsContact O-N 3.14Å; I371-R374 HydrophobicContact CD1-CB 4.42Å; I371-R374 WeakPolarHBondContact O-CB 3.38Å; I371-R374 PolarHBondContact O-N 3.17Å; I371-K375 PolarHBondContact O-N 2.74Å
372V95.6Very high93.9Very high0 Ų063.5 Ų63.50%031%0.314CS..Hα-helixtrans-60.1-28.4179.976.50000112.6R118 E119 T122 V136 I359 P369 S370 R374 C376R118-V372 HydrophobicContact CB-CG1 4.4Å; R118-V372 HydrophobicContact CG-CB 4.48Å; R118-V372 HydrophobicContact CG-CG1 3.83Å; R118-V372 HydrophobicContact CG-CG2 3.79Å; E119-V372 HydrophobicContact CG-CG1 4.39Å; T122-V372 HydrophobicContact CG2-CB 4.46Å; V136-V372 HydrophobicContact CB-CG2 4.3Å; V136-V372 HydrophobicContact CG2-CG2 4.02Å; I359-V372 HydrophobicContact CD1-CB 3.98Å; I359-V372 HydrophobicContact CD1-CG2 3.88Å; P369-V372 VanDerWaalsContact O-CG1 3.28Å; P369-V372 WeakPolarHBondContact O-CG1 3.3Å; P369-V372 PolarHBondContact O-N 3.03Å; S370-V372 PolarHBondContact O-N 2.95Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 2.98Å; V372-C376 HydrophobicContact CG2-CB 4.09Å; V372-C376 VanDerWaalsContact O-CB 3.24Å; V372-C376 WeakPolarHBondContact O-CB 3.34Å; V372-C376 PolarHBondContact O-N 3.43Å
373H93.7Very high93.6Very high41 Ų4158.6 Ų58.619%0.1929%0.292CS..Hα-helixtrans-79.1-12.7177.3-62.1-45.6000114E119 S370 I371E119-H373 WeakPolarHBondContact CG-NE2 3.42Å; E119-H373 IonicContact OE1-CD2 2.79Å; E119-H373 PolarHBondContact OE1-CD2 3.33Å; E119-H373 IonicContact OE1-NE2 2.9Å; E119-H373 PolarHBondContact OE1-NE2 3.35Å; S370-H373 PolarHBondContact O-N 2.86Å; S370-H373 VanDerWaalsContact O-N 3.09Å; I371-H373 PolarHBondContact O-N 3.48Å; I371-H373 VanDerWaalsContact O-N 3.14Å
374R90.8Very high93.4Very high168 Ų16858.8 Ų58.863%0.63430%0.295SS*.Hα-helixtrans-94.9-27.2177.1-57.8-176.1-170.7168.84.8112.4I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.42Å; I371-R374 WeakPolarHBondContact O-CB 3.38Å; I371-R374 PolarHBondContact O-N 3.17Å; V372-R374 VanDerWaalsContact C-N 3.3Å; V372-R374 PolarHBondContact O-N 2.98Å; R374-F377 WeakPolarHBondContact O-CE2 3.19Å; R374-F377 WeakPolarHBondContact O-CZ 3.3Å
375K90.3Very high93Very high40 Ų4062.8 Ų62.817%0.17432%0.315CS..Hα-helixtrans-105.5-31.8-178.1-71.7-142.1179.7176.30114.5Q356 M357 W358 I359 E363 I371Q356-K375 PolarHBondContact O-NZ 3.31Å; M357-K375 WeakPolarHBondContact CE-O 3.41Å; M357-K375 WeakPolarHBondContact O-CD 3.46Å; W358-K375 PolarHBondContact O-NZ 2.83Å; I359-K375 HydrophobicContact CD1-CB 4.33Å; I359-K375 HydrophobicContact CG1-CB 3.9Å; I359-K375 HydrophobicContact CG1-CD 4.07Å; I359-K375 HydrophobicContact CG1-CG 4.24Å; E363-K375 WeakPolarHBondContact OE1-CE 3.44Å; E363-K375 IonicContact OE1-NZ 3.76Å; E363-K375 PolarHBondContact OE1-NZ 3.36Å; E363-K375 WeakPolarHBondContact OE2-CE 3.32Å; E363-K375 IonicContact OE2-NZ 3.02Å; E363-K375 PolarHBondContact OE2-NZ 3.19Å; I371-K375 PolarHBondContact O-N 2.74Å
376C87.3Confident92.7Very high3 Ų359.3 Ų59.32%0.0230%0.295CS..  trans-104108.7-176.6-56.20000111R118 Y135 V136 V372R118-C376 PolarHBondContact NH1-O 3.45Å; Y135-C376 WeakPolarHBondContact CD2-SG 3.47Å; Y135-C376 HydrophobicContact CE2-CB 4.22Å; Y135-C376 WeakPolarHBondContact CE2-SG 3.44Å; V136-C376 HydrophobicContact CB-CB 4.48Å; V136-C376 PolarHBondContact N-SG 3.46Å; V136-C376 VanDerWaalsContact N-SG 3.38Å; V136-C376 VanDerWaalsContact O-CB 3.28Å; V136-C376 WeakPolarHBondContact O-CB 3.28Å; V372-C376 HydrophobicContact CG2-CB 4.09Å; V372-C376 VanDerWaalsContact O-CB 3.24Å; V372-C376 WeakPolarHBondContact O-CB 3.34Å; V372-C376 PolarHBondContact O-N 3.43Å
377F75.1Confident92.3Very high151 Ų15150.4 Ų50.466%0.66226%0.255SS*.  trans-1090-178.6-64.4-74.9000113.3I138 R374I138-F377 WeakPolarHBondContact CD1-OXT 3.05Å; R374-F377 WeakPolarHBondContact O-CE2 3.19Å; R374-F377 WeakPolarHBondContact O-CZ 3.3Å

Retrieved 377 of 377 residues in 156.2 ms (Link to these results)

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