A0A077Z406_TRITR Loading...

Putative hspa heat shock 70kda binding protein cy toplasmic cochaperone 1

AlphaFold DB , UniProt , Accession A0A077Z406, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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
1M78.3Confident85.3Confident48 Ų4872.4 Ų72.424%0.23636%0.359CS..  0135.80-178.1178.5-79.900109.2I3 G32 E34 Q157 I158M1-I3 HydrophobicContact CG-CD1 4.12Å; M1-I3 HydrophobicContact CG-CG1 3.94Å; M1-I3 HydrophobicContact SD-CD1 3.83Å; M1-I3 HydrophobicContact SD-CG1 4.24Å; M1-G32 CarbonylContact O-C 3.58Å; M1-G32 VanDerWaalsContact O-C 3.26Å; M1-E34 PolarHBondContact N-OE1 2.85Å; M1-E34 VanDerWaalsContact N-OE1 3.1Å; M1-Q157 HydrophobicContact CE-CB 4.3Å; M1-Q157 HydrophobicContact CE-CG 3.65Å; M1-Q157 HydrophobicContact CG-CG 4.04Å; M1-Q157 HydrophobicContact SD-CB 3.78Å; M1-Q157 HydrophobicContact SD-CG 3.44Å; M1-Q157 WeakPolarHBondContact SD-CG 3.27Å; M1-I158 HydrophobicContact CE-CG1 3.92Å; M1-I158 HydrophobicContact SD-CG1 4.49Å
2R80.3Confident85.8Confident217 Ų21768.5 Ų68.582%0.81935%0.347SS*.  trans-125.3117.9176.3-74.8-168.8177.4-178.60.6109.4V30R2-V30 HydrophobicContact CB-CG1 3.6Å; R2-V30 HydrophobicContact CG-CG1 3.83Å
3I84.3Confident86.5Confident16 Ų1664.2 Ų64.28%0.08232%0.324CS..BIsolated β-bridgetrans-115.9122.1-174.1-53.6161.4000109.1M1 V30 V31 P153 I154 Q157M1-I3 HydrophobicContact CG-CD1 4.12Å; M1-I3 HydrophobicContact CG-CG1 3.94Å; M1-I3 HydrophobicContact SD-CD1 3.83Å; M1-I3 HydrophobicContact SD-CG1 4.24Å; I3-V30 WeakPolarHBondContact O-CA 3.3Å; I3-V31 PolarHBondContact N-O 3.18Å; I3-V31 PolarHBondContact O-N 2.97Å; I3-V31 VanDerWaalsContact O-N 3.12Å; I3-P153 HydrophobicContact CG2-CB 4.16Å; I3-I154 HydrophobicContact CD1-CB 4.4Å; I3-I154 HydrophobicContact CD1-CG1 4.06Å; I3-Q157 HydrophobicContact CD1-CB 3.87Å; I3-Q157 HydrophobicContact CD1-CG 4.37Å; I3-Q157 HydrophobicContact CG1-CB 4.19Å; I3-Q157 HydrophobicContact CG1-CG 4.26Å
4V81.3Confident86.9Confident124 Ų12461.2 Ų61.275%0.75231%0.312SS*.PPolyproline II helixtrans-82.6126.1169.4-179.10000107.9
5I82.4Confident87.1Confident13 Ų1363.7 Ų63.77%0.06732%0.322CS..PPolyproline II helixtrans-100.5133.1-175.2-67.4-175.3000110Y9 W10 V31 P153I5-Y9 HydrophobicContact CD1-CD1 4.48Å; I5-Y9 HydrophobicContact CD1-CE1 4.23Å; I5-Y9 HydrophobicContact CG2-CD1 3.2Å; I5-Y9 HydrophobicContact CG2-CE1 3.96Å; I5-Y9 HydrophobicContact CG2-CG 3.62Å; I5-W10 HydrophobicContact CB-CZ2 3.91Å; I5-W10 HydrophobicContact CD1-CH2 4Å; I5-W10 HydrophobicContact CD1-CZ2 3.61Å; I5-W10 HydrophobicContact CG1-CZ2 4.25Å; I5-W10 HydrophobicContact CG2-CD2 4.33Å; I5-W10 HydrophobicContact CG2-CZ2 3.97Å; I5-V31 HydrophobicContact CD1-CB 3.67Å; I5-V31 HydrophobicContact CD1-CG1 4.43Å; I5-V31 HydrophobicContact CD1-CG2 3.25Å; I5-V31 HydrophobicContact CG1-CB 4.42Å; I5-V31 HydrophobicContact CG1-CG2 4.32Å; I5-P153 HydrophobicContact CD1-CB 4.17Å; I5-P153 HydrophobicContact CD1-CG 3.67Å; I5-P153 HydrophobicContact CG1-CB 4.2Å; I5-P153 HydrophobicContact CG1-CG 4.24Å
6P84.1Confident87.6Confident44 Ų4460.1 Ų60.129%0.28630%0.303SS..PPolyproline II helixtrans-58.4146.8176.4-22.833000113.2K8 Y9P6-K8 VanDerWaalsContact C-N 3.3Å; P6-K8 PolarHBondContact O-N 3.48Å; P6-Y9 WeakPolarHBondContact O-CB 3.48Å; P6-Y9 PolarHBondContact O-N 2.93Å
7T85.9Confident87.9Confident101 Ų10156.6 Ų56.662%0.6229%0.285SS*.Hα-helixtrans-56.7-41.7178.2-530000112.7Y9 W10 D11T7-Y9 VanDerWaalsContact C-N 3.27Å; T7-Y9 PolarHBondContact O-N 3.42Å; T7-W10 WeakPolarHBondContact O-CB 3.4Å; T7-W10 PolarHBondContact O-N 2.92Å; T7-D11 PolarHBondContact O-N 3.36Å
8K88Confident88Confident127 Ų12760.7 Ų60.755%0.55230%0.301SS*.Hα-helixtrans-57.2-39179.7-68.9-171.7175.3-174.10113P6 W10 D11 A12P6-K8 VanDerWaalsContact C-N 3.3Å; P6-K8 PolarHBondContact O-N 3.48Å; K8-W10 VanDerWaalsContact C-N 3.28Å; K8-W10 PolarHBondContact O-N 3.42Å; K8-D11 PolarHBondContact O-N 3.1Å; K8-A12 PolarHBondContact O-N 3.37Å; K8-A12 VanDerWaalsContact O-N 3.14Å
9Y92Very high88.1Confident0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-59.1-40.1174.2174.7-87000111.8I5 P6 T7 A12 Y13 H150 I152 L188 C192I5-Y9 HydrophobicContact CD1-CD1 4.48Å; I5-Y9 HydrophobicContact CD1-CE1 4.23Å; I5-Y9 HydrophobicContact CG2-CD1 3.2Å; I5-Y9 HydrophobicContact CG2-CE1 3.96Å; I5-Y9 HydrophobicContact CG2-CG 3.62Å; P6-Y9 WeakPolarHBondContact O-CB 3.48Å; P6-Y9 PolarHBondContact O-N 2.93Å; T7-Y9 VanDerWaalsContact C-N 3.27Å; T7-Y9 PolarHBondContact O-N 3.42Å; Y9-A12 PolarHBondContact O-N 3.09Å; Y9-Y13 HydrophobicContact CE1-CD2 4.44Å; Y9-Y13 HydrophobicContact CE1-CG 4.35Å; Y9-Y13 WeakPolarHBondContact O-CB 3.35Å; Y9-Y13 PolarHBondContact O-N 2.96Å; Y9-H150 AromaticContact CE1-ND1 3.89Å; Y9-H150 PolarHBondContact OH-ND1 2.95Å; Y9-I152 HydrophobicContact CE2-CD1 4.48Å; Y9-L188 HydrophobicContact CE2-CB 4.22Å; Y9-L188 HydrophobicContact CE2-CD2 4.46Å; Y9-C192 HydrophobicContact CD2-CB 3.73Å; Y9-C192 HydrophobicContact CE2-CB 4.34Å
10W91.3Very high88.2Confident20 Ų2062.5 Ų62.58%0.07631%0.313CS..Hα-helixtrans-68.5-35.3-178.5-70.6116.8000113.1I5 T7 K8 Y13 C14 R27 F28 V31 H150I5-W10 HydrophobicContact CB-CZ2 3.91Å; I5-W10 HydrophobicContact CD1-CH2 4Å; I5-W10 HydrophobicContact CD1-CZ2 3.61Å; I5-W10 HydrophobicContact CG1-CZ2 4.25Å; I5-W10 HydrophobicContact CG2-CD2 4.33Å; I5-W10 HydrophobicContact CG2-CZ2 3.97Å; T7-W10 WeakPolarHBondContact O-CB 3.4Å; T7-W10 PolarHBondContact O-N 2.92Å; K8-W10 VanDerWaalsContact C-N 3.28Å; K8-W10 PolarHBondContact O-N 3.42Å; W10-Y13 AromaticContact CE3-CD1 3.97Å; W10-Y13 HydrophobicContact CE3-CD1 3.97Å; W10-Y13 HydrophobicContact CE3-CG 4.4Å; W10-Y13 HydrophobicContact CZ3-CD1 4.02Å; W10-Y13 HydrophobicContact CZ3-CE1 4.37Å; W10-Y13 PolarHBondContact O-N 3.29Å; W10-C14 WeakPolarHBondContact O-CB 3.08Å; W10-C14 PolarHBondContact O-N 2.66Å; W10-C14 PolarHBondContact O-SG 3.15Å; W10-R27 HydrophobicContact CB-CG 4.37Å; W10-R27 HydrophobicContact CD2-CB 4.27Å; W10-R27 HydrophobicContact CD2-CG 4.12Å; W10-R27 HydrophobicContact CE3-CB 4.21Å; W10-R27 HydrophobicContact CE3-CG 3.96Å; W10-R27 HydrophobicContact CG-CG 4.31Å; W10-F28 HydrophobicContact CH2-CB 4.13Å; W10-F28 HydrophobicContact CH2-CD2 4.12Å; W10-F28 HydrophobicContact CZ2-CB 4.42Å; W10-F28 WeakPolarHBondContact CZ2-O 3.49Å; W10-V31 HydrophobicContact CH2-CG2 4.32Å; W10-H150 AromaticContact CH2-CE1 3.79Å; W10-H150 AromaticContact CZ3-CE1 3.47Å; W10-H150 VanDerWaalsContact CZ3-CE1 3.47Å; W10-H150 WeakPolarHBondContact CZ3-CE1 3.46Å; W10-H150 AromaticContact CZ3-NE2 3.94Å
11D90.1Very high88.2Confident86 Ų8662.3 Ų62.346%0.4633%0.327SS..Hα-helixtrans-68.7-45176.8-63.7-29.9000110.5T7 K8 Y13 C14 Q15 R27T7-D11 PolarHBondContact O-N 3.36Å; K8-D11 PolarHBondContact O-N 3.1Å; D11-Y13 PolarHBondContact O-N 3.49Å; D11-C14 PolarHBondContact O-N 2.94Å; D11-Q15 PolarHBondContact O-N 2.95Å; D11-R27 IonicContact OD1-CZ 3.91Å; D11-R27 IonicContact OD1-NH1 3.57Å; D11-R27 IonicContact OD1-NH2 2.84Å; D11-R27 PolarHBondContact OD1-NH2 3.35Å
12A92.1Very high88.6Confident26 Ų2662.9 Ų62.922%0.21533%0.33CS..Hα-helixtrans-63.9-39.6173.700000112.6K8 Y9 C14 Q15 F16 L188 E191K8-A12 PolarHBondContact O-N 3.37Å; K8-A12 VanDerWaalsContact O-N 3.14Å; Y9-A12 PolarHBondContact O-N 3.09Å; A12-C14 VanDerWaalsContact C-N 3.35Å; A12-C14 PolarHBondContact O-N 2.73Å; A12-Q15 PolarHBondContact O-N 2.76Å; A12-F16 WeakPolarHBondContact O-CB 3.46Å; A12-F16 PolarHBondContact O-N 2.67Å; A12-L188 HydrophobicContact CB-CD2 3.83Å; A12-E191 HydrophobicContact CB-CB 3.99Å; A12-E191 HydrophobicContact CB-CG 3.69Å
13Y94.2Very high88.5Confident13 Ų1361.4 Ų61.45%0.05133%0.333CS..Hα-helixtrans-62.8-40.8175.7177.4-101000111.9Y9 W10 D11 Q15 F16 A17 P25 S148 H150Y9-Y13 HydrophobicContact CE1-CD2 4.44Å; Y9-Y13 HydrophobicContact CE1-CG 4.35Å; Y9-Y13 WeakPolarHBondContact O-CB 3.35Å; Y9-Y13 PolarHBondContact O-N 2.96Å; W10-Y13 AromaticContact CE3-CD1 3.97Å; W10-Y13 HydrophobicContact CE3-CD1 3.97Å; W10-Y13 HydrophobicContact CE3-CG 4.4Å; W10-Y13 HydrophobicContact CZ3-CD1 4.02Å; W10-Y13 HydrophobicContact CZ3-CE1 4.37Å; W10-Y13 PolarHBondContact O-N 3.29Å; D11-Y13 PolarHBondContact O-N 3.49Å; Y13-Q15 VanDerWaalsContact C-N 3.29Å; Y13-Q15 PolarHBondContact O-N 3.42Å; Y13-F16 HydrophobicContact CD2-CD1 4.03Å; Y13-F16 HydrophobicContact CE2-CD1 4.11Å; Y13-F16 HydrophobicContact CE2-CE1 4.36Å; Y13-F16 PolarHBondContact O-N 2.94Å; Y13-A17 HydrophobicContact CE1-CB 4.42Å; Y13-A17 WeakPolarHBondContact O-CB 3.31Å; Y13-A17 PolarHBondContact O-N 3.25Å; Y13-P25 HydrophobicContact CD1-CB 4.2Å; Y13-P25 HydrophobicContact CE1-CB 3.73Å; Y13-S148 PolarHBondContact OH-O 2.89Å; Y13-H150 AromaticContact CD2-CE1 3.88Å; Y13-H150 AromaticContact CE1-CE1 3.62Å; Y13-H150 AromaticContact CE2-CE1 3.45Å; Y13-H150 VanDerWaalsContact CE2-CE1 3.45Å; Y13-H150 WeakPolarHBondContact CE2-CE1 3.37Å; Y13-H150 AromaticContact CE2-ND1 3.87Å; Y13-H150 AromaticContact CZ-CE1 3.31Å; Y13-H150 AromaticContact CZ-NE2 3.97Å
14C92.1Very high88.3Confident22 Ų2265.4 Ų65.415%0.14936%0.362CS..Hα-helixtrans-61.5-39.1175.7-75.60000111.6W10 D11 A12 K18 P25W10-C14 WeakPolarHBondContact O-CB 3.08Å; W10-C14 PolarHBondContact O-N 2.66Å; W10-C14 PolarHBondContact O-SG 3.15Å; D11-C14 PolarHBondContact O-N 2.94Å; A12-C14 VanDerWaalsContact C-N 3.35Å; A12-C14 PolarHBondContact O-N 2.73Å; C14-K18 VanDerWaalsContact O-CG 3.28Å; C14-K18 WeakPolarHBondContact O-CG 3.42Å; C14-K18 PolarHBondContact O-N 2.91Å; C14-K18 VanDerWaalsContact O-N 3.16Å; C14-P25 HydrophobicContact CB-CG 4.3Å
15Q91Very high88.3Confident99 Ų9960.9 Ų60.946%0.46334%0.335SS..Hα-helixtrans-67.8-50.8175.2-17356.844.600111.4D11 A12 Y13 A17 K18 D19D11-Q15 PolarHBondContact O-N 2.95Å; A12-Q15 PolarHBondContact O-N 2.76Å; Y13-Q15 VanDerWaalsContact C-N 3.29Å; Y13-Q15 PolarHBondContact O-N 3.42Å; Q15-A17 VanDerWaalsContact C-N 3.28Å; Q15-A17 PolarHBondContact O-N 3.32Å; Q15-K18 WeakPolarHBondContact O-CB 3.43Å; Q15-K18 PolarHBondContact O-N 2.85Å; Q15-D19 PolarHBondContact NE2-OD1 3.14Å; Q15-D19 VanDerWaalsContact O-CG 3.26Å; Q15-D19 PolarHBondContact O-N 3.38Å
16F94.2Very high88.1Confident6 Ų667.3 Ų67.33%0.02636%0.358CS..Hα-helixtrans-51.6-46.4175165.6-104.1000112.5A12 Y13 K18 D19 L20 N144 A147 S148 H184 V185 L188A12-F16 WeakPolarHBondContact O-CB 3.46Å; A12-F16 PolarHBondContact O-N 2.67Å; Y13-F16 HydrophobicContact CD2-CD1 4.03Å; Y13-F16 HydrophobicContact CE2-CD1 4.11Å; Y13-F16 HydrophobicContact CE2-CE1 4.36Å; Y13-F16 PolarHBondContact O-N 2.94Å; F16-K18 PolarHBondContact O-N 3.39Å; F16-D19 PolarHBondContact O-N 3.39Å; F16-L20 HydrophobicContact CD1-CD1 4.29Å; F16-L20 HydrophobicContact CD2-CD1 4.39Å; F16-L20 HydrophobicContact CE1-CD1 3.62Å; F16-L20 HydrophobicContact CE2-CD1 3.76Å; F16-L20 HydrophobicContact CE2-CG 4.23Å; F16-L20 HydrophobicContact CZ-CD1 3.35Å; F16-L20 HydrophobicContact CZ-CG 4.28Å; F16-L20 WeakPolarHBondContact O-CG 3.27Å; F16-L20 PolarHBondContact O-N 2.93Å; F16-L20 VanDerWaalsContact O-N 3.13Å; F16-N144 HydrophobicContact CE2-CB 4.5Å; F16-N144 HydrophobicContact CZ-CB 4.25Å; F16-A147 HydrophobicContact CE1-CB 4.07Å; F16-A147 HydrophobicContact CZ-CB 3.73Å; F16-S148 WeakPolarHBondContact CE1-OG 3.29Å; F16-H184 HydrophobicContact CD2-CB 3.83Å; F16-H184 HydrophobicContact CE2-CB 4.16Å; F16-V185 HydrophobicContact CE2-CG2 4.37Å; F16-L188 HydrophobicContact CB-CD1 4.05Å; F16-L188 HydrophobicContact CB-CD2 4.14Å; F16-L188 HydrophobicContact CB-CG 4.31Å; F16-L188 HydrophobicContact CD1-CD1 3.67Å; F16-L188 HydrophobicContact CD2-CD1 3.99Å; F16-L188 HydrophobicContact CE1-CD1 4.01Å; F16-L188 HydrophobicContact CE2-CD1 4.3Å; F16-L188 HydrophobicContact CG-CD1 3.63Å; F16-L188 HydrophobicContact CG-CG 4.37Å; F16-L188 HydrophobicContact CZ-CD1 4.28Å
17A93Very high87.9Confident0 Ų071.6 Ų71.60%037%0.369CS..Hα-helixtrans-64.3-39.9-179.900000111.9Y13 Q15 D19 L20 G21 I22 P25Y13-A17 HydrophobicContact CE1-CB 4.42Å; Y13-A17 WeakPolarHBondContact O-CB 3.31Å; Y13-A17 PolarHBondContact O-N 3.25Å; Q15-A17 VanDerWaalsContact C-N 3.28Å; Q15-A17 PolarHBondContact O-N 3.32Å; A17-D19 VanDerWaalsContact C-N 3.35Å; A17-L20 PolarHBondContact O-N 3.08Å; A17-G21 PolarHBondContact O-N 2.83Å; A17-I22 HydrophobicContact CB-CB 4Å; A17-I22 HydrophobicContact CB-CD1 4.15Å; A17-I22 HydrophobicContact CB-CG2 4.39Å; A17-I22 WeakPolarHBondContact O-CA 3.42Å; A17-I22 VanDerWaalsContact O-CB 3.24Å; A17-I22 WeakPolarHBondContact O-CB 3.31Å; A17-I22 PolarHBondContact O-N 2.97Å; A17-P25 HydrophobicContact CB-CB 3.67Å; A17-P25 HydrophobicContact CB-CG 4.04Å
18K90.2Very high87.6Confident130 Ų13071.3 Ų71.357%0.56536%0.359SS*.Hα-helixtrans-62.5-42.4174.1-73.7170.8-176.8178.70111.6C14 Q15 F16 L20 G21C14-K18 VanDerWaalsContact O-CG 3.28Å; C14-K18 WeakPolarHBondContact O-CG 3.42Å; C14-K18 PolarHBondContact O-N 2.91Å; C14-K18 VanDerWaalsContact O-N 3.16Å; Q15-K18 WeakPolarHBondContact O-CB 3.43Å; Q15-K18 PolarHBondContact O-N 2.85Å; F16-K18 PolarHBondContact O-N 3.39Å; K18-L20 PolarHBondContact O-N 3.48Å; K18-G21 PolarHBondContact O-N 3.24Å
19D89.8Confident86.8Confident87 Ų8773.9 Ų73.947%0.46537%0.373SS..Hα-helixtrans-62.7-27.9178.5-60.3-18000111.7Q15 F16 A17 G21 H184Q15-D19 PolarHBondContact NE2-OD1 3.14Å; Q15-D19 VanDerWaalsContact O-CG 3.26Å; Q15-D19 PolarHBondContact O-N 3.38Å; F16-D19 PolarHBondContact O-N 3.39Å; A17-D19 VanDerWaalsContact C-N 3.35Å; D19-G21 VanDerWaalsContact C-N 3.34Å; D19-H184 IonicContact OD2-CE1 3.64Å; D19-H184 IonicContact OD2-ND1 3.8Å
20L89.7Confident86.1Confident71 Ų7176 Ų7637%0.37239%0.386SS..THydrogen-bonded Turntrans-85.52172.4-62.3-175.8000114.5F16 A17 K18 I22 N144 S148F16-L20 HydrophobicContact CD1-CD1 4.29Å; F16-L20 HydrophobicContact CD2-CD1 4.39Å; F16-L20 HydrophobicContact CE1-CD1 3.62Å; F16-L20 HydrophobicContact CE2-CD1 3.76Å; F16-L20 HydrophobicContact CE2-CG 4.23Å; F16-L20 HydrophobicContact CZ-CD1 3.35Å; F16-L20 HydrophobicContact CZ-CG 4.28Å; F16-L20 WeakPolarHBondContact O-CG 3.27Å; F16-L20 PolarHBondContact O-N 2.93Å; F16-L20 VanDerWaalsContact O-N 3.13Å; A17-L20 PolarHBondContact O-N 3.08Å; K18-L20 PolarHBondContact O-N 3.48Å; L20-I22 HydrophobicContact CB-CD1 4.34Å; L20-I22 HydrophobicContact CB-CG1 4.26Å; L20-N144 HydrophobicContact CD1-CB 3.97Å; L20-N144 HydrophobicContact CD2-CB 4.13Å; L20-S148 WeakPolarHBondContact CD1-OG 3.18Å
21G88.9Confident85.8Confident59 Ų5975.4 Ų75.461%0.60839%0.385SS*.THydrogen-bonded Turntrans78.114.1-177.200000114.9A17 K18 D19 Q23A17-G21 PolarHBondContact O-N 2.83Å; K18-G21 PolarHBondContact O-N 3.24Å; D19-G21 VanDerWaalsContact C-N 3.34Å; G21-Q23 PolarHBondContact O-N 3.39Å
22I85.9Confident85.3Confident60 Ų6071.5 Ų71.531%0.30837%0.365SS..  trans-79.3105175.7-54.8172.7000108.8A17 L20 S24A17-I22 HydrophobicContact CB-CB 4Å; A17-I22 HydrophobicContact CB-CD1 4.15Å; A17-I22 HydrophobicContact CB-CG2 4.39Å; A17-I22 WeakPolarHBondContact O-CA 3.42Å; A17-I22 VanDerWaalsContact O-CB 3.24Å; A17-I22 WeakPolarHBondContact O-CB 3.31Å; A17-I22 PolarHBondContact O-N 2.97Å; L20-I22 HydrophobicContact CB-CD1 4.34Å; L20-I22 HydrophobicContact CB-CG1 4.26Å; I22-S24 PolarHBondContact O-N 2.81Å
23Q77.8Confident84.3Confident186 Ų18674.7 Ų74.787%0.86938%0.378SS*.SBendtrans-69.6-24.1-171.4-66.1-173.6-10.200115.3G21G21-Q23 PolarHBondContact O-N 3.39Å
24S79.7Confident82.9Confident99 Ų9977.8 Ų77.869%0.69239%0.393SS*.SBendtrans-143.874.4-176.2-65.30000111I22 R26I22-S24 PolarHBondContact O-N 2.81Å; S24-R26 PolarHBondContact O-N 3.41Å
25P81.7Confident82.4Confident30 Ų3082.2 Ų82.220%0.19541%0.41CS..PPolyproline II helixtrans-60.9124.1175.724-31.2000109.7Y13 C14 A17Y13-P25 HydrophobicContact CD1-CB 4.2Å; Y13-P25 HydrophobicContact CE1-CB 3.73Å; C14-P25 HydrophobicContact CB-CG 4.3Å; A17-P25 HydrophobicContact CB-CB 3.67Å; A17-P25 HydrophobicContact CB-CG 4.04Å
26R77.8Confident82.1Confident147 Ų14778.4 Ų78.456%0.55539%0.393SS*.PPolyproline II helixtrans-84.2132.7175.1-66.9-173.3-178.5169.44.8109.6S24 F28S24-R26 PolarHBondContact O-N 3.41Å; R26-F28 HydrophobicContact CB-CE1 4.47Å; R26-F28 HydrophobicContact CB-CE2 4.14Å; R26-F28 HydrophobicContact CB-CZ 3.96Å
27R81.1Confident81.7Confident134 Ų13480.7 Ų80.751%0.50641%0.409SS..PPolyproline II helixtrans-85132.8166.2-63.1-179.1179.9-164.4-9.6108W10 D11W10-R27 HydrophobicContact CB-CG 4.37Å; W10-R27 HydrophobicContact CD2-CB 4.27Å; W10-R27 HydrophobicContact CD2-CG 4.12Å; W10-R27 HydrophobicContact CE3-CB 4.21Å; W10-R27 HydrophobicContact CE3-CG 3.96Å; W10-R27 HydrophobicContact CG-CG 4.31Å; D11-R27 IonicContact OD1-CZ 3.91Å; D11-R27 IonicContact OD1-NH1 3.57Å; D11-R27 IonicContact OD1-NH2 2.84Å; D11-R27 PolarHBondContact OD1-NH2 3.35Å
28F78.9Confident81.4Confident95 Ų9589.7 Ų89.742%0.41745%0.448SS..  trans-109.2137.8175.6-60.5-82.2000108.5W10 R26 V30 V31 H150W10-F28 HydrophobicContact CH2-CB 4.13Å; W10-F28 HydrophobicContact CH2-CD2 4.12Å; W10-F28 HydrophobicContact CZ2-CB 4.42Å; W10-F28 WeakPolarHBondContact CZ2-O 3.49Å; R26-F28 HydrophobicContact CB-CE1 4.47Å; R26-F28 HydrophobicContact CB-CE2 4.14Å; R26-F28 HydrophobicContact CB-CZ 3.96Å; F28-V30 PolarHBondContact O-N 3.3Å; F28-V31 HydrophobicContact CB-CG2 4.36Å; F28-H150 AromaticContact CD2-CD2 3.96Å; F28-H150 AromaticContact CD2-NE2 3.51Å; F28-H150 AromaticContact CE2-NE2 3.57Å
29E72.1Confident81.3Confident181 Ų18188.7 Ų88.785%0.84645%0.446SS*.SBendtrans-63-33.5174-67.2178.8173.800111.4
30V77.5Confident81.2Confident44 Ų4486.5 Ų86.527%0.26743%0.434SS..  trans-140.1138.5-177.1-176.70000110.1R2 I3 F28R2-V30 HydrophobicContact CB-CG1 3.6Å; R2-V30 HydrophobicContact CG-CG1 3.83Å; I3-V30 WeakPolarHBondContact O-CA 3.3Å; F28-V30 PolarHBondContact O-N 3.3Å
31V84.4Confident81.3Confident9 Ų985 Ų856%0.05543%0.426CS..BIsolated β-bridgetrans-112.3154.6169.9171.10000110.2I3 I5 W10 F28 H150 P153 I154I3-V31 PolarHBondContact N-O 3.18Å; I3-V31 PolarHBondContact O-N 2.97Å; I3-V31 VanDerWaalsContact O-N 3.12Å; I5-V31 HydrophobicContact CD1-CB 3.67Å; I5-V31 HydrophobicContact CD1-CG1 4.43Å; I5-V31 HydrophobicContact CD1-CG2 3.25Å; I5-V31 HydrophobicContact CG1-CB 4.42Å; I5-V31 HydrophobicContact CG1-CG2 4.32Å; W10-V31 HydrophobicContact CH2-CG2 4.32Å; F28-V31 HydrophobicContact CB-CG2 4.36Å; V31-H150 HydrophobicContact CB-CB 4.44Å; V31-H150 HydrophobicContact CG1-CB 3.58Å; V31-H150 HydrophobicContact CG2-CB 4Å; V31-P153 HydrophobicContact CG1-CG 4.35Å; V31-I154 HydrophobicContact CG1-CD1 3.82Å; V31-I154 HydrophobicContact CG1-CG1 3.71Å
32G79Confident81.5Confident4 Ų485 Ų854%0.04142%0.421CS..  trans105.321.7177.200000115.5M1 C118M1-G32 CarbonylContact O-C 3.58Å; M1-G32 VanDerWaalsContact O-C 3.26Å; G32-C118 VanDerWaalsContact CA-SG 3.58Å; G32-C118 WeakPolarHBondContact O-CB 3.03Å
33N71.1Confident81.8Confident93 Ų9384.6 Ų84.650%0.49743%0.426SS..  trans-63.8137.4-179.4-68.7-34.5000112.5K35N33-K35 PolarHBondContact O-N 3.07Å
34E65.5Low82.5Confident78 Ų7875.9 Ų75.936%0.36439%0.385SS..SBendtrans-77.4-0.3179.1-71.6163.8-151.500113.6M1M1-E34 PolarHBondContact N-OE1 2.85Å; M1-E34 VanDerWaalsContact N-OE1 3.1Å
35K80.7Confident83.2Confident114 Ų11474.4 Ų74.450%0.49637%0.369SS..SBendtrans-134.6144.3179.4-65.8-170.1177.9-170.80111N33N33-K35 PolarHBondContact O-N 3.07Å
36L85.5Confident83.8Confident19 Ų1979 Ų7910%0.09939%0.388CS..  trans-69.4145.5172.7-67.3169.8000110.9N40 I41 L44 L69 A72 K111 L112 P115L36-N40 HydrophobicContact CB-CB 4.41Å; L36-N40 HydrophobicContact CD2-CB 4.31Å; L36-I41 HydrophobicContact CB-CD1 4.08Å; L36-I41 HydrophobicContact CB-CG1 3.64Å; L36-I41 HydrophobicContact CD1-CG1 4.25Å; L36-L44 HydrophobicContact CD1-CD1 4.02Å; L36-L69 HydrophobicContact CD1-CD1 3.49Å; L36-L69 VanDerWaalsContact CD1-CD1 3.49Å; L36-A72 HydrophobicContact CD1-CB 3.97Å; L36-A72 HydrophobicContact CG-CB 4.41Å; L36-K111 WeakPolarHBondContact CD2-O 3.26Å; L36-L112 HydrophobicContact CD1-CD1 4.27Å; L36-P115 HydrophobicContact CD2-CG 3.69Å; L36-P115 HydrophobicContact CG-CG 3.66Å
37S85.1Confident84.5Confident54 Ų5472.9 Ų72.938%0.37837%0.369SS..  trans-67.9153.1169.572.80000110.6Q39 N40 I41S37-Q39 PolarHBondContact O-N 2.85Å; S37-N40 PolarHBondContact O-N 3.25Å; S37-N40 WeakPolarHBondContact OG-CB 3.36Å; S37-N40 VanDerWaalsContact OG-CG 3.22Å; S37-N40 PolarHBondContact OG-N 3.18Å; S37-N40 VanDerWaalsContact OG-N 3.11Å; S37-N40 PolarHBondContact OG-ND2 3.38Å; S37-I41 WeakPolarHBondContact O-CG1 3.36Å; S37-I41 PolarHBondContact O-N 3.28Å
38K87.2Confident85.1Confident189 Ų18967.8 Ų67.882%0.82235%0.352SS*.Hα-helixtrans-53.7-37.6174.6-67.6-175.3178.8-178.50112.2I41 A42K38-I41 PolarHBondContact O-N 3.37Å; K38-A42 WeakPolarHBondContact O-CB 3.43Å; K38-A42 PolarHBondContact O-N 2.92Å
39Q87.8Confident85.6Confident110 Ų11066.7 Ų66.751%0.51436%0.36SS..Hα-helixtrans-65.7-42.7177-173.3179.9-0.100112.2S37 I41 A42 A43S37-Q39 PolarHBondContact O-N 2.85Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-A42 PolarHBondContact O-N 3.03Å; Q39-A43 WeakPolarHBondContact O-CB 3.28Å; Q39-A43 PolarHBondContact O-N 3.14Å
40N88.3Confident86.3Confident40 Ų4063.6 Ų63.621%0.21434%0.344CS..Hα-helixtrans-65.3-40.8176.5-72.2-12.1000111.1L36 S37 A43 L44L36-N40 HydrophobicContact CB-CB 4.41Å; L36-N40 HydrophobicContact CD2-CB 4.31Å; S37-N40 PolarHBondContact O-N 3.25Å; S37-N40 WeakPolarHBondContact OG-CB 3.36Å; S37-N40 VanDerWaalsContact OG-CG 3.22Å; S37-N40 PolarHBondContact OG-N 3.18Å; S37-N40 VanDerWaalsContact OG-N 3.11Å; S37-N40 PolarHBondContact OG-ND2 3.38Å; N40-A43 PolarHBondContact O-N 3.26Å; N40-L44 WeakPolarHBondContact O-CB 3.3Å; N40-L44 WeakPolarHBondContact O-CD1 3.29Å; N40-L44 VanDerWaalsContact O-CG 3.3Å; N40-L44 WeakPolarHBondContact O-CG 3.46Å; N40-L44 PolarHBondContact O-N 3.21Å
41I91.5Very high86.1Confident41 Ų4170.4 Ų70.421%0.2137%0.373CS..Hα-helixtrans-62.3-47176.9-65.2168.6000110.7L36 S37 K38 Q39 L44 N45 L69L36-I41 HydrophobicContact CB-CD1 4.08Å; L36-I41 HydrophobicContact CB-CG1 3.64Å; L36-I41 HydrophobicContact CD1-CG1 4.25Å; S37-I41 WeakPolarHBondContact O-CG1 3.36Å; S37-I41 PolarHBondContact O-N 3.28Å; K38-I41 PolarHBondContact O-N 3.37Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; I41-L44 PolarHBondContact O-N 3.07Å; I41-N45 WeakPolarHBondContact CG2-ND2 3.23Å; I41-N45 WeakPolarHBondContact O-CB 3.37Å; I41-N45 PolarHBondContact O-N 3.46Å; I41-N45 PolarHBondContact O-ND2 2.95Å; I41-N45 VanDerWaalsContact O-ND2 3.12Å; I41-L69 HydrophobicContact CG1-CD1 4.26Å; I41-L69 HydrophobicContact CG2-CD1 4.46Å
42A92.7Very high85.6Confident59 Ų5974.8 Ų74.849%0.48840%0.396SS..Hα-helixtrans-60.6-48.2178.300000111.7K38 Q39 L44 N45 E46K38-A42 WeakPolarHBondContact O-CB 3.43Å; K38-A42 PolarHBondContact O-N 2.92Å; Q39-A42 PolarHBondContact O-N 3.03Å; A42-L44 PolarHBondContact O-N 3.06Å; A42-N45 PolarHBondContact O-N 2.85Å; A42-E46 PolarHBondContact O-N 2.95Å
43A91.8Very high85.7Confident50 Ų5084.3 Ų84.341%0.41344%0.439SS..Hα-helixtrans-62.8-41.6179.300000112.7Q39 N40 E46 A47Q39-A43 WeakPolarHBondContact O-CB 3.28Å; Q39-A43 PolarHBondContact O-N 3.14Å; N40-A43 PolarHBondContact O-N 3.26Å; A43-E46 PolarHBondContact O-N 3.12Å; A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 2.89Å
44L93.5Very high86.2Confident4 Ų482.1 Ų82.12%0.02142%0.424CS..Hα-helixtrans-65-43.5176.5-77.5162.3000111.6L36 N40 I41 A42 A47 L48 M65 L69 I107 L112L36-L44 HydrophobicContact CD1-CD1 4.02Å; N40-L44 WeakPolarHBondContact O-CB 3.3Å; N40-L44 WeakPolarHBondContact O-CD1 3.29Å; N40-L44 VanDerWaalsContact O-CG 3.3Å; N40-L44 WeakPolarHBondContact O-CG 3.46Å; N40-L44 PolarHBondContact O-N 3.21Å; I41-L44 PolarHBondContact O-N 3.07Å; A42-L44 PolarHBondContact O-N 3.06Å; L44-A47 PolarHBondContact O-N 3.37Å; L44-L48 VanDerWaalsContact O-CB 3.3Å; L44-L48 WeakPolarHBondContact O-CB 3.46Å; L44-L48 WeakPolarHBondContact O-CD1 3.16Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.19Å; L44-M65 HydrophobicContact CD2-CE 4.34Å; L44-L69 HydrophobicContact CB-CD1 4.29Å; L44-L69 HydrophobicContact CB-CD2 3.79Å; L44-L69 HydrophobicContact CD1-CD1 3.91Å; L44-I107 HydrophobicContact CD2-CG2 4.25Å; L44-I107 VanDerWaalsContact CD2-O 3.32Å; L44-I107 WeakPolarHBondContact CD2-O 3.31Å; L44-L112 HydrophobicContact CD1-CB 4.27Å; L44-L112 HydrophobicContact CD2-CB 4.46Å
45N93.9Very high87.2Confident67 Ų6781.6 Ų81.636%0.35843%0.427SS..Hα-helixtrans-61.7-43.7176.4-82.2-44.3000112I41 A42 L48 A49 L69I41-N45 WeakPolarHBondContact CG2-ND2 3.23Å; I41-N45 WeakPolarHBondContact O-CB 3.37Å; I41-N45 PolarHBondContact O-N 3.46Å; I41-N45 PolarHBondContact O-ND2 2.95Å; I41-N45 VanDerWaalsContact O-ND2 3.12Å; A42-N45 PolarHBondContact O-N 2.85Å; N45-L48 PolarHBondContact O-N 3.46Å; N45-A49 VanDerWaalsContact O-CB 3.32Å; N45-A49 WeakPolarHBondContact O-CB 3Å; N45-A49 PolarHBondContact O-N 3.2Å; N45-L69 VanDerWaalsContact OD1-CD2 3.31Å; N45-L69 WeakPolarHBondContact OD1-CD2 3.3Å
46E94.1Very high87.7Confident127 Ų12781.8 Ų81.859%0.59343%0.433SS*.Hα-helixtrans-61.4-47.4176.5-171.3-169.1152.100111.2A42 A43 L48 A49 K50A42-E46 PolarHBondContact O-N 2.95Å; A43-E46 PolarHBondContact O-N 3.12Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 3.5Å; E46-A49 PolarHBondContact O-N 3.45Å; E46-K50 PolarHBondContact O-N 2.9Å
47A93.1Very high88Confident18 Ų1885.8 Ų85.815%0.14945%0.451CS..Hα-helixtrans-63.3-39179.200000112.7A43 L44 A49 R62 I107A43-A47 WeakPolarHBondContact O-CB 3.39Å; A43-A47 PolarHBondContact O-N 2.89Å; L44-A47 PolarHBondContact O-N 3.37Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-R62 PolarHBondContact O-NH1 3.13Å; A47-R62 PolarHBondContact O-NH2 3.27Å; A47-I107 HydrophobicContact CB-CB 4.49Å; A47-I107 HydrophobicContact CB-CG2 4Å
48L92.4Very high88.5Confident27 Ų2783.4 Ų83.414%0.14144%0.435CS..Hα-helixtrans-73-23.1177.9-72.1168.5000113.2L44 N45 E46 R62 M65 K66 L69 I107L44-L48 VanDerWaalsContact O-CB 3.3Å; L44-L48 WeakPolarHBondContact O-CB 3.46Å; L44-L48 WeakPolarHBondContact O-CD1 3.16Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.19Å; N45-L48 PolarHBondContact O-N 3.46Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 3.5Å; L48-R62 HydrophobicContact CD2-CB 4.13Å; L48-R62 HydrophobicContact CD2-CG 4.18Å; L48-R62 PolarHBondContact O-NH1 2.9Å; L48-M65 HydrophobicContact CD1-CB 4.37Å; L48-M65 HydrophobicContact CD2-CB 3.94Å; L48-M65 HydrophobicContact CD2-SD 4.43Å; L48-K66 HydrophobicContact CD1-CB 4.21Å; L48-L69 HydrophobicContact CD1-CD2 4.11Å; L48-I107 HydrophobicContact CD2-CD1 4.27Å; L48-I107 HydrophobicContact CD2-CG2 3.84Å; L48-I107 HydrophobicContact CG-CG2 3.91Å
49A89.9Confident88.8Confident72 Ų7279.5 Ų79.560%0.59542%0.418SS*.Hα-helixtrans-82.1-16177.700000114N45 E46 A47 E51N45-A49 VanDerWaalsContact O-CB 3.32Å; N45-A49 WeakPolarHBondContact O-CB 3Å; N45-A49 PolarHBondContact O-N 3.2Å; E46-A49 PolarHBondContact O-N 3.45Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A49-E51 PolarHBondContact O-N 3.37Å
50K87.1Confident89.1Confident117 Ų11776.5 Ų76.551%0.50941%0.405SS..  trans-64.3116.6176.4-68179-176.3-179.30110.2E46 R62E46-K50 PolarHBondContact O-N 2.9Å; K50-R62 PolarHBondContact O-NH1 3.02Å
51E73.8Confident89.5Confident186 Ų18674.6 Ų74.687%0.86940%0.395SS*.  trans-83.3126.6172.9-65.8-173.8169.700109.6A49A49-E51 PolarHBondContact O-N 3.37Å
52N73.6Confident89.7Confident101 Ų10173.8 Ų73.854%0.5439%0.389SS..  trans-143.1167.2168.4-62.3-67.5000109.1Y54N52-Y54 HydrophobicContact CB-CD1 4.47Å; N52-Y54 HydrophobicContact CB-CD2 4.19Å; N52-Y54 HydrophobicContact CB-CE1 3.97Å; N52-Y54 HydrophobicContact CB-CE2 3.63Å; N52-Y54 PolarHBondContact ND2-OH 3.47Å; N52-Y54 WeakPolarHBondContact O-CD2 3.07Å; N52-Y54 PolarHBondContact O-N 2.91Å; N52-Y54 VanDerWaalsContact O-N 3.11Å
53E80.2Confident89.9Confident205 Ų20575.9 Ų75.996%0.95838%0.384SS*.  trans-72.2103.5172.5-149.2170.1-156.600109.1
54Y81.6Confident90.2Very high46 Ų4673.5 Ų73.518%0.1837%0.365CS..  trans-115.8150.9-173.9-70.6-57.4000111.2N52 T58 K59 R62 E103N52-Y54 HydrophobicContact CB-CD1 4.47Å; N52-Y54 HydrophobicContact CB-CD2 4.19Å; N52-Y54 HydrophobicContact CB-CE1 3.97Å; N52-Y54 HydrophobicContact CB-CE2 3.63Å; N52-Y54 PolarHBondContact ND2-OH 3.47Å; N52-Y54 WeakPolarHBondContact O-CD2 3.07Å; N52-Y54 PolarHBondContact O-N 2.91Å; N52-Y54 VanDerWaalsContact O-N 3.11Å; Y54-T58 HydrophobicContact CD1-CG2 3.49Å; Y54-T58 VanDerWaalsContact CD1-CG2 3.49Å; Y54-T58 HydrophobicContact CE1-CG2 4.07Å; Y54-T58 HydrophobicContact CG-CG2 3.85Å; Y54-K59 VanDerWaalsContact O-CE 3.22Å; Y54-K59 WeakPolarHBondContact O-CE 3.25Å; Y54-K59 PolarHBondContact O-NZ 3.08Å; Y54-R62 PolarHBondContact OH-NE 2.97Å; Y54-R62 PolarHBondContact OH-NH2 3.19Å; Y54-E103 PolarHBondContact OH-OE1 3.35Å
55T87.8Confident90.3Very high68 Ų6873.3 Ų73.342%0.41736%0.364SS..  trans-62.6157.7165.280.40000110.3E57 T58 K59T55-E57 VanDerWaalsContact C-N 3.26Å; T55-E57 WeakPolarHBondContact CB-OE2 3.46Å; T55-E57 PolarHBondContact O-N 3.01Å; T55-E57 PolarHBondContact OG1-OE2 3.19Å; T55-T58 WeakPolarHBondContact O-CB 3.2Å; T55-T58 PolarHBondContact O-N 3.08Å; T55-T58 VanDerWaalsContact O-N 3.09Å; T55-T58 PolarHBondContact OG1-N 2.84Å; T55-T58 PolarHBondContact OG1-OG1 3.35Å; T55-T58 VanDerWaalsContact OG1-OG1 3.04Å; T55-K59 PolarHBondContact O-N 2.99Å
56D90.2Very high90.4Very high117 Ų11775.8 Ų75.863%0.62637%0.372SS*.Hα-helixtrans-65.4-31.4-178.9-69.3-23.5000112.3T58 K59 N60D56-T58 VanDerWaalsContact C-N 3.34Å; D56-T58 PolarHBondContact O-N 2.87Å; D56-K59 PolarHBondContact O-N 3.48Å; D56-K59 IonicContact OD1-NZ 3.14Å; D56-K59 PolarHBondContact OD1-NZ 3.32Å; D56-K59 VanDerWaalsContact OD1-NZ 3.14Å; D56-N60 WeakPolarHBondContact O-CB 3.29Å; D56-N60 PolarHBondContact O-N 3.43Å
57E93.3Very high90.5Very high104 Ų10471.9 Ų71.949%0.48635%0.353SS..Hα-helixtrans-64.7-40172.7-54.481.2-178.900111.3T55 N60 M61 V94 V100T55-E57 VanDerWaalsContact C-N 3.26Å; T55-E57 WeakPolarHBondContact CB-OE2 3.46Å; T55-E57 PolarHBondContact O-N 3.01Å; T55-E57 PolarHBondContact OG1-OE2 3.19Å; E57-N60 PolarHBondContact O-N 3.47Å; E57-M61 VanDerWaalsContact O-CB 3.29Å; E57-M61 WeakPolarHBondContact O-CB 3.31Å; E57-M61 PolarHBondContact O-N 3.28Å; E57-V94 HydrophobicContact CB-CG1 4.45Å; E57-V94 VanDerWaalsContact O-CG1 3.31Å; E57-V94 WeakPolarHBondContact O-CG1 3.3Å; E57-V100 HydrophobicContact CB-CG2 3.79Å
58T93.8Very high90.6Very high4 Ų471 Ų713%0.02535%0.346CS..Hα-helixtrans-68.6-39.8178.8-580000111.2Y54 T55 D56 N60 M61 R62 E103Y54-T58 HydrophobicContact CD1-CG2 3.49Å; Y54-T58 VanDerWaalsContact CD1-CG2 3.49Å; Y54-T58 HydrophobicContact CE1-CG2 4.07Å; Y54-T58 HydrophobicContact CG-CG2 3.85Å; T55-T58 WeakPolarHBondContact O-CB 3.2Å; T55-T58 PolarHBondContact O-N 3.08Å; T55-T58 VanDerWaalsContact O-N 3.09Å; T55-T58 PolarHBondContact OG1-N 2.84Å; T55-T58 PolarHBondContact OG1-OG1 3.35Å; T55-T58 VanDerWaalsContact OG1-OG1 3.04Å; D56-T58 VanDerWaalsContact C-N 3.34Å; D56-T58 PolarHBondContact O-N 2.87Å; T58-N60 VanDerWaalsContact C-N 3.35Å; T58-M61 HydrophobicContact CG2-CE 4.27Å; T58-M61 PolarHBondContact O-N 2.98Å; T58-R62 WeakPolarHBondContact O-CB 3.48Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.35Å; T58-E103 HydrophobicContact CG2-CB 4.38Å; T58-E103 HydrophobicContact CG2-CG 3.76Å
59K93.5Very high90.7Very high107 Ų10769.8 Ų69.847%0.46534%0.34SS..Hα-helixtrans-61.8-43.7171.6-67.2174.2-168.4152.60111.2Y54 T55 D56 R62 R63Y54-K59 VanDerWaalsContact O-CE 3.22Å; Y54-K59 WeakPolarHBondContact O-CE 3.25Å; Y54-K59 PolarHBondContact O-NZ 3.08Å; T55-K59 PolarHBondContact O-N 2.99Å; D56-K59 PolarHBondContact O-N 3.48Å; D56-K59 IonicContact OD1-NZ 3.14Å; D56-K59 PolarHBondContact OD1-NZ 3.32Å; D56-K59 VanDerWaalsContact OD1-NZ 3.14Å; K59-R62 PolarHBondContact O-N 3.39Å; K59-R63 PolarHBondContact O-N 2.95Å
60N95.7Very high90.8Very high47 Ų4770.5 Ų70.525%0.25133%0.333SS..Hα-helixtrans-64.5-44.5178.9-165.728000111.6D56 E57 T58 R62 R63 L64 V94D56-N60 WeakPolarHBondContact O-CB 3.29Å; D56-N60 PolarHBondContact O-N 3.43Å; E57-N60 PolarHBondContact O-N 3.47Å; T58-N60 VanDerWaalsContact C-N 3.35Å; N60-R62 VanDerWaalsContact C-N 3.35Å; N60-R62 PolarHBondContact O-N 3.32Å; N60-R63 WeakPolarHBondContact O-CB 3.43Å; N60-R63 PolarHBondContact O-N 3.44Å; N60-R63 PolarHBondContact OD1-NE 3.13Å; N60-R63 PolarHBondContact OD1-NH2 3.46Å; N60-L64 WeakPolarHBondContact O-CG 3.32Å; N60-L64 PolarHBondContact O-N 3.46Å; N60-V94 VanDerWaalsContact ND2-CG2 3.28Å; N60-V94 WeakPolarHBondContact ND2-CG2 3.5Å
61M96.8Very high91Very high0 Ų065.2 Ų65.20%031%0.311CS..Hα-helixtrans-55.4-48.8174.1-177.8-80.9-69.100111.2E57 T58 R63 L64 M65 L91 V94 V100 E103 F104 I107E57-M61 VanDerWaalsContact O-CB 3.29Å; E57-M61 WeakPolarHBondContact O-CB 3.31Å; E57-M61 PolarHBondContact O-N 3.28Å; T58-M61 HydrophobicContact CG2-CE 4.27Å; T58-M61 PolarHBondContact O-N 2.98Å; M61-R63 PolarHBondContact O-N 2.93Å; M61-L64 PolarHBondContact O-N 3.12Å; M61-M65 HydrophobicContact CE-SD 4.48Å; M61-M65 WeakPolarHBondContact O-CG 3.28Å; M61-M65 PolarHBondContact O-N 2.88Å; M61-M65 HydrophobicContact SD-CG 3.79Å; M61-M65 HydrophobicContact SD-SD 3.24Å; M61-L91 HydrophobicContact CB-CD1 4.43Å; M61-L91 HydrophobicContact CG-CD1 3.75Å; M61-V94 HydrophobicContact CB-CG1 3.69Å; M61-V94 HydrophobicContact CG-CG1 4.5Å; M61-V100 HydrophobicContact CB-CG1 3.89Å; M61-V100 HydrophobicContact CG-CG1 3.81Å; M61-E103 HydrophobicContact CE-CB 3.88Å; M61-E103 HydrophobicContact CE-CG 3.55Å; M61-F104 HydrophobicContact CE-CB 4.31Å; M61-F104 HydrophobicContact CG-CB 4.36Å; M61-F104 HydrophobicContact SD-CB 3.96Å; M61-F104 HydrophobicContact SD-CD2 4.15Å; M61-I107 HydrophobicContact CE-CD1 3.88Å; M61-I107 HydrophobicContact SD-CD1 4.42Å
62R95.9Very high91.5Very high24 Ų2456.5 Ų56.59%0.09127%0.271CS..Hα-helixtrans-60.7-41.7177.5-76.8175.4160.7-97-11.1112.6A47 L48 K50 Y54 T58 K59 N60 M65 K66 E103 I107A47-R62 PolarHBondContact O-NH1 3.13Å; A47-R62 PolarHBondContact O-NH2 3.27Å; L48-R62 HydrophobicContact CD2-CB 4.13Å; L48-R62 HydrophobicContact CD2-CG 4.18Å; L48-R62 PolarHBondContact O-NH1 2.9Å; K50-R62 PolarHBondContact O-NH1 3.02Å; Y54-R62 PolarHBondContact OH-NE 2.97Å; Y54-R62 PolarHBondContact OH-NH2 3.19Å; T58-R62 WeakPolarHBondContact O-CB 3.48Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.35Å; K59-R62 PolarHBondContact O-N 3.39Å; N60-R62 VanDerWaalsContact C-N 3.35Å; N60-R62 PolarHBondContact O-N 3.32Å; R62-M65 PolarHBondContact O-N 3.46Å; R62-K66 PolarHBondContact O-N 3.09Å; R62-E103 IonicContact CZ-OE1 3.87Å; R62-E103 IonicContact NE-OE1 3.92Å; R62-E103 PolarHBondContact NE-OE1 3.31Å; R62-E103 IonicContact NH2-OE1 3.94Å; R62-E103 PolarHBondContact NH2-OE1 3.45Å; R62-I107 HydrophobicContact CG-CD1 3.71Å
63R95.9Very high91.7Very high102 Ų10254.5 Ų54.539%0.38527%0.265SS..Hα-helixtrans-58.2-50.7173.9179.8-170.263.289.3-6.7110.9K59 N60 M61 M65 K66 E67 E90K59-R63 PolarHBondContact O-N 2.95Å; N60-R63 WeakPolarHBondContact O-CB 3.43Å; N60-R63 PolarHBondContact O-N 3.44Å; N60-R63 PolarHBondContact OD1-NE 3.13Å; N60-R63 PolarHBondContact OD1-NH2 3.46Å; M61-R63 PolarHBondContact O-N 2.93Å; R63-M65 PolarHBondContact O-N 3.13Å; R63-K66 WeakPolarHBondContact O-CB 3.42Å; R63-K66 PolarHBondContact O-N 3.13Å; R63-K66 VanDerWaalsContact O-N 3.16Å; R63-E67 IonicContact CZ-OE1 2.67Å; R63-E67 IonicContact NH1-OE1 3.33Å; R63-E67 PolarHBondContact NH1-OE1 3.26Å; R63-E67 PolarHBondContact O-N 3.34Å; R63-E90 IonicContact CZ-OE1 2.78Å; R63-E90 IonicContact NH2-OE1 3.4Å; R63-E90 PolarHBondContact NH2-OE1 2.82Å
64L97.8Very high91.7Very high0 Ų048.7 Ų48.70%024%0.237CC..Hα-helixtrans-62.2-41.9-179.6-67.1169.6000112N60 M61 K66 E67 L68 L87 E90 L91 V94N60-L64 WeakPolarHBondContact O-CG 3.32Å; N60-L64 PolarHBondContact O-N 3.46Å; M61-L64 PolarHBondContact O-N 3.12Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 2.86Å; L64-E67 PolarHBondContact O-N 3.48Å; L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-L87 HydrophobicContact CD2-CD2 3.49Å; L64-L87 VanDerWaalsContact CD2-CD2 3.49Å; L64-E90 HydrophobicContact CD1-CB 4.16Å; L64-E90 HydrophobicContact CD1-CG 3.85Å; L64-E90 HydrophobicContact CD2-CB 4.26Å; L64-E90 HydrophobicContact CD2-CG 4.16Å; L64-L91 HydrophobicContact CB-CB 4.39Å; L64-L91 HydrophobicContact CB-CD1 4.25Å; L64-L91 HydrophobicContact CD1-CB 4.19Å; L64-L91 HydrophobicContact CD1-CD1 4.4Å; L64-V94 HydrophobicContact CD1-CB 4.46Å; L64-V94 HydrophobicContact CD1-CG2 3.91Å
65M96.9Very high91.5Very high0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-59.7-41.6173.8-74-172.778.200112.3L44 L48 M61 R62 R63 L68 L69 L91 F104 I107 L112L44-M65 HydrophobicContact CD2-CE 4.34Å; L48-M65 HydrophobicContact CD1-CB 4.37Å; L48-M65 HydrophobicContact CD2-CB 3.94Å; L48-M65 HydrophobicContact CD2-SD 4.43Å; M61-M65 HydrophobicContact CE-SD 4.48Å; M61-M65 WeakPolarHBondContact O-CG 3.28Å; M61-M65 PolarHBondContact O-N 2.88Å; M61-M65 HydrophobicContact SD-CG 3.79Å; M61-M65 HydrophobicContact SD-SD 3.24Å; R62-M65 PolarHBondContact O-N 3.46Å; R63-M65 PolarHBondContact O-N 3.13Å; M65-L68 PolarHBondContact O-N 3.37Å; M65-L69 WeakPolarHBondContact O-CB 3.46Å; M65-L69 PolarHBondContact O-N 3.5Å; M65-L91 HydrophobicContact CG-CD2 4.47Å; M65-F104 HydrophobicContact CE-CD2 3.98Å; M65-F104 HydrophobicContact CE-CE2 4.06Å; M65-F104 HydrophobicContact CG-CD2 4.02Å; M65-F104 HydrophobicContact CG-CE2 4.19Å; M65-F104 HydrophobicContact SD-CD2 3.59Å; M65-F104 VanDerWaalsContact SD-CD2 3.59Å; M65-F104 HydrophobicContact SD-CE2 4.12Å; M65-I107 HydrophobicContact CE-CB 4Å; M65-I107 HydrophobicContact CE-CG2 3.53Å; M65-I107 HydrophobicContact SD-CB 4.25Å; M65-I107 HydrophobicContact SD-CD1 4.16Å; M65-I107 HydrophobicContact SD-CG2 3.97Å; M65-L112 HydrophobicContact CB-CD2 3.96Å; M65-L112 HydrophobicContact CE-CD2 3.72Å; M65-L112 HydrophobicContact CG-CD2 3.93Å
66K95.6Very high91.2Very high120 Ų12053.6 Ų53.652%0.52226%0.258SS..Hα-helixtrans-64.2-40.8177.6-170.8174.9-177.21750111.7L48 R62 R63 L64 L69 N70L48-K66 HydrophobicContact CD1-CB 4.21Å; R62-K66 PolarHBondContact O-N 3.09Å; R63-K66 WeakPolarHBondContact O-CB 3.42Å; R63-K66 PolarHBondContact O-N 3.13Å; R63-K66 VanDerWaalsContact O-N 3.16Å; L64-K66 VanDerWaalsContact C-N 3.32Å; L64-K66 PolarHBondContact O-N 2.86Å; K66-L69 PolarHBondContact O-N 3.17Å; K66-N70 PolarHBondContact O-N 3.49Å; K66-N70 PolarHBondContact O-ND2 2.81Å
67E95.8Very high91Very high44 Ų4450.6 Ų50.621%0.20625%0.246CC..Hα-helixtrans-65.1-44.9175.2-69.5-168.9-126.100112R63 L64 L69 N70 L71 R83 L87R63-E67 IonicContact CZ-OE1 2.67Å; R63-E67 IonicContact NH1-OE1 3.33Å; R63-E67 PolarHBondContact NH1-OE1 3.26Å; R63-E67 PolarHBondContact O-N 3.34Å; L64-E67 PolarHBondContact O-N 3.48Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.44Å; E67-N70 WeakPolarHBondContact O-CB 3.14Å; E67-N70 PolarHBondContact O-N 3.15Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 3.05Å; E67-L71 VanDerWaalsContact O-N 3.15Å; E67-R83 IonicContact OE2-CZ 2.74Å; E67-R83 IonicContact OE2-NH2 2.69Å; E67-R83 PolarHBondContact OE2-NH2 3.17Å; E67-L87 HydrophobicContact CB-CD1 3.87Å; E67-L87 HydrophobicContact CB-CD2 4.18Å
68L96Very high90.5Very high0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-62.3-41175-73.2170.2000111.8L64 M65 N70 L71 A72 T84 L87 L88 L91 L112 F116L64-L68 WeakPolarHBondContact O-CG 3.34Å; L64-L68 PolarHBondContact O-N 3.48Å; M65-L68 PolarHBondContact O-N 3.37Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 3.28Å; L68-L71 PolarHBondContact O-N 3.1Å; L68-A72 PolarHBondContact O-N 3.42Å; L68-T84 HydrophobicContact CD2-CG2 4.28Å; L68-L87 HydrophobicContact CD2-CB 3.81Å; L68-L87 HydrophobicContact CD2-CD1 4.36Å; L68-L87 HydrophobicContact CG-CB 4.14Å; L68-L88 HydrophobicContact CD1-CD2 3.94Å; L68-L88 HydrophobicContact CD2-CD2 4.08Å; L68-L88 HydrophobicContact CD2-CG 4.04Å; L68-L91 HydrophobicContact CD1-CD2 3.54Å; L68-L112 HydrophobicContact CB-CD1 4.35Å; L68-L112 HydrophobicContact CB-CD2 4.29Å; L68-F116 HydrophobicContact CB-CE2 4.14Å; L68-F116 HydrophobicContact CB-CZ 4.05Å; L68-F116 HydrophobicContact CD2-CE1 4.32Å; L68-F116 HydrophobicContact CD2-CE2 4.36Å; L68-F116 HydrophobicContact CD2-CZ 3.98Å; L68-F116 WeakPolarHBondContact O-CZ 3.41Å
69L94.4Very high90.3Very high2 Ų256.2 Ų56.21%0.0129%0.287CS..Hα-helixtrans-58.1-40.9176.9178.958.7000111.9L36 I41 L44 N45 L48 M65 K66 E67 L71 A72 S73 L112L36-L69 HydrophobicContact CD1-CD1 3.49Å; L36-L69 VanDerWaalsContact CD1-CD1 3.49Å; I41-L69 HydrophobicContact CG1-CD1 4.26Å; I41-L69 HydrophobicContact CG2-CD1 4.46Å; L44-L69 HydrophobicContact CB-CD1 4.29Å; L44-L69 HydrophobicContact CB-CD2 3.79Å; L44-L69 HydrophobicContact CD1-CD1 3.91Å; N45-L69 VanDerWaalsContact OD1-CD2 3.31Å; N45-L69 WeakPolarHBondContact OD1-CD2 3.3Å; L48-L69 HydrophobicContact CD1-CD2 4.11Å; M65-L69 WeakPolarHBondContact O-CB 3.46Å; M65-L69 PolarHBondContact O-N 3.5Å; K66-L69 PolarHBondContact O-N 3.17Å; E67-L69 VanDerWaalsContact C-N 3.35Å; E67-L69 PolarHBondContact O-N 3.44Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.22Å; L69-A72 PolarHBondContact O-N 3.28Å; L69-S73 PolarHBondContact O-OG 3.26Å; L69-L112 HydrophobicContact CB-CD1 4.1Å; L69-L112 HydrophobicContact CD1-CD1 4.34Å
70N91Very high90.2Very high86 Ų8652.4 Ų52.446%0.4627%0.272SS..Hα-helixtrans-66.1-34.4175.9-68.6-25.3000112.2K66 E67 L68 Q74K66-N70 PolarHBondContact O-N 3.49Å; K66-N70 PolarHBondContact O-ND2 2.81Å; E67-N70 WeakPolarHBondContact O-CB 3.14Å; E67-N70 PolarHBondContact O-N 3.15Å; L68-N70 VanDerWaalsContact C-N 3.26Å; L68-N70 PolarHBondContact O-N 3.28Å; N70-Q74 WeakPolarHBondContact O-CG 3.2Å; N70-Q74 PolarHBondContact O-NE2 3.47Å
71L90.6Very high90.1Very high7 Ų751.1 Ų51.14%0.03727%0.266CS..Hα-helixtrans-75.6-36.1178.7-67.4170.3000112.5E67 L68 L69 S73 Q74 L80 R83 L87E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 3.05Å; E67-L71 VanDerWaalsContact O-N 3.15Å; L68-L71 PolarHBondContact O-N 3.1Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.22Å; L71-S73 PolarHBondContact O-N 3.02Å; L71-Q74 PolarHBondContact O-N 3.43Å; L71-L80 HydrophobicContact CD2-CD2 3.5Å; L71-R83 HydrophobicContact CD1-CG 4.39Å; L71-L87 HydrophobicContact CD1-CD1 3.39Å
72A86.1Confident90.1Very high3 Ų358 Ų583%0.02530%0.298CS..THydrogen-bonded Turntrans-60.4-13.517800000113.9L36 L68 L69 P115 F116L36-A72 HydrophobicContact CD1-CB 3.97Å; L36-A72 HydrophobicContact CG-CB 4.41Å; L68-A72 PolarHBondContact O-N 3.42Å; L69-A72 PolarHBondContact O-N 3.28Å; A72-P115 HydrophobicContact CB-CG 4.48Å; A72-F116 HydrophobicContact CB-CE2 4.18Å; A72-F116 HydrophobicContact CB-CZ 3.79Å
73S76Confident90.1Very high59 Ų5963.1 Ų63.141%0.41332%0.317SS..THydrogen-bonded Turntrans-100.8-6.7-179.6-56.20000113.8L69 L71L69-S73 PolarHBondContact O-OG 3.26Å; L71-S73 PolarHBondContact O-N 3.02Å
74Q80.8Confident90.1Very high83 Ų8358.2 Ų58.239%0.38830%0.298SS..SBendtrans-95.3170.1-171.9-69.6178.352.100113.3N70 L71 L80N70-Q74 WeakPolarHBondContact O-CG 3.2Å; N70-Q74 PolarHBondContact O-NE2 3.47Å; L71-Q74 PolarHBondContact O-N 3.43Å; Q74-L80 HydrophobicContact CB-CD1 4.35Å
75N78.1Confident90.1Very high131 Ų13158.8 Ų58.870%0.70130%0.302SS*.PPolyproline II helixtrans-89.4134.5170.2-65.9-25.8000109L80N75-L80 WeakPolarHBondContact O-CD1 3.24Å
76W81.9Confident90.1Very high85 Ų8565.8 Ų65.832%0.32233%0.332SS..PPolyproline II helixtrans-70.8131.7-172.4-63.994.3000113.1V81 T84 F116 Q119 V124W76-V81 HydrophobicContact CE3-CG2 4.15Å; W76-T84 HydrophobicContact CH2-CG2 4.11Å; W76-T84 HydrophobicContact CZ3-CG2 4.19Å; W76-F116 AromaticContact CH2-CD1 3.93Å; W76-F116 HydrophobicContact CH2-CD1 3.93Å; W76-F116 AromaticContact CH2-CE1 3.92Å; W76-F116 HydrophobicContact CH2-CE1 3.92Å; W76-F116 HydrophobicContact CZ2-CD1 4.45Å; W76-F116 HydrophobicContact CZ2-CE1 4.46Å; W76-Q119 HydrophobicContact CH2-CG 3.91Å; W76-Q119 HydrophobicContact CZ2-CG 3.56Å; W76-Q119 VanDerWaalsContact CZ2-NE2 3.26Å; W76-Q119 VanDerWaalsContact NE1-CD 3.33Å; W76-V124 HydrophobicContact CH2-CG1 4.21Å; W76-V124 HydrophobicContact CZ3-CG1 4.48Å; W76-V124 HydrophobicContact CZ3-CG2 4.2Å
77S84.5Confident90.3Very high54 Ų5460.4 Ų60.438%0.37831%0.309SS..  trans-127.2168.5167.171.80000109.4D79 L80 V81S77-D79 VanDerWaalsContact C-N 3.33Å; S77-D79 PolarHBondContact O-N 3.06Å; S77-L80 PolarHBondContact O-N 3.11Å; S77-L80 WeakPolarHBondContact OG-CG 3.23Å; S77-L80 PolarHBondContact OG-N 3.43Å; S77-V81 PolarHBondContact O-N 3.38Å
78S84.5Confident90.4Very high100 Ų10058.3 Ų58.370%0.69930%0.3SS*.Hα-helixtrans-57.8-44.9177.4-166.60000112L80 V81 E82S78-L80 VanDerWaalsContact C-N 3.27Å; S78-L80 PolarHBondContact O-N 2.91Å; S78-V81 WeakPolarHBondContact O-CB 3.5Å; S78-V81 PolarHBondContact O-N 2.87Å; S78-V81 VanDerWaalsContact O-N 3.13Å; S78-E82 PolarHBondContact O-N 2.83Å
79D89.1Confident90.5Very high127 Ų12763.7 Ų63.768%0.67932%0.323SS*.Hα-helixtrans-62.8-35.2178.9-56.2-36000112.2S77 R83S77-D79 VanDerWaalsContact C-N 3.33Å; S77-D79 PolarHBondContact O-N 3.06Å; D79-R83 WeakPolarHBondContact O-CB 3.39Å; D79-R83 PolarHBondContact O-N 3.49Å
80L91.5Very high90.7Very high27 Ų2766.4 Ų66.414%0.14134%0.336CS..Hα-helixtrans-71.2-33.2176.9-68172.8000112.1L71 Q74 N75 S77 S78 T84L71-L80 HydrophobicContact CD2-CD2 3.5Å; Q74-L80 HydrophobicContact CB-CD1 4.35Å; N75-L80 WeakPolarHBondContact O-CD1 3.24Å; S77-L80 PolarHBondContact O-N 3.11Å; S77-L80 WeakPolarHBondContact OG-CG 3.23Å; S77-L80 PolarHBondContact OG-N 3.43Å; S78-L80 VanDerWaalsContact C-N 3.27Å; S78-L80 PolarHBondContact O-N 2.91Å; L80-T84 WeakPolarHBondContact O-CB 3.36Å; L80-T84 PolarHBondContact O-N 3.46Å; L80-T84 PolarHBondContact O-OG1 2.98Å
81V93.8Very high91.1Very high20 Ų2062.3 Ų62.312%0.12131%0.314CS..Hα-helixtrans-61.5-54.3173.3165.70000110W76 S77 S78 R83 T84 V85 N121 V124W76-V81 HydrophobicContact CE3-CG2 4.15Å; S77-V81 PolarHBondContact O-N 3.38Å; S78-V81 WeakPolarHBondContact O-CB 3.5Å; S78-V81 PolarHBondContact O-N 2.87Å; S78-V81 VanDerWaalsContact O-N 3.13Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-R83 PolarHBondContact O-N 2.96Å; V81-T84 PolarHBondContact O-N 3.44Å; V81-T84 VanDerWaalsContact O-N 3.16Å; V81-V85 HydrophobicContact CG1-CG2 4.49Å; V81-V85 WeakPolarHBondContact O-CG2 3.17Å; V81-V85 PolarHBondContact O-N 2.64Å; V81-N121 HydrophobicContact CG2-CB 4.38Å; V81-V124 HydrophobicContact CB-CG2 4.44Å; V81-V124 HydrophobicContact CG1-CG2 4.02Å; V81-V124 HydrophobicContact CG2-CG2 4.39Å
82E95.3Very high91.4Very high144 Ų14462.6 Ų62.667%0.67332%0.316SS*.Hα-helixtrans-59-46.9-179.1-173.9-175.8166.300111.4S78 T84 V85 K86S78-E82 PolarHBondContact O-N 2.83Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.21Å; E82-V85 PolarHBondContact O-N 2.99Å; E82-K86 PolarHBondContact O-N 3.44Å
83R96Very high92Very high131 Ų13167.4 Ų67.449%0.49435%0.345SS..Hα-helixtrans-60.4-43.2177-176.2176.6178.4174.81.5112E67 L71 D79 V81 K86 L87E67-R83 IonicContact OE2-CZ 2.74Å; E67-R83 IonicContact OE2-NH2 2.69Å; E67-R83 PolarHBondContact OE2-NH2 3.17Å; L71-R83 HydrophobicContact CD1-CG 4.39Å; D79-R83 WeakPolarHBondContact O-CB 3.39Å; D79-R83 PolarHBondContact O-N 3.49Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-R83 PolarHBondContact O-N 2.96Å; R83-K86 PolarHBondContact O-N 3.37Å; R83-L87 HydrophobicContact CG-CD1 4.08Å; R83-L87 WeakPolarHBondContact O-CG 3.48Å; R83-L87 PolarHBondContact O-N 3.45Å
84T96.7Very high93Very high0 Ų065.5 Ų65.50%033%0.331CS..Hα-helixtrans-64.3-45.6179.3-610000110.9L68 W76 L80 V81 E82 K86 L87 L88 F116 V124L68-T84 HydrophobicContact CD2-CG2 4.28Å; W76-T84 HydrophobicContact CH2-CG2 4.11Å; W76-T84 HydrophobicContact CZ3-CG2 4.19Å; L80-T84 WeakPolarHBondContact O-CB 3.36Å; L80-T84 PolarHBondContact O-N 3.46Å; L80-T84 PolarHBondContact O-OG1 2.98Å; V81-T84 PolarHBondContact O-N 3.44Å; V81-T84 VanDerWaalsContact O-N 3.16Å; E82-T84 VanDerWaalsContact C-N 3.34Å; E82-T84 PolarHBondContact O-N 3.21Å; T84-K86 VanDerWaalsContact C-N 3.33Å; T84-K86 PolarHBondContact O-N 2.82Å; T84-L87 PolarHBondContact O-N 3.04Å; T84-L88 HydrophobicContact CG2-CD1 3.84Å; T84-L88 HydrophobicContact CG2-CG 4.33Å; T84-L88 WeakPolarHBondContact O-CB 3.22Å; T84-L88 WeakPolarHBondContact O-CG 3.16Å; T84-L88 PolarHBondContact O-N 2.97Å; T84-F116 HydrophobicContact CG2-CD1 3.67Å; T84-F116 HydrophobicContact CG2-CE1 3.65Å; T84-V124 HydrophobicContact CG2-CG1 3.8Å; T84-V124 HydrophobicContact CG2-CG2 4.26Å
85V97.5Very high93.8Very high12 Ų1261.6 Ų61.67%0.07331%0.312CS..Hα-helixtrans-58.9-45.7177169.40000110.6V81 E82 L87 L88 K89 E123 V124V81-V85 HydrophobicContact CG1-CG2 4.49Å; V81-V85 WeakPolarHBondContact O-CG2 3.17Å; V81-V85 PolarHBondContact O-N 2.64Å; E82-V85 PolarHBondContact O-N 2.99Å; V85-L87 PolarHBondContact O-N 3.15Å; V85-L88 PolarHBondContact O-N 3.24Å; V85-K89 HydrophobicContact CG1-CD 4.06Å; V85-K89 WeakPolarHBondContact O-CB 3.22Å; V85-K89 WeakPolarHBondContact O-CG 3.32Å; V85-K89 PolarHBondContact O-N 3.17Å; V85-E123 HydrophobicContact CG2-CB 3.8Å; V85-V124 HydrophobicContact CG2-CG2 3.96Å
86K98.2Very high94.5Very high146 Ų14661.1 Ų61.164%0.63531%0.31SS*.Hα-helixtrans-58.8-48.6176.8-175.9179.4177.9-1800111.9E82 R83 T84 K89 E90E82-K86 PolarHBondContact O-N 3.44Å; R83-K86 PolarHBondContact O-N 3.37Å; T84-K86 VanDerWaalsContact C-N 3.33Å; T84-K86 PolarHBondContact O-N 2.82Å; K86-K89 PolarHBondContact O-N 3.18Å; K86-E90 WeakPolarHBondContact O-CB 3.44Å; K86-E90 PolarHBondContact O-N 3.46Å
87L98.3Very high95.1Very high8 Ų859.6 Ų59.64%0.04231%0.312CS..Hα-helixtrans-64.4-40.1180-72.3168.8000112.5L64 E67 L68 L71 R83 T84 V85 E90 L91L64-L87 HydrophobicContact CD2-CD2 3.49Å; L64-L87 VanDerWaalsContact CD2-CD2 3.49Å; E67-L87 HydrophobicContact CB-CD1 3.87Å; E67-L87 HydrophobicContact CB-CD2 4.18Å; L68-L87 HydrophobicContact CD2-CB 3.81Å; L68-L87 HydrophobicContact CD2-CD1 4.36Å; L68-L87 HydrophobicContact CG-CB 4.14Å; L71-L87 HydrophobicContact CD1-CD1 3.39Å; R83-L87 HydrophobicContact CG-CD1 4.08Å; R83-L87 WeakPolarHBondContact O-CG 3.48Å; R83-L87 PolarHBondContact O-N 3.45Å; T84-L87 PolarHBondContact O-N 3.04Å; V85-L87 PolarHBondContact O-N 3.15Å; L87-E90 PolarHBondContact O-N 3Å; L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.41Å; L87-L91 PolarHBondContact O-N 3.45Å
88L98.5Very high95.6Very high0 Ų061.5 Ų61.50%032%0.318CS..Hα-helixtrans-64.9-41.3176.5-73.3169.4000111.8L68 T84 V85 L91 T92 L113 F116 V124 A128 L131L68-L88 HydrophobicContact CD1-CD2 3.94Å; L68-L88 HydrophobicContact CD2-CD2 4.08Å; L68-L88 HydrophobicContact CD2-CG 4.04Å; T84-L88 HydrophobicContact CG2-CD1 3.84Å; T84-L88 HydrophobicContact CG2-CG 4.33Å; T84-L88 WeakPolarHBondContact O-CB 3.22Å; T84-L88 WeakPolarHBondContact O-CG 3.16Å; T84-L88 PolarHBondContact O-N 2.97Å; V85-L88 PolarHBondContact O-N 3.24Å; L88-L91 PolarHBondContact O-N 3.1Å; L88-T92 WeakPolarHBondContact O-CB 3.36Å; L88-T92 PolarHBondContact O-N 2.98Å; L88-T92 PolarHBondContact O-OG1 3.01Å; L88-L113 HydrophobicContact CD2-CD2 3.87Å; L88-F116 HydrophobicContact CD1-CB 4.42Å; L88-V124 HydrophobicContact CD1-CG1 4.17Å; L88-A128 HydrophobicContact CD1-CB 4.06Å; L88-A128 HydrophobicContact CD2-CB 4.46Å; L88-L131 HydrophobicContact CD2-CD2 4.29Å
89K98.5Very high96.1Very high112 Ų11261.5 Ų61.549%0.48731%0.314SS..Hα-helixtrans-65.3-45.4175.5-73.9177.9176.8177.80111.6V85 K86 L91 T92 T93V85-K89 HydrophobicContact CG1-CD 4.06Å; V85-K89 WeakPolarHBondContact O-CB 3.22Å; V85-K89 WeakPolarHBondContact O-CG 3.32Å; V85-K89 PolarHBondContact O-N 3.17Å; K86-K89 PolarHBondContact O-N 3.18Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 3.4Å; K89-T92 WeakPolarHBondContact O-CB 3.4Å; K89-T92 PolarHBondContact O-N 3.18Å; K89-T92 VanDerWaalsContact O-N 3.15Å; K89-T93 PolarHBondContact O-N 3.03Å; K89-T93 PolarHBondContact O-OG1 3.31Å
90E98.4Very high96.4Very high60 Ų6055.6 Ų55.628%0.2828%0.282SS..Hα-helixtrans-61.1-43.3176.3-165.1-179.1153.400111.2R63 L64 K86 L87 T92 T93 V94R63-E90 IonicContact CZ-OE1 2.78Å; R63-E90 IonicContact NH2-OE1 3.4Å; R63-E90 PolarHBondContact NH2-OE1 2.82Å; L64-E90 HydrophobicContact CD1-CB 4.16Å; L64-E90 HydrophobicContact CD1-CG 3.85Å; L64-E90 HydrophobicContact CD2-CB 4.26Å; L64-E90 HydrophobicContact CD2-CG 4.16Å; K86-E90 WeakPolarHBondContact O-CB 3.44Å; K86-E90 PolarHBondContact O-N 3.46Å; L87-E90 PolarHBondContact O-N 3Å; E90-T92 VanDerWaalsContact C-N 3.3Å; E90-T92 PolarHBondContact O-N 3Å; E90-T93 WeakPolarHBondContact O-CB 3.28Å; E90-T93 PolarHBondContact O-N 2.89Å; E90-T93 VanDerWaalsContact O-N 3.12Å; E90-V94 WeakPolarHBondContact O-CG2 3.47Å; E90-V94 PolarHBondContact O-N 3.38Å
91L98.4Very high96.7Very high0 Ų054.4 Ų54.40%028%0.276CS..Hα-helixtrans-63.4-37.2175.8-177.557000111.9M61 L64 M65 L68 L87 L88 K89 T93 V94 C95 F104 L131M61-L91 HydrophobicContact CB-CD1 4.43Å; M61-L91 HydrophobicContact CG-CD1 3.75Å; L64-L91 HydrophobicContact CB-CB 4.39Å; L64-L91 HydrophobicContact CB-CD1 4.25Å; L64-L91 HydrophobicContact CD1-CB 4.19Å; L64-L91 HydrophobicContact CD1-CD1 4.4Å; M65-L91 HydrophobicContact CG-CD2 4.47Å; L68-L91 HydrophobicContact CD1-CD2 3.54Å; L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.41Å; L87-L91 PolarHBondContact O-N 3.45Å; L88-L91 PolarHBondContact O-N 3.1Å; K89-L91 VanDerWaalsContact C-N 3.33Å; K89-L91 PolarHBondContact O-N 3.4Å; L91-T93 VanDerWaalsContact C-N 3.32Å; L91-T93 PolarHBondContact O-N 3.5Å; L91-V94 PolarHBondContact O-N 3.16Å; L91-C95 WeakPolarHBondContact O-CB 3.43Å; L91-C95 PolarHBondContact O-N 3.25Å; L91-C95 PolarHBondContact O-SG 2.05Å; L91-F104 HydrophobicContact CD2-CD2 4.46Å; L91-F104 HydrophobicContact CD2-CE2 3.94Å; L91-L131 HydrophobicContact CB-CD2 4.25Å; L91-L131 HydrophobicContact CD2-CD2 3.54Å; L91-L131 HydrophobicContact CG-CD1 4.31Å; L91-L131 HydrophobicContact CG-CD2 3.73Å
92T98.3Very high96.8Very high13 Ų1355.6 Ų55.68%0.0828%0.281CS..Hα-helixtrans-61.2-40.5172.7-55.40000111.8L88 K89 E90 E130 L131 K134L88-T92 WeakPolarHBondContact O-CB 3.36Å; L88-T92 PolarHBondContact O-N 2.98Å; L88-T92 PolarHBondContact O-OG1 3.01Å; K89-T92 WeakPolarHBondContact O-CB 3.4Å; K89-T92 PolarHBondContact O-N 3.18Å; K89-T92 VanDerWaalsContact O-N 3.15Å; E90-T92 VanDerWaalsContact C-N 3.3Å; E90-T92 PolarHBondContact O-N 3Å; T92-E130 HydrophobicContact CG2-CG 4.37Å; T92-L131 WeakPolarHBondContact OG1-CB 3.28Å; T92-K134 HydrophobicContact CG2-CD 3.8Å; T92-K134 WeakPolarHBondContact O-CD 3.39Å; T92-K134 PolarHBondContact O-NZ 3.41Å
93T97.9Very high96.8Very high103 Ų10350.5 Ų50.563%0.63226%0.257SS*.Hα-helixtrans-65.8-42.6174.5-56.40000111.6K89 E90 L91K89-T93 PolarHBondContact O-N 3.03Å; K89-T93 PolarHBondContact O-OG1 3.31Å; E90-T93 WeakPolarHBondContact O-CB 3.28Å; E90-T93 PolarHBondContact O-N 2.89Å; E90-T93 VanDerWaalsContact O-N 3.12Å; L91-T93 VanDerWaalsContact C-N 3.32Å; L91-T93 PolarHBondContact O-N 3.5Å
94V97.2Very high96.9Very high20 Ų2044.2 Ų44.212%0.12123%0.233CC..Hα-helixtrans-69.7-36.3-178.4174.40000112.5E57 N60 M61 L64 E90 L91 N96 V100E57-V94 HydrophobicContact CB-CG1 4.45Å; E57-V94 VanDerWaalsContact O-CG1 3.31Å; E57-V94 WeakPolarHBondContact O-CG1 3.3Å; N60-V94 VanDerWaalsContact ND2-CG2 3.28Å; N60-V94 WeakPolarHBondContact ND2-CG2 3.5Å; M61-V94 HydrophobicContact CB-CG1 3.69Å; M61-V94 HydrophobicContact CG-CG1 4.5Å; L64-V94 HydrophobicContact CD1-CB 4.46Å; L64-V94 HydrophobicContact CD1-CG2 3.91Å; E90-V94 WeakPolarHBondContact O-CG2 3.47Å; E90-V94 PolarHBondContact O-N 3.38Å; L91-V94 PolarHBondContact O-N 3.16Å; V94-N96 PolarHBondContact O-N 3.41Å; V94-V100 HydrophobicContact CG1-CG1 4.13Å
95C96.5Very high96.9Very high0 Ų044.7 Ų44.70%024%0.236CC..  trans-72.564.2174.1-72.60000111.6L91 I101 L131 K134 V135L91-C95 WeakPolarHBondContact O-CB 3.43Å; L91-C95 PolarHBondContact O-N 3.25Å; L91-C95 PolarHBondContact O-SG 2.05Å; C95-I101 HydrophobicContact CB-CG1 4.06Å; C95-L131 HydrophobicContact CB-CD1 4.22Å; C95-K134 WeakPolarHBondContact O-CE 3.14Å; C95-K134 PolarHBondContact O-NZ 3.03Å; C95-V135 HydrophobicContact CB-CG2 4.49Å
96N93.9Very high96.7Very high121 Ų12148.9 Ų48.965%0.64726%0.258SS*.  trans-111.5-14.1-175.6-155.254000114.7V94 K134V94-N96 PolarHBondContact O-N 3.41Å; N96-K134 PolarHBondContact OD1-NZ 2.96Å
97S94.6Very high96.5Very high54 Ų5442.5 Ų42.538%0.37823%0.23SC..SBendtrans-119152.617669.70000110.5V99 V100 I101S97-V99 PolarHBondContact O-N 2.93Å; S97-V100 PolarHBondContact O-N 2.77Å; S97-V100 WeakPolarHBondContact OG-CG2 3.4Å; S97-V100 PolarHBondContact OG-N 3.36Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.28Å; S97-I101 PolarHBondContact O-N 2.88Å
98D95.1Very high96.4Very high94 Ų9442.9 Ų42.950%0.50324%0.236SC..Hα-helixtrans-60.4-35.1179.2-68.6-29.1000111.6V100 I101 M102 R139D98-V100 PolarHBondContact O-N 2.84Å; D98-I101 PolarHBondContact O-N 3.13Å; D98-M102 VanDerWaalsContact O-CB 3.28Å; D98-M102 WeakPolarHBondContact O-CB 3.34Å; D98-M102 WeakPolarHBondContact O-CG 3.4Å; D98-M102 PolarHBondContact O-N 3.18Å; D98-R139 IonicContact OD1-CZ 2.73Å; D98-R139 VanDerWaalsContact OD1-CZ 3.28Å; D98-R139 IonicContact OD1-NE 3.61Å; D98-R139 PolarHBondContact OD1-NE 3.14Å; D98-R139 IonicContact OD1-NH2 2.81Å; D98-R139 PolarHBondContact OD1-NH2 3.14Å
99V94.1Very high96.3Very high100 Ų10042.9 Ų42.961%0.60624%0.236SC*.Hα-helixtrans-58.2-49.1175.8178.20000111.5S97 M102 E103S97-V99 PolarHBondContact O-N 2.93Å; V99-M102 PolarHBondContact O-N 3.39Å; V99-E103 WeakPolarHBondContact O-CB 3.45Å; V99-E103 PolarHBondContact O-N 3.26Å
100V96.5Very high96.2Very high2 Ų237.6 Ų37.61%0.01221%0.213CC..Hα-helixtrans-69.3-39.7-178.7176.30000111.2E57 M61 V94 S97 D98 E103 F104E57-V100 HydrophobicContact CB-CG2 3.79Å; M61-V100 HydrophobicContact CB-CG1 3.89Å; M61-V100 HydrophobicContact CG-CG1 3.81Å; V94-V100 HydrophobicContact CG1-CG1 4.13Å; S97-V100 PolarHBondContact O-N 2.77Å; S97-V100 WeakPolarHBondContact OG-CG2 3.4Å; S97-V100 PolarHBondContact OG-N 3.36Å; D98-V100 PolarHBondContact O-N 2.84Å; V100-E103 PolarHBondContact O-N 3.02Å; V100-F104 WeakPolarHBondContact O-CB 3.36Å; V100-F104 PolarHBondContact O-N 3.37Å
101I97.6Very high95.9Very high2 Ų239.5 Ų39.51%0.0122%0.22CC..Hα-helixtrans-62.2-46176.5-70.7173.2000110.4C95 S97 D98 E103 F104 I105 V135C95-I101 HydrophobicContact CB-CG1 4.06Å; S97-I101 VanDerWaalsContact O-CG1 3.31Å; S97-I101 WeakPolarHBondContact O-CG1 3.28Å; S97-I101 PolarHBondContact O-N 2.88Å; D98-I101 PolarHBondContact O-N 3.13Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 2.77Å; I101-F104 WeakPolarHBondContact O-CB 3.07Å; I101-F104 PolarHBondContact O-N 3.46Å; I101-I105 WeakPolarHBondContact O-CG1 3.49Å; I101-I105 PolarHBondContact O-N 2.98Å; I101-V135 HydrophobicContact CG2-CG1 3.95Å
102M96Very high95.8Very high45 Ų4539.5 Ų39.522%0.22222%0.221CC..Hα-helixtrans-64.6-41.1179.1-72.5-42.8-52.800111.7D98 V99 I105 N106 Q141D98-M102 VanDerWaalsContact O-CB 3.28Å; D98-M102 WeakPolarHBondContact O-CB 3.34Å; D98-M102 WeakPolarHBondContact O-CG 3.4Å; D98-M102 PolarHBondContact O-N 3.18Å; V99-M102 PolarHBondContact O-N 3.39Å; M102-I105 PolarHBondContact O-N 2.92Å; M102-N106 WeakPolarHBondContact O-CB 3.5Å; M102-N106 PolarHBondContact O-N 3.38Å; M102-N106 PolarHBondContact O-ND2 3Å; M102-Q141 HydrophobicContact CE-CB 4.1Å; M102-Q141 HydrophobicContact CE-CG 3.73Å
103E95.4Very high95.7Very high37 Ų3738.9 Ų38.917%0.17322%0.217CC..Hα-helixtrans-64.8-43174.9-175.765.6179.700112Y54 T58 M61 R62 V99 V100 I101 I105 N106 I107Y54-E103 PolarHBondContact OH-OE1 3.35Å; T58-E103 HydrophobicContact CG2-CB 4.38Å; T58-E103 HydrophobicContact CG2-CG 3.76Å; M61-E103 HydrophobicContact CE-CB 3.88Å; M61-E103 HydrophobicContact CE-CG 3.55Å; R62-E103 IonicContact CZ-OE1 3.87Å; R62-E103 IonicContact NE-OE1 3.92Å; R62-E103 PolarHBondContact NE-OE1 3.31Å; R62-E103 IonicContact NH2-OE1 3.94Å; R62-E103 PolarHBondContact NH2-OE1 3.45Å; V99-E103 WeakPolarHBondContact O-CB 3.45Å; V99-E103 PolarHBondContact O-N 3.26Å; V100-E103 PolarHBondContact O-N 3.02Å; I101-E103 VanDerWaalsContact C-N 3.34Å; I101-E103 PolarHBondContact O-N 2.77Å; E103-I105 VanDerWaalsContact C-N 3.26Å; E103-I105 PolarHBondContact O-N 3.42Å; E103-N106 PolarHBondContact O-N 2.58Å; E103-I107 HydrophobicContact CG-CD1 3.94Å; E103-I107 HydrophobicContact CG-CG1 4.45Å; E103-I107 VanDerWaalsContact O-CG1 3.31Å; E103-I107 WeakPolarHBondContact O-CG1 3.13Å; E103-I107 PolarHBondContact O-N 3Å
104F97.4Very high95.5Very high0 Ų034.9 Ų34.90%019%0.194CC..Hα-helixtrans-54.6-44.2173.9168.8-98000111.5M61 M65 L91 V100 I101 G109 L113 L131 V135 F146M61-F104 HydrophobicContact CE-CB 4.31Å; M61-F104 HydrophobicContact CG-CB 4.36Å; M61-F104 HydrophobicContact SD-CB 3.96Å; M61-F104 HydrophobicContact SD-CD2 4.15Å; M65-F104 HydrophobicContact CE-CD2 3.98Å; M65-F104 HydrophobicContact CE-CE2 4.06Å; M65-F104 HydrophobicContact CG-CD2 4.02Å; M65-F104 HydrophobicContact CG-CE2 4.19Å; M65-F104 HydrophobicContact SD-CD2 3.59Å; M65-F104 VanDerWaalsContact SD-CD2 3.59Å; M65-F104 HydrophobicContact SD-CE2 4.12Å; L91-F104 HydrophobicContact CD2-CD2 4.46Å; L91-F104 HydrophobicContact CD2-CE2 3.94Å; V100-F104 WeakPolarHBondContact O-CB 3.36Å; V100-F104 PolarHBondContact O-N 3.37Å; I101-F104 WeakPolarHBondContact O-CB 3.07Å; I101-F104 PolarHBondContact O-N 3.46Å; F104-G109 VanDerWaalsContact O-CA 3.3Å; F104-G109 WeakPolarHBondContact O-CA 3.45Å; F104-G109 PolarHBondContact O-N 2.77Å; F104-L113 HydrophobicContact CE1-CD1 4.29Å; F104-L113 HydrophobicContact CZ-CD1 3.78Å; F104-L113 HydrophobicContact CZ-CG 3.98Å; F104-L131 HydrophobicContact CZ-CD2 4.46Å; F104-V135 HydrophobicContact CD1-CG1 4.13Å; F104-V135 HydrophobicContact CD1-CG2 4.17Å; F104-V135 HydrophobicContact CE1-CG1 4.22Å; F104-V135 HydrophobicContact CE1-CG2 4.16Å; F104-F146 HydrophobicContact CE1-CZ 4.35Å
105I96.5Very high95.3Very high9 Ų934 Ų345%0.04619%0.189CC..Hα-helixtrans-65.9-47.3176-70.7-58.2000111.9I101 M102 E103 I107 G108 V135 C142 F146I101-I105 WeakPolarHBondContact O-CG1 3.49Å; I101-I105 PolarHBondContact O-N 2.98Å; M102-I105 PolarHBondContact O-N 2.92Å; E103-I105 VanDerWaalsContact C-N 3.26Å; E103-I105 PolarHBondContact O-N 3.42Å; I105-I107 VanDerWaalsContact C-N 3.27Å; I105-I107 PolarHBondContact O-N 3.32Å; I105-G108 WeakPolarHBondContact O-CA 3.25Å; I105-G108 PolarHBondContact O-N 3.27Å; I105-V135 HydrophobicContact CD1-CG1 3.69Å; I105-V135 HydrophobicContact CG1-CG1 4.01Å; I105-C142 HydrophobicContact CD1-CB 4.35Å; I105-C142 HydrophobicContact CG1-CB 4.21Å; I105-F146 HydrophobicContact CD1-CD2 4.07Å; I105-F146 HydrophobicContact CD1-CE2 3.6Å
106N93.9Very high95.2Very high101 Ų10134 Ų3454%0.5419%0.189SC..Hα-helixtrans-61.5-34.2-177.3-71.1-19.9000112.6M102 E103 G108M102-N106 WeakPolarHBondContact O-CB 3.5Å; M102-N106 PolarHBondContact O-N 3.38Å; M102-N106 PolarHBondContact O-ND2 3Å; E103-N106 PolarHBondContact O-N 2.58Å; N106-G108 PolarHBondContact O-N 3.23Å
107I94.7Very high95.3Very high12 Ų1228.2 Ų28.26%0.06216%0.158CC..Hα-helixtrans-70.3-22.5175.5-67.1169.5000111.8L44 A47 L48 M61 R62 M65 E103 I105L44-I107 HydrophobicContact CD2-CG2 4.25Å; L44-I107 VanDerWaalsContact CD2-O 3.32Å; L44-I107 WeakPolarHBondContact CD2-O 3.31Å; A47-I107 HydrophobicContact CB-CB 4.49Å; A47-I107 HydrophobicContact CB-CG2 4Å; L48-I107 HydrophobicContact CD2-CD1 4.27Å; L48-I107 HydrophobicContact CD2-CG2 3.84Å; L48-I107 HydrophobicContact CG-CG2 3.91Å; M61-I107 HydrophobicContact CE-CD1 3.88Å; M61-I107 HydrophobicContact SD-CD1 4.42Å; R62-I107 HydrophobicContact CG-CD1 3.71Å; M65-I107 HydrophobicContact CE-CB 4Å; M65-I107 HydrophobicContact CE-CG2 3.53Å; M65-I107 HydrophobicContact SD-CB 4.25Å; M65-I107 HydrophobicContact SD-CD1 4.16Å; M65-I107 HydrophobicContact SD-CG2 3.97Å; E103-I107 HydrophobicContact CG-CD1 3.94Å; E103-I107 HydrophobicContact CG-CG1 4.45Å; E103-I107 VanDerWaalsContact O-CG1 3.31Å; E103-I107 WeakPolarHBondContact O-CG1 3.13Å; E103-I107 PolarHBondContact O-N 3Å; I105-I107 VanDerWaalsContact C-N 3.27Å; I105-I107 PolarHBondContact O-N 3.32Å
108G94.7Very high95.2Very high15 Ų1525.8 Ų25.816%0.15514%0.141CC..THydrogen-bonded Turntrans109.726.8-176.900000113.9I105 N106 A110 K111 L112I105-G108 WeakPolarHBondContact O-CA 3.25Å; I105-G108 PolarHBondContact O-N 3.27Å; N106-G108 PolarHBondContact O-N 3.23Å; G108-A110 PolarHBondContact O-N 3.11Å; G108-K111 PolarHBondContact O-N 3.24Å; G108-L112 PolarHBondContact O-N 3.39Å; G108-L112 VanDerWaalsContact O-N 3.13Å
109G96.7Very high94.9Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-52.8-36.3179.900000114.6F104 K111 L112 L113F104-G109 VanDerWaalsContact O-CA 3.3Å; F104-G109 WeakPolarHBondContact O-CA 3.45Å; F104-G109 PolarHBondContact O-N 2.77Å; G109-K111 PolarHBondContact O-N 3.43Å; G109-L112 WeakPolarHBondContact O-CB 3.45Å; G109-L112 PolarHBondContact O-N 3.44Å; G109-L113 WeakPolarHBondContact O-CG 3.45Å; G109-L113 PolarHBondContact O-N 2.93Å
110A96.1Very high94.7Very high1 Ų121.2 Ų21.21%0.00812%0.118CC..Hα-helixtrans-58.1-45.7174.700000112.6G108 L113 A114 F146 A149 F151G108-A110 PolarHBondContact O-N 3.11Å; A110-L113 PolarHBondContact O-N 3.28Å; A110-A114 PolarHBondContact O-N 2.92Å; A110-F146 HydrophobicContact CB-CD1 3.85Å; A110-F146 HydrophobicContact CB-CD2 4.03Å; A110-F146 HydrophobicContact CB-CE1 3.99Å; A110-F146 HydrophobicContact CB-CE2 4.17Å; A110-F146 HydrophobicContact CB-CG 3.89Å; A110-F146 HydrophobicContact CB-CZ 4.17Å; A110-A149 HydrophobicContact CB-CB 4.04Å; A110-F151 VanDerWaalsContact O-CE2 3.29Å; A110-F151 WeakPolarHBondContact O-CE2 3.5Å
111K93.6Very high94.4Very high100 Ų10023.7 Ų23.744%0.43513%0.131SC..Hα-helixtrans-67-40.9177.4-66.7176-178.6174.70111.1L36 G108 G109 L113 A114 P115 A149L36-K111 WeakPolarHBondContact CD2-O 3.26Å; G108-K111 PolarHBondContact O-N 3.24Å; G109-K111 PolarHBondContact O-N 3.43Å; K111-L113 VanDerWaalsContact C-N 3.26Å; K111-L113 PolarHBondContact O-N 3.19Å; K111-A114 PolarHBondContact O-N 3.49Å; K111-P115 WeakPolarHBondContact O-CD 3.33Å; K111-A149 HydrophobicContact CG-CB 4.44Å
112L95.4Very high94.2Very high1 Ų125.6 Ų25.61%0.00515%0.147CC..Hα-helixtrans-58.2-37177.3176.564.9000112.1L36 L44 M65 L68 L69 G108 G109 P115 F116L36-L112 HydrophobicContact CD1-CD1 4.27Å; L44-L112 HydrophobicContact CD1-CB 4.27Å; L44-L112 HydrophobicContact CD2-CB 4.46Å; M65-L112 HydrophobicContact CB-CD2 3.96Å; M65-L112 HydrophobicContact CE-CD2 3.72Å; M65-L112 HydrophobicContact CG-CD2 3.93Å; L68-L112 HydrophobicContact CB-CD1 4.35Å; L68-L112 HydrophobicContact CB-CD2 4.29Å; L69-L112 HydrophobicContact CB-CD1 4.1Å; L69-L112 HydrophobicContact CD1-CD1 4.34Å; G108-L112 PolarHBondContact O-N 3.39Å; G108-L112 VanDerWaalsContact O-N 3.13Å; G109-L112 WeakPolarHBondContact O-CB 3.45Å; G109-L112 PolarHBondContact O-N 3.44Å; L112-P115 WeakPolarHBondContact O-CD 3.48Å; L112-F116 HydrophobicContact CD1-CE2 4.16Å; L112-F116 HydrophobicContact CG-CE2 4.38Å; L112-F116 WeakPolarHBondContact O-CD2 3.37Å; L112-F116 VanDerWaalsContact O-CE2 3.26Å; L112-F116 WeakPolarHBondContact O-CE2 3.45Å
113L96.6Very high94.1Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-78.8-22.2-177.4-67.8-175.1000115.1L88 F104 G109 A110 K111 F116 V117 L131 F146 F151L88-L113 HydrophobicContact CD2-CD2 3.87Å; F104-L113 HydrophobicContact CE1-CD1 4.29Å; F104-L113 HydrophobicContact CZ-CD1 3.78Å; F104-L113 HydrophobicContact CZ-CG 3.98Å; G109-L113 WeakPolarHBondContact O-CG 3.45Å; G109-L113 PolarHBondContact O-N 2.93Å; A110-L113 PolarHBondContact O-N 3.28Å; K111-L113 VanDerWaalsContact C-N 3.26Å; K111-L113 PolarHBondContact O-N 3.19Å; L113-F116 HydrophobicContact CD2-CD2 4.35Å; L113-F116 PolarHBondContact O-N 3.11Å; L113-V117 PolarHBondContact O-N 3.12Å; L113-L131 HydrophobicContact CD1-CB 4.4Å; L113-L131 HydrophobicContact CD1-CD2 3.77Å; L113-L131 HydrophobicContact CD1-CG 3.83Å; L113-L131 HydrophobicContact CD2-CD2 3.72Å; L113-L131 HydrophobicContact CG-CD2 4.35Å; L113-F146 HydrophobicContact CB-CE1 4.41Å; L113-F146 HydrophobicContact CD1-CE1 4.1Å; L113-F146 HydrophobicContact CD1-CZ 3.94Å; L113-F151 HydrophobicContact CB-CZ 4.04Å
114A93.9Very high94Very high18 Ų1827.3 Ų27.315%0.14916%0.155CC..Hα-helixtrans-54.3-47.2-176.300000113.9A110 K111 F116 V117 C118 F151A110-A114 PolarHBondContact O-N 2.92Å; K111-A114 PolarHBondContact O-N 3.49Å; A114-F116 VanDerWaalsContact C-N 3.27Å; A114-F116 PolarHBondContact O-N 3.13Å; A114-V117 PolarHBondContact O-N 3.2Å; A114-C118 WeakPolarHBondContact O-CB 3.5Å; A114-C118 PolarHBondContact O-N 3.17Å; A114-C118 PolarHBondContact O-SG 3.01Å; A114-F151 HydrophobicContact CB-CE2 3.86Å; A114-F151 HydrophobicContact CB-CZ 4.23Å
115P91.9Very high93.9Very high2 Ų227.9 Ų27.91%0.01316%0.157CC..Hα-helixtrans-57.2-36.6175-23.331.2000114.2L36 A72 K111 L112 Q119L36-P115 HydrophobicContact CD2-CG 3.69Å; L36-P115 HydrophobicContact CG-CG 3.66Å; A72-P115 HydrophobicContact CB-CG 4.48Å; K111-P115 WeakPolarHBondContact O-CD 3.33Å; L112-P115 WeakPolarHBondContact O-CD 3.48Å; P115-Q119 WeakPolarHBondContact O-CG 3.47Å; P115-Q119 PolarHBondContact O-N 3.31Å; P115-Q119 PolarHBondContact O-NE2 2.8Å
116F95Very high93.9Very high0 Ų029.9 Ų29.90%017%0.167CC..Hα-helixtrans-77.2-40.7-176.1-59.3-69.6000111.9L68 A72 W76 T84 L88 L112 L113 A114 C118 Q119 V124 A128L68-F116 HydrophobicContact CB-CE2 4.14Å; L68-F116 HydrophobicContact CB-CZ 4.05Å; L68-F116 HydrophobicContact CD2-CE1 4.32Å; L68-F116 HydrophobicContact CD2-CE2 4.36Å; L68-F116 HydrophobicContact CD2-CZ 3.98Å; L68-F116 WeakPolarHBondContact O-CZ 3.41Å; A72-F116 HydrophobicContact CB-CE2 4.18Å; A72-F116 HydrophobicContact CB-CZ 3.79Å; W76-F116 AromaticContact CH2-CD1 3.93Å; W76-F116 HydrophobicContact CH2-CD1 3.93Å; W76-F116 AromaticContact CH2-CE1 3.92Å; W76-F116 HydrophobicContact CH2-CE1 3.92Å; W76-F116 HydrophobicContact CZ2-CD1 4.45Å; W76-F116 HydrophobicContact CZ2-CE1 4.46Å; T84-F116 HydrophobicContact CG2-CD1 3.67Å; T84-F116 HydrophobicContact CG2-CE1 3.65Å; L88-F116 HydrophobicContact CD1-CB 4.42Å; L112-F116 HydrophobicContact CD1-CE2 4.16Å; L112-F116 HydrophobicContact CG-CE2 4.38Å; L112-F116 WeakPolarHBondContact O-CD2 3.37Å; L112-F116 VanDerWaalsContact O-CE2 3.26Å; L112-F116 WeakPolarHBondContact O-CE2 3.45Å; L113-F116 HydrophobicContact CD2-CD2 4.35Å; L113-F116 PolarHBondContact O-N 3.11Å; A114-F116 VanDerWaalsContact C-N 3.27Å; A114-F116 PolarHBondContact O-N 3.13Å; F116-C118 PolarHBondContact O-N 2.87Å; F116-Q119 WeakPolarHBondContact O-CB 3.24Å; F116-Q119 PolarHBondContact O-N 3.13Å; F116-V124 HydrophobicContact CB-CG1 4.2Å; F116-V124 HydrophobicContact CD1-CG1 4.03Å; F116-A128 HydrophobicContact CB-CB 3.62Å
117V95.4Very high94.1Very high0 Ų025.2 Ų25.20%014%0.143CC..Hα-helixtrans-65.1-30.9172.9171.90000111.5L113 A114 Q119 K125 A128 L129 F151 I154 I158L113-V117 PolarHBondContact O-N 3.12Å; A114-V117 PolarHBondContact O-N 3.2Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 2.71Å; V117-K125 WeakPolarHBondContact O-CG 3.31Å; V117-A128 HydrophobicContact CG2-CB 3.68Å; V117-L129 HydrophobicContact CG1-CD2 3.79Å; V117-L129 HydrophobicContact CG1-CG 4.39Å; V117-L129 HydrophobicContact CG2-CD2 4.26Å; V117-L129 HydrophobicContact CG2-CG 4.49Å; V117-F151 HydrophobicContact CB-CE1 4.39Å; V117-F151 HydrophobicContact CG2-CE1 3.9Å; V117-F151 HydrophobicContact CG2-CZ 4.42Å; V117-I154 HydrophobicContact CG1-CG2 3.73Å; V117-I158 HydrophobicContact CG1-CD1 3.39Å
118C92.1Very high94.3Very high3 Ų324.7 Ų24.72%0.0214%0.14CC..THydrogen-bonded Turntrans-84.60.8177.1-62.40000114G32 A114 F116G32-C118 VanDerWaalsContact CA-SG 3.58Å; G32-C118 WeakPolarHBondContact O-CB 3.03Å; A114-C118 WeakPolarHBondContact O-CB 3.5Å; A114-C118 PolarHBondContact O-N 3.17Å; A114-C118 PolarHBondContact O-SG 3.01Å; F116-C118 PolarHBondContact O-N 2.87Å
119Q90.7Very high94.4Very high3 Ų324 Ų241%0.01413%0.133CC..  trans-65.5142.4-177.3-79-52.2-47.400112.8W76 P115 F116 V117 N121 V124 K125W76-Q119 HydrophobicContact CH2-CG 3.91Å; W76-Q119 HydrophobicContact CZ2-CG 3.56Å; W76-Q119 VanDerWaalsContact CZ2-NE2 3.26Å; W76-Q119 VanDerWaalsContact NE1-CD 3.33Å; P115-Q119 WeakPolarHBondContact O-CG 3.47Å; P115-Q119 PolarHBondContact O-N 3.31Å; P115-Q119 PolarHBondContact O-NE2 2.8Å; F116-Q119 WeakPolarHBondContact O-CB 3.24Å; F116-Q119 PolarHBondContact O-N 3.13Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 2.71Å; Q119-N121 VanDerWaalsContact C-N 3.29Å; Q119-N121 PolarHBondContact O-N 2.88Å; Q119-V124 HydrophobicContact CB-CB 4.29Å; Q119-V124 HydrophobicContact CB-CG1 4.04Å; Q119-V124 HydrophobicContact CG-CB 4.48Å; Q119-V124 HydrophobicContact CG-CG1 3.79Å; Q119-K125 WeakPolarHBondContact O-CE 3.27Å; Q119-K125 PolarHBondContact O-NZ 3.03Å
120P88.9Confident94.5Very high94 Ų9427.9 Ų27.961%0.6115%0.151SC*.SBendtrans-64.5-32.9171.5-23.234.8000113.1A122P120-A122 PolarHBondContact O-N 3.22Å
121N91Very high94.6Very high55 Ų5527.9 Ų27.929%0.29415%0.151SC..SBendtrans-67.3123.8179.4-178-78.6000111.2V81 Q119 E123 V124 K125V81-N121 HydrophobicContact CG2-CB 4.38Å; Q119-N121 VanDerWaalsContact C-N 3.29Å; Q119-N121 PolarHBondContact O-N 2.88Å; N121-E123 PolarHBondContact O-N 2.98Å; N121-E123 WeakPolarHBondContact OD1-CB 3.26Å; N121-E123 PolarHBondContact OD1-N 3.31Å; N121-V124 HydrophobicContact CB-CB 4.41Å; N121-V124 HydrophobicContact CB-CG2 4.25Å; N121-V124 PolarHBondContact OD1-N 3.3Å; N121-V124 VanDerWaalsContact OD1-N 3.1Å; N121-K125 WeakPolarHBondContact O-CB 3.49Å; N121-K125 PolarHBondContact O-N 3.49Å; N121-K125 VanDerWaalsContact O-N 3.09Å
122A91.9Very high94.8Very high41 Ų4123.1 Ų23.134%0.33913%0.13SC..Hα-helixtrans-64.8-35.8-174.400000113.4P120 L126P120-A122 PolarHBondContact O-N 3.22Å; A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 PolarHBondContact O-N 2.97Å
123E93.8Very high95Very high119 Ų11923.3 Ų23.356%0.55613%0.132SC*.Hα-helixtrans-72.7-42.3-177.7-61.7-174177.400112.3V85 N121 L126 S127V85-E123 HydrophobicContact CG2-CB 3.8Å; N121-E123 PolarHBondContact O-N 2.98Å; N121-E123 WeakPolarHBondContact OD1-CB 3.26Å; N121-E123 PolarHBondContact OD1-N 3.31Å; E123-L126 PolarHBondContact O-N 3.41Å; E123-S127 WeakPolarHBondContact O-CB 3.07Å; E123-S127 PolarHBondContact O-N 3.47Å; E123-S127 PolarHBondContact O-OG 3.3Å
124V94.9Very high95Very high0 Ų026.1 Ų26.10%014%0.144CC..Hα-helixtrans-61.5-49.4173.9176.80000109.7W76 V81 T84 V85 L88 F116 Q119 N121 L126 S127 A128W76-V124 HydrophobicContact CH2-CG1 4.21Å; W76-V124 HydrophobicContact CZ3-CG1 4.48Å; W76-V124 HydrophobicContact CZ3-CG2 4.2Å; V81-V124 HydrophobicContact CB-CG2 4.44Å; V81-V124 HydrophobicContact CG1-CG2 4.02Å; V81-V124 HydrophobicContact CG2-CG2 4.39Å; T84-V124 HydrophobicContact CG2-CG1 3.8Å; T84-V124 HydrophobicContact CG2-CG2 4.26Å; V85-V124 HydrophobicContact CG2-CG2 3.96Å; L88-V124 HydrophobicContact CD1-CG1 4.17Å; F116-V124 HydrophobicContact CB-CG1 4.2Å; F116-V124 HydrophobicContact CD1-CG1 4.03Å; Q119-V124 HydrophobicContact CB-CB 4.29Å; Q119-V124 HydrophobicContact CB-CG1 4.04Å; Q119-V124 HydrophobicContact CG-CB 4.48Å; Q119-V124 HydrophobicContact CG-CG1 3.79Å; N121-V124 HydrophobicContact CB-CB 4.41Å; N121-V124 HydrophobicContact CB-CG2 4.25Å; N121-V124 PolarHBondContact OD1-N 3.3Å; N121-V124 VanDerWaalsContact OD1-N 3.1Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.98Å; V124-S127 PolarHBondContact O-N 3.21Å; V124-A128 WeakPolarHBondContact O-CB 3.39Å; V124-A128 PolarHBondContact O-N 3.12Å
125K95.1Very high95.2Very high11 Ų1125.3 Ų25.35%0.04814%0.137CC..Hα-helixtrans-56.7-48177179.5-178.3-58172.20111.2V117 Q119 N121 A128 L129 I158 A167V117-K125 WeakPolarHBondContact O-CG 3.31Å; Q119-K125 WeakPolarHBondContact O-CE 3.27Å; Q119-K125 PolarHBondContact O-NZ 3.03Å; N121-K125 WeakPolarHBondContact O-CB 3.49Å; N121-K125 PolarHBondContact O-N 3.49Å; N121-K125 VanDerWaalsContact O-N 3.09Å; K125-A128 PolarHBondContact O-N 3.1Å; K125-L129 HydrophobicContact CG-CD1 3.91Å; K125-L129 HydrophobicContact CG-CG 4.45Å; K125-L129 WeakPolarHBondContact O-CB 3.41Å; K125-L129 VanDerWaalsContact O-CG 3.24Å; K125-L129 WeakPolarHBondContact O-CG 3.37Å; K125-L129 PolarHBondContact O-N 3.24Å; K125-I158 HydrophobicContact CD-CD1 4.46Å; K125-I158 HydrophobicContact CD-CG2 4.42Å; K125-A167 HydrophobicContact CD-CB 3.57Å; K125-A167 HydrophobicContact CG-CB 4.19Å
126L96.5Very high95.5Very high51 Ų5125.2 Ų25.227%0.26714%0.137SC..Hα-helixtrans-62-46.9-178.9-176.367.4000111.7A122 E123 V124 A128 L129 E130 V166 K170A122-L126 WeakPolarHBondContact O-CB 3.46Å; A122-L126 PolarHBondContact O-N 2.97Å; E123-L126 PolarHBondContact O-N 3.41Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.98Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 2.93Å; L126-L129 PolarHBondContact O-N 3.34Å; L126-E130 WeakPolarHBondContact O-CB 3.39Å; L126-E130 PolarHBondContact O-N 3.49Å; L126-V166 HydrophobicContact CD1-CG1 4.34Å; L126-V166 HydrophobicContact CD2-CG1 3.93Å; L126-K170 HydrophobicContact CD1-CB 3.77Å; L126-K170 HydrophobicContact CD1-CG 3.89Å
127S97.7Very high95.5Very high4 Ų428.8 Ų28.83%0.02815%0.153CC..Hα-helixtrans-65.8-36179.9-58.40000111.6E123 V124 E130 L131E123-S127 WeakPolarHBondContact O-CB 3.07Å; E123-S127 PolarHBondContact O-N 3.47Å; E123-S127 PolarHBondContact O-OG 3.3Å; V124-S127 PolarHBondContact O-N 3.21Å; S127-E130 PolarHBondContact O-N 2.92Å; S127-L131 PolarHBondContact O-N 3.28Å; S127-L131 VanDerWaalsContact O-N 3.17Å
128A97.8Very high95.4Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-69.3-39.3174.800000112.2L88 F116 V117 V124 K125 L126 E130 T132L88-A128 HydrophobicContact CD1-CB 4.06Å; L88-A128 HydrophobicContact CD2-CB 4.46Å; F116-A128 HydrophobicContact CB-CB 3.62Å; V117-A128 HydrophobicContact CG2-CB 3.68Å; V124-A128 WeakPolarHBondContact O-CB 3.39Å; V124-A128 PolarHBondContact O-N 3.12Å; K125-A128 PolarHBondContact O-N 3.1Å; L126-A128 VanDerWaalsContact C-N 3.31Å; L126-A128 PolarHBondContact O-N 2.93Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-T132 WeakPolarHBondContact O-CB 3.3Å; A128-T132 PolarHBondContact O-N 3.22Å; A128-T132 PolarHBondContact O-OG1 2.89Å
129L98.1Very high95.6Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-66.6-35.4175-73.2169.8000112.2V117 K125 L126 T132 S133 L155 I158 A167 K170 T174V117-L129 HydrophobicContact CG1-CD2 3.79Å; V117-L129 HydrophobicContact CG1-CG 4.39Å; V117-L129 HydrophobicContact CG2-CD2 4.26Å; V117-L129 HydrophobicContact CG2-CG 4.49Å; K125-L129 HydrophobicContact CG-CD1 3.91Å; K125-L129 HydrophobicContact CG-CG 4.45Å; K125-L129 WeakPolarHBondContact O-CB 3.41Å; K125-L129 VanDerWaalsContact O-CG 3.24Å; K125-L129 WeakPolarHBondContact O-CG 3.37Å; K125-L129 PolarHBondContact O-N 3.24Å; L126-L129 PolarHBondContact O-N 3.34Å; L129-T132 PolarHBondContact O-N 3.1Å; L129-S133 WeakPolarHBondContact O-CB 3.5Å; L129-S133 PolarHBondContact O-N 2.73Å; L129-S133 PolarHBondContact O-OG 3.48Å; L129-S133 VanDerWaalsContact O-OG 3.11Å; L129-L155 HydrophobicContact CD2-CD2 3.37Å; L129-I158 HydrophobicContact CD1-CG2 4.21Å; L129-I158 HydrophobicContact CD2-CD1 4.35Å; L129-A167 HydrophobicContact CD1-CB 4.46Å; L129-K170 HydrophobicContact CB-CG 3.72Å; L129-K170 HydrophobicContact CD1-CB 4.29Å; L129-K170 HydrophobicContact CD1-CG 4.38Å; L129-T174 HydrophobicContact CD2-CG2 4.38Å; L129-T174 PolarHBondContact O-OG1 3Å
130E98Very high95.9Very high83 Ų8342.9 Ų42.939%0.38822%0.22SC..Hα-helixtrans-62.3-53.3175.1-171.2170.4-169.900111.7T92 L126 S127 A128 T132 S133 K134 K170T92-E130 HydrophobicContact CG2-CG 4.37Å; L126-E130 WeakPolarHBondContact O-CB 3.39Å; L126-E130 PolarHBondContact O-N 3.49Å; S127-E130 PolarHBondContact O-N 2.92Å; A128-E130 VanDerWaalsContact C-N 3.34Å; E130-T132 VanDerWaalsContact C-N 3.3Å; E130-T132 PolarHBondContact O-N 3.02Å; E130-S133 PolarHBondContact O-N 3.36Å; E130-S133 PolarHBondContact O-OG 2.96Å; E130-K134 PolarHBondContact O-N 3.01Å; E130-K170 VanDerWaalsContact CA-CE 3.46Å
131L98.5Very high96.2Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-55.2-47172.7177.555.2000111.5L88 L91 T92 C95 F104 L113 S127 S133 K134 V135L88-L131 HydrophobicContact CD2-CD2 4.29Å; L91-L131 HydrophobicContact CB-CD2 4.25Å; L91-L131 HydrophobicContact CD2-CD2 3.54Å; L91-L131 HydrophobicContact CG-CD1 4.31Å; L91-L131 HydrophobicContact CG-CD2 3.73Å; T92-L131 WeakPolarHBondContact OG1-CB 3.28Å; C95-L131 HydrophobicContact CB-CD1 4.22Å; F104-L131 HydrophobicContact CZ-CD2 4.46Å; L113-L131 HydrophobicContact CD1-CB 4.4Å; L113-L131 HydrophobicContact CD1-CD2 3.77Å; L113-L131 HydrophobicContact CD1-CG 3.83Å; L113-L131 HydrophobicContact CD2-CD2 3.72Å; L113-L131 HydrophobicContact CG-CD2 4.35Å; S127-L131 PolarHBondContact O-N 3.28Å; S127-L131 VanDerWaalsContact O-N 3.17Å; L131-S133 PolarHBondContact O-N 3.19Å; L131-K134 PolarHBondContact O-N 2.59Å; L131-V135 HydrophobicContact CD1-CG2 3.89Å; L131-V135 VanDerWaalsContact O-CG2 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.45Å; L131-V135 PolarHBondContact O-N 3.03Å
132T98.6Very high96.5Very high1 Ų141.2 Ų41.21%0.00620%0.202CC..Hα-helixtrans-58.1-51.1179.8-58.60000110.8A128 L129 E130 K134 V135 V136 F146 F151 T174A128-T132 WeakPolarHBondContact O-CB 3.3Å; A128-T132 PolarHBondContact O-N 3.22Å; A128-T132 PolarHBondContact O-OG1 2.89Å; L129-T132 PolarHBondContact O-N 3.1Å; E130-T132 VanDerWaalsContact C-N 3.3Å; E130-T132 PolarHBondContact O-N 3.02Å; T132-K134 VanDerWaalsContact C-N 3.33Å; T132-K134 PolarHBondContact O-N 3.08Å; T132-V135 PolarHBondContact O-N 3.44Å; T132-V136 HydrophobicContact CG2-CG1 4.45Å; T132-V136 WeakPolarHBondContact O-CG2 3.38Å; T132-V136 PolarHBondContact O-N 3.38Å; T132-F146 HydrophobicContact CG2-CD1 3.8Å; T132-F146 HydrophobicContact CG2-CE1 3.54Å; T132-F146 HydrophobicContact CG2-CG 4.44Å; T132-F146 HydrophobicContact CG2-CZ 3.99Å; T132-F151 HydrophobicContact CG2-CD1 3.93Å; T132-F151 HydrophobicContact CG2-CE1 3.82Å; T132-T174 HydrophobicContact CG2-CG2 3.45Å; T132-T174 VanDerWaalsContact CG2-CG2 3.45Å
133S98.1Very high96.9Very high5 Ų539.3 Ų39.34%0.03519%0.186CC..Hα-helixtrans-58.3-44.3179.655.10000112.1L129 E130 L131 V135 V136 E137 K170L129-S133 WeakPolarHBondContact O-CB 3.5Å; L129-S133 PolarHBondContact O-N 2.73Å; L129-S133 PolarHBondContact O-OG 3.48Å; L129-S133 VanDerWaalsContact O-OG 3.11Å; E130-S133 PolarHBondContact O-N 3.36Å; E130-S133 PolarHBondContact O-OG 2.96Å; L131-S133 PolarHBondContact O-N 3.19Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.28Å; S133-V136 PolarHBondContact O-N 3.3Å; S133-E137 WeakPolarHBondContact O-CB 3.47Å; S133-E137 PolarHBondContact O-N 3.03Å; S133-K170 WeakPolarHBondContact OG-CE 3.46Å; S133-K170 PolarHBondContact OG-NZ 3.41Å
134K97.6Very high97Very high59 Ų5935 Ų3526%0.25717%0.166SC..Hα-helixtrans-60.7-40.5178.8-174.5175.4-173.9-177.60112.3T92 C95 N96 E130 L131 T132T92-K134 HydrophobicContact CG2-CD 3.8Å; T92-K134 WeakPolarHBondContact O-CD 3.39Å; T92-K134 PolarHBondContact O-NZ 3.41Å; C95-K134 WeakPolarHBondContact O-CE 3.14Å; C95-K134 PolarHBondContact O-NZ 3.03Å; N96-K134 PolarHBondContact OD1-NZ 2.96Å; E130-K134 PolarHBondContact O-N 3.01Å; L131-K134 PolarHBondContact O-N 2.59Å; T132-K134 VanDerWaalsContact C-N 3.33Å; T132-K134 PolarHBondContact O-N 3.08Å
135V98.3Very high97.1Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-73.8-37.6-178.3170.60000111.8C95 I101 F104 I105 L131 T132 S133 C142 F146C95-V135 HydrophobicContact CB-CG2 4.49Å; I101-V135 HydrophobicContact CG2-CG1 3.95Å; F104-V135 HydrophobicContact CD1-CG1 4.13Å; F104-V135 HydrophobicContact CD1-CG2 4.17Å; F104-V135 HydrophobicContact CE1-CG1 4.22Å; F104-V135 HydrophobicContact CE1-CG2 4.16Å; I105-V135 HydrophobicContact CD1-CG1 3.69Å; I105-V135 HydrophobicContact CG1-CG1 4.01Å; L131-V135 HydrophobicContact CD1-CG2 3.89Å; L131-V135 VanDerWaalsContact O-CG2 3.31Å; L131-V135 WeakPolarHBondContact O-CG2 3.45Å; L131-V135 PolarHBondContact O-N 3.03Å; T132-V135 PolarHBondContact O-N 3.44Å; S133-V135 VanDerWaalsContact C-N 3.31Å; S133-V135 PolarHBondContact O-N 3.28Å; V135-C142 HydrophobicContact CG1-CB 4.13Å; V135-C142 VanDerWaalsContact O-CB 3.23Å; V135-C142 WeakPolarHBondContact O-CB 3.2Å; V135-C142 PolarHBondContact O-SG 3.31Å; V135-F146 HydrophobicContact CB-CE2 4.26Å; V135-F146 HydrophobicContact CG1-CE2 3.64Å; V135-F146 HydrophobicContact CG1-CZ 4.34Å
136V98Very high97.2Very high1 Ų136 Ų361%0.00618%0.175CC..Hα-helixtrans-86.4-22.9-176-58.30000114.4T132 S133 N138 R139 Q143 F146 C177 L178T132-V136 HydrophobicContact CG2-CG1 4.45Å; T132-V136 WeakPolarHBondContact O-CG2 3.38Å; T132-V136 PolarHBondContact O-N 3.38Å; S133-V136 PolarHBondContact O-N 3.3Å; V136-N138 PolarHBondContact O-N 3.32Å; V136-N138 VanDerWaalsContact O-N 3.13Å; V136-R139 PolarHBondContact O-N 2.94Å; V136-R139 VanDerWaalsContact O-N 3.14Å; V136-Q143 HydrophobicContact CB-CG 4.06Å; V136-Q143 WeakPolarHBondContact O-CG 3.35Å; V136-F146 HydrophobicContact CG1-CB 4.12Å; V136-F146 HydrophobicContact CG1-CD2 3.25Å; V136-F146 HydrophobicContact CG1-CE2 3.71Å; V136-F146 HydrophobicContact CG1-CG 3.76Å; V136-C177 HydrophobicContact CG2-CB 3.7Å; V136-L178 HydrophobicContact CG1-CD1 4.33Å
137E94.9Very high97.2Very high74 Ų7433.6 Ų33.635%0.34616%0.162SC..THydrogen-bonded Turntrans-55.4119-174.8-176.4171.7-143.500111.5S133 R139 Y173S133-E137 WeakPolarHBondContact O-CB 3.47Å; S133-E137 PolarHBondContact O-N 3.03Å; E137-R139 WeakPolarHBondContact O-CG 3.49Å; E137-R139 PolarHBondContact O-N 3.36Å; E137-R139 PolarHBondContact O-NH1 2.74Å; E137-Y173 PolarHBondContact OE1-OH 3.3Å
138N92.9Very high97Very high116 Ų11634.6 Ų34.662%0.6217%0.17SC*.THydrogen-bonded Turntrans55.429.6179.1-59.2-42.2000115V136V136-N138 PolarHBondContact O-N 3.32Å; V136-N138 VanDerWaalsContact O-N 3.13Å
139R96.3Very high96.8Very high71 Ų7135.3 Ų35.327%0.26818%0.175SC..  trans-132.493.9-177.6-69.7176.2-174.584.1-3.9112.3D98 V136 E137 Q141 C142 Q143D98-R139 IonicContact OD1-CZ 2.73Å; D98-R139 VanDerWaalsContact OD1-CZ 3.28Å; D98-R139 IonicContact OD1-NE 3.61Å; D98-R139 PolarHBondContact OD1-NE 3.14Å; D98-R139 IonicContact OD1-NH2 2.81Å; D98-R139 PolarHBondContact OD1-NH2 3.14Å; V136-R139 PolarHBondContact O-N 2.94Å; V136-R139 VanDerWaalsContact O-N 3.14Å; E137-R139 WeakPolarHBondContact O-CG 3.49Å; E137-R139 PolarHBondContact O-N 3.36Å; E137-R139 PolarHBondContact O-NH1 2.74Å; R139-Q141 VanDerWaalsContact C-N 3.34Å; R139-Q141 PolarHBondContact O-N 3.34Å; R139-C142 HydrophobicContact CB-CB 3.84Å; R139-C142 WeakPolarHBondContact O-CA 3.2Å; R139-C142 WeakPolarHBondContact O-CB 3.41Å; R139-C142 PolarHBondContact O-N 2.77Å; R139-Q143 WeakPolarHBondContact O-CG 3.44Å; R139-Q143 PolarHBondContact O-N 2.88Å
140Q96.8Very high96.6Very high116 Ų11635.8 Ų35.854%0.54218%0.178SC..Hα-helixtrans-54.5-42.7-176.6-72.5-175.2-5.100114.4C142 Q143 N144 G181 N182Q140-C142 VanDerWaalsContact C-N 3.3Å; Q140-C142 PolarHBondContact O-N 3.27Å; Q140-Q143 VanDerWaalsContact CA-OE1 3.24Å; Q140-Q143 PolarHBondContact O-N 3.29Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.98Å; Q140-N144 PolarHBondContact O-ND2 2.89Å; Q140-N144 PolarHBondContact O-OD1 3.46Å; Q140-G181 PolarHBondContact NE2-O 3.3Å; Q140-N182 HydrophobicContact CG-CB 4.4Å
141Q95.8Very high96.5Very high113 Ų11331.9 Ų31.953%0.52816%0.159SC..Hα-helixtrans-64-37.8178.3-170.1174-9.600112.2M102 R139 S145M102-Q141 HydrophobicContact CE-CB 4.1Å; M102-Q141 HydrophobicContact CE-CG 3.73Å; R139-Q141 VanDerWaalsContact C-N 3.34Å; R139-Q141 PolarHBondContact O-N 3.34Å; Q141-S145 PolarHBondContact O-N 3.01Å; Q141-S145 VanDerWaalsContact O-N 3.11Å
142C98Very high96.4Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-67.2-48.8174.8-61.70000110.4I105 V135 R139 Q140 N144 S145 F146I105-C142 HydrophobicContact CD1-CB 4.35Å; I105-C142 HydrophobicContact CG1-CB 4.21Å; V135-C142 HydrophobicContact CG1-CB 4.13Å; V135-C142 VanDerWaalsContact O-CB 3.23Å; V135-C142 WeakPolarHBondContact O-CB 3.2Å; V135-C142 PolarHBondContact O-SG 3.31Å; R139-C142 HydrophobicContact CB-CB 3.84Å; R139-C142 WeakPolarHBondContact O-CA 3.2Å; R139-C142 WeakPolarHBondContact O-CB 3.41Å; R139-C142 PolarHBondContact O-N 2.77Å; Q140-C142 VanDerWaalsContact C-N 3.3Å; Q140-C142 PolarHBondContact O-N 3.27Å; C142-N144 VanDerWaalsContact C-N 3.27Å; C142-N144 PolarHBondContact O-N 3.26Å; C142-S145 WeakPolarHBondContact O-CB 3.48Å; C142-S145 PolarHBondContact O-N 3.44Å; C142-F146 WeakPolarHBondContact O-CD2 3.27Å; C142-F146 PolarHBondContact O-N 2.81Å
143Q98.3Very high96.3Very high1 Ų132 Ų321%0.00516%0.16CC..Hα-helixtrans-54.4-44.2176.2-67.2167.3-29.200111.6V136 R139 Q140 S145 F146 A147 C177 L178 F180 N182 V185V136-Q143 HydrophobicContact CB-CG 4.06Å; V136-Q143 WeakPolarHBondContact O-CG 3.35Å; R139-Q143 WeakPolarHBondContact O-CG 3.44Å; R139-Q143 PolarHBondContact O-N 2.88Å; Q140-Q143 VanDerWaalsContact CA-OE1 3.24Å; Q140-Q143 PolarHBondContact O-N 3.29Å; Q143-S145 PolarHBondContact O-N 3.37Å; Q143-F146 PolarHBondContact O-N 3.45Å; Q143-A147 WeakPolarHBondContact O-CB 3.47Å; Q143-A147 PolarHBondContact O-N 2.82Å; Q143-C177 PolarHBondContact NE2-O 3.4Å; Q143-L178 HydrophobicContact CB-CD1 4.04Å; Q143-L178 HydrophobicContact CG-CD1 4.39Å; Q143-L178 WeakPolarHBondContact CG-O 3.48Å; Q143-L178 WeakPolarHBondContact O-CD1 3.42Å; Q143-F180 PolarHBondContact NE2-O 2.95Å; Q143-N182 PolarHBondContact OE1-ND2 3.1Å; Q143-V185 HydrophobicContact CB-CG2 4.41Å
144N97.5Very high96.2Very high28 Ų2831.9 Ų31.915%0.1516%0.159CC..Hα-helixtrans-62.5-40.7177.5-70.8-9.8000112.2F16 L20 Q140 C142 S148 N182F16-N144 HydrophobicContact CE2-CB 4.5Å; F16-N144 HydrophobicContact CZ-CB 4.25Å; L20-N144 HydrophobicContact CD1-CB 3.97Å; L20-N144 HydrophobicContact CD2-CB 4.13Å; Q140-N144 WeakPolarHBondContact O-CB 3.41Å; Q140-N144 PolarHBondContact O-N 2.98Å; Q140-N144 PolarHBondContact O-ND2 2.89Å; Q140-N144 PolarHBondContact O-OD1 3.46Å; C142-N144 VanDerWaalsContact C-N 3.27Å; C142-N144 PolarHBondContact O-N 3.26Å; N144-S148 VanDerWaalsContact O-CB 3.31Å; N144-S148 WeakPolarHBondContact O-CB 3.3Å; N144-S148 PolarHBondContact O-N 3.46Å; N144-S148 PolarHBondContact O-OG 3.13Å; N144-N182 PolarHBondContact OD1-ND2 3.22Å
145S96Very high96.2Very high32 Ų3229.1 Ų29.122%0.22415%0.147CC..Hα-helixtrans-64.8-42.6176.7-172.20000112.2Q141 C142 Q143 S148 A149Q141-S145 PolarHBondContact O-N 3.01Å; Q141-S145 VanDerWaalsContact O-N 3.11Å; C142-S145 WeakPolarHBondContact O-CB 3.48Å; C142-S145 PolarHBondContact O-N 3.44Å; Q143-S145 PolarHBondContact O-N 3.37Å; S145-S148 WeakPolarHBondContact O-CB 3.22Å; S145-S148 PolarHBondContact O-N 3.29Å; S145-A149 PolarHBondContact O-N 2.69Å
146F97.5Very high96.1Very high1 Ų129.6 Ų29.60%0.00415%0.15CC..Hα-helixtrans-70.9-37.5176.7-82-85.4000113F104 I105 A110 L113 T132 V135 V136 C142 Q143 S148 A149 H150 F151 L178F104-F146 HydrophobicContact CE1-CZ 4.35Å; I105-F146 HydrophobicContact CD1-CD2 4.07Å; I105-F146 HydrophobicContact CD1-CE2 3.6Å; A110-F146 HydrophobicContact CB-CD1 3.85Å; A110-F146 HydrophobicContact CB-CD2 4.03Å; A110-F146 HydrophobicContact CB-CE1 3.99Å; A110-F146 HydrophobicContact CB-CE2 4.17Å; A110-F146 HydrophobicContact CB-CG 3.89Å; A110-F146 HydrophobicContact CB-CZ 4.17Å; L113-F146 HydrophobicContact CB-CE1 4.41Å; L113-F146 HydrophobicContact CD1-CE1 4.1Å; L113-F146 HydrophobicContact CD1-CZ 3.94Å; T132-F146 HydrophobicContact CG2-CD1 3.8Å; T132-F146 HydrophobicContact CG2-CE1 3.54Å; T132-F146 HydrophobicContact CG2-CG 4.44Å; T132-F146 HydrophobicContact CG2-CZ 3.99Å; V135-F146 HydrophobicContact CB-CE2 4.26Å; V135-F146 HydrophobicContact CG1-CE2 3.64Å; V135-F146 HydrophobicContact CG1-CZ 4.34Å; V136-F146 HydrophobicContact CG1-CB 4.12Å; V136-F146 HydrophobicContact CG1-CD2 3.25Å; V136-F146 HydrophobicContact CG1-CE2 3.71Å; V136-F146 HydrophobicContact CG1-CG 3.76Å; C142-F146 WeakPolarHBondContact O-CD2 3.27Å; C142-F146 PolarHBondContact O-N 2.81Å; Q143-F146 PolarHBondContact O-N 3.45Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-S148 PolarHBondContact O-N 2.95Å; F146-A149 CarbonylContact O-C 3.41Å; F146-A149 WeakPolarHBondContact O-CA 3.48Å; F146-A149 PolarHBondContact O-N 3.5Å; F146-A149 VanDerWaalsContact O-N 3.1Å; F146-H150 PolarHBondContact O-N 3.48Å; F146-F151 HydrophobicContact CB-CB 4.27Å; F146-F151 HydrophobicContact CB-CD2 4.48Å; F146-F151 HydrophobicContact CB-CG 4.26Å; F146-F151 AromaticContact CD1-CD1 3.55Å; F146-F151 HydrophobicContact CD1-CD1 3.55Å; F146-F151 AromaticContact CD1-CD2 3.75Å; F146-F151 HydrophobicContact CD1-CD2 3.75Å; F146-F151 AromaticContact CD1-CE1 3.46Å; F146-F151 HydrophobicContact CD1-CE1 3.46Å; F146-F151 VanDerWaalsContact CD1-CE1 3.46Å; F146-F151 AromaticContact CD1-CE2 3.68Å; F146-F151 HydrophobicContact CD1-CE2 3.68Å; F146-F151 AromaticContact CD1-CG 3.68Å; F146-F151 HydrophobicContact CD1-CG 3.68Å; F146-F151 AromaticContact CD1-CZ 3.54Å; F146-F151 HydrophobicContact CD1-CZ 3.54Å; F146-F151 HydrophobicContact CE1-CD1 4.13Å; F146-F151 AromaticContact CE1-CE1 3.58Å; F146-F151 HydrophobicContact CE1-CE1 3.58Å; F146-F151 HydrophobicContact CE1-CE2 4.12Å; F146-F151 AromaticContact CE1-CZ 3.58Å; F146-F151 HydrophobicContact CE1-CZ 3.58Å; F146-F151 HydrophobicContact CG-CG 4.47Å; F146-F151 WeakPolarHBondContact O-CB 3.42Å; F146-F151 PolarHBondContact O-N 3.4Å; F146-L178 HydrophobicContact CB-CD1 3.82Å
147A96.6Very high95.9Very high0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-63-39.2171.300000111.6F16 Q143 A149 H150 I152 V185 L188F16-A147 HydrophobicContact CE1-CB 4.07Å; F16-A147 HydrophobicContact CZ-CB 3.73Å; Q143-A147 WeakPolarHBondContact O-CB 3.47Å; Q143-A147 PolarHBondContact O-N 2.82Å; A147-A149 PolarHBondContact O-N 3.44Å; A147-H150 WeakPolarHBondContact O-CA 3.35Å; A147-H150 PolarHBondContact O-N 2.88Å; A147-I152 HydrophobicContact CB-CD1 4.27Å; A147-V185 HydrophobicContact CB-CG1 4.31Å; A147-V185 HydrophobicContact CB-CG2 3.81Å; A147-L188 HydrophobicContact CB-CD1 4.3Å
148S93.3Very high95.9Very high26 Ų2630 Ų3018%0.18215%0.151CC..Hα-helixtrans-63.9-24.7172.2-59.70000113.3Y13 F16 L20 N144 S145 F146 H150Y13-S148 PolarHBondContact OH-O 2.89Å; F16-S148 WeakPolarHBondContact CE1-OG 3.29Å; L20-S148 WeakPolarHBondContact CD1-OG 3.18Å; N144-S148 VanDerWaalsContact O-CB 3.31Å; N144-S148 WeakPolarHBondContact O-CB 3.3Å; N144-S148 PolarHBondContact O-N 3.46Å; N144-S148 PolarHBondContact O-OG 3.13Å; S145-S148 WeakPolarHBondContact O-CB 3.22Å; S145-S148 PolarHBondContact O-N 3.29Å; F146-S148 VanDerWaalsContact C-N 3.32Å; F146-S148 PolarHBondContact O-N 2.95Å; S148-H150 VanDerWaalsContact C-N 3.3Å
149A92.7Very high95.9Very high15 Ų1524.5 Ų24.512%0.12412%0.122CC..THydrogen-bonded Turntrans-90.912.5172.100000113A110 K111 S145 F146 A147 F151A110-A149 HydrophobicContact CB-CB 4.04Å; K111-A149 HydrophobicContact CG-CB 4.44Å; S145-A149 PolarHBondContact O-N 2.69Å; F146-A149 CarbonylContact O-C 3.41Å; F146-A149 WeakPolarHBondContact O-CA 3.48Å; F146-A149 PolarHBondContact O-N 3.5Å; F146-A149 VanDerWaalsContact O-N 3.1Å; A147-A149 PolarHBondContact O-N 3.44Å; A149-F151 VanDerWaalsContact C-N 3.35Å; A149-F151 HydrophobicContact CB-CD2 3.86Å; A149-F151 HydrophobicContact CB-CE2 3.94Å; A149-F151 PolarHBondContact O-N 3.1Å
150H94Very high95.7Very high10 Ų1021.9 Ų21.95%0.04612%0.115CC..THydrogen-bonded Turntrans6035.4178.2-51.7-62.8000114.9Y9 W10 Y13 F28 V31 F146 A147 S148 I152 P153 I154Y9-H150 AromaticContact CE1-ND1 3.89Å; Y9-H150 PolarHBondContact OH-ND1 2.95Å; W10-H150 AromaticContact CH2-CE1 3.79Å; W10-H150 AromaticContact CZ3-CE1 3.47Å; W10-H150 VanDerWaalsContact CZ3-CE1 3.47Å; W10-H150 WeakPolarHBondContact CZ3-CE1 3.46Å; W10-H150 AromaticContact CZ3-NE2 3.94Å; Y13-H150 AromaticContact CD2-CE1 3.88Å; Y13-H150 AromaticContact CE1-CE1 3.62Å; Y13-H150 AromaticContact CE2-CE1 3.45Å; Y13-H150 VanDerWaalsContact CE2-CE1 3.45Å; Y13-H150 WeakPolarHBondContact CE2-CE1 3.37Å; Y13-H150 AromaticContact CE2-ND1 3.87Å; Y13-H150 AromaticContact CZ-CE1 3.31Å; Y13-H150 AromaticContact CZ-NE2 3.97Å; F28-H150 AromaticContact CD2-CD2 3.96Å; F28-H150 AromaticContact CD2-NE2 3.51Å; F28-H150 AromaticContact CE2-NE2 3.57Å; V31-H150 HydrophobicContact CB-CB 4.44Å; V31-H150 HydrophobicContact CG1-CB 3.58Å; V31-H150 HydrophobicContact CG2-CB 4Å; F146-H150 PolarHBondContact O-N 3.48Å; A147-H150 WeakPolarHBondContact O-CA 3.35Å; A147-H150 PolarHBondContact O-N 2.88Å; S148-H150 VanDerWaalsContact C-N 3.3Å; H150-I152 VanDerWaalsContact C-N 3.27Å; H150-I152 PolarHBondContact O-N 3.46Å; H150-P153 HydrophobicContact CB-CG 4.25Å; H150-P153 VanDerWaalsContact O-CD 3.29Å; H150-P153 WeakPolarHBondContact O-CD 3.13Å; H150-P153 WeakPolarHBondContact O-CG 3.38Å; H150-I154 WeakPolarHBondContact O-CD1 3.28Å; H150-I154 WeakPolarHBondContact O-CG1 3.35Å
151F96.7Very high95.4Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-68.1-24.4177.1-88.5-121.4000113.6A110 L113 A114 V117 T132 F146 A149 I154 L155 L178A110-F151 VanDerWaalsContact O-CE2 3.29Å; A110-F151 WeakPolarHBondContact O-CE2 3.5Å; L113-F151 HydrophobicContact CB-CZ 4.04Å; A114-F151 HydrophobicContact CB-CE2 3.86Å; A114-F151 HydrophobicContact CB-CZ 4.23Å; V117-F151 HydrophobicContact CB-CE1 4.39Å; V117-F151 HydrophobicContact CG2-CE1 3.9Å; V117-F151 HydrophobicContact CG2-CZ 4.42Å; T132-F151 HydrophobicContact CG2-CD1 3.93Å; T132-F151 HydrophobicContact CG2-CE1 3.82Å; F146-F151 HydrophobicContact CB-CB 4.27Å; F146-F151 HydrophobicContact CB-CD2 4.48Å; F146-F151 HydrophobicContact CB-CG 4.26Å; F146-F151 AromaticContact CD1-CD1 3.55Å; F146-F151 HydrophobicContact CD1-CD1 3.55Å; F146-F151 AromaticContact CD1-CD2 3.75Å; F146-F151 HydrophobicContact CD1-CD2 3.75Å; F146-F151 AromaticContact CD1-CE1 3.46Å; F146-F151 HydrophobicContact CD1-CE1 3.46Å; F146-F151 VanDerWaalsContact CD1-CE1 3.46Å; F146-F151 AromaticContact CD1-CE2 3.68Å; F146-F151 HydrophobicContact CD1-CE2 3.68Å; F146-F151 AromaticContact CD1-CG 3.68Å; F146-F151 HydrophobicContact CD1-CG 3.68Å; F146-F151 AromaticContact CD1-CZ 3.54Å; F146-F151 HydrophobicContact CD1-CZ 3.54Å; F146-F151 HydrophobicContact CE1-CD1 4.13Å; F146-F151 AromaticContact CE1-CE1 3.58Å; F146-F151 HydrophobicContact CE1-CE1 3.58Å; F146-F151 HydrophobicContact CE1-CE2 4.12Å; F146-F151 AromaticContact CE1-CZ 3.58Å; F146-F151 HydrophobicContact CE1-CZ 3.58Å; F146-F151 HydrophobicContact CG-CG 4.47Å; F146-F151 WeakPolarHBondContact O-CB 3.42Å; F146-F151 PolarHBondContact O-N 3.4Å; A149-F151 VanDerWaalsContact C-N 3.35Å; A149-F151 HydrophobicContact CB-CD2 3.86Å; A149-F151 HydrophobicContact CB-CE2 3.94Å; A149-F151 PolarHBondContact O-N 3.1Å; F151-I154 PolarHBondContact O-N 3.33Å; F151-L155 HydrophobicContact CB-CD1 4.09Å; F151-L155 HydrophobicContact CB-CG 4.42Å; F151-L155 HydrophobicContact CD1-CD1 4.37Å; F151-L155 HydrophobicContact CD1-CG 4.46Å; F151-L155 VanDerWaalsContact O-CB 3.29Å; F151-L155 WeakPolarHBondContact O-CB 3.01Å; F151-L155 WeakPolarHBondContact O-CG 3.24Å; F151-L155 PolarHBondContact O-N 3.32Å; F151-L178 HydrophobicContact CB-CD2 3.92Å
152I97.3Very high94.9Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-55-61.3178.2-62.4171.7000111.6Y9 A147 H150 I154 L155 M156 L178 V185 L188 F189 C192Y9-I152 HydrophobicContact CE2-CD1 4.48Å; A147-I152 HydrophobicContact CB-CD1 4.27Å; H150-I152 VanDerWaalsContact C-N 3.27Å; H150-I152 PolarHBondContact O-N 3.46Å; I152-I154 VanDerWaalsContact C-N 3.28Å; I152-I154 PolarHBondContact O-N 2.81Å; I152-L155 PolarHBondContact O-N 3.3Å; I152-M156 HydrophobicContact CG2-SD 3.96Å; I152-M156 WeakPolarHBondContact O-CB 3.41Å; I152-M156 VanDerWaalsContact O-CG 3.27Å; I152-M156 WeakPolarHBondContact O-CG 3.36Å; I152-M156 PolarHBondContact O-N 2.96Å; I152-L178 HydrophobicContact CG1-CD2 3.82Å; I152-V185 HydrophobicContact CD1-CG1 3.95Å; I152-V185 HydrophobicContact CG1-CG1 4.36Å; I152-L188 HydrophobicContact CD1-CB 3.43Å; I152-L188 VanDerWaalsContact CD1-CB 3.43Å; I152-L188 HydrophobicContact CD1-CD1 4.05Å; I152-L188 HydrophobicContact CD1-CG 4.42Å; I152-F189 HydrophobicContact CG2-CB 4.23Å; I152-F189 HydrophobicContact CG2-CD2 4.15Å; I152-C192 HydrophobicContact CG2-CB 4.13Å
153P95.6Very high94.3Very high5 Ų523.1 Ų23.13%0.03213%0.129CC..Hα-helixtrans-62.2-35178.621.8-33.2000112.7I3 I5 V31 H150 M156 Q157I3-P153 HydrophobicContact CG2-CB 4.16Å; I5-P153 HydrophobicContact CD1-CB 4.17Å; I5-P153 HydrophobicContact CD1-CG 3.67Å; I5-P153 HydrophobicContact CG1-CB 4.2Å; I5-P153 HydrophobicContact CG1-CG 4.24Å; V31-P153 HydrophobicContact CG1-CG 4.35Å; H150-P153 HydrophobicContact CB-CG 4.25Å; H150-P153 VanDerWaalsContact O-CD 3.29Å; H150-P153 WeakPolarHBondContact O-CD 3.13Å; H150-P153 WeakPolarHBondContact O-CG 3.38Å; P153-M156 PolarHBondContact O-N 3.18Å; P153-Q157 PolarHBondContact O-N 2.97Å
154I95.8Very high93.6Very high2 Ų223.9 Ų23.91%0.0114%0.135CC..Hα-helixtrans-61-51.6177.4-65170.1000110.7I3 V31 V117 H150 F151 I152 Q157 I158I3-I154 HydrophobicContact CD1-CB 4.4Å; I3-I154 HydrophobicContact CD1-CG1 4.06Å; V31-I154 HydrophobicContact CG1-CD1 3.82Å; V31-I154 HydrophobicContact CG1-CG1 3.71Å; V117-I154 HydrophobicContact CG1-CG2 3.73Å; H150-I154 WeakPolarHBondContact O-CD1 3.28Å; H150-I154 WeakPolarHBondContact O-CG1 3.35Å; F151-I154 PolarHBondContact O-N 3.33Å; I152-I154 VanDerWaalsContact C-N 3.28Å; I152-I154 PolarHBondContact O-N 2.81Å; I154-Q157 PolarHBondContact O-N 3.42Å; I154-I158 HydrophobicContact CG2-CD1 3.92Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 3.32Å
155L97.4Very high93.1Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-69.6-34.9-177.8-66.5170.5000111.6L129 F151 I152 Q157 I158 A159 T174 L175 L178L129-L155 HydrophobicContact CD2-CD2 3.37Å; F151-L155 HydrophobicContact CB-CD1 4.09Å; F151-L155 HydrophobicContact CB-CG 4.42Å; F151-L155 HydrophobicContact CD1-CD1 4.37Å; F151-L155 HydrophobicContact CD1-CG 4.46Å; F151-L155 VanDerWaalsContact O-CB 3.29Å; F151-L155 WeakPolarHBondContact O-CB 3.01Å; F151-L155 WeakPolarHBondContact O-CG 3.24Å; F151-L155 PolarHBondContact O-N 3.32Å; I152-L155 PolarHBondContact O-N 3.3Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.49Å; L155-I158 PolarHBondContact O-N 3.33Å; L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.03Å; L155-A159 PolarHBondContact O-N 3.37Å; L155-T174 HydrophobicContact CD1-CG2 3.8Å; L155-T174 HydrophobicContact CD2-CG2 3.82Å; L155-T174 HydrophobicContact CG-CG2 4.49Å; L155-L175 HydrophobicContact CB-CB 3.95Å; L155-L175 HydrophobicContact CB-CD1 4.04Å; L155-L175 HydrophobicContact CB-CG 4.38Å; L155-L175 HydrophobicContact CD1-CB 4.34Å; L155-L175 HydrophobicContact CD1-CD1 4.44Å; L155-L178 HydrophobicContact CD1-CD2 3.78Å
156M95.7Very high92.7Very high11 Ų1129.8 Ų29.85%0.05417%0.167CC..Hα-helixtrans-60.2-41.4171.6-74.2177.767.600112I152 P153 S160 L175 F189 C192 K197I152-M156 HydrophobicContact CG2-SD 3.96Å; I152-M156 WeakPolarHBondContact O-CB 3.41Å; I152-M156 VanDerWaalsContact O-CG 3.27Å; I152-M156 WeakPolarHBondContact O-CG 3.36Å; I152-M156 PolarHBondContact O-N 2.96Å; P153-M156 PolarHBondContact O-N 3.18Å; M156-S160 PolarHBondContact O-N 2.96Å; M156-S160 PolarHBondContact O-OG 3.26Å; M156-L175 HydrophobicContact CG-CD1 4.38Å; M156-L175 HydrophobicContact CG-CD2 3.71Å; M156-F189 HydrophobicContact CE-CE2 4.38Å; M156-F189 HydrophobicContact CG-CD2 4.3Å; M156-F189 HydrophobicContact CG-CE2 3.99Å; M156-F189 HydrophobicContact SD-CD2 3.9Å; M156-F189 HydrophobicContact SD-CE2 3.9Å; M156-C192 HydrophobicContact CE-CB 4.5Å; M156-C192 WeakPolarHBondContact CE-O 3.38Å; M156-C192 HydrophobicContact SD-CB 3.83Å; M156-K197 HydrophobicContact CE-CB 3.69Å; M156-K197 HydrophobicContact CE-CG 3.95Å
157Q94Very high92.4Very high82 Ų8229.8 Ų29.838%0.38317%0.167SC..Hα-helixtrans-66-44.5175.9-175.662.935.600111.3M1 I3 P153 I154 L155 S160 D161M1-Q157 HydrophobicContact CE-CB 4.3Å; M1-Q157 HydrophobicContact CE-CG 3.65Å; M1-Q157 HydrophobicContact CG-CG 4.04Å; M1-Q157 HydrophobicContact SD-CB 3.78Å; M1-Q157 HydrophobicContact SD-CG 3.44Å; M1-Q157 WeakPolarHBondContact SD-CG 3.27Å; I3-Q157 HydrophobicContact CD1-CB 3.87Å; I3-Q157 HydrophobicContact CD1-CG 4.37Å; I3-Q157 HydrophobicContact CG1-CB 4.19Å; I3-Q157 HydrophobicContact CG1-CG 4.26Å; P153-Q157 PolarHBondContact O-N 2.97Å; I154-Q157 PolarHBondContact O-N 3.42Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 3.49Å; Q157-S160 PolarHBondContact O-N 3.18Å; Q157-S160 VanDerWaalsContact O-N 3.13Å; Q157-D161 PolarHBondContact O-N 3.38Å
158I95Very high92.2Very high1 Ų130.2 Ų30.21%0.00517%0.169CC..Hα-helixtrans-63-43.4177.6-66168.1000111.3M1 V117 K125 L129 I154 L155 S160 D161 A167M1-I158 HydrophobicContact CE-CG1 3.92Å; M1-I158 HydrophobicContact SD-CG1 4.49Å; V117-I158 HydrophobicContact CG1-CD1 3.39Å; K125-I158 HydrophobicContact CD-CD1 4.46Å; K125-I158 HydrophobicContact CD-CG2 4.42Å; L129-I158 HydrophobicContact CD1-CG2 4.21Å; L129-I158 HydrophobicContact CD2-CD1 4.35Å; I154-I158 HydrophobicContact CG2-CD1 3.92Å; I154-I158 WeakPolarHBondContact O-CG1 3.44Å; I154-I158 PolarHBondContact O-N 3.32Å; L155-I158 PolarHBondContact O-N 3.33Å; I158-S160 PolarHBondContact O-N 2.87Å; I158-D161 PolarHBondContact O-N 2.84Å; I158-D161 VanDerWaalsContact O-N 3.12Å; I158-A167 HydrophobicContact CG2-CB 4.33Å
159A94.4Very high92.3Very high0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-64.5-17.517700000112.9L155 R168 F172 L201L155-A159 VanDerWaalsContact O-CB 3.27Å; L155-A159 WeakPolarHBondContact O-CB 3.03Å; L155-A159 PolarHBondContact O-N 3.37Å; A159-R168 VanDerWaalsContact O-CD 3.27Å; A159-R168 WeakPolarHBondContact O-CD 3.33Å; A159-R168 WeakPolarHBondContact O-CG 3.35Å; A159-F172 HydrophobicContact CB-CB 4.04Å; A159-F172 HydrophobicContact CB-CD2 4.47Å; A159-L201 HydrophobicContact CB-CD1 4.22Å; A159-L201 WeakPolarHBondContact O-CD2 3.5Å
160S91Very high92.4Very high17 Ų1732.9 Ų32.912%0.11918%0.179CC..THydrogen-bonded Turntrans-98.8-5.1176.7-49.60000113.9M156 Q157 I158 Y162 K197M156-S160 PolarHBondContact O-N 2.96Å; M156-S160 PolarHBondContact O-OG 3.26Å; Q157-S160 PolarHBondContact O-N 3.18Å; Q157-S160 VanDerWaalsContact O-N 3.13Å; I158-S160 PolarHBondContact O-N 2.87Å; S160-Y162 WeakPolarHBondContact O-CD2 3.29Å; S160-Y162 PolarHBondContact O-N 3.43Å; S160-Y162 VanDerWaalsContact O-N 3.15Å; S160-K197 WeakPolarHBondContact OG-CD 3.42Å; S160-K197 WeakPolarHBondContact OG-CE 3.4Å; S160-K197 PolarHBondContact OG-NZ 3.29Å
161D90.2Very high92.5Very high35 Ų3532.4 Ų32.419%0.18718%0.177CC..  trans-8396.3-170.7-172.9-1.1000111Q157 I158 S163 C164Q157-D161 PolarHBondContact O-N 3.38Å; I158-D161 PolarHBondContact O-N 2.84Å; I158-D161 VanDerWaalsContact O-N 3.12Å; D161-S163 VanDerWaalsContact CG-OG 3.29Å; D161-S163 PolarHBondContact O-N 3.04Å; D161-S163 VanDerWaalsContact OD1-CB 3.31Å; D161-S163 WeakPolarHBondContact OD1-CB 2.86Å; D161-S163 PolarHBondContact OD1-N 3.03Å; D161-S163 PolarHBondContact OD1-OG 2.89Å; D161-S163 PolarHBondContact OD2-OG 3.34Å; D161-C164 PolarHBondContact O-N 2.94Å
162Y85.7Confident92.6Very high112 Ų11232.8 Ų32.844%0.43918%0.179SC..THydrogen-bonded Turntrans-67.4-11.9177.1-71.9-95.2000113.7S160 C164 R168 Y200S160-Y162 WeakPolarHBondContact O-CD2 3.29Å; S160-Y162 PolarHBondContact O-N 3.43Å; S160-Y162 VanDerWaalsContact O-N 3.15Å; Y162-C164 VanDerWaalsContact C-N 3.25Å; Y162-C164 PolarHBondContact O-N 3.26Å; Y162-R168 VanDerWaalsContact CE1-NH1 3.28Å; Y162-Y200 AromaticContact CE2-CE1 3.71Å; Y162-Y200 HydrophobicContact CE2-CE1 3.71Å; Y162-Y200 AromaticContact CE2-CZ 3.88Å; Y162-Y200 WeakPolarHBondContact CE2-OH 3.45Å; Y162-Y200 AromaticContact CZ-CE1 3.9Å; Y162-Y200 WeakPolarHBondContact OH-CE1 3.15Å; Y162-Y200 PolarHBondContact OH-OH 3.33Å; Y162-Y200 VanDerWaalsContact OH-OH 3.12Å
163S85.5Confident92.6Very high107 Ų10737.1 Ų37.175%0.74820%0.196SC*.THydrogen-bonded Turntrans-76.8-12.8175.975.90000113.1D161D161-S163 VanDerWaalsContact CG-OG 3.29Å; D161-S163 PolarHBondContact O-N 3.04Å; D161-S163 VanDerWaalsContact OD1-CB 3.31Å; D161-S163 WeakPolarHBondContact OD1-CB 2.86Å; D161-S163 PolarHBondContact OD1-N 3.03Å; D161-S163 PolarHBondContact OD1-OG 2.89Å; D161-S163 PolarHBondContact OD2-OG 3.34Å
164C83.6Confident92.7Very high18 Ų1836.9 Ų36.912%0.12219%0.194CC..  trans-133.380.2-174.9-162.70000112.8D161 Y162 V166 A167 R168D161-C164 PolarHBondContact O-N 2.94Å; Y162-C164 VanDerWaalsContact C-N 3.25Å; Y162-C164 PolarHBondContact O-N 3.26Å; C164-V166 PolarHBondContact O-N 3.48Å; C164-V166 VanDerWaalsContact O-N 3.14Å; C164-A167 HydrophobicContact CB-CB 4.26Å; C164-A167 PolarHBondContact O-N 3.5Å; C164-A167 WeakPolarHBondContact SG-CB 3.38Å; C164-R168 WeakPolarHBondContact O-CB 3.27Å; C164-R168 PolarHBondContact O-N 3.21Å
165D86.6Confident92.9Very high88 Ų8836.9 Ų36.947%0.47119%0.194SC..THydrogen-bonded Turntrans-59.9-25.1-178.6-90.6-25.4000114.7R168 P169D165-R168 IonicContact OD1-CZ 2.86Å; D165-R168 IonicContact OD1-NH1 3.28Å; D165-R168 IonicContact OD1-NH2 3.97Å; D165-R168 PolarHBondContact OD1-NH2 3.3Å; D165-P169 WeakPolarHBondContact O-CD 3.4Å
166V88.3Confident92.9Very high96 Ų9638.9 Ų38.958%0.58220%0.203SC*.THydrogen-bonded Turntrans-81.7-42.3179.7-176.70000111.3L126 C164L126-V166 HydrophobicContact CD1-CG1 4.34Å; L126-V166 HydrophobicContact CD2-CG1 3.93Å; C164-V166 PolarHBondContact O-N 3.48Å; C164-V166 VanDerWaalsContact O-N 3.14Å
167A90.6Very high93Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-78.9-27.6-178.700000112.5K125 L129 I158 C164 K170 G171K125-A167 HydrophobicContact CD-CB 3.57Å; K125-A167 HydrophobicContact CG-CB 4.19Å; L129-A167 HydrophobicContact CD1-CB 4.46Å; I158-A167 HydrophobicContact CG2-CB 4.33Å; C164-A167 HydrophobicContact CB-CB 4.26Å; C164-A167 PolarHBondContact O-N 3.5Å; C164-A167 WeakPolarHBondContact SG-CB 3.38Å; A167-K170 PolarHBondContact O-N 2.76Å; A167-G171 PolarHBondContact O-N 3.48Å
168R93.2Very high93.2Very high9 Ų934.8 Ų34.83%0.03418%0.184CC..Hα-helixtrans-58.7-53.4-175.4-173.5-174.463.5-152.5-19.4113.1A159 Y162 C164 D165 K170 G171 F172 L207A159-R168 VanDerWaalsContact O-CD 3.27Å; A159-R168 WeakPolarHBondContact O-CD 3.33Å; A159-R168 WeakPolarHBondContact O-CG 3.35Å; Y162-R168 VanDerWaalsContact CE1-NH1 3.28Å; C164-R168 WeakPolarHBondContact O-CB 3.27Å; C164-R168 PolarHBondContact O-N 3.21Å; D165-R168 IonicContact OD1-CZ 2.86Å; D165-R168 IonicContact OD1-NH1 3.28Å; D165-R168 IonicContact OD1-NH2 3.97Å; D165-R168 PolarHBondContact OD1-NH2 3.3Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.46Å; R168-G171 PolarHBondContact O-N 2.89Å; R168-F172 PolarHBondContact O-N 3.22Å; R168-L207 HydrophobicContact CG-CD1 3.99Å
169P94.2Very high93.4Very high47 Ų4734.9 Ų34.931%0.30518%0.184SC..Hα-helixtrans-61.8-37.4177.3-22.334.4000112.8D165 F172 Y173 L207D165-P169 WeakPolarHBondContact O-CD 3.4Å; P169-F172 PolarHBondContact O-N 3.23Å; P169-Y173 WeakPolarHBondContact O-CB 3.31Å; P169-Y173 PolarHBondContact O-N 3.42Å; P169-L207 HydrophobicContact CB-CD2 3.96Å; P169-L207 HydrophobicContact CG-CD2 4.34Å
170K95.8Very high93.5Very high50 Ų5038.7 Ų38.722%0.21720%0.201CC..Hα-helixtrans-68.6-41.8178.2-165.570.7179.8175.80111.5L126 L129 E130 S133 A167 R168 F172 Y173 T174L126-K170 HydrophobicContact CD1-CB 3.77Å; L126-K170 HydrophobicContact CD1-CG 3.89Å; L129-K170 HydrophobicContact CB-CG 3.72Å; L129-K170 HydrophobicContact CD1-CB 4.29Å; L129-K170 HydrophobicContact CD1-CG 4.38Å; E130-K170 VanDerWaalsContact CA-CE 3.46Å; S133-K170 WeakPolarHBondContact OG-CE 3.46Å; S133-K170 PolarHBondContact OG-NZ 3.41Å; A167-K170 PolarHBondContact O-N 2.76Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.46Å; K170-F172 VanDerWaalsContact C-N 3.34Å; K170-F172 PolarHBondContact O-N 3Å; K170-Y173 PolarHBondContact O-N 3.1Å; K170-T174 WeakPolarHBondContact O-CB 3.44Å; K170-T174 PolarHBondContact O-N 2.85Å; K170-T174 PolarHBondContact O-OG1 3.43Å
171G96.9Very high93.7Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-61.6-41.8174.900000112.2A167 R168 T174 L175A167-G171 PolarHBondContact O-N 3.48Å; R168-G171 PolarHBondContact O-N 2.89Å; G171-T174 PolarHBondContact O-N 3.09Å; G171-L175 WeakPolarHBondContact O-CB 3.41Å; G171-L175 PolarHBondContact O-N 2.9Å
172F97.7Very high94Very high9 Ų938.3 Ų38.34%0.03921%0.207CC..Hα-helixtrans-62.4-48.2172.9179-91.8000112.1A159 R168 P169 K170 T174 L175 F176 L198 L201 L207 A210 M214A159-F172 HydrophobicContact CB-CB 4.04Å; A159-F172 HydrophobicContact CB-CD2 4.47Å; R168-F172 PolarHBondContact O-N 3.22Å; P169-F172 PolarHBondContact O-N 3.23Å; K170-F172 VanDerWaalsContact C-N 3.34Å; K170-F172 PolarHBondContact O-N 3Å; F172-T174 PolarHBondContact O-N 3.34Å; F172-L175 WeakPolarHBondContact O-CB 3.38Å; F172-L175 PolarHBondContact O-N 2.93Å; F172-L175 VanDerWaalsContact O-N 3.13Å; F172-F176 PolarHBondContact O-N 2.84Å; F172-L198 HydrophobicContact CE2-CD2 3.73Å; F172-L198 HydrophobicContact CZ-CD2 4.37Å; F172-L201 HydrophobicContact CD2-CD1 3.71Å; F172-L201 HydrophobicContact CE2-CD1 4.01Å; F172-L207 HydrophobicContact CB-CD1 4.21Å; F172-L207 HydrophobicContact CB-CD2 4.44Å; F172-L207 HydrophobicContact CD1-CD2 4.31Å; F172-L207 HydrophobicContact CG-CD1 4.43Å; F172-L207 HydrophobicContact CG-CD2 4.44Å; F172-A210 HydrophobicContact CD1-CB 4.44Å; F172-A210 HydrophobicContact CE1-CB 3.6Å; F172-A210 HydrophobicContact CZ-CB 4.22Å; F172-M214 HydrophobicContact CE2-SD 3.93Å; F172-M214 HydrophobicContact CZ-CB 4.05Å; F172-M214 HydrophobicContact CZ-SD 3.85Å
173Y97.4Very high94.5Very high91 Ų9137.9 Ų37.936%0.35721%0.208SC..Hα-helixtrans-61-43.6177.4175.4-103.3000111.9E137 P169 K170 L175 F176 C177E137-Y173 PolarHBondContact OE1-OH 3.3Å; P169-Y173 WeakPolarHBondContact O-CB 3.31Å; P169-Y173 PolarHBondContact O-N 3.42Å; K170-Y173 PolarHBondContact O-N 3.1Å; Y173-L175 VanDerWaalsContact C-N 3.29Å; Y173-L175 PolarHBondContact O-N 3.5Å; Y173-F176 WeakPolarHBondContact O-CB 3.29Å; Y173-F176 PolarHBondContact O-N 3.18Å; Y173-C177 PolarHBondContact O-N 3.01Å; Y173-C177 PolarHBondContact O-SG 3.49Å
174T98.4Very high95Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-61.5-38.3174.7-56.30000111.5L129 T132 L155 K170 G171 F172 C177 L178L129-T174 HydrophobicContact CD2-CG2 4.38Å; L129-T174 PolarHBondContact O-OG1 3Å; T132-T174 HydrophobicContact CG2-CG2 3.45Å; T132-T174 VanDerWaalsContact CG2-CG2 3.45Å; L155-T174 HydrophobicContact CD1-CG2 3.8Å; L155-T174 HydrophobicContact CD2-CG2 3.82Å; L155-T174 HydrophobicContact CG-CG2 4.49Å; K170-T174 WeakPolarHBondContact O-CB 3.44Å; K170-T174 PolarHBondContact O-N 2.85Å; K170-T174 PolarHBondContact O-OG1 3.43Å; G171-T174 PolarHBondContact O-N 3.09Å; F172-T174 PolarHBondContact O-N 3.34Å; T174-C177 PolarHBondContact O-N 3.45Å; T174-L178 VanDerWaalsContact O-CB 3.32Å; T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 PolarHBondContact O-N 3.39Å
175L98.4Very high95.7Very high1 Ų135.7 Ų35.71%0.00518%0.184CC..Hα-helixtrans-63.9-42.6174.5-175.255.9000111.5L155 M156 G171 F172 Y173 L178 C179 F189 M214L155-L175 HydrophobicContact CB-CB 3.95Å; L155-L175 HydrophobicContact CB-CD1 4.04Å; L155-L175 HydrophobicContact CB-CG 4.38Å; L155-L175 HydrophobicContact CD1-CB 4.34Å; L155-L175 HydrophobicContact CD1-CD1 4.44Å; M156-L175 HydrophobicContact CG-CD1 4.38Å; M156-L175 HydrophobicContact CG-CD2 3.71Å; G171-L175 WeakPolarHBondContact O-CB 3.41Å; G171-L175 PolarHBondContact O-N 2.9Å; F172-L175 WeakPolarHBondContact O-CB 3.38Å; F172-L175 PolarHBondContact O-N 2.93Å; F172-L175 VanDerWaalsContact O-N 3.13Å; Y173-L175 VanDerWaalsContact C-N 3.29Å; Y173-L175 PolarHBondContact O-N 3.5Å; L175-L178 WeakPolarHBondContact O-CB 3.42Å; L175-L178 PolarHBondContact O-N 3.22Å; L175-C179 PolarHBondContact O-N 3.45Å; L175-C179 VanDerWaalsContact O-N 3.1Å; L175-F189 HydrophobicContact CD1-CD2 4.14Å; L175-F189 HydrophobicContact CD1-CE2 4.37Å; L175-F189 HydrophobicContact CD2-CD2 4.5Å; L175-F189 HydrophobicContact CD2-CE2 3.92Å; L175-F189 HydrophobicContact CG-CE2 4.33Å; L175-M214 HydrophobicContact CG-CE 3.92Å
176F98.1Very high96.2Very high43 Ų4331.5 Ų31.519%0.18916%0.162CC..Hα-helixtrans-58.1-53.5173.3179.4-92.2000111.2F172 Y173 L178 C179 F180 I213 M214F172-F176 PolarHBondContact O-N 2.84Å; Y173-F176 WeakPolarHBondContact O-CB 3.29Å; Y173-F176 PolarHBondContact O-N 3.18Å; F176-L178 PolarHBondContact O-N 2.91Å; F176-C179 PolarHBondContact O-N 3.18Å; F176-C179 VanDerWaalsContact O-N 3.16Å; F176-F180 HydrophobicContact CE1-CB 4.27Å; F176-F180 AromaticContact CE1-CD2 3.82Å; F176-F180 HydrophobicContact CE1-CD2 3.82Å; F176-F180 HydrophobicContact CE1-CE2 4.39Å; F176-F180 HydrophobicContact CE1-CG 4.11Å; F176-F180 HydrophobicContact CE2-CD2 4.13Å; F176-F180 AromaticContact CZ-CD2 3.45Å; F176-F180 HydrophobicContact CZ-CD2 3.45Å; F176-F180 VanDerWaalsContact CZ-CD2 3.45Å; F176-F180 AromaticContact CZ-CE2 3.86Å; F176-F180 HydrophobicContact CZ-CE2 3.86Å; F176-F180 HydrophobicContact CZ-CG 4.2Å; F176-F180 VanDerWaalsContact O-CB 3.28Å; F176-F180 WeakPolarHBondContact O-CB 3.16Å; F176-F180 PolarHBondContact O-N 3.33Å; F176-I213 HydrophobicContact CE2-CG2 4.46Å; F176-M214 HydrophobicContact CB-CE 4.49Å; F176-M214 HydrophobicContact CB-SD 3.96Å; F176-M214 HydrophobicContact CD2-CB 3.78Å; F176-M214 HydrophobicContact CD2-CG 3.77Å; F176-M214 HydrophobicContact CD2-SD 4.02Å; F176-M214 HydrophobicContact CE2-CB 4.24Å; F176-M214 HydrophobicContact CE2-CG 4.46Å
177C98.3Very high96.6Very high5 Ų529.5 Ų29.53%0.03415%0.146CC..Hα-helixtrans-59.5-31.9177.9-62.20000112.7V136 Q143 Y173 T174V136-C177 HydrophobicContact CG2-CB 3.7Å; Q143-C177 PolarHBondContact NE2-O 3.4Å; Y173-C177 PolarHBondContact O-N 3.01Å; Y173-C177 PolarHBondContact O-SG 3.49Å; T174-C177 PolarHBondContact O-N 3.45Å
178L98.4Very high96.9Very high2 Ų229.6 Ų29.61%0.0115%0.147CC..Hα-helixtrans-67.8-42.8177.5-178.759000111.8V136 Q143 F146 F151 I152 L155 T174 L175 F176 V185V136-L178 HydrophobicContact CG1-CD1 4.33Å; Q143-L178 HydrophobicContact CB-CD1 4.04Å; Q143-L178 HydrophobicContact CG-CD1 4.39Å; Q143-L178 WeakPolarHBondContact CG-O 3.48Å; Q143-L178 WeakPolarHBondContact O-CD1 3.42Å; F146-L178 HydrophobicContact CB-CD1 3.82Å; F151-L178 HydrophobicContact CB-CD2 3.92Å; I152-L178 HydrophobicContact CG1-CD2 3.82Å; L155-L178 HydrophobicContact CD1-CD2 3.78Å; T174-L178 VanDerWaalsContact O-CB 3.32Å; T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 PolarHBondContact O-N 3.39Å; L175-L178 WeakPolarHBondContact O-CB 3.42Å; L175-L178 PolarHBondContact O-N 3.22Å; F176-L178 PolarHBondContact O-N 2.91Å; L178-V185 HydrophobicContact CD1-CG1 4.3Å; L178-V185 HydrophobicContact CG-CG1 3.89Å; L178-V185 WeakPolarHBondContact O-CG1 3.34Å
179C98.3Very high97.1Very high2 Ų229.2 Ų29.21%0.01415%0.145CC..Hα-helixtrans-84-30.7-177.6-64.70000113.7L175 F176 G181 N182 S186 M214 I218L175-C179 PolarHBondContact O-N 3.45Å; L175-C179 VanDerWaalsContact O-N 3.1Å; F176-C179 PolarHBondContact O-N 3.18Å; F176-C179 VanDerWaalsContact O-N 3.16Å; C179-G181 PolarHBondContact O-N 3.05Å; C179-N182 PolarHBondContact O-N 3.3Å; C179-N182 VanDerWaalsContact O-N 3.11Å; C179-S186 PolarHBondContact O-OG 2.94Å; C179-M214 HydrophobicContact CB-CE 4.01Å; C179-I218 HydrophobicContact CB-CD1 4.3Å
180F96.4Very high97.2Very high80 Ų8027 Ų2735%0.35113%0.131SC..THydrogen-bonded Turntrans-58.3124.7-168.6-171.2-101.8000112.8Q143 F176 N182 K217Q143-F180 PolarHBondContact NE2-O 2.95Å; F176-F180 HydrophobicContact CE1-CB 4.27Å; F176-F180 AromaticContact CE1-CD2 3.82Å; F176-F180 HydrophobicContact CE1-CD2 3.82Å; F176-F180 HydrophobicContact CE1-CE2 4.39Å; F176-F180 HydrophobicContact CE1-CG 4.11Å; F176-F180 HydrophobicContact CE2-CD2 4.13Å; F176-F180 AromaticContact CZ-CD2 3.45Å; F176-F180 HydrophobicContact CZ-CD2 3.45Å; F176-F180 VanDerWaalsContact CZ-CD2 3.45Å; F176-F180 AromaticContact CZ-CE2 3.86Å; F176-F180 HydrophobicContact CZ-CE2 3.86Å; F176-F180 HydrophobicContact CZ-CG 4.2Å; F176-F180 VanDerWaalsContact O-CB 3.28Å; F176-F180 WeakPolarHBondContact O-CB 3.16Å; F176-F180 PolarHBondContact O-N 3.33Å; F180-N182 PolarHBondContact O-N 2.73Å; F180-K217 HydrophobicContact CE2-CD 4.08Å; F180-K217 HydrophobicContact CE2-CG 4.32Å
181G95.6Very high97.2Very high41 Ų4126.8 Ų26.842%0.42313%0.131SC..THydrogen-bonded Turntrans68.910.7178.400000115.2Q140 C179Q140-G181 PolarHBondContact NE2-O 3.3Å; C179-G181 PolarHBondContact O-N 3.05Å
182N97.1Very high97.1Very high3 Ų327.3 Ų27.32%0.01613%0.134CC..  trans-123103.7179.3-171.3-32.7000111.5Q140 Q143 N144 C179 F180 H184 V185 S186Q140-N182 HydrophobicContact CG-CB 4.4Å; Q143-N182 PolarHBondContact OE1-ND2 3.1Å; N144-N182 PolarHBondContact OD1-ND2 3.22Å; C179-N182 PolarHBondContact O-N 3.3Å; C179-N182 VanDerWaalsContact O-N 3.11Å; F180-N182 PolarHBondContact O-N 2.73Å; N182-H184 PolarHBondContact O-N 3.02Å; N182-H184 PolarHBondContact OD1-N 3.26Å; N182-V185 HydrophobicContact CB-CB 4.1Å; N182-V185 HydrophobicContact CB-CG2 4.28Å; N182-V185 VanDerWaalsContact CG-CG2 3.47Å; N182-V185 WeakPolarHBondContact ND2-CG2 3.44Å; N182-V185 PolarHBondContact O-N 3.16Å; N182-V185 PolarHBondContact OD1-N 2.93Å; N182-V185 VanDerWaalsContact OD1-N 3.16Å; N182-S186 WeakPolarHBondContact O-CB 3.29Å; N182-S186 PolarHBondContact O-N 3.41Å; N182-S186 PolarHBondContact O-OG 3.28Å
183K96.3Very high96.9Very high103 Ų10330.7 Ų30.745%0.44815%0.152SC..Hα-helixtrans-59.2-47-174.9-172.8178.3179.9173.90111.7V185 S186 Q187 L221 V222K183-V185 PolarHBondContact O-N 2.89Å; K183-S186 PolarHBondContact O-N 3.06Å; K183-Q187 VanDerWaalsContact O-CG 3.3Å; K183-Q187 WeakPolarHBondContact O-CG 3.44Å; K183-Q187 PolarHBondContact O-N 2.85Å; K183-L221 HydrophobicContact CB-CD1 4.41Å; K183-L221 HydrophobicContact CB-CG 4.26Å; K183-V222 HydrophobicContact CG-CG1 3.68Å
184H95.3Very high96.9Very high79 Ų7926.3 Ų26.337%0.36614%0.135SC..Hα-helixtrans-65.8-42.5-177.1-62.9-76.4000112.3F16 D19 N182 S186 Q187 L188F16-H184 HydrophobicContact CD2-CB 3.83Å; F16-H184 HydrophobicContact CE2-CB 4.16Å; D19-H184 IonicContact OD2-CE1 3.64Å; D19-H184 IonicContact OD2-ND1 3.8Å; N182-H184 PolarHBondContact O-N 3.02Å; N182-H184 PolarHBondContact OD1-N 3.26Å; H184-S186 VanDerWaalsContact C-N 3.33Å; H184-Q187 PolarHBondContact O-N 3.5Å; H184-L188 WeakPolarHBondContact O-CG 3.34Å; H184-L188 PolarHBondContact O-N 3.1Å
185V97.8Very high96.8Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-68-36.1177.21780000111.2F16 Q143 A147 I152 L178 N182 K183 L188 F189F16-V185 HydrophobicContact CE2-CG2 4.37Å; Q143-V185 HydrophobicContact CB-CG2 4.41Å; A147-V185 HydrophobicContact CB-CG1 4.31Å; A147-V185 HydrophobicContact CB-CG2 3.81Å; I152-V185 HydrophobicContact CD1-CG1 3.95Å; I152-V185 HydrophobicContact CG1-CG1 4.36Å; L178-V185 HydrophobicContact CD1-CG1 4.3Å; L178-V185 HydrophobicContact CG-CG1 3.89Å; L178-V185 WeakPolarHBondContact O-CG1 3.34Å; N182-V185 HydrophobicContact CB-CB 4.1Å; N182-V185 HydrophobicContact CB-CG2 4.28Å; N182-V185 VanDerWaalsContact CG-CG2 3.47Å; N182-V185 WeakPolarHBondContact ND2-CG2 3.44Å; N182-V185 PolarHBondContact O-N 3.16Å; N182-V185 PolarHBondContact OD1-N 2.93Å; N182-V185 VanDerWaalsContact OD1-N 3.16Å; K183-V185 PolarHBondContact O-N 2.89Å; V185-L188 PolarHBondContact O-N 3.27Å; V185-F189 PolarHBondContact O-N 2.95Å
186S97.8Very high96.6Very high1 Ų130.8 Ų30.81%0.00716%0.158CC..Hα-helixtrans-66.1-38.8174-64.30000112.5C179 N182 K183 H184 F189 C190C179-S186 PolarHBondContact O-OG 2.94Å; N182-S186 WeakPolarHBondContact O-CB 3.29Å; N182-S186 PolarHBondContact O-N 3.41Å; N182-S186 PolarHBondContact O-OG 3.28Å; K183-S186 PolarHBondContact O-N 3.06Å; H184-S186 VanDerWaalsContact C-N 3.33Å; S186-F189 WeakPolarHBondContact O-CB 3.04Å; S186-F189 PolarHBondContact O-N 3.03Å; S186-C190 PolarHBondContact O-N 3.4Å; S186-C190 PolarHBondContact O-SG 3.26Å; S186-C190 VanDerWaalsContact O-SG 3.38Å
187Q96.8Very high96.4Very high54 Ų5431.2 Ų31.225%0.25216%0.159SC..Hα-helixtrans-60.1-49.8171.5-70.3173.2-3100110.9K183 H184 F189 C190 E191 V222 Q224 Y225K183-Q187 VanDerWaalsContact O-CG 3.3Å; K183-Q187 WeakPolarHBondContact O-CG 3.44Å; K183-Q187 PolarHBondContact O-N 2.85Å; H184-Q187 PolarHBondContact O-N 3.5Å; Q187-F189 PolarHBondContact O-N 2.92Å; Q187-C190 WeakPolarHBondContact O-CB 3.17Å; Q187-C190 PolarHBondContact O-N 3.11Å; Q187-C190 VanDerWaalsContact O-N 3.1Å; Q187-E191 WeakPolarHBondContact O-CG 3.47Å; Q187-E191 PolarHBondContact O-N 2.89Å; Q187-V222 HydrophobicContact CG-CB 4.47Å; Q187-V222 HydrophobicContact CG-CG1 3.64Å; Q187-Q224 VanDerWaalsContact NE2-NE2 3.16Å; Q187-Y225 HydrophobicContact CB-CE2 4.28Å; Q187-Y225 HydrophobicContact CG-CE2 4.03Å
188L96.8Very high96.4Very high2 Ų231.1 Ų31.11%0.0116%0.158CC..Hα-helixtrans-57.8-37.6176.6-71.1178.9000112.9Y9 A12 F16 A147 I152 H184 V185 E191 C192Y9-L188 HydrophobicContact CE2-CB 4.22Å; Y9-L188 HydrophobicContact CE2-CD2 4.46Å; A12-L188 HydrophobicContact CB-CD2 3.83Å; F16-L188 HydrophobicContact CB-CD1 4.05Å; F16-L188 HydrophobicContact CB-CD2 4.14Å; F16-L188 HydrophobicContact CB-CG 4.31Å; F16-L188 HydrophobicContact CD1-CD1 3.67Å; F16-L188 HydrophobicContact CD2-CD1 3.99Å; F16-L188 HydrophobicContact CE1-CD1 4.01Å; F16-L188 HydrophobicContact CE2-CD1 4.3Å; F16-L188 HydrophobicContact CG-CD1 3.63Å; F16-L188 HydrophobicContact CG-CG 4.37Å; F16-L188 HydrophobicContact CZ-CD1 4.28Å; A147-L188 HydrophobicContact CB-CD1 4.3Å; I152-L188 HydrophobicContact CD1-CB 3.43Å; I152-L188 VanDerWaalsContact CD1-CB 3.43Å; I152-L188 HydrophobicContact CD1-CD1 4.05Å; I152-L188 HydrophobicContact CD1-CG 4.42Å; H184-L188 WeakPolarHBondContact O-CG 3.34Å; H184-L188 PolarHBondContact O-N 3.1Å; V185-L188 PolarHBondContact O-N 3.27Å; L188-E191 PolarHBondContact O-N 3.16Å; L188-C192 WeakPolarHBondContact O-CB 3.13Å; L188-C192 PolarHBondContact O-N 3.5Å
189F97.9Very high96.2Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-62.5-47.8174.8170.6-98.5000111.8I152 M156 L175 V185 S186 Q187 E191 C192 G194 L198 M214 I218I152-F189 HydrophobicContact CG2-CB 4.23Å; I152-F189 HydrophobicContact CG2-CD2 4.15Å; M156-F189 HydrophobicContact CE-CE2 4.38Å; M156-F189 HydrophobicContact CG-CD2 4.3Å; M156-F189 HydrophobicContact CG-CE2 3.99Å; M156-F189 HydrophobicContact SD-CD2 3.9Å; M156-F189 HydrophobicContact SD-CE2 3.9Å; L175-F189 HydrophobicContact CD1-CD2 4.14Å; L175-F189 HydrophobicContact CD1-CE2 4.37Å; L175-F189 HydrophobicContact CD2-CD2 4.5Å; L175-F189 HydrophobicContact CD2-CE2 3.92Å; L175-F189 HydrophobicContact CG-CE2 4.33Å; V185-F189 PolarHBondContact O-N 2.95Å; S186-F189 WeakPolarHBondContact O-CB 3.04Å; S186-F189 PolarHBondContact O-N 3.03Å; Q187-F189 PolarHBondContact O-N 2.92Å; F189-E191 VanDerWaalsContact C-N 3.34Å; F189-E191 PolarHBondContact O-N 3.29Å; F189-C192 WeakPolarHBondContact O-CB 3.47Å; F189-C192 PolarHBondContact O-N 3.43Å; F189-C192 VanDerWaalsContact O-N 3.08Å; F189-G194 VanDerWaalsContact CE1-C 3.42Å; F189-G194 VanDerWaalsContact CE2-CA 3.47Å; F189-G194 WeakPolarHBondContact CZ-O 3.48Å; F189-G194 VanDerWaalsContact O-CA 3.24Å; F189-G194 WeakPolarHBondContact O-CA 3.44Å; F189-G194 PolarHBondContact O-N 2.82Å; F189-L198 HydrophobicContact CE1-CD1 3.71Å; F189-L198 HydrophobicContact CE1-CG 4.15Å; F189-L198 HydrophobicContact CZ-CD1 3.8Å; F189-L198 HydrophobicContact CZ-CD2 4.14Å; F189-L198 HydrophobicContact CZ-CG 3.75Å; F189-M214 HydrophobicContact CE2-CE 4.49Å; F189-M214 HydrophobicContact CZ-CE 4.35Å; F189-I218 HydrophobicContact CD1-CD1 3.47Å; F189-I218 VanDerWaalsContact CD1-CD1 3.47Å; F189-I218 HydrophobicContact CD1-CG2 4.48Å; F189-I218 HydrophobicContact CE1-CD1 3.44Å; F189-I218 VanDerWaalsContact CE1-CD1 3.44Å; F189-I218 HydrophobicContact CG-CD1 4.33Å; F189-I218 HydrophobicContact CZ-CD1 4.31Å
190C96.8Very high96Very high2 Ų237.2 Ų37.21%0.01418%0.182CC..Hα-helixtrans-58.6-44.9175.6-66.90000111.8S186 Q187 C192 N193 I195 Y225S186-C190 PolarHBondContact O-N 3.4Å; S186-C190 PolarHBondContact O-SG 3.26Å; S186-C190 VanDerWaalsContact O-SG 3.38Å; Q187-C190 WeakPolarHBondContact O-CB 3.17Å; Q187-C190 PolarHBondContact O-N 3.11Å; Q187-C190 VanDerWaalsContact O-N 3.1Å; C190-C192 PolarHBondContact O-N 3.32Å; C190-N193 PolarHBondContact O-N 3.24Å; C190-I195 HydrophobicContact CB-CD1 4.48Å; C190-Y225 HydrophobicContact CB-CD1 3.57Å; C190-Y225 HydrophobicContact CB-CD2 3.83Å; C190-Y225 HydrophobicContact CB-CE1 3.51Å; C190-Y225 HydrophobicContact CB-CE2 3.75Å; C190-Y225 HydrophobicContact CB-CG 3.74Å
191E95.2Very high95.8Very high45 Ų4533.4 Ų33.421%0.2117%0.166CC..Hα-helixtrans-67.8-15.6177.4-62.5-62.6160.200113.8A12 Q187 L188 F189 N193 Y225A12-E191 HydrophobicContact CB-CB 3.99Å; A12-E191 HydrophobicContact CB-CG 3.69Å; Q187-E191 WeakPolarHBondContact O-CG 3.47Å; Q187-E191 PolarHBondContact O-N 2.89Å; L188-E191 PolarHBondContact O-N 3.16Å; F189-E191 VanDerWaalsContact C-N 3.34Å; F189-E191 PolarHBondContact O-N 3.29Å; E191-N193 VanDerWaalsContact C-N 3.26Å; E191-Y225 WeakPolarHBondContact CG-OH 3.3Å; E191-Y225 VanDerWaalsContact OE1-CE1 3.27Å; E191-Y225 WeakPolarHBondContact OE1-CE1 3.47Å; E191-Y225 PolarHBondContact OE1-OH 3.13Å
192C94.5Very high95.7Very high11 Ų1131.6 Ų31.67%0.07415%0.146CC..THydrogen-bonded Turntrans-88.517.3171.2-157.60000112.8Y9 I152 M156 L188 F189 C190 G194Y9-C192 HydrophobicContact CD2-CB 3.73Å; Y9-C192 HydrophobicContact CE2-CB 4.34Å; I152-C192 HydrophobicContact CG2-CB 4.13Å; M156-C192 HydrophobicContact CE-CB 4.5Å; M156-C192 WeakPolarHBondContact CE-O 3.38Å; M156-C192 HydrophobicContact SD-CB 3.83Å; L188-C192 WeakPolarHBondContact O-CB 3.13Å; L188-C192 PolarHBondContact O-N 3.5Å; F189-C192 WeakPolarHBondContact O-CB 3.47Å; F189-C192 PolarHBondContact O-N 3.43Å; F189-C192 VanDerWaalsContact O-N 3.08Å; C190-C192 PolarHBondContact O-N 3.32Å; C192-G194 VanDerWaalsContact C-N 3.28Å; C192-G194 PolarHBondContact O-N 3.29Å
193N94.4Very high95.2Very high79 Ų7937.7 Ų37.742%0.42218%0.179SC..THydrogen-bonded Turntrans59.835.2-169.8-65.1-21.2000113.3C190 E191 I195 K197C190-N193 PolarHBondContact O-N 3.24Å; E191-N193 VanDerWaalsContact C-N 3.26Å; N193-I195 VanDerWaalsContact C-N 3.33Å; N193-I195 PolarHBondContact O-N 3.26Å; N193-K197 PolarHBondContact O-N 3.4Å
194G96.8Very high94.8Very high0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-61.4-36.1-17900000114.2F189 C192 K197 L198F189-G194 VanDerWaalsContact CE1-C 3.42Å; F189-G194 VanDerWaalsContact CE2-CA 3.47Å; F189-G194 WeakPolarHBondContact CZ-O 3.48Å; F189-G194 VanDerWaalsContact O-CA 3.24Å; F189-G194 WeakPolarHBondContact O-CA 3.44Å; F189-G194 PolarHBondContact O-N 2.82Å; C192-G194 VanDerWaalsContact C-N 3.28Å; C192-G194 PolarHBondContact O-N 3.29Å; G194-K197 WeakPolarHBondContact O-CA 3.18Å; G194-K197 VanDerWaalsContact O-CB 3.3Å; G194-K197 WeakPolarHBondContact O-CB 3.24Å; G194-K197 PolarHBondContact O-N 3.13Å; G194-K197 VanDerWaalsContact O-N 3.15Å; G194-L198 WeakPolarHBondContact O-CG 3.36Å; G194-L198 PolarHBondContact O-N 3.46Å
195I96.2Very high94.2Very high1 Ų138.2 Ų38.21%0.00519%0.189CC..Hα-helixtrans-63.9-55.8-179.2-66.1165.6000111C190 N193 K197 L198 L199 L215 L219 A229 Q232C190-I195 HydrophobicContact CB-CD1 4.48Å; N193-I195 VanDerWaalsContact C-N 3.33Å; N193-I195 PolarHBondContact O-N 3.26Å; I195-K197 PolarHBondContact O-N 3.24Å; I195-K197 VanDerWaalsContact O-N 3.1Å; I195-L198 PolarHBondContact O-N 3.43Å; I195-L199 HydrophobicContact CG2-CD1 4.18Å; I195-L199 HydrophobicContact CG2-CG 4.47Å; I195-L199 WeakPolarHBondContact O-CG 3.33Å; I195-L199 PolarHBondContact O-N 3.07Å; I195-L215 HydrophobicContact CG1-CD1 4.25Å; I195-L215 HydrophobicContact CG2-CD1 4.02Å; I195-L219 HydrophobicContact CD1-CD2 4.18Å; I195-A229 HydrophobicContact CD1-CB 4.29Å; I195-A229 HydrophobicContact CG2-CB 3.87Å; I195-Q232 VanDerWaalsContact CB-OE1 3.28Å; I195-Q232 VanDerWaalsContact CG2-OE1 3.28Å
196M93.9Very high93.7Very high94 Ų9445.2 Ų45.246%0.46322%0.219SC..Hα-helixtrans-49.5-38.4171.1-78.8-51.5-71.700112.5L199 Y200 Q232M196-L199 PolarHBondContact O-N 2.82Å; M196-L199 HydrophobicContact SD-CD1 4.31Å; M196-Y200 WeakPolarHBondContact O-CB 3.36Å; M196-Y200 PolarHBondContact O-N 2.98Å; M196-Q232 HydrophobicContact CG-CB 4.45Å; M196-Q232 HydrophobicContact CG-CG 4.17Å; M196-Q232 VanDerWaalsContact CG-OE1 3.24Å; M196-Q232 HydrophobicContact SD-CB 3.73Å; M196-Q232 HydrophobicContact SD-CG 4.03Å
197K94.9Very high93.4Very high52 Ų5245.6 Ų45.623%0.22622%0.221CC..Hα-helixtrans-65.4-42.3179.2-174.861.967.4-1790112.1M156 S160 N193 G194 I195 Y200 L201M156-K197 HydrophobicContact CE-CB 3.69Å; M156-K197 HydrophobicContact CE-CG 3.95Å; S160-K197 WeakPolarHBondContact OG-CD 3.42Å; S160-K197 WeakPolarHBondContact OG-CE 3.4Å; S160-K197 PolarHBondContact OG-NZ 3.29Å; N193-K197 PolarHBondContact O-N 3.4Å; G194-K197 WeakPolarHBondContact O-CA 3.18Å; G194-K197 VanDerWaalsContact O-CB 3.3Å; G194-K197 WeakPolarHBondContact O-CB 3.24Å; G194-K197 PolarHBondContact O-N 3.13Å; G194-K197 VanDerWaalsContact O-N 3.15Å; I195-K197 PolarHBondContact O-N 3.24Å; I195-K197 VanDerWaalsContact O-N 3.1Å; K197-Y200 PolarHBondContact O-N 3.42Å; K197-L201 HydrophobicContact CG-CD1 4.38Å; K197-L201 WeakPolarHBondContact O-CG 3.44Å; K197-L201 PolarHBondContact O-N 3.37Å
198L97.2Very high93.3Very high2 Ų243 Ų431%0.0121%0.209CC..Hα-helixtrans-67.3-41.1175.6-64.5176.1000111.8F172 F189 G194 I195 Y200 L201 A202 S211 M214 L215 I218F172-L198 HydrophobicContact CE2-CD2 3.73Å; F172-L198 HydrophobicContact CZ-CD2 4.37Å; F189-L198 HydrophobicContact CE1-CD1 3.71Å; F189-L198 HydrophobicContact CE1-CG 4.15Å; F189-L198 HydrophobicContact CZ-CD1 3.8Å; F189-L198 HydrophobicContact CZ-CD2 4.14Å; F189-L198 HydrophobicContact CZ-CG 3.75Å; G194-L198 WeakPolarHBondContact O-CG 3.36Å; G194-L198 PolarHBondContact O-N 3.46Å; I195-L198 PolarHBondContact O-N 3.43Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-Y200 PolarHBondContact O-N 3.17Å; L198-L201 CarbonylContact O-C 3.49Å; L198-L201 PolarHBondContact O-N 3.05Å; L198-L201 VanDerWaalsContact O-N 3.11Å; L198-A202 WeakPolarHBondContact O-CB 3.48Å; L198-A202 PolarHBondContact O-N 2.63Å; L198-S211 VanDerWaalsContact C-OG 3.27Å; L198-S211 WeakPolarHBondContact CA-OG 3.34Å; L198-S211 WeakPolarHBondContact CB-OG 3.33Å; L198-S211 WeakPolarHBondContact CD2-OG 3.45Å; L198-S211 PolarHBondContact O-OG 3.16Å; L198-M214 HydrophobicContact CD1-CB 4.23Å; L198-M214 HydrophobicContact CD1-CG 3.92Å; L198-M214 HydrophobicContact CD2-CB 4.16Å; L198-M214 HydrophobicContact CD2-CG 4.02Å; L198-M214 HydrophobicContact CD2-SD 3.81Å; L198-L215 HydrophobicContact CB-CB 4.35Å; L198-L215 HydrophobicContact CD1-CB 3.84Å; L198-L215 HydrophobicContact CD1-CD1 4.15Å; L198-I218 HydrophobicContact CD1-CD1 4.23Å
199L94.6Very high93.2Very high6 Ų643.8 Ų43.83%0.03122%0.215CC..Hα-helixtrans-59.4-41.8175.9-66175.1000111.6I195 M196 A202 L215 A234 V237 L238I195-L199 HydrophobicContact CG2-CD1 4.18Å; I195-L199 HydrophobicContact CG2-CG 4.47Å; I195-L199 WeakPolarHBondContact O-CG 3.33Å; I195-L199 PolarHBondContact O-N 3.07Å; M196-L199 PolarHBondContact O-N 2.82Å; M196-L199 HydrophobicContact SD-CD1 4.31Å; L199-A202 VanDerWaalsContact O-CB 3.32Å; L199-A202 WeakPolarHBondContact O-CB 3.46Å; L199-A202 PolarHBondContact O-N 3.19Å; L199-L215 HydrophobicContact CD2-CD2 3.88Å; L199-A234 HydrophobicContact CD1-CB 3.8Å; L199-A234 HydrophobicContact CD2-CB 3.81Å; L199-A234 HydrophobicContact CG-CB 4.38Å; L199-V237 HydrophobicContact CB-CG1 4.22Å; L199-V237 HydrophobicContact CD2-CB 4.32Å; L199-V237 HydrophobicContact CD2-CG1 4.23Å; L199-L238 HydrophobicContact CD2-CD2 4.46Å; L199-L238 HydrophobicContact CD2-CG 4.23Å
200Y93.1Very high93.1Very high126 Ų12645.6 Ų45.649%0.49423%0.23SC..Hα-helixtrans-64.4-39.9174.2178.4-98000112.9Y162 M196 K197 L198 A202Y162-Y200 AromaticContact CE2-CE1 3.71Å; Y162-Y200 HydrophobicContact CE2-CE1 3.71Å; Y162-Y200 AromaticContact CE2-CZ 3.88Å; Y162-Y200 WeakPolarHBondContact CE2-OH 3.45Å; Y162-Y200 AromaticContact CZ-CE1 3.9Å; Y162-Y200 WeakPolarHBondContact OH-CE1 3.15Å; Y162-Y200 PolarHBondContact OH-OH 3.33Å; Y162-Y200 VanDerWaalsContact OH-OH 3.12Å; M196-Y200 WeakPolarHBondContact O-CB 3.36Å; M196-Y200 PolarHBondContact O-N 2.98Å; K197-Y200 PolarHBondContact O-N 3.42Å; L198-Y200 VanDerWaalsContact C-N 3.28Å; L198-Y200 PolarHBondContact O-N 3.17Å; Y200-A202 VanDerWaalsContact C-N 3.29Å; Y200-A202 PolarHBondContact O-N 3.13Å
201L93.4Very high93.1Very high1 Ų145.5 Ų45.51%0.00523%0.23CC..Hα-helixtrans-74.6-18.1176.6-68.5174000113.4A159 F172 K197 L198 D203 N204 L207 G208A159-L201 HydrophobicContact CB-CD1 4.22Å; A159-L201 WeakPolarHBondContact O-CD2 3.5Å; F172-L201 HydrophobicContact CD2-CD1 3.71Å; F172-L201 HydrophobicContact CE2-CD1 4.01Å; K197-L201 HydrophobicContact CG-CD1 4.38Å; K197-L201 WeakPolarHBondContact O-CG 3.44Å; K197-L201 PolarHBondContact O-N 3.37Å; L198-L201 CarbonylContact O-C 3.49Å; L198-L201 PolarHBondContact O-N 3.05Å; L198-L201 VanDerWaalsContact O-N 3.11Å; L201-D203 PolarHBondContact O-N 2.9Å; L201-N204 WeakPolarHBondContact O-CB 3.28Å; L201-N204 PolarHBondContact O-N 2.9Å; L201-L207 HydrophobicContact CD2-CD1 4.42Å; L201-G208 WeakPolarHBondContact O-CA 3.38Å
202A92.9Very high93.2Very high2 Ų243.4 Ų43.42%0.01722%0.22CC..Hα-helixtrans-63.3-31.8179.200000111.7L198 L199 Y200 N204 G208 L241 H250L198-A202 WeakPolarHBondContact O-CB 3.48Å; L198-A202 PolarHBondContact O-N 2.63Å; L199-A202 VanDerWaalsContact O-CB 3.32Å; L199-A202 WeakPolarHBondContact O-CB 3.46Å; L199-A202 PolarHBondContact O-N 3.19Å; Y200-A202 VanDerWaalsContact C-N 3.29Å; Y200-A202 PolarHBondContact O-N 3.13Å; A202-N204 PolarHBondContact O-N 3.16Å; A202-G208 VanDerWaalsContact O-CA 3.22Å; A202-G208 WeakPolarHBondContact O-CA 3.32Å; A202-L241 HydrophobicContact CB-CD2 3.52Å; A202-H250 PolarHBondContact O-CE1 3.38Å; A202-H250 PolarHBondContact O-NE2 3.23Å; A202-H250 VanDerWaalsContact O-NE2 3.17Å
203D87.5Confident93.3Very high131 Ų13145.2 Ų45.270%0.70123%0.229SC*.THydrogen-bonded Turntrans-76.5-2175.7-161.832.4000113.4L201L201-D203 PolarHBondContact O-N 2.9Å
204N86.9Confident93.5Very high21 Ų2141.5 Ų41.511%0.11221%0.209CC..  trans-83.3127.9178.9-172.1-86.1000112L201 A202 K206 L207 G208L201-N204 WeakPolarHBondContact O-CB 3.28Å; L201-N204 PolarHBondContact O-N 2.9Å; A202-N204 PolarHBondContact O-N 3.16Å; N204-K206 VanDerWaalsContact C-N 3.25Å; N204-K206 PolarHBondContact O-N 2.93Å; N204-K206 VanDerWaalsContact O-N 3.13Å; N204-K206 WeakPolarHBondContact OD1-CA 3.45Å; N204-K206 WeakPolarHBondContact OD1-CB 3.47Å; N204-K206 PolarHBondContact OD1-N 3.44Å; N204-L207 HydrophobicContact CB-CB 4.26Å; N204-L207 PolarHBondContact O-N 2.93Å; N204-L207 PolarHBondContact OD1-N 3.37Å; N204-G208 VanDerWaalsContact O-CA 3.26Å; N204-G208 WeakPolarHBondContact O-CA 3.29Å; N204-G208 PolarHBondContact O-N 3.4Å
205L82.2Confident93.5Very high173 Ų17341.6 Ų41.691%0.90621%0.209SC*.THydrogen-bonded Turntrans-57.1-31.6179-67175.3000114.9
206K86.8Confident93.6Very high146 Ų14642.2 Ų42.264%0.63521%0.214SC*.THydrogen-bonded Turntrans-93.4-32-177.2-66.7-178.2179.51750113.3N204N204-K206 VanDerWaalsContact C-N 3.25Å; N204-K206 PolarHBondContact O-N 2.93Å; N204-K206 VanDerWaalsContact O-N 3.13Å; N204-K206 WeakPolarHBondContact OD1-CA 3.45Å; N204-K206 WeakPolarHBondContact OD1-CB 3.47Å; N204-K206 PolarHBondContact OD1-N 3.44Å
207L92.7Very high93.7Very high9 Ų941.8 Ų41.85%0.04721%0.21CC..THydrogen-bonded Turntrans-110.3-10.2-172.6-59.6-179000113.5R168 P169 F172 L201 N204 A209 A210 S211R168-L207 HydrophobicContact CG-CD1 3.99Å; P169-L207 HydrophobicContact CB-CD2 3.96Å; P169-L207 HydrophobicContact CG-CD2 4.34Å; F172-L207 HydrophobicContact CB-CD1 4.21Å; F172-L207 HydrophobicContact CB-CD2 4.44Å; F172-L207 HydrophobicContact CD1-CD2 4.31Å; F172-L207 HydrophobicContact CG-CD1 4.43Å; F172-L207 HydrophobicContact CG-CD2 4.44Å; L201-L207 HydrophobicContact CD2-CD1 4.42Å; N204-L207 HydrophobicContact CB-CB 4.26Å; N204-L207 PolarHBondContact O-N 2.93Å; N204-L207 PolarHBondContact OD1-N 3.37Å; L207-A209 PolarHBondContact O-N 3.25Å; L207-A210 CarbonylContact O-C 3.59Å; L207-A210 PolarHBondContact O-N 2.95Å; L207-S211 WeakPolarHBondContact O-CB 3.35Å; L207-S211 PolarHBondContact O-N 3.37Å
208G93.8Very high93.9Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-62.6-48.4-166.300000113.9L201 A202 N204 A210 S211 C212 H250L201-G208 WeakPolarHBondContact O-CA 3.38Å; A202-G208 VanDerWaalsContact O-CA 3.22Å; A202-G208 WeakPolarHBondContact O-CA 3.32Å; N204-G208 VanDerWaalsContact O-CA 3.26Å; N204-G208 WeakPolarHBondContact O-CA 3.29Å; N204-G208 PolarHBondContact O-N 3.4Å; G208-A210 VanDerWaalsContact C-N 3.32Å; G208-A210 PolarHBondContact O-N 3.48Å; G208-S211 VanDerWaalsContact O-CB 3.3Å; G208-S211 WeakPolarHBondContact O-CB 3.42Å; G208-S211 PolarHBondContact O-N 3.41Å; G208-S211 VanDerWaalsContact O-N 3.11Å; G208-C212 PolarHBondContact O-N 2.89Å; G208-C212 PolarHBondContact O-SG 3.17Å; G208-H250 VanDerWaalsContact CA-CE1 3.46Å; G208-H250 WeakPolarHBondContact CA-CE1 3.35Å; G208-H250 WeakPolarHBondContact CA-NE2 3.47Å; G208-H250 PolarHBondContact O-NE2 3.41Å
209A94.5Very high93.8Very high18 Ų1839.5 Ų39.515%0.14920%0.2CC..Hα-helixtrans-60.2-43.9176.300000111.6L207 S211 C212 I213 Y249 H250L207-A209 PolarHBondContact O-N 3.25Å; A209-S211 VanDerWaalsContact C-N 3.29Å; A209-S211 PolarHBondContact O-N 2.78Å; A209-C212 PolarHBondContact O-N 3.23Å; A209-I213 VanDerWaalsContact O-CG1 3.29Å; A209-I213 WeakPolarHBondContact O-CG1 3.43Å; A209-I213 PolarHBondContact O-N 2.72Å; A209-Y249 HydrophobicContact CB-CD1 4.01Å; A209-Y249 HydrophobicContact CB-CE1 3.94Å; A209-H250 VanDerWaalsContact CA-CD2 3.45Å; A209-H250 WeakPolarHBondContact CA-CD2 3.35Å; A209-H250 HydrophobicContact CB-CB 3.9Å; A209-H250 PolarHBondContact N-CD2 3.24Å; A209-H250 PolarHBondContact N-NE2 3.43Å
210A95.5Very high93.9Very high38 Ų3844 Ų4431%0.31422%0.221SC..Hα-helixtrans-66.4-33.5177.800000112F172 L207 G208 I213 M214F172-A210 HydrophobicContact CD1-CB 4.44Å; F172-A210 HydrophobicContact CE1-CB 3.6Å; F172-A210 HydrophobicContact CZ-CB 4.22Å; L207-A210 CarbonylContact O-C 3.59Å; L207-A210 PolarHBondContact O-N 2.95Å; G208-A210 VanDerWaalsContact C-N 3.32Å; G208-A210 PolarHBondContact O-N 3.48Å; A210-I213 PolarHBondContact O-N 2.94Å; A210-M214 WeakPolarHBondContact O-CB 3.19Å; A210-M214 PolarHBondContact O-N 3.04Å
211S97.4Very high94Very high1 Ų140.7 Ų40.71%0.00721%0.211CC..Hα-helixtrans-64.7-45173.7-161.20000111.6L198 L207 G208 A209 M214 L215L198-S211 VanDerWaalsContact C-OG 3.27Å; L198-S211 WeakPolarHBondContact CA-OG 3.34Å; L198-S211 WeakPolarHBondContact CB-OG 3.33Å; L198-S211 WeakPolarHBondContact CD2-OG 3.45Å; L198-S211 PolarHBondContact O-OG 3.16Å; L207-S211 WeakPolarHBondContact O-CB 3.35Å; L207-S211 PolarHBondContact O-N 3.37Å; G208-S211 VanDerWaalsContact O-CB 3.3Å; G208-S211 WeakPolarHBondContact O-CB 3.42Å; G208-S211 PolarHBondContact O-N 3.41Å; G208-S211 VanDerWaalsContact O-N 3.11Å; A209-S211 VanDerWaalsContact C-N 3.29Å; A209-S211 PolarHBondContact O-N 2.78Å; S211-M214 PolarHBondContact O-N 3.11Å; S211-L215 WeakPolarHBondContact O-CB 3.41Å; S211-L215 PolarHBondContact O-N 3.28Å
212C97.4Very high94.1Very high1 Ų140.6 Ų40.61%0.00721%0.211CC..Hα-helixtrans-62.4-43.8175.2-62.20000111.5G208 A209 M214 L215 A216 K253 A257G208-C212 PolarHBondContact O-N 2.89Å; G208-C212 PolarHBondContact O-SG 3.17Å; A209-C212 PolarHBondContact O-N 3.23Å; C212-M214 PolarHBondContact O-N 2.85Å; C212-L215 PolarHBondContact O-N 3.47Å; C212-A216 PolarHBondContact O-N 3.21Å; C212-K253 HydrophobicContact CB-CB 3.93Å; C212-K253 WeakPolarHBondContact CB-O 3.49Å; C212-A257 HydrophobicContact CB-CB 4.46Å
213I97.1Very high94.2Very high49 Ų4942.7 Ų42.725%0.25123%0.225SC..Hα-helixtrans-60.7-46175.3-68.2163.7000110.8F176 A209 A210 L215 A216 K217 Y249 K253F176-I213 HydrophobicContact CE2-CG2 4.46Å; A209-I213 VanDerWaalsContact O-CG1 3.29Å; A209-I213 WeakPolarHBondContact O-CG1 3.43Å; A209-I213 PolarHBondContact O-N 2.72Å; A210-I213 PolarHBondContact O-N 2.94Å; I213-L215 VanDerWaalsContact C-N 3.33Å; I213-L215 PolarHBondContact O-N 3.36Å; I213-A216 PolarHBondContact O-N 3.39Å; I213-K217 HydrophobicContact CG2-CG 4.36Å; I213-K217 WeakPolarHBondContact O-CB 3.47Å; I213-K217 VanDerWaalsContact O-CG 3.31Å; I213-K217 WeakPolarHBondContact O-CG 3.45Å; I213-K217 PolarHBondContact O-N 3.02Å; I213-Y249 HydrophobicContact CD1-CE1 4.48Å; I213-Y249 WeakPolarHBondContact CD1-OH 3.48Å; I213-K253 HydrophobicContact CD1-CD 4.43Å; I213-K253 HydrophobicContact CD1-CG 4.11Å; I213-K253 HydrophobicContact CG1-CB 4.31Å; I213-K253 HydrophobicContact CG1-CD 4.04Å; I213-K253 HydrophobicContact CG1-CG 3.89Å
214M97.9Very high94.5Very high1 Ų141.1 Ų41.11%0.00521%0.213CC..Hα-helixtrans-61.7-43178.4-175.9164.8-176.400111.5F172 L175 F176 C179 F189 L198 A210 S211 C212 K217 I218F172-M214 HydrophobicContact CE2-SD 3.93Å; F172-M214 HydrophobicContact CZ-CB 4.05Å; F172-M214 HydrophobicContact CZ-SD 3.85Å; L175-M214 HydrophobicContact CG-CE 3.92Å; F176-M214 HydrophobicContact CB-CE 4.49Å; F176-M214 HydrophobicContact CB-SD 3.96Å; F176-M214 HydrophobicContact CD2-CB 3.78Å; F176-M214 HydrophobicContact CD2-CG 3.77Å; F176-M214 HydrophobicContact CD2-SD 4.02Å; F176-M214 HydrophobicContact CE2-CB 4.24Å; F176-M214 HydrophobicContact CE2-CG 4.46Å; C179-M214 HydrophobicContact CB-CE 4.01Å; F189-M214 HydrophobicContact CE2-CE 4.49Å; F189-M214 HydrophobicContact CZ-CE 4.35Å; L198-M214 HydrophobicContact CD1-CB 4.23Å; L198-M214 HydrophobicContact CD1-CG 3.92Å; L198-M214 HydrophobicContact CD2-CB 4.16Å; L198-M214 HydrophobicContact CD2-CG 4.02Å; L198-M214 HydrophobicContact CD2-SD 3.81Å; A210-M214 WeakPolarHBondContact O-CB 3.19Å; A210-M214 PolarHBondContact O-N 3.04Å; S211-M214 PolarHBondContact O-N 3.11Å; C212-M214 PolarHBondContact O-N 2.85Å; M214-K217 PolarHBondContact O-N 3.02Å; M214-I218 HydrophobicContact CE-CD1 3.63Å; M214-I218 HydrophobicContact CG-CD1 3.78Å; M214-I218 HydrophobicContact CG-CG1 4.48Å; M214-I218 WeakPolarHBondContact O-CB 3.33Å; M214-I218 WeakPolarHBondContact O-CG1 3.18Å; M214-I218 PolarHBondContact O-N 3.38Å
215L98.1Very high94.8Very high2 Ų241.2 Ų41.21%0.0121%0.212CC..Hα-helixtrans-60.4-5017817961.8000110.5I195 L198 L199 S211 C212 I213 K217 I218 L219 L238 I261I195-L215 HydrophobicContact CG1-CD1 4.25Å; I195-L215 HydrophobicContact CG2-CD1 4.02Å; L198-L215 HydrophobicContact CB-CB 4.35Å; L198-L215 HydrophobicContact CD1-CB 3.84Å; L198-L215 HydrophobicContact CD1-CD1 4.15Å; L199-L215 HydrophobicContact CD2-CD2 3.88Å; S211-L215 WeakPolarHBondContact O-CB 3.41Å; S211-L215 PolarHBondContact O-N 3.28Å; C212-L215 PolarHBondContact O-N 3.47Å; I213-L215 VanDerWaalsContact C-N 3.33Å; I213-L215 PolarHBondContact O-N 3.36Å; L215-K217 PolarHBondContact O-N 3.04Å; L215-I218 PolarHBondContact O-N 2.97Å; L215-L219 HydrophobicContact CD1-CD1 3.81Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 4.07Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 3.49Å; L215-L238 HydrophobicContact CD2-CD1 4.14Å; L215-I261 HydrophobicContact CD2-CD1 4.23Å
216A96.8Very high95.3Very high13 Ų1333.4 Ų33.411%0.10717%0.17CC..Hα-helixtrans-58.3-49.8177.900000111.6C212 I213 I218 L219 E220 A257 L260C212-A216 PolarHBondContact O-N 3.21Å; I213-A216 PolarHBondContact O-N 3.39Å; A216-I218 VanDerWaalsContact C-N 3.31Å; A216-I218 PolarHBondContact O-N 3.02Å; A216-L219 PolarHBondContact O-N 3.37Å; A216-E220 WeakPolarHBondContact O-CG 3.28Å; A216-E220 PolarHBondContact O-N 2.89Å; A216-A257 HydrophobicContact CB-CB 4.24Å; A216-L260 HydrophobicContact CB-CD2 3.96Å; A216-L260 WeakPolarHBondContact O-CD2 3.35Å
217K97.2Very high95.4Very high86 Ų8628.9 Ų28.937%0.37415%0.152SC..Hα-helixtrans-62.7-35.9-178.9-71.7-71.9157.2-145.40113.5F180 I213 M214 L215 E220 L221F180-K217 HydrophobicContact CE2-CD 4.08Å; F180-K217 HydrophobicContact CE2-CG 4.32Å; I213-K217 HydrophobicContact CG2-CG 4.36Å; I213-K217 WeakPolarHBondContact O-CB 3.47Å; I213-K217 VanDerWaalsContact O-CG 3.31Å; I213-K217 WeakPolarHBondContact O-CG 3.45Å; I213-K217 PolarHBondContact O-N 3.02Å; M214-K217 PolarHBondContact O-N 3.02Å; L215-K217 PolarHBondContact O-N 3.04Å; K217-E220 WeakPolarHBondContact CD-OE2 3.4Å; K217-E220 IonicContact NZ-OE1 2.73Å; K217-E220 IonicContact NZ-OE2 3.69Å; K217-E220 PolarHBondContact NZ-OE2 3.47Å; K217-L221 WeakPolarHBondContact O-CB 3.42Å; K217-L221 PolarHBondContact O-N 3.36Å
218I97.9Very high95.3Very high5 Ų530.8 Ų30.83%0.02616%0.16CC..Hα-helixtrans-68.2-48175-75.2170.8000110C179 F189 L198 M214 L215 A216 E220 L221 V222C179-I218 HydrophobicContact CB-CD1 4.3Å; F189-I218 HydrophobicContact CD1-CD1 3.47Å; F189-I218 VanDerWaalsContact CD1-CD1 3.47Å; F189-I218 HydrophobicContact CD1-CG2 4.48Å; F189-I218 HydrophobicContact CE1-CD1 3.44Å; F189-I218 VanDerWaalsContact CE1-CD1 3.44Å; F189-I218 HydrophobicContact CG-CD1 4.33Å; F189-I218 HydrophobicContact CZ-CD1 4.31Å; L198-I218 HydrophobicContact CD1-CD1 4.23Å; M214-I218 HydrophobicContact CE-CD1 3.63Å; M214-I218 HydrophobicContact CG-CD1 3.78Å; M214-I218 HydrophobicContact CG-CG1 4.48Å; M214-I218 WeakPolarHBondContact O-CB 3.33Å; M214-I218 WeakPolarHBondContact O-CG1 3.18Å; M214-I218 PolarHBondContact O-N 3.38Å; L215-I218 PolarHBondContact O-N 2.97Å; A216-I218 VanDerWaalsContact C-N 3.31Å; A216-I218 PolarHBondContact O-N 3.02Å; I218-E220 VanDerWaalsContact C-N 3.33Å; I218-E220 PolarHBondContact O-N 3.35Å; I218-L221 PolarHBondContact O-N 2.81Å; I218-V222 HydrophobicContact CG2-CG2 3.7Å; I218-V222 WeakPolarHBondContact O-CG2 3.4Å; I218-V222 PolarHBondContact O-N 2.87Å
219L96.6Very high95.2Very high0 Ų030.8 Ų30.80%016%0.16CC..Hα-helixtrans-69.6-28.2-177.7-66.2-179.8000113.3I195 L215 A216 L221 V222 P223 K226 A229 L260 I261I195-L219 HydrophobicContact CD1-CD2 4.18Å; L215-L219 HydrophobicContact CD1-CD1 3.81Å; L215-L219 HydrophobicContact CD1-CG 4.13Å; L215-L219 HydrophobicContact CG-CD1 4.07Å; L215-L219 WeakPolarHBondContact O-CG 3.43Å; L215-L219 PolarHBondContact O-N 3.49Å; A216-L219 PolarHBondContact O-N 3.37Å; L219-L221 VanDerWaalsContact C-N 3.31Å; L219-V222 CarbonylContact O-C 3.6Å; L219-P223 WeakPolarHBondContact O-CA 3.35Å; L219-K226 HydrophobicContact CB-CG 4.21Å; L219-A229 HydrophobicContact CD1-CB 4.03Å; L219-L260 HydrophobicContact CB-CD2 3.91Å; L219-I261 HydrophobicContact CD1-CD1 3.87Å; L219-I261 HydrophobicContact CD1-CG1 3.44Å; L219-I261 VanDerWaalsContact CD1-CG1 3.44Å
220E95.7Very high94.9Very high101 Ų10130 Ų3047%0.47215%0.153SC..Hα-helixtrans-61.6-40.3166.9-77173.6175.200111.5A216 K217 I218 L260A216-E220 WeakPolarHBondContact O-CG 3.28Å; A216-E220 PolarHBondContact O-N 2.89Å; K217-E220 WeakPolarHBondContact CD-OE2 3.4Å; K217-E220 IonicContact NZ-OE1 2.73Å; K217-E220 IonicContact NZ-OE2 3.69Å; K217-E220 PolarHBondContact NZ-OE2 3.47Å; I218-E220 VanDerWaalsContact C-N 3.33Å; I218-E220 PolarHBondContact O-N 3.35Å; E220-L260 HydrophobicContact CG-CD1 3.76Å; E220-L260 HydrophobicContact CG-CD2 3.78Å; E220-L260 HydrophobicContact CG-CG 4.43Å
221L96.2Very high94.5Very high56 Ų5631.9 Ų31.929%0.29316%0.156SC..Hα-helixtrans-81.9-30.8-175.7-17361.2000113.2K183 K217 I218 L219K183-L221 HydrophobicContact CB-CD1 4.41Å; K183-L221 HydrophobicContact CB-CG 4.26Å; K217-L221 WeakPolarHBondContact O-CB 3.42Å; K217-L221 PolarHBondContact O-N 3.36Å; I218-L221 PolarHBondContact O-N 2.81Å; L219-L221 VanDerWaalsContact C-N 3.31Å
222V95.8Very high94Very high0 Ų033.7 Ų33.70%016%0.164CC..  trans-129.465.1179.8-67.80000111.2K183 Q187 I218 L219 Q224 Y225K183-V222 HydrophobicContact CG-CG1 3.68Å; Q187-V222 HydrophobicContact CG-CB 4.47Å; Q187-V222 HydrophobicContact CG-CG1 3.64Å; I218-V222 HydrophobicContact CG2-CG2 3.7Å; I218-V222 WeakPolarHBondContact O-CG2 3.4Å; I218-V222 PolarHBondContact O-N 2.87Å; L219-V222 CarbonylContact O-C 3.6Å; V222-Q224 PolarHBondContact O-N 3.14Å; V222-Y225 HydrophobicContact CB-CD2 3.81Å; V222-Y225 HydrophobicContact CB-CE2 4.21Å; V222-Y225 HydrophobicContact CG2-CD2 3.68Å; V222-Y225 HydrophobicContact CG2-CE2 4.26Å; V222-Y225 PolarHBondContact O-N 3.13Å
223P94.6Very high93.5Very high46 Ų4634.1 Ų34.130%0.29917%0.169SC..G310 helixtrans-59.9-21.9-172.223.8-34.8000114L219 Y225 K226L219-P223 WeakPolarHBondContact O-CA 3.35Å; P223-Y225 PolarHBondContact O-N 3.28Å; P223-K226 HydrophobicContact CB-CD 4.27Å; P223-K226 WeakPolarHBondContact O-CB 3.41Å; P223-K226 WeakPolarHBondContact O-CG 3.02Å; P223-K226 PolarHBondContact O-N 3.02Å
224Q93.1Very high93.2Very high97 Ų9731.8 Ų31.845%0.45316%0.157SC..G310 helixtrans-59.7-12.617473.1-82.26.100114.4Q187 V222Q187-Q224 VanDerWaalsContact NE2-NE2 3.16Å; V222-Q224 PolarHBondContact O-N 3.14Å
225Y94.1Very high92.8Very high24 Ų2431.8 Ų31.89%0.09416%0.157CC..G310 helixtrans-96.4-0.5172.5-66.6-80.3000114.6Q187 C190 E191 V222 P223 Q227 H228 A229Q187-Y225 HydrophobicContact CB-CE2 4.28Å; Q187-Y225 HydrophobicContact CG-CE2 4.03Å; C190-Y225 HydrophobicContact CB-CD1 3.57Å; C190-Y225 HydrophobicContact CB-CD2 3.83Å; C190-Y225 HydrophobicContact CB-CE1 3.51Å; C190-Y225 HydrophobicContact CB-CE2 3.75Å; C190-Y225 HydrophobicContact CB-CG 3.74Å; E191-Y225 WeakPolarHBondContact CG-OH 3.3Å; E191-Y225 VanDerWaalsContact OE1-CE1 3.27Å; E191-Y225 WeakPolarHBondContact OE1-CE1 3.47Å; E191-Y225 PolarHBondContact OE1-OH 3.13Å; V222-Y225 HydrophobicContact CB-CD2 3.81Å; V222-Y225 HydrophobicContact CB-CE2 4.21Å; V222-Y225 HydrophobicContact CG2-CD2 3.68Å; V222-Y225 HydrophobicContact CG2-CE2 4.26Å; V222-Y225 PolarHBondContact O-N 3.13Å; P223-Y225 PolarHBondContact O-N 3.28Å; Y225-Q227 PolarHBondContact O-N 3.05Å; Y225-H228 HydrophobicContact CD1-CB 4.34Å; Y225-H228 WeakPolarHBondContact O-CB 3.34Å; Y225-H228 PolarHBondContact O-N 3.24Å; Y225-H228 VanDerWaalsContact O-N 3.16Å; Y225-A229 PolarHBondContact O-N 3.45Å
226K92.6Very high92.3Very high8 Ų835 Ų354%0.03517%0.17CC..Hα-helixtrans-58.2-49.1175.8-73.1178.2177-173.50111L219 P223 H228 A229 C230 L260 E264 C265L219-K226 HydrophobicContact CB-CG 4.21Å; P223-K226 HydrophobicContact CB-CD 4.27Å; P223-K226 WeakPolarHBondContact O-CB 3.41Å; P223-K226 WeakPolarHBondContact O-CG 3.02Å; P223-K226 PolarHBondContact O-N 3.02Å; K226-H228 VanDerWaalsContact C-N 3.27Å; K226-H228 PolarHBondContact O-N 3.31Å; K226-A229 WeakPolarHBondContact O-CA 3.47Å; K226-A229 WeakPolarHBondContact O-CB 3.39Å; K226-A229 PolarHBondContact O-N 3.06Å; K226-C230 PolarHBondContact O-N 2.85Å; K226-L260 VanDerWaalsContact CE-O 3.28Å; K226-L260 WeakPolarHBondContact CE-O 3.3Å; K226-L260 PolarHBondContact NZ-O 3.26Å; K226-E264 HydrophobicContact CD-CB 3.9Å; K226-E264 HydrophobicContact CD-CG 4.24Å; K226-E264 IonicContact NZ-OE1 3.48Å; K226-E264 PolarHBondContact NZ-OE1 3.35Å; K226-E264 IonicContact NZ-OE2 3.48Å; K226-C265 PolarHBondContact O-SG 3.01Å; K226-C265 VanDerWaalsContact O-SG 3.38Å
227Q89.1Confident92Very high51 Ų5136.9 Ų36.924%0.23818%0.179CC..Hα-helixtrans-57.1-42.1174.6-175.45927.900111.9Y225 A229 C230 E231Y225-Q227 PolarHBondContact O-N 3.05Å; Q227-A229 VanDerWaalsContact C-N 3.31Å; Q227-A229 PolarHBondContact O-N 3.3Å; Q227-C230 WeakPolarHBondContact O-CB 3.35Å; Q227-C230 PolarHBondContact O-N 3.21Å; Q227-E231 WeakPolarHBondContact O-CG 3.37Å; Q227-E231 PolarHBondContact O-N 2.84Å
228H89.8Confident91.7Very high49 Ų4932.8 Ų32.823%0.22716%0.162CC..Hα-helixtrans-64.8-35.6177.2-167.449.4000112.6Y225 K226 E231 Q232Y225-H228 HydrophobicContact CD1-CB 4.34Å; Y225-H228 WeakPolarHBondContact O-CB 3.34Å; Y225-H228 PolarHBondContact O-N 3.24Å; Y225-H228 VanDerWaalsContact O-N 3.16Å; K226-H228 VanDerWaalsContact C-N 3.27Å; K226-H228 PolarHBondContact O-N 3.31Å; H228-E231 IonicContact ND1-OE2 2.95Å; H228-E231 PolarHBondContact ND1-OE2 2.89Å; H228-E231 PolarHBondContact O-N 3.3Å; H228-Q232 PolarHBondContact CD2-NE2 3.11Å; H228-Q232 PolarHBondContact CE1-NE2 3.02Å; H228-Q232 PolarHBondContact NE2-NE2 3.43Å; H228-Q232 WeakPolarHBondContact O-CB 3.38Å; H228-Q232 VanDerWaalsContact O-CG 3.28Å; H228-Q232 WeakPolarHBondContact O-CG 3.26Å; H228-Q232 PolarHBondContact O-N 2.93Å
229A92.1Very high91.2Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-64.3-42.4172.800000111.5I195 L219 Y225 K226 Q227 Q232 G233 A234 I261I195-A229 HydrophobicContact CD1-CB 4.29Å; I195-A229 HydrophobicContact CG2-CB 3.87Å; L219-A229 HydrophobicContact CD1-CB 4.03Å; Y225-A229 PolarHBondContact O-N 3.45Å; K226-A229 WeakPolarHBondContact O-CA 3.47Å; K226-A229 WeakPolarHBondContact O-CB 3.39Å; K226-A229 PolarHBondContact O-N 3.06Å; Q227-A229 VanDerWaalsContact C-N 3.31Å; Q227-A229 PolarHBondContact O-N 3.3Å; A229-Q232 CarbonylContact O-C 3.58Å; A229-Q232 PolarHBondContact O-N 2.94Å; A229-G233 PolarHBondContact O-N 2.97Å; A229-A234 HydrophobicContact CB-CB 3.93Å; A229-A234 WeakPolarHBondContact O-CB 3.2Å; A229-A234 PolarHBondContact O-N 3.26Å; A229-I261 HydrophobicContact CB-CD1 4.21Å; A229-I261 HydrophobicContact CB-CG1 4.37Å
230C88.5Confident90.8Very high1 Ų134 Ų341%0.00717%0.168CC..Hα-helixtrans-57.1-49.8172.9-74.50000111.9K226 Q227 Q232 G233 I261 C265 F272K226-C230 PolarHBondContact O-N 2.85Å; Q227-C230 WeakPolarHBondContact O-CB 3.35Å; Q227-C230 PolarHBondContact O-N 3.21Å; C230-Q232 PolarHBondContact O-N 3.42Å; C230-G233 PolarHBondContact O-N 3.18Å; C230-I261 WeakPolarHBondContact SG-CG2 3.3Å; C230-C265 HydrophobicContact CB-CB 4.2Å; C230-C265 WeakPolarHBondContact CB-SG 3.46Å; C230-C265 WeakPolarHBondContact SG-CB 3.49Å; C230-C265 CovalentContact SG-SG 2.05Å; C230-C265 PolarHBondContact SG-SG 3.23Å; C230-F272 HydrophobicContact CB-CD2 4.1Å; C230-F272 HydrophobicContact CB-CE2 3.97Å
231E86.1Confident90.5Very high79 Ų7929.6 Ų29.637%0.36915%0.148SC..Hα-helixtrans-61-29.9176.6-69170.6169.800113.2Q227 H228 G233Q227-E231 WeakPolarHBondContact O-CG 3.37Å; Q227-E231 PolarHBondContact O-N 2.84Å; H228-E231 IonicContact ND1-OE2 2.95Å; H228-E231 PolarHBondContact ND1-OE2 2.89Å; H228-E231 PolarHBondContact O-N 3.3Å; E231-G233 PolarHBondContact O-N 2.75Å
232Q86.8Confident90.1Very high38 Ų3826.9 Ų26.918%0.17813%0.134CC..THydrogen-bonded Turntrans-80.23.5174.5-75-173.24.900113.7I195 M196 H228 A229 C230I195-Q232 VanDerWaalsContact CB-OE1 3.28Å; I195-Q232 VanDerWaalsContact CG2-OE1 3.28Å; M196-Q232 HydrophobicContact CG-CB 4.45Å; M196-Q232 HydrophobicContact CG-CG 4.17Å; M196-Q232 VanDerWaalsContact CG-OE1 3.24Å; M196-Q232 HydrophobicContact SD-CB 3.73Å; M196-Q232 HydrophobicContact SD-CG 4.03Å; H228-Q232 PolarHBondContact CD2-NE2 3.11Å; H228-Q232 PolarHBondContact CE1-NE2 3.02Å; H228-Q232 PolarHBondContact NE2-NE2 3.43Å; H228-Q232 WeakPolarHBondContact O-CB 3.38Å; H228-Q232 VanDerWaalsContact O-CG 3.28Å; H228-Q232 WeakPolarHBondContact O-CG 3.26Å; H228-Q232 PolarHBondContact O-N 2.93Å; A229-Q232 CarbonylContact O-C 3.58Å; A229-Q232 PolarHBondContact O-N 2.94Å; C230-Q232 PolarHBondContact O-N 3.42Å
233G87.7Confident89.6Confident11 Ų1128.4 Ų28.411%0.11314%0.144CC..THydrogen-bonded Turntrans76.520.117900000113.9A229 C230 E231 V235 Y236 V237A229-G233 PolarHBondContact O-N 2.97Å; C230-G233 PolarHBondContact O-N 3.18Å; E231-G233 PolarHBondContact O-N 2.75Å; G233-V235 VanDerWaalsContact C-N 3.28Å; G233-V235 PolarHBondContact O-N 3.23Å; G233-Y236 PolarHBondContact O-N 3.34Å; G233-V237 WeakPolarHBondContact O-CG2 3.46Å; G233-V237 PolarHBondContact O-N 2.84Å
234A91.4Very high89.1Confident0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-54.4-43.3-178.900000112.6L199 A229 Y236 V237 L238 I261L199-A234 HydrophobicContact CD1-CB 3.8Å; L199-A234 HydrophobicContact CD2-CB 3.81Å; L199-A234 HydrophobicContact CG-CB 4.38Å; A229-A234 HydrophobicContact CB-CB 3.93Å; A229-A234 WeakPolarHBondContact O-CB 3.2Å; A229-A234 PolarHBondContact O-N 3.26Å; A234-Y236 PolarHBondContact O-N 3.26Å; A234-V237 PolarHBondContact O-N 3.31Å; A234-L238 WeakPolarHBondContact O-CB 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 2.89Å; A234-I261 HydrophobicContact CB-CD1 3.77Å
235V88.9Confident88.9Confident1 Ų129.5 Ų29.51%0.00614%0.144CC..Hα-helixtrans-60.4-47.2-179.8-175.20000110.8G233 L238 A239 M258 I261 L262 F272 V278G233-V235 VanDerWaalsContact C-N 3.28Å; G233-V235 PolarHBondContact O-N 3.23Å; V235-L238 PolarHBondContact O-N 2.96Å; V235-A239 VanDerWaalsContact O-CB 3.25Å; V235-A239 WeakPolarHBondContact O-CB 3.39Å; V235-A239 PolarHBondContact O-N 3.42Å; V235-M258 HydrophobicContact CG1-CG 4Å; V235-M258 HydrophobicContact CG1-SD 4.12Å; V235-I261 HydrophobicContact CG2-CG2 3.77Å; V235-L262 HydrophobicContact CG1-CD1 4.29Å; V235-L262 HydrophobicContact CG1-CD2 4.04Å; V235-L262 HydrophobicContact CG1-CG 4.33Å; V235-L262 HydrophobicContact CG2-CD2 3.95Å; V235-L262 HydrophobicContact CG2-CG 4.33Å; V235-F272 HydrophobicContact CB-CZ 4.31Å; V235-F272 HydrophobicContact CG2-CE2 4.29Å; V235-F272 HydrophobicContact CG2-CZ 4.36Å; V235-V278 HydrophobicContact CB-CG1 4.46Å; V235-V278 HydrophobicContact CG1-CG1 3.53Å
236Y87.2Confident88.4Confident70 Ų7033.6 Ų33.628%0.27518%0.176SC..Hα-helixtrans-62.1-47.8177.3177.7-99.3000111.8G233 A234 L238 A239 D240 K277 V278 K281G233-Y236 PolarHBondContact O-N 3.34Å; A234-Y236 PolarHBondContact O-N 3.26Å; Y236-L238 PolarHBondContact O-N 3.34Å; Y236-A239 PolarHBondContact O-N 3.05Å; Y236-D240 VanDerWaalsContact O-CB 3.31Å; Y236-D240 WeakPolarHBondContact O-CB 3.43Å; Y236-D240 PolarHBondContact O-N 3.29Å; Y236-K277 HydrophobicContact CD2-CB 4.09Å; Y236-K277 HydrophobicContact CE2-CB 3.89Å; Y236-K277 HydrophobicContact CE2-CD 4.49Å; Y236-V278 HydrophobicContact CD2-CG2 4.41Å; Y236-K281 HydrophobicContact CE2-CG 4.16Å
237V90.1Very high88.1Confident51 Ų5137.1 Ų37.131%0.30920%0.195SC..Hα-helixtrans-60.6-46.1-179.7172.40000110.8L199 G233 A234 L241L199-V237 HydrophobicContact CB-CG1 4.22Å; L199-V237 HydrophobicContact CD2-CB 4.32Å; L199-V237 HydrophobicContact CD2-CG1 4.23Å; G233-V237 WeakPolarHBondContact O-CG2 3.46Å; G233-V237 PolarHBondContact O-N 2.84Å; A234-V237 PolarHBondContact O-N 3.31Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.02Å
238L92.3Very high88Confident1 Ų139.1 Ų39.11%0.00521%0.208CC..Hα-helixtrans-69.1-37.6-179.4-67.1169000112.2L199 L215 A234 V235 Y236 L241 A242 A254 A257 M258 I261L199-L238 HydrophobicContact CD2-CD2 4.46Å; L199-L238 HydrophobicContact CD2-CG 4.23Å; L215-L238 HydrophobicContact CD2-CD1 4.14Å; A234-L238 WeakPolarHBondContact O-CB 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.47Å; A234-L238 PolarHBondContact O-N 2.89Å; V235-L238 PolarHBondContact O-N 2.96Å; Y236-L238 PolarHBondContact O-N 3.34Å; L238-L241 HydrophobicContact CD2-CD2 4.49Å; L238-L241 PolarHBondContact O-N 3.49Å; L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.34Å; L238-A242 PolarHBondContact O-N 2.92Å; L238-A254 HydrophobicContact CD2-CB 4.24Å; L238-A257 HydrophobicContact CD1-CB 4Å; L238-A257 HydrophobicContact CD2-CB 4.48Å; L238-M258 HydrophobicContact CB-CB 4.01Å; L238-M258 HydrophobicContact CB-CG 4.48Å; L238-M258 HydrophobicContact CB-SD 4.47Å; L238-M258 HydrophobicContact CD1-CB 4.05Å; L238-I261 HydrophobicContact CD1-CD1 3.79Å
239A87Confident87.9Confident0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-66-47.2175.800000111.6V235 Y236 L241 A242 S243 M258 K281 L282 L285V235-A239 VanDerWaalsContact O-CB 3.25Å; V235-A239 WeakPolarHBondContact O-CB 3.39Å; V235-A239 PolarHBondContact O-N 3.42Å; Y236-A239 PolarHBondContact O-N 3.05Å; A239-L241 VanDerWaalsContact C-N 3.32Å; A239-L241 PolarHBondContact O-N 3.44Å; A239-A242 PolarHBondContact O-N 2.99Å; A239-S243 PolarHBondContact O-N 3.35Å; A239-M258 HydrophobicContact CB-SD 3.73Å; A239-K281 HydrophobicContact CB-CB 3.84Å; A239-L282 HydrophobicContact CB-CD2 4.45Å; A239-L285 HydrophobicContact CB-CD1 3.95Å
240D87.2Confident87.8Confident30 Ų3043.2 Ų43.216%0.1622%0.222CC..Hα-helixtrans-60.9-43.4176-175.565.4000111.4Y236 S243 K244 K281Y236-D240 VanDerWaalsContact O-CB 3.31Å; Y236-D240 WeakPolarHBondContact O-CB 3.43Å; Y236-D240 PolarHBondContact O-N 3.29Å; D240-S243 PolarHBondContact O-N 3.45Å; D240-S243 PolarHBondContact O-OG 2.91Å; D240-K244 WeakPolarHBondContact O-CG 3.41Å; D240-K244 PolarHBondContact O-N 2.74Å; D240-K244 WeakPolarHBondContact OD1-CE 3.47Å; D240-K244 IonicContact OD1-NZ 2.94Å; D240-K244 PolarHBondContact OD1-NZ 2.98Å; D240-K244 WeakPolarHBondContact OD2-CE 3.47Å; D240-K244 IonicContact OD2-NZ 2.66Å; D240-K244 PolarHBondContact OD2-NZ 3.15Å; D240-K281 HydrophobicContact CB-CD 4.45Å; D240-K281 VanDerWaalsContact OD1-CE 3.29Å; D240-K281 WeakPolarHBondContact OD1-CE 3.43Å; D240-K281 IonicContact OD1-NZ 3.53Å
241L90.3Very high87.9Confident8 Ų843.9 Ų43.94%0.04223%0.225CC..Hα-helixtrans-60-50176-178.265.3000111.9A202 V237 L238 A239 S243 K244 I245 A254A202-L241 HydrophobicContact CB-CD2 3.52Å; V237-L241 WeakPolarHBondContact O-CB 3.2Å; V237-L241 PolarHBondContact O-N 3.02Å; L238-L241 HydrophobicContact CD2-CD2 4.49Å; L238-L241 PolarHBondContact O-N 3.49Å; A239-L241 VanDerWaalsContact C-N 3.32Å; A239-L241 PolarHBondContact O-N 3.44Å; L241-S243 PolarHBondContact O-N 3.41Å; L241-K244 PolarHBondContact O-N 3.39Å; L241-K244 VanDerWaalsContact O-N 3.14Å; L241-I245 HydrophobicContact CB-CD1 4.49Å; L241-I245 HydrophobicContact CD1-CD1 3.4Å; L241-I245 HydrophobicContact CD1-CG1 3.76Å; L241-I245 HydrophobicContact CD2-CD1 4.11Å; L241-I245 HydrophobicContact CG-CD1 3.34Å; L241-I245 HydrophobicContact CG-CG1 4.16Å; L241-I245 WeakPolarHBondContact O-CD1 3.44Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.43Å; L241-I245 PolarHBondContact O-N 3.26Å; L241-A254 HydrophobicContact CD2-CB 4.15Å
242A88.2Confident88Confident0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-61.4-27.3177.500000112.8L238 A239 R251 A254 M255 L285L238-A242 VanDerWaalsContact O-CB 3.31Å; L238-A242 WeakPolarHBondContact O-CB 3.34Å; L238-A242 PolarHBondContact O-N 2.92Å; A239-A242 PolarHBondContact O-N 2.99Å; A242-R251 HydrophobicContact CB-CG 4.12Å; A242-R251 VanDerWaalsContact O-CG 3.31Å; A242-R251 WeakPolarHBondContact O-CG 3.37Å; A242-R251 PolarHBondContact O-NH1 3.42Å; A242-R251 VanDerWaalsContact O-NH1 3.07Å; A242-A254 HydrophobicContact CB-CB 4.27Å; A242-M255 HydrophobicContact CB-CG 4.1Å; A242-L285 HydrophobicContact CB-CD1 4.13Å; A242-L285 HydrophobicContact CB-CD2 3.76Å
243S84.3Confident88.3Confident32 Ų3243.5 Ų43.522%0.22422%0.223CC..Hα-helixtrans-77.2-26.3179.175.30000112.8A239 D240 L241A239-S243 PolarHBondContact O-N 3.35Å; D240-S243 PolarHBondContact O-N 3.45Å; D240-S243 PolarHBondContact O-OG 2.91Å; L241-S243 PolarHBondContact O-N 3.41Å
244K85.5Confident88.5Confident141 Ų14143 Ų4361%0.61322%0.217SC*.Hα-helixtrans-102.9-30.1-172-69.9172.3-179.6169.40114.2D240 L241D240-K244 WeakPolarHBondContact O-CG 3.41Å; D240-K244 PolarHBondContact O-N 2.74Å; D240-K244 WeakPolarHBondContact OD1-CE 3.47Å; D240-K244 IonicContact OD1-NZ 2.94Å; D240-K244 PolarHBondContact OD1-NZ 2.98Å; D240-K244 WeakPolarHBondContact OD2-CE 3.47Å; D240-K244 IonicContact OD2-NZ 2.66Å; D240-K244 PolarHBondContact OD2-NZ 3.15Å; L241-K244 PolarHBondContact O-N 3.39Å; L241-K244 VanDerWaalsContact O-N 3.14Å
245I87Confident88.4Confident24 Ų2443.1 Ų43.112%0.12322%0.218CC..  trans-65.3138.7-177.9-72.2162.7000110.6L241 D247 H250 R251L241-I245 HydrophobicContact CB-CD1 4.49Å; L241-I245 HydrophobicContact CD1-CD1 3.4Å; L241-I245 HydrophobicContact CD1-CG1 3.76Å; L241-I245 HydrophobicContact CD2-CD1 4.11Å; L241-I245 HydrophobicContact CG-CD1 3.34Å; L241-I245 HydrophobicContact CG-CG1 4.16Å; L241-I245 WeakPolarHBondContact O-CD1 3.44Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.43Å; L241-I245 PolarHBondContact O-N 3.26Å; I245-D247 HydrophobicContact CG2-CB 3.84Å; I245-D247 WeakPolarHBondContact CG2-O 3.31Å; I245-H250 HydrophobicContact CD1-CB 4.31Å; I245-H250 WeakPolarHBondContact CD1-CE1 3.5Å; I245-H250 VanDerWaalsContact CD1-ND1 3.34Å; I245-H250 WeakPolarHBondContact CD1-ND1 3.24Å; I245-H250 HydrophobicContact CG2-CB 4.14Å; I245-R251 PolarHBondContact O-NH1 3.47Å; I245-R251 VanDerWaalsContact O-NH1 3.12Å; I245-R251 PolarHBondContact O-NH2 3.03Å
246S83.5Confident88.5Confident110 Ų11046 Ų4677%0.76923%0.231SC*.  trans-86.6-26.6171.159.60000113.9D248S246-D248 PolarHBondContact O-N 3.31Å
247D87.6Confident88.8Confident83 Ų8342.8 Ų42.844%0.44422%0.219SC..  trans-76.1113.6179.6-177.583.2000112I245 Y249 H250 R251I245-D247 HydrophobicContact CG2-CB 3.84Å; I245-D247 WeakPolarHBondContact CG2-O 3.31Å; D247-Y249 VanDerWaalsContact C-N 3.3Å; D247-Y249 PolarHBondContact O-N 2.82Å; D247-Y249 WeakPolarHBondContact OD2-CB 3.46Å; D247-Y249 PolarHBondContact OD2-N 3.48Å; D247-H250 HydrophobicContact CB-CB 4.18Å; D247-H250 PolarHBondContact O-N 2.84Å; D247-H250 VanDerWaalsContact OD2-CB 3.24Å; D247-H250 WeakPolarHBondContact OD2-CB 3.37Å; D247-H250 PolarHBondContact OD2-N 3.03Å; D247-R251 WeakPolarHBondContact O-CB 3.37Å; D247-R251 PolarHBondContact O-N 3.2Å
248D86.1Confident88.9Confident93 Ų9340.4 Ų40.450%0.49720%0.204SC..Hα-helixtrans-65.5-32.1-174.5-68.4-24.5000113.2S246 R251 Q252S246-D248 PolarHBondContact O-N 3.31Å; D248-R251 WeakPolarHBondContact O-CB 3.32Å; D248-R251 IonicContact OD1-CZ 3.46Å; D248-R251 IonicContact OD1-NE 2.8Å; D248-R251 PolarHBondContact OD1-NE 3.18Å; D248-R251 IonicContact OD1-NH2 3.94Å; D248-R251 PolarHBondContact OD1-NH2 3.32Å; D248-Q252 WeakPolarHBondContact O-CB 3.5Å; D248-Q252 PolarHBondContact O-N 3.11Å
249Y88.7Confident88.7Confident123 Ų12342.7 Ų42.748%0.48222%0.215SC..Hα-helixtrans-66.1-50.4177.5177.3-100.2000111.2A209 I213 D247 R251 Q252 K253A209-Y249 HydrophobicContact CB-CD1 4.01Å; A209-Y249 HydrophobicContact CB-CE1 3.94Å; I213-Y249 HydrophobicContact CD1-CE1 4.48Å; I213-Y249 WeakPolarHBondContact CD1-OH 3.48Å; D247-Y249 VanDerWaalsContact C-N 3.3Å; D247-Y249 PolarHBondContact O-N 2.82Å; D247-Y249 WeakPolarHBondContact OD2-CB 3.46Å; D247-Y249 PolarHBondContact OD2-N 3.48Å; Y249-R251 VanDerWaalsContact C-N 3.32Å; Y249-R251 PolarHBondContact O-N 3.2Å; Y249-Q252 WeakPolarHBondContact O-CB 3.34Å; Y249-Q252 PolarHBondContact O-N 3.32Å; Y249-K253 HydrophobicContact CD1-CG 4.46Å; Y249-K253 HydrophobicContact CE1-CG 4.08Å; Y249-K253 HydrophobicContact CE2-CG 4.44Å; Y249-K253 WeakPolarHBondContact O-CG 3.33Å; Y249-K253 PolarHBondContact O-N 3.49Å
250H89.5Confident88.9Confident12 Ų1244 Ų446%0.05622%0.222CC..Hα-helixtrans-61.6-42.8176.9-175.5-174000110.9A202 G208 A209 I245 D247 Q252 K253 A254A202-H250 PolarHBondContact O-CE1 3.38Å; A202-H250 PolarHBondContact O-NE2 3.23Å; A202-H250 VanDerWaalsContact O-NE2 3.17Å; G208-H250 VanDerWaalsContact CA-CE1 3.46Å; G208-H250 WeakPolarHBondContact CA-CE1 3.35Å; G208-H250 WeakPolarHBondContact CA-NE2 3.47Å; G208-H250 PolarHBondContact O-NE2 3.41Å; A209-H250 VanDerWaalsContact CA-CD2 3.45Å; A209-H250 WeakPolarHBondContact CA-CD2 3.35Å; A209-H250 HydrophobicContact CB-CB 3.9Å; A209-H250 PolarHBondContact N-CD2 3.24Å; A209-H250 PolarHBondContact N-NE2 3.43Å; I245-H250 HydrophobicContact CD1-CB 4.31Å; I245-H250 WeakPolarHBondContact CD1-CE1 3.5Å; I245-H250 VanDerWaalsContact CD1-ND1 3.34Å; I245-H250 WeakPolarHBondContact CD1-ND1 3.24Å; I245-H250 HydrophobicContact CG2-CB 4.14Å; D247-H250 HydrophobicContact CB-CB 4.18Å; D247-H250 PolarHBondContact O-N 2.84Å; D247-H250 VanDerWaalsContact OD2-CB 3.24Å; D247-H250 WeakPolarHBondContact OD2-CB 3.37Å; D247-H250 PolarHBondContact OD2-N 3.03Å; H250-Q252 VanDerWaalsContact C-N 3.35Å; H250-Q252 PolarHBondContact O-N 3.39Å; H250-K253 PolarHBondContact O-N 3.44Å; H250-K253 VanDerWaalsContact O-N 3.13Å; H250-A254 PolarHBondContact O-N 3.41Å
251R89.7Confident89.1Confident14 Ų1442.6 Ų42.65%0.05321%0.214CC..Hα-helixtrans-54.9-49174-164.4-164.5-51.5-101.17.5112A242 I245 D247 D248 Y249 K253 A254 M255 F289A242-R251 HydrophobicContact CB-CG 4.12Å; A242-R251 VanDerWaalsContact O-CG 3.31Å; A242-R251 WeakPolarHBondContact O-CG 3.37Å; A242-R251 PolarHBondContact O-NH1 3.42Å; A242-R251 VanDerWaalsContact O-NH1 3.07Å; I245-R251 PolarHBondContact O-NH1 3.47Å; I245-R251 VanDerWaalsContact O-NH1 3.12Å; I245-R251 PolarHBondContact O-NH2 3.03Å; D247-R251 WeakPolarHBondContact O-CB 3.37Å; D247-R251 PolarHBondContact O-N 3.2Å; D248-R251 WeakPolarHBondContact O-CB 3.32Å; D248-R251 IonicContact OD1-CZ 3.46Å; D248-R251 IonicContact OD1-NE 2.8Å; D248-R251 PolarHBondContact OD1-NE 3.18Å; D248-R251 IonicContact OD1-NH2 3.94Å; D248-R251 PolarHBondContact OD1-NH2 3.32Å; Y249-R251 VanDerWaalsContact C-N 3.32Å; Y249-R251 PolarHBondContact O-N 3.2Å; R251-K253 VanDerWaalsContact C-N 3.33Å; R251-K253 PolarHBondContact O-N 2.86Å; R251-A254 PolarHBondContact O-N 2.94Å; R251-M255 WeakPolarHBondContact O-CG 3.35Å; R251-M255 PolarHBondContact O-N 2.95Å; R251-M255 VanDerWaalsContact O-N 3.1Å; R251-F289 HydrophobicContact CG-CE1 4.46Å; R251-F289 HydrophobicContact CG-CZ 3.88Å
252Q88.6Confident88.9Confident78 Ų7842.3 Ų42.336%0.36421%0.213SC..Hα-helixtrans-59.7-42.8176.6-176.6-175.9-11.700111.5D248 Y249 H250 A254 M255 E256D248-Q252 WeakPolarHBondContact O-CB 3.5Å; D248-Q252 PolarHBondContact O-N 3.11Å; Y249-Q252 WeakPolarHBondContact O-CB 3.34Å; Y249-Q252 PolarHBondContact O-N 3.32Å; H250-Q252 VanDerWaalsContact C-N 3.35Å; H250-Q252 PolarHBondContact O-N 3.39Å; Q252-A254 PolarHBondContact O-N 3.44Å; Q252-M255 PolarHBondContact O-N 3.46Å; Q252-E256 HydrophobicContact CG-CG 4.44Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.39Å; Q252-E256 PolarHBondContact NE2-OE1 3.24Å; Q252-E256 WeakPolarHBondContact O-CG 3.23Å; Q252-E256 PolarHBondContact O-N 3Å
253K93Very high88.5Confident32 Ų3247 Ų4714%0.13924%0.238CC..Hα-helixtrans-67.1-34.9178.6-62.7-42.7179.3-168.50113.4C212 I213 Y249 H250 R251 M255 E256 A257C212-K253 HydrophobicContact CB-CB 3.93Å; C212-K253 WeakPolarHBondContact CB-O 3.49Å; I213-K253 HydrophobicContact CD1-CD 4.43Å; I213-K253 HydrophobicContact CD1-CG 4.11Å; I213-K253 HydrophobicContact CG1-CB 4.31Å; I213-K253 HydrophobicContact CG1-CD 4.04Å; I213-K253 HydrophobicContact CG1-CG 3.89Å; Y249-K253 HydrophobicContact CD1-CG 4.46Å; Y249-K253 HydrophobicContact CE1-CG 4.08Å; Y249-K253 HydrophobicContact CE2-CG 4.44Å; Y249-K253 WeakPolarHBondContact O-CG 3.33Å; Y249-K253 PolarHBondContact O-N 3.49Å; H250-K253 PolarHBondContact O-N 3.44Å; H250-K253 VanDerWaalsContact O-N 3.13Å; R251-K253 VanDerWaalsContact C-N 3.33Å; R251-K253 PolarHBondContact O-N 2.86Å; K253-M255 VanDerWaalsContact C-N 3.33Å; K253-E256 WeakPolarHBondContact CD-OE2 3.49Å; K253-E256 IonicContact NZ-OE1 3.86Å; K253-E256 PolarHBondContact NZ-OE1 2.96Å; K253-E256 IonicContact NZ-OE2 2.76Å; K253-E256 PolarHBondContact NZ-OE2 3.12Å; K253-A257 WeakPolarHBondContact O-CB 3.43Å; K253-A257 PolarHBondContact O-N 3.36Å; K253-A257 VanDerWaalsContact O-N 3.11Å
254A92.9Very high88Confident0 Ų051 Ų510%025%0.253CS..Hα-helixtrans-62.9-42.3172.200000111.2L238 L241 A242 H250 R251 Q252 A257 M258L238-A254 HydrophobicContact CD2-CB 4.24Å; L241-A254 HydrophobicContact CD2-CB 4.15Å; A242-A254 HydrophobicContact CB-CB 4.27Å; H250-A254 PolarHBondContact O-N 3.41Å; R251-A254 PolarHBondContact O-N 2.94Å; Q252-A254 PolarHBondContact O-N 3.44Å; A254-A257 PolarHBondContact O-N 3.44Å; A254-M258 WeakPolarHBondContact O-CB 3.31Å; A254-M258 PolarHBondContact O-N 2.88Å
255M89.5Confident87.3Confident2 Ų244.5 Ų44.51%0.0123%0.225CC..Hα-helixtrans-68.6-42177.2-69.2169.54700113.7A242 R251 Q252 K253 A257 M258 H259 F289 A295 L298 A299A242-M255 HydrophobicContact CB-CG 4.1Å; R251-M255 WeakPolarHBondContact O-CG 3.35Å; R251-M255 PolarHBondContact O-N 2.95Å; R251-M255 VanDerWaalsContact O-N 3.1Å; Q252-M255 PolarHBondContact O-N 3.46Å; K253-M255 VanDerWaalsContact C-N 3.33Å; M255-A257 VanDerWaalsContact C-N 3.3Å; M255-A257 PolarHBondContact O-N 3.48Å; M255-M258 PolarHBondContact O-N 3.44Å; M255-H259 WeakPolarHBondContact O-CB 3.31Å; M255-H259 PolarHBondContact O-N 2.92Å; M255-F289 HydrophobicContact CE-CD2 4.49Å; M255-F289 HydrophobicContact CE-CE2 4.01Å; M255-F289 HydrophobicContact CE-CZ 4.3Å; M255-F289 HydrophobicContact SD-CD2 4.23Å; M255-F289 HydrophobicContact SD-CE1 4.27Å; M255-F289 HydrophobicContact SD-CE2 3.24Å; M255-F289 WeakPolarHBondContact SD-CE2 3.41Å; M255-F289 HydrophobicContact SD-CZ 3.23Å; M255-F289 WeakPolarHBondContact SD-CZ 3.32Å; M255-A295 HydrophobicContact CE-CB 3.88Å; M255-A295 VanDerWaalsContact CE-O 3.28Å; M255-A295 WeakPolarHBondContact CE-O 3.41Å; M255-A295 HydrophobicContact SD-CB 4.16Å; M255-L298 HydrophobicContact CB-CD2 4.29Å; M255-L298 HydrophobicContact CE-CB 3.28Å; M255-L298 HydrophobicContact CE-CD2 4.39Å; M255-L298 HydrophobicContact CE-CG 4.34Å; M255-A299 HydrophobicContact CE-CB 4.34Å
256E90.6Very high86.3Confident63 Ų6346.3 Ų46.329%0.29424%0.24SC..Hα-helixtrans-58.4-44.5175.2-75171.8-16300110.8Q252 K253 L260 L298Q252-E256 HydrophobicContact CG-CG 4.44Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.39Å; Q252-E256 PolarHBondContact NE2-OE1 3.24Å; Q252-E256 WeakPolarHBondContact O-CG 3.23Å; Q252-E256 PolarHBondContact O-N 3Å; K253-E256 WeakPolarHBondContact CD-OE2 3.49Å; K253-E256 IonicContact NZ-OE1 3.86Å; K253-E256 PolarHBondContact NZ-OE1 2.96Å; K253-E256 IonicContact NZ-OE2 2.76Å; K253-E256 PolarHBondContact NZ-OE2 3.12Å; E256-L260 WeakPolarHBondContact O-CB 3.46Å; E256-L260 PolarHBondContact O-N 3Å; E256-L260 VanDerWaalsContact O-N 3.1Å; E256-L298 HydrophobicContact CG-CD2 3.95Å
257A94.2Very high85.3Confident1 Ų141.7 Ų41.71%0.00821%0.207CC..Hα-helixtrans-64.6-40.3176.100000112.2C212 A216 L238 K253 A254 M255 I261C212-A257 HydrophobicContact CB-CB 4.46Å; A216-A257 HydrophobicContact CB-CB 4.24Å; L238-A257 HydrophobicContact CD1-CB 4Å; L238-A257 HydrophobicContact CD2-CB 4.48Å; K253-A257 WeakPolarHBondContact O-CB 3.43Å; K253-A257 PolarHBondContact O-N 3.36Å; K253-A257 VanDerWaalsContact O-N 3.11Å; A254-A257 PolarHBondContact O-N 3.44Å; M255-A257 VanDerWaalsContact C-N 3.3Å; M255-A257 PolarHBondContact O-N 3.48Å; A257-I261 WeakPolarHBondContact O-CD1 3.37Å; A257-I261 VanDerWaalsContact O-CG1 3.25Å; A257-I261 WeakPolarHBondContact O-CG1 3.32Å; A257-I261 PolarHBondContact O-N 3.24Å
258M91.3Very high83.6Confident1 Ų142 Ų421%0.00521%0.208CC..Hα-helixtrans-65.4-45.7177.7-176.9173.666.400111.9V235 L238 A239 A254 M255 L260 I261 L262 L282 L285 C302V235-M258 HydrophobicContact CG1-CG 4Å; V235-M258 HydrophobicContact CG1-SD 4.12Å; L238-M258 HydrophobicContact CB-CB 4.01Å; L238-M258 HydrophobicContact CB-CG 4.48Å; L238-M258 HydrophobicContact CB-SD 4.47Å; L238-M258 HydrophobicContact CD1-CB 4.05Å; A239-M258 HydrophobicContact CB-SD 3.73Å; A254-M258 WeakPolarHBondContact O-CB 3.31Å; A254-M258 PolarHBondContact O-N 2.88Å; M255-M258 PolarHBondContact O-N 3.44Å; M258-L260 VanDerWaalsContact C-N 3.35Å; M258-L260 PolarHBondContact O-N 3.46Å; M258-I261 WeakPolarHBondContact O-CB 3.49Å; M258-I261 PolarHBondContact O-N 2.92Å; M258-L262 HydrophobicContact CG-CD1 4.08Å; M258-L262 WeakPolarHBondContact O-CG 3.43Å; M258-L262 PolarHBondContact O-N 3.47Å; M258-L282 HydrophobicContact CE-CD2 3.47Å; M258-L282 VanDerWaalsContact CE-CD2 3.47Å; M258-L282 HydrophobicContact SD-CD2 3.72Å; M258-L285 HydrophobicContact CE-CD1 4.28Å; M258-C302 HydrophobicContact CE-CB 4.21Å
259H88.4Confident82.2Confident50 Ų5038.5 Ų38.523%0.23119%0.192CC..Hα-helixtrans-59-46.5177.3-176.4-81000111.3M255 I261 L262 D263 S301M255-H259 WeakPolarHBondContact O-CB 3.31Å; M255-H259 PolarHBondContact O-N 2.92Å; H259-I261 PolarHBondContact O-N 3.12Å; H259-L262 PolarHBondContact O-N 2.81Å; H259-L262 VanDerWaalsContact O-N 3.17Å; H259-D263 PolarHBondContact O-N 3.41Å; H259-S301 PolarHBondContact CD2-OG 2.67Å; H259-S301 PolarHBondContact NE2-OG 3.27Å
260L91.1Very high80.5Confident27 Ų2738.9 Ų38.914%0.14121%0.209CC..Hα-helixtrans-58.5-36.4177.6179.575000112.8A216 L219 E220 K226 E256 M258A216-L260 HydrophobicContact CB-CD2 3.96Å; A216-L260 WeakPolarHBondContact O-CD2 3.35Å; L219-L260 HydrophobicContact CB-CD2 3.91Å; E220-L260 HydrophobicContact CG-CD1 3.76Å; E220-L260 HydrophobicContact CG-CD2 3.78Å; E220-L260 HydrophobicContact CG-CG 4.43Å; K226-L260 VanDerWaalsContact CE-O 3.28Å; K226-L260 WeakPolarHBondContact CE-O 3.3Å; K226-L260 PolarHBondContact NZ-O 3.26Å; E256-L260 WeakPolarHBondContact O-CB 3.46Å; E256-L260 PolarHBondContact O-N 3Å; E256-L260 VanDerWaalsContact O-N 3.1Å; M258-L260 VanDerWaalsContact C-N 3.35Å; M258-L260 PolarHBondContact O-N 3.46Å
261I90.7Very high79Confident0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-69.4-45.6177.6-72.6164.6000110.2L215 L219 A229 C230 A234 V235 L238 A257 M258 H259 C265L215-I261 HydrophobicContact CD2-CD1 4.23Å; L219-I261 HydrophobicContact CD1-CD1 3.87Å; L219-I261 HydrophobicContact CD1-CG1 3.44Å; L219-I261 VanDerWaalsContact CD1-CG1 3.44Å; A229-I261 HydrophobicContact CB-CD1 4.21Å; A229-I261 HydrophobicContact CB-CG1 4.37Å; C230-I261 WeakPolarHBondContact SG-CG2 3.3Å; A234-I261 HydrophobicContact CB-CD1 3.77Å; V235-I261 HydrophobicContact CG2-CG2 3.77Å; L238-I261 HydrophobicContact CD1-CD1 3.79Å; A257-I261 WeakPolarHBondContact O-CD1 3.37Å; A257-I261 VanDerWaalsContact O-CG1 3.25Å; A257-I261 WeakPolarHBondContact O-CG1 3.32Å; A257-I261 PolarHBondContact O-N 3.24Å; M258-I261 WeakPolarHBondContact O-CB 3.49Å; M258-I261 PolarHBondContact O-N 2.92Å; H259-I261 PolarHBondContact O-N 3.12Å; I261-C265 WeakPolarHBondContact O-CB 3.34Å; I261-C265 PolarHBondContact O-N 2.98Å; I261-C265 PolarHBondContact O-SG 2.95Å
262L86Confident77.6Confident2 Ų243.9 Ų43.91%0.0124%0.236CC..Hα-helixtrans-67.6-34.1-177.6-72.5172.9000113.4V235 M258 H259 E264 C265 L267 C302 I305V235-L262 HydrophobicContact CG1-CD1 4.29Å; V235-L262 HydrophobicContact CG1-CD2 4.04Å; V235-L262 HydrophobicContact CG1-CG 4.33Å; V235-L262 HydrophobicContact CG2-CD2 3.95Å; V235-L262 HydrophobicContact CG2-CG 4.33Å; M258-L262 HydrophobicContact CG-CD1 4.08Å; M258-L262 WeakPolarHBondContact O-CG 3.43Å; M258-L262 PolarHBondContact O-N 3.47Å; H259-L262 PolarHBondContact O-N 2.81Å; H259-L262 VanDerWaalsContact O-N 3.17Å; L262-E264 PolarHBondContact O-N 3.15Å; L262-C265 PolarHBondContact O-N 3.19Å; L262-L267 HydrophobicContact CD2-CD1 4.32Å; L262-L267 HydrophobicContact CD2-CD2 3.76Å; L262-L267 HydrophobicContact CD2-CG 4.41Å; L262-C302 HydrophobicContact CD1-CB 3.81Å; L262-I305 HydrophobicContact CB-CD1 4.33Å; L262-I305 HydrophobicContact CB-CG2 3.92Å; L262-I305 WeakPolarHBondContact O-CG2 3.48Å
263D81.4Confident76.2Confident99 Ų9946.9 Ų46.953%0.52925%0.246SC..THydrogen-bonded Turntrans-53.8-20.2-177.5-169.247.9000115H259H259-D263 PolarHBondContact O-N 3.41Å
264E73.4Confident74.7Confident116 Ų11646.5 Ų46.554%0.54225%0.251SS..THydrogen-bonded Turntrans-132.60.4176.2-69.2174.6-145.800114.2K226 L262K226-E264 HydrophobicContact CD-CB 3.9Å; K226-E264 HydrophobicContact CD-CG 4.24Å; K226-E264 IonicContact NZ-OE1 3.48Å; K226-E264 PolarHBondContact NZ-OE1 3.35Å; K226-E264 IonicContact NZ-OE2 3.48Å; L262-E264 PolarHBondContact O-N 3.15Å
265C70.5Confident73.3Confident5 Ų549 Ų493%0.03427%0.267CS..  trans-85.2119.9-178.8-88.30000110.6K226 C230 I261 L262 L267K226-C265 PolarHBondContact O-SG 3.01Å; K226-C265 VanDerWaalsContact O-SG 3.38Å; C230-C265 HydrophobicContact CB-CB 4.2Å; C230-C265 WeakPolarHBondContact CB-SG 3.46Å; C230-C265 WeakPolarHBondContact SG-CB 3.49Å; C230-C265 CovalentContact SG-SG 2.05Å; C230-C265 PolarHBondContact SG-SG 3.23Å; I261-C265 WeakPolarHBondContact O-CB 3.34Å; I261-C265 PolarHBondContact O-N 2.98Å; I261-C265 PolarHBondContact O-SG 2.95Å; L262-C265 PolarHBondContact O-N 3.19Å; C265-L267 PolarHBondContact O-N 3.28Å; C265-L267 VanDerWaalsContact O-N 3.13Å
266S65.6Low72.2Confident62 Ų6253.6 Ų53.643%0.43430%0.295SS..  trans-69.2109163.963.30000108.8L268 A269S266-L268 PolarHBondContact O-N 2.93Å; S266-A269 PolarHBondContact O-N 3.47Å
267L62.5Low71.4Confident12 Ų1255.4 Ų55.46%0.06330%0.302CS..THydrogen-bonded Turntrans-67.9-15.2-179.6-68.7165.9000112.9L262 C265 A269 F272 F306 D309L262-L267 HydrophobicContact CD2-CD1 4.32Å; L262-L267 HydrophobicContact CD2-CD2 3.76Å; L262-L267 HydrophobicContact CD2-CG 4.41Å; C265-L267 PolarHBondContact O-N 3.28Å; C265-L267 VanDerWaalsContact O-N 3.13Å; L267-A269 PolarHBondContact O-N 3.43Å; L267-F272 HydrophobicContact CD2-CD1 4.33Å; L267-F272 HydrophobicContact CD2-CD2 4.07Å; L267-F272 HydrophobicContact CD2-CE1 3.76Å; L267-F272 HydrophobicContact CD2-CE2 3.46Å; L267-F272 VanDerWaalsContact CD2-CE2 3.46Å; L267-F272 HydrophobicContact CD2-CG 4.47Å; L267-F272 HydrophobicContact CD2-CZ 3.28Å; L267-F306 HydrophobicContact CD1-CB 3.95Å; L267-F306 HydrophobicContact CD1-CD2 3.3Å; L267-F306 HydrophobicContact CD1-CE2 3.83Å; L267-F306 HydrophobicContact CD1-CG 3.74Å; L267-F306 HydrophobicContact CD2-CD2 3.89Å; L267-F306 HydrophobicContact CD2-CE2 3.85Å; L267-F306 HydrophobicContact CG-CD2 4.21Å; L267-F306 HydrophobicContact CG-CE2 4.37Å; L267-D309 HydrophobicContact CB-CB 4.27Å; L267-D309 HydrophobicContact CD1-CB 4.39Å; L267-D309 PolarHBondContact N-OD2 3.27Å; L267-D309 VanDerWaalsContact N-OD2 3.13Å
268L53Low70.4Confident91 Ų9155.4 Ų55.448%0.47630%0.301SS..THydrogen-bonded Turntrans-73.2-1175.4-61.4172.9000114.4S266S266-L268 PolarHBondContact O-N 2.93Å
269A55.7Low69.6Low18 Ų1856 Ų5615%0.14931%0.307CS..  trans-61.3131.617900000110.5S266 L267 N271 F272S266-A269 PolarHBondContact O-N 3.47Å; L267-A269 PolarHBondContact O-N 3.43Å; A269-N271 PolarHBondContact O-N 2.91Å; A269-F272 VanDerWaalsContact O-CB 3.3Å; A269-F272 WeakPolarHBondContact O-CB 3.45Å; A269-F272 PolarHBondContact O-N 2.79Å
270P53.5Low69.1Low131 Ų13158.7 Ų58.785%0.85132%0.319SS*.THydrogen-bonded Turntrans-61.4-15.8-173.520.6-31.7000114.3
271N57.4Low68.5Low113 Ų11358.9 Ų58.960%0.60432%0.319SS*.THydrogen-bonded Turntrans-100.96.3177.4-61-34000113.2A269 Y273A269-N271 PolarHBondContact O-N 2.91Å; N271-Y273 PolarHBondContact O-N 2.8Å
272F60.7Low67.9Low18 Ų1859 Ų598%0.07932%0.32CS..  trans-65.5112.4177-168.4-100.5000109.2C230 V235 L267 A269 G274 P275 V278 F306C230-F272 HydrophobicContact CB-CD2 4.1Å; C230-F272 HydrophobicContact CB-CE2 3.97Å; V235-F272 HydrophobicContact CB-CZ 4.31Å; V235-F272 HydrophobicContact CG2-CE2 4.29Å; V235-F272 HydrophobicContact CG2-CZ 4.36Å; L267-F272 HydrophobicContact CD2-CD1 4.33Å; L267-F272 HydrophobicContact CD2-CD2 4.07Å; L267-F272 HydrophobicContact CD2-CE1 3.76Å; L267-F272 HydrophobicContact CD2-CE2 3.46Å; L267-F272 VanDerWaalsContact CD2-CE2 3.46Å; L267-F272 HydrophobicContact CD2-CG 4.47Å; L267-F272 HydrophobicContact CD2-CZ 3.28Å; A269-F272 VanDerWaalsContact O-CB 3.3Å; A269-F272 WeakPolarHBondContact O-CB 3.45Å; A269-F272 PolarHBondContact O-N 2.79Å; F272-G274 PolarHBondContact O-N 3.31Å; F272-G274 VanDerWaalsContact O-N 3.09Å; F272-P275 HydrophobicContact CD1-CB 4Å; F272-P275 HydrophobicContact CD1-CG 4.44Å; F272-P275 HydrophobicContact CE1-CB 4.24Å; F272-V278 HydrophobicContact CE1-CB 4.33Å; F272-V278 HydrophobicContact CE1-CG2 3.95Å; F272-V278 HydrophobicContact CZ-CG1 4.48Å; F272-V278 HydrophobicContact CZ-CG2 4.11Å; F272-F306 AromaticContact CE1-CE2 3.98Å; F272-F306 HydrophobicContact CE1-CE2 3.98Å; F272-F306 HydrophobicContact CZ-CE2 4.34Å
273Y58.9Low67.5Low142 Ų14264.5 Ų64.556%0.55734%0.344SS*.  trans-72.3109.4-173.9-172.3-95.1000110.7N271N271-Y273 PolarHBondContact O-N 2.8Å
274G61Low67.4Low24 Ų2464.6 Ų64.625%0.24734%0.341CS..  trans6559.8165.100000114.9F272 V276 K277 V278F272-G274 PolarHBondContact O-N 3.31Å; F272-G274 VanDerWaalsContact O-N 3.09Å; G274-V276 PolarHBondContact O-N 3.04Å; G274-V276 VanDerWaalsContact O-N 3.15Å; G274-K277 PolarHBondContact O-N 2.9Å; G274-V278 PolarHBondContact O-N 3.44Å
275P63.7Low67.6Low51 Ų5159.1 Ų59.133%0.33132%0.315SS..Hα-helixtrans-51.4-39.2175.919-29.6000112.1F272 K277 V278 A279 F306F272-P275 HydrophobicContact CD1-CB 4Å; F272-P275 HydrophobicContact CD1-CG 4.44Å; F272-P275 HydrophobicContact CE1-CB 4.24Å; P275-K277 PolarHBondContact O-N 3.44Å; P275-V278 PolarHBondContact O-N 2.88Å; P275-A279 WeakPolarHBondContact O-CB 3.46Å; P275-A279 PolarHBondContact O-N 3.49Å; P275-F306 HydrophobicContact CB-CZ 3.83Å; P275-F306 VanDerWaalsContact O-CZ 3.23Å; P275-F306 WeakPolarHBondContact O-CZ 3.4Å
276V67.1Low68Low100 Ų10059.8 Ų59.861%0.60632%0.321SS*.Hα-helixtrans-58.7-46.8175.1-176.40000112.1G274 V278 A279 E280G274-V276 PolarHBondContact O-N 3.04Å; G274-V276 VanDerWaalsContact O-N 3.15Å; V276-V278 VanDerWaalsContact C-N 3.34Å; V276-V278 PolarHBondContact O-N 3.16Å; V276-A279 PolarHBondContact O-N 3.02Å; V276-E280 WeakPolarHBondContact O-CB 3.26Å; V276-E280 VanDerWaalsContact O-CG 3.3Å; V276-E280 WeakPolarHBondContact O-CG 3.41Å; V276-E280 PolarHBondContact O-N 3.46Å
277K72.9Confident68.5Low100 Ų10062.9 Ų62.944%0.43533%0.329SS..Hα-helixtrans-68.2-35179.3-69-176177.8178.40112.1Y236 G274 P275 K281Y236-K277 HydrophobicContact CD2-CB 4.09Å; Y236-K277 HydrophobicContact CE2-CB 3.89Å; Y236-K277 HydrophobicContact CE2-CD 4.49Å; G274-K277 PolarHBondContact O-N 2.9Å; P275-K277 PolarHBondContact O-N 3.44Å; K277-K281 WeakPolarHBondContact O-CB 3.34Å; K277-K281 WeakPolarHBondContact O-CG 3.34Å; K277-K281 PolarHBondContact O-N 3.29Å; K277-K281 VanDerWaalsContact O-N 3.08Å
278V73.9Confident69.1Low1 Ų166.7 Ų66.71%0.00635%0.345CS..Hα-helixtrans-65.9-48.5174.5173.80000110V235 Y236 F272 G274 P275 V276 E280 K281 L282 F306V235-V278 HydrophobicContact CB-CG1 4.46Å; V235-V278 HydrophobicContact CG1-CG1 3.53Å; Y236-V278 HydrophobicContact CD2-CG2 4.41Å; F272-V278 HydrophobicContact CE1-CB 4.33Å; F272-V278 HydrophobicContact CE1-CG2 3.95Å; F272-V278 HydrophobicContact CZ-CG1 4.48Å; F272-V278 HydrophobicContact CZ-CG2 4.11Å; G274-V278 PolarHBondContact O-N 3.44Å; P275-V278 PolarHBondContact O-N 2.88Å; V276-V278 VanDerWaalsContact C-N 3.34Å; V276-V278 PolarHBondContact O-N 3.16Å; V278-E280 VanDerWaalsContact C-N 3.35Å; V278-E280 PolarHBondContact O-N 2.98Å; V278-K281 PolarHBondContact O-N 3.37Å; V278-K281 VanDerWaalsContact O-N 3.14Å; V278-L282 HydrophobicContact CG1-CD1 3.89Å; V278-L282 HydrophobicContact CG1-CG 4.23Å; V278-L282 WeakPolarHBondContact O-CG 3.42Å; V278-L282 PolarHBondContact O-N 3.43Å; V278-F306 HydrophobicContact CB-CE2 3.9Å; V278-F306 HydrophobicContact CB-CZ 4.27Å; V278-F306 HydrophobicContact CG1-CD2 3.85Å; V278-F306 HydrophobicContact CG1-CE2 3.47Å; V278-F306 VanDerWaalsContact CG1-CE2 3.47Å; V278-F306 HydrophobicContact CG1-CZ 4.24Å
279A73.6Confident70.1Confident14 Ų1462.4 Ų62.412%0.11632%0.323CS..Hα-helixtrans-58.9-44.5177.300000112P275 V276 K281 L282 K283 F306P275-A279 WeakPolarHBondContact O-CB 3.46Å; P275-A279 PolarHBondContact O-N 3.49Å; V276-A279 PolarHBondContact O-N 3.02Å; A279-K281 VanDerWaalsContact C-N 3.34Å; A279-K281 PolarHBondContact O-N 3.01Å; A279-L282 PolarHBondContact O-N 2.88Å; A279-K283 WeakPolarHBondContact O-CB 3.42Å; A279-K283 VanDerWaalsContact O-CG 3.26Å; A279-K283 WeakPolarHBondContact O-CG 3.33Å; A279-K283 PolarHBondContact O-N 3.29Å; A279-F306 HydrophobicContact CB-CD1 4.16Å; A279-F306 HydrophobicContact CB-CE1 3.58Å; A279-F306 HydrophobicContact CB-CZ 4.13Å
280E77.9Confident70.7Confident106 Ų10668.5 Ų68.550%0.49534%0.342SS..Hα-helixtrans-57.4-47174.1-75.8172174.100111.2V276 V278 K283 E284V276-E280 WeakPolarHBondContact O-CB 3.26Å; V276-E280 VanDerWaalsContact O-CG 3.3Å; V276-E280 WeakPolarHBondContact O-CG 3.41Å; V276-E280 PolarHBondContact O-N 3.46Å; V278-E280 VanDerWaalsContact C-N 3.35Å; V278-E280 PolarHBondContact O-N 2.98Å; E280-K283 PolarHBondContact O-N 3.27Å; E280-E284 WeakPolarHBondContact O-CG 3.31Å; E280-E284 PolarHBondContact O-N 3.38Å
281K79Confident71.3Confident32 Ų3269.3 Ų69.314%0.13934%0.338CS..Hα-helixtrans-67.3-39178.7-77.6-70.4172.2-162.40113.5Y236 A239 D240 K277 V278 A279 K283 E284 L285Y236-K281 HydrophobicContact CE2-CG 4.16Å; A239-K281 HydrophobicContact CB-CB 3.84Å; D240-K281 HydrophobicContact CB-CD 4.45Å; D240-K281 VanDerWaalsContact OD1-CE 3.29Å; D240-K281 WeakPolarHBondContact OD1-CE 3.43Å; D240-K281 IonicContact OD1-NZ 3.53Å; K277-K281 WeakPolarHBondContact O-CB 3.34Å; K277-K281 WeakPolarHBondContact O-CG 3.34Å; K277-K281 PolarHBondContact O-N 3.29Å; K277-K281 VanDerWaalsContact O-N 3.08Å; V278-K281 PolarHBondContact O-N 3.37Å; V278-K281 VanDerWaalsContact O-N 3.14Å; A279-K281 VanDerWaalsContact C-N 3.34Å; A279-K281 PolarHBondContact O-N 3.01Å; K281-K283 VanDerWaalsContact C-N 3.33Å; K281-E284 WeakPolarHBondContact CD-OE2 3.43Å; K281-E284 IonicContact NZ-OE2 2.73Å; K281-E284 PolarHBondContact NZ-OE2 3.18Å; K281-E284 PolarHBondContact O-N 2.86Å; K281-L285 VanDerWaalsContact O-CG 3.31Å; K281-L285 WeakPolarHBondContact O-CG 3.03Å; K281-L285 PolarHBondContact O-N 2.99Å
282L77.3Confident71.9Confident3 Ų367.1 Ų67.12%0.01632%0.324CS..Hα-helixtrans-65.8-37.3175-69.8176.1000111.5A239 M258 V278 A279 L285 A286 C302 M303 F306A239-L282 HydrophobicContact CB-CD2 4.45Å; M258-L282 HydrophobicContact CE-CD2 3.47Å; M258-L282 VanDerWaalsContact CE-CD2 3.47Å; M258-L282 HydrophobicContact SD-CD2 3.72Å; V278-L282 HydrophobicContact CG1-CD1 3.89Å; V278-L282 HydrophobicContact CG1-CG 4.23Å; V278-L282 WeakPolarHBondContact O-CG 3.42Å; V278-L282 PolarHBondContact O-N 3.43Å; A279-L282 PolarHBondContact O-N 2.88Å; L282-L285 HydrophobicContact CD2-CD1 4.45Å; L282-L285 PolarHBondContact O-N 3.45Å; L282-A286 WeakPolarHBondContact O-CB 3.44Å; L282-A286 PolarHBondContact O-N 3.32Å; L282-C302 HydrophobicContact CD2-CB 4.05Å; L282-M303 HydrophobicContact CB-CG 3.83Å; L282-M303 HydrophobicContact CB-SD 4.42Å; L282-F306 HydrophobicContact CD1-CB 3.88Å; L282-F306 HydrophobicContact CD1-CD2 3.91Å; L282-F306 HydrophobicContact CD1-CG 3.89Å
283K77.7Confident72.1Confident117 Ų11774.6 Ų74.651%0.50936%0.359SS..Hα-helixtrans-64.5-45.9172.6-73.9171.4-175.5175.80111.9A279 E280 K281 L285 A286 E287 M303A279-K283 WeakPolarHBondContact O-CB 3.42Å; A279-K283 VanDerWaalsContact O-CG 3.26Å; A279-K283 WeakPolarHBondContact O-CG 3.33Å; A279-K283 PolarHBondContact O-N 3.29Å; E280-K283 PolarHBondContact O-N 3.27Å; K281-K283 VanDerWaalsContact C-N 3.33Å; K283-L285 VanDerWaalsContact C-N 3.28Å; K283-L285 PolarHBondContact O-N 2.96Å; K283-A286 PolarHBondContact O-N 3.44Å; K283-E287 PolarHBondContact O-N 3Å; K283-M303 HydrophobicContact CB-SD 4.47Å; K283-M303 HydrophobicContact CG-SD 3.86Å
284E79.1Confident72.3Confident100 Ų10072.5 Ų72.547%0.46737%0.366SS..Hα-helixtrans-56.3-44.4174.3-75.2176.6-171.700111.4E280 K281 F288E280-E284 WeakPolarHBondContact O-CG 3.31Å; E280-E284 PolarHBondContact O-N 3.38Å; K281-E284 WeakPolarHBondContact CD-OE2 3.43Å; K281-E284 IonicContact NZ-OE2 2.73Å; K281-E284 PolarHBondContact NZ-OE2 3.18Å; K281-E284 PolarHBondContact O-N 2.86Å; E284-F288 WeakPolarHBondContact O-CB 3.41Å; E284-F288 PolarHBondContact O-N 2.99Å
285L78.7Confident72.5Confident2 Ų271.8 Ų71.81%0.0136%0.358CS..Hα-helixtrans-64.2-46.2176-74.1172.5000112.3A239 A242 M258 K281 L282 K283 E287 F288 F289A239-L285 HydrophobicContact CB-CD1 3.95Å; A242-L285 HydrophobicContact CB-CD1 4.13Å; A242-L285 HydrophobicContact CB-CD2 3.76Å; M258-L285 HydrophobicContact CE-CD1 4.28Å; K281-L285 VanDerWaalsContact O-CG 3.31Å; K281-L285 WeakPolarHBondContact O-CG 3.03Å; K281-L285 PolarHBondContact O-N 2.99Å; L282-L285 HydrophobicContact CD2-CD1 4.45Å; L282-L285 PolarHBondContact O-N 3.45Å; K283-L285 VanDerWaalsContact C-N 3.28Å; K283-L285 PolarHBondContact O-N 2.96Å; L285-E287 VanDerWaalsContact C-N 3.31Å; L285-E287 PolarHBondContact O-N 3.43Å; L285-F288 WeakPolarHBondContact O-CB 3.3Å; L285-F288 PolarHBondContact O-N 2.76Å; L285-F289 HydrophobicContact CB-CD2 4.27Å; L285-F289 HydrophobicContact CB-CE2 4.2Å; L285-F289 HydrophobicContact CD2-CE2 3.89Å; L285-F289 WeakPolarHBondContact O-CD2 3.31Å; L285-F289 WeakPolarHBondContact O-CG 3.47Å; L285-F289 PolarHBondContact O-N 3.22Å
286A77.7Confident72.6Confident19 Ų1975.7 Ų75.716%0.15737%0.366CS..Hα-helixtrans-61.2-40.8179.300000111.9L282 K283 F289 R290 M303L282-A286 WeakPolarHBondContact O-CB 3.44Å; L282-A286 PolarHBondContact O-N 3.32Å; K283-A286 PolarHBondContact O-N 3.44Å; A286-F289 PolarHBondContact O-N 2.99Å; A286-R290 PolarHBondContact O-N 2.74Å; A286-M303 HydrophobicContact CB-CE 3.34Å; A286-M303 HydrophobicContact CB-SD 3.86Å
287E77.9Confident72.9Confident127 Ų12776.3 Ų76.359%0.59337%0.366SS*.Hα-helixtrans-66.4-41.2174.2-74.9-56.7139.600112.1K283 L285 F289 R290K283-E287 PolarHBondContact O-N 3Å; L285-E287 VanDerWaalsContact C-N 3.31Å; L285-E287 PolarHBondContact O-N 3.43Å; E287-F289 PolarHBondContact O-N 3.32Å; E287-R290 VanDerWaalsContact O-CB 3.27Å; E287-R290 WeakPolarHBondContact O-CB 3.21Å; E287-R290 PolarHBondContact O-N 2.93Å; E287-R290 IonicContact OE2-NE 3.87Å
288F74.4Confident72.9Confident92 Ų9273.7 Ų73.740%0.40436%0.356SS..Hα-helixtrans-60.3-45.2174.9-178.1-92.5000111.7E284 L285 R290E284-F288 WeakPolarHBondContact O-CB 3.41Å; E284-F288 PolarHBondContact O-N 2.99Å; L285-F288 WeakPolarHBondContact O-CB 3.3Å; L285-F288 PolarHBondContact O-N 2.76Å; F288-R290 VanDerWaalsContact C-N 3.32Å; F288-R290 PolarHBondContact O-N 2.78Å
289F73.7Confident72.7Confident1 Ų173.8 Ų73.80%0.00436%0.357CS..Hα-helixtrans-82.6-3.1179.8-64.3-57.8000114.5R251 M255 L285 A286 E287 L291 Q292 A295 R296 A299R251-F289 HydrophobicContact CG-CE1 4.46Å; R251-F289 HydrophobicContact CG-CZ 3.88Å; M255-F289 HydrophobicContact CE-CD2 4.49Å; M255-F289 HydrophobicContact CE-CE2 4.01Å; M255-F289 HydrophobicContact CE-CZ 4.3Å; M255-F289 HydrophobicContact SD-CD2 4.23Å; M255-F289 HydrophobicContact SD-CE1 4.27Å; M255-F289 HydrophobicContact SD-CE2 3.24Å; M255-F289 WeakPolarHBondContact SD-CE2 3.41Å; M255-F289 HydrophobicContact SD-CZ 3.23Å; M255-F289 WeakPolarHBondContact SD-CZ 3.32Å; L285-F289 HydrophobicContact CB-CD2 4.27Å; L285-F289 HydrophobicContact CB-CE2 4.2Å; L285-F289 HydrophobicContact CD2-CE2 3.89Å; L285-F289 WeakPolarHBondContact O-CD2 3.31Å; L285-F289 WeakPolarHBondContact O-CG 3.47Å; L285-F289 PolarHBondContact O-N 3.22Å; A286-F289 PolarHBondContact O-N 2.99Å; E287-F289 PolarHBondContact O-N 3.32Å; F289-L291 PolarHBondContact O-N 3.18Å; F289-Q292 HydrophobicContact CD1-CB 4.14Å; F289-Q292 CarbonylContact O-C 3.26Å; F289-Q292 PolarHBondContact O-N 3.46Å; F289-Q292 VanDerWaalsContact O-O 3.13Å; F289-A295 HydrophobicContact CB-CB 4.4Å; F289-A295 HydrophobicContact CD1-CB 3.22Å; F289-A295 HydrophobicContact CD2-CB 4.19Å; F289-A295 HydrophobicContact CE1-CB 3.24Å; F289-A295 HydrophobicContact CE2-CB 4.22Å; F289-A295 HydrophobicContact CG-CB 3.71Å; F289-A295 HydrophobicContact CZ-CB 3.74Å; F289-R296 HydrophobicContact CB-CB 4.45Å; F289-R296 WeakPolarHBondContact O-CB 3.44Å; F289-A299 HydrophobicContact CD2-CB 3.68Å; F289-A299 HydrophobicContact CE2-CB 4.36Å
290R68.8Low72.7Confident145 Ų14578.6 Ų78.655%0.54738%0.375SS..THydrogen-bonded Turntrans-54.5-24.8175-161.1179.473.292.33.4112.1A286 E287 F288A286-R290 PolarHBondContact O-N 2.74Å; E287-R290 VanDerWaalsContact O-CB 3.27Å; E287-R290 WeakPolarHBondContact O-CB 3.21Å; E287-R290 PolarHBondContact O-N 2.93Å; E287-R290 IonicContact OE2-NE 3.87Å; F288-R290 VanDerWaalsContact C-N 3.32Å; F288-R290 PolarHBondContact O-N 2.78Å
291L66.3Low72.7Confident149 Ų14975.5 Ų75.578%0.7837%0.365SS*.THydrogen-bonded Turntrans-100-5.5177.8-58.6177000114.7F289F289-L291 PolarHBondContact O-N 3.18Å
292Q69Low72.5Confident67 Ų6774 Ų7431%0.31336%0.359SS..  trans-122.1105.5-176.2-69.1-173-12.900111.1F289 S294 A295 R296F289-Q292 HydrophobicContact CD1-CB 4.14Å; F289-Q292 CarbonylContact O-C 3.26Å; F289-Q292 PolarHBondContact O-N 3.46Å; F289-Q292 VanDerWaalsContact O-O 3.13Å; Q292-S294 PolarHBondContact O-N 2.82Å; Q292-A295 PolarHBondContact O-N 3.42Å; Q292-R296 WeakPolarHBondContact O-CB 3.28Å; Q292-R296 PolarHBondContact O-N 3.35Å; Q292-R296 VanDerWaalsContact O-N 3.13Å
293E64.5Low72.3Confident174 Ų17475.8 Ų75.881%0.81337%0.367SS*.Hα-helixtrans-59-42.8-169.4-162.7166.7-160.700114A295E293-A295 VanDerWaalsContact C-N 3.34Å; E293-A295 PolarHBondContact O-N 3.22Å
294S63.6Low72.3Confident99 Ų9973.5 Ų73.569%0.69236%0.361SS*.Hα-helixtrans-68.8-25.7-173.955.80000115.3Q292Q292-S294 PolarHBondContact O-N 2.82Å
295A65.5Low72.1Confident9 Ų970.4 Ų70.47%0.07435%0.347CS..Hα-helixtrans-107.8-14.7-177.300000112.5M255 F289 Q292 E293 D297 L298 A299M255-A295 HydrophobicContact CE-CB 3.88Å; M255-A295 VanDerWaalsContact CE-O 3.28Å; M255-A295 WeakPolarHBondContact CE-O 3.41Å; M255-A295 HydrophobicContact SD-CB 4.16Å; F289-A295 HydrophobicContact CB-CB 4.4Å; F289-A295 HydrophobicContact CD1-CB 3.22Å; F289-A295 HydrophobicContact CD2-CB 4.19Å; F289-A295 HydrophobicContact CE1-CB 3.24Å; F289-A295 HydrophobicContact CE2-CB 4.22Å; F289-A295 HydrophobicContact CG-CB 3.71Å; F289-A295 HydrophobicContact CZ-CB 3.74Å; Q292-A295 PolarHBondContact O-N 3.42Å; E293-A295 VanDerWaalsContact C-N 3.34Å; E293-A295 PolarHBondContact O-N 3.22Å; A295-D297 VanDerWaalsContact C-N 3.34Å; A295-D297 PolarHBondContact O-N 3.29Å; A295-L298 PolarHBondContact O-N 2.98Å; A295-A299 WeakPolarHBondContact O-CB 3.31Å; A295-A299 PolarHBondContact O-N 3.18Å
296R65.7Low71.6Confident132 Ų13270.5 Ų70.550%0.49835%0.348SS..Hα-helixtrans-58.6-45176.5-174178.1174.5-174.3-4.2112.2F289 Q292 A299 K300F289-R296 HydrophobicContact CB-CB 4.45Å; F289-R296 WeakPolarHBondContact O-CB 3.44Å; Q292-R296 WeakPolarHBondContact O-CB 3.28Å; Q292-R296 PolarHBondContact O-N 3.35Å; Q292-R296 VanDerWaalsContact O-N 3.13Å; R296-A299 PolarHBondContact O-N 3.28Å; R296-K300 VanDerWaalsContact O-CB 3.28Å; R296-K300 WeakPolarHBondContact O-CB 3.29Å; R296-K300 PolarHBondContact O-N 3.48Å
297D72.8Confident71.1Confident114 Ų11473.3 Ų73.361%0.6136%0.359SS*.Hα-helixtrans-67.6-41.8-176.3-68.3-20.6000111.8A295 S301A295-D297 VanDerWaalsContact C-N 3.34Å; A295-D297 PolarHBondContact O-N 3.29Å; D297-S301 VanDerWaalsContact O-CB 3.3Å; D297-S301 WeakPolarHBondContact O-CB 3.38Å; D297-S301 PolarHBondContact O-N 2.99Å
298L73.3Confident70.4Confident44 Ų4474 Ų7423%0.2336%0.363CS..Hα-helixtrans-65.3-43.7175.1-86.6100.7000112.2M255 E256 A295 K300 S301 C302M255-L298 HydrophobicContact CB-CD2 4.29Å; M255-L298 HydrophobicContact CE-CB 3.28Å; M255-L298 HydrophobicContact CE-CD2 4.39Å; M255-L298 HydrophobicContact CE-CG 4.34Å; E256-L298 HydrophobicContact CG-CD2 3.95Å; A295-L298 PolarHBondContact O-N 2.98Å; L298-K300 VanDerWaalsContact C-N 3.34Å; L298-S301 PolarHBondContact O-N 3.45Å; L298-C302 PolarHBondContact O-N 3.43Å; L298-C302 PolarHBondContact O-SG 3.5Å
299A70.3Confident69.5Low3 Ų372.1 Ų72.13%0.02536%0.357CS..Hα-helixtrans-65.5-40.3179.600000111.6M255 F289 A295 R296 C302 M303M255-A299 HydrophobicContact CE-CB 4.34Å; F289-A299 HydrophobicContact CD2-CB 3.68Å; F289-A299 HydrophobicContact CE2-CB 4.36Å; A295-A299 WeakPolarHBondContact O-CB 3.31Å; A295-A299 PolarHBondContact O-N 3.18Å; R296-A299 PolarHBondContact O-N 3.28Å; A299-C302 PolarHBondContact O-N 2.82Å; A299-M303 PolarHBondContact O-N 3.33Å; A299-M303 VanDerWaalsContact O-N 3.08Å
300K73.3Confident68.4Low116 Ų11676.6 Ų76.650%0.50438%0.381SS..Hα-helixtrans-64.1-47.1173.9-170.9-175.1172.1-1650111.2R296 L298 C302 M303 D304R296-K300 VanDerWaalsContact O-CB 3.28Å; R296-K300 WeakPolarHBondContact O-CB 3.29Å; R296-K300 PolarHBondContact O-N 3.48Å; L298-K300 VanDerWaalsContact C-N 3.34Å; K300-C302 VanDerWaalsContact C-N 3.28Å; K300-C302 PolarHBondContact O-N 2.9Å; K300-M303 CarbonylContact O-C 3.51Å; K300-M303 WeakPolarHBondContact O-CA 3.28Å; K300-M303 WeakPolarHBondContact O-CB 3.18Å; K300-M303 PolarHBondContact O-N 3.35Å; K300-D304 PolarHBondContact O-N 3.42Å
301S78.4Confident67.2Low41 Ų4175.2 Ų75.229%0.28739%0.388SS..Hα-helixtrans-55.7-43.3176.2-166.70000111.8H259 D297 L298 M303 D304 I305H259-S301 PolarHBondContact CD2-OG 2.67Å; H259-S301 PolarHBondContact NE2-OG 3.27Å; D297-S301 VanDerWaalsContact O-CB 3.3Å; D297-S301 WeakPolarHBondContact O-CB 3.38Å; D297-S301 PolarHBondContact O-N 2.99Å; L298-S301 PolarHBondContact O-N 3.45Å; S301-M303 VanDerWaalsContact C-N 3.34Å; S301-M303 PolarHBondContact O-N 3Å; S301-D304 PolarHBondContact O-N 3.24Å; S301-I305 WeakPolarHBondContact O-CD1 3.35Å; S301-I305 VanDerWaalsContact O-CG1 3.28Å; S301-I305 WeakPolarHBondContact O-CG1 3.48Å; S301-I305 PolarHBondContact O-N 3.4Å
302C75.3Confident65.9Low0 Ų075.3 Ų75.30%038%0.384CS..Hα-helixtrans-63.5-37.3175.2-64.40000112.8M258 L262 L282 L298 A299 K300 F306M258-C302 HydrophobicContact CE-CB 4.21Å; L262-C302 HydrophobicContact CD1-CB 3.81Å; L282-C302 HydrophobicContact CD2-CB 4.05Å; L298-C302 PolarHBondContact O-N 3.43Å; L298-C302 PolarHBondContact O-SG 3.5Å; A299-C302 PolarHBondContact O-N 2.82Å; K300-C302 VanDerWaalsContact C-N 3.28Å; K300-C302 PolarHBondContact O-N 2.9Å; C302-F306 VanDerWaalsContact O-CB 3.29Å; C302-F306 WeakPolarHBondContact O-CB 3.35Å; C302-F306 PolarHBondContact O-N 2.9Å; C302-F306 VanDerWaalsContact O-N 3.08Å
303M72.2Confident64.1Low40 Ų4074 Ų7420%0.19739%0.39CS..Hα-helixtrans-70.9-39.9175.6-77-148.6-5500112.6L282 K283 A286 A299 K300 S301 F306 L307L282-M303 HydrophobicContact CB-CG 3.83Å; L282-M303 HydrophobicContact CB-SD 4.42Å; K283-M303 HydrophobicContact CB-SD 4.47Å; K283-M303 HydrophobicContact CG-SD 3.86Å; A286-M303 HydrophobicContact CB-CE 3.34Å; A286-M303 HydrophobicContact CB-SD 3.86Å; A299-M303 PolarHBondContact O-N 3.33Å; A299-M303 VanDerWaalsContact O-N 3.08Å; K300-M303 CarbonylContact O-C 3.51Å; K300-M303 WeakPolarHBondContact O-CA 3.28Å; K300-M303 WeakPolarHBondContact O-CB 3.18Å; K300-M303 PolarHBondContact O-N 3.35Å; S301-M303 VanDerWaalsContact C-N 3.34Å; S301-M303 PolarHBondContact O-N 3Å; M303-F306 PolarHBondContact O-N 3.43Å; M303-F306 VanDerWaalsContact O-N 3.13Å; M303-L307 WeakPolarHBondContact O-CB 3.09Å; M303-L307 VanDerWaalsContact O-CG 3.28Å; M303-L307 WeakPolarHBondContact O-CG 3.22Å; M303-L307 PolarHBondContact O-N 3.41Å
304D78.6Confident62.7Low70 Ų7071.5 Ų71.537%0.37439%0.388SS..Hα-helixtrans-63.2-46.6179.4-67.4-17.1000109.4K300 S301 F306 L307 E308K300-D304 PolarHBondContact O-N 3.42Å; S301-D304 PolarHBondContact O-N 3.24Å; D304-F306 VanDerWaalsContact C-N 3.26Å; D304-F306 PolarHBondContact O-N 2.89Å; D304-L307 PolarHBondContact O-N 3.49Å; D304-E308 WeakPolarHBondContact O-CB 3.48Å; D304-E308 WeakPolarHBondContact O-CG 3.17Å; D304-E308 PolarHBondContact O-N 2.99Å
305I74.1Confident61.3Low35 Ų3575.3 Ų75.318%0.17940%0.395CS..Hα-helixtrans-58.1-40.3172.1-62.9163.1000111.1L262 S301L262-I305 HydrophobicContact CB-CD1 4.33Å; L262-I305 HydrophobicContact CB-CG2 3.92Å; L262-I305 WeakPolarHBondContact O-CG2 3.48Å; S301-I305 WeakPolarHBondContact O-CD1 3.35Å; S301-I305 VanDerWaalsContact O-CG1 3.28Å; S301-I305 WeakPolarHBondContact O-CG1 3.48Å; S301-I305 PolarHBondContact O-N 3.4Å
306F67.8Low59.8Low4 Ų484.2 Ų84.22%0.01844%0.435CS..Hα-helixtrans-69.8-37.6-178-168-81.5000113.8L267 F272 P275 V278 A279 L282 C302 M303 D304L267-F306 HydrophobicContact CD1-CB 3.95Å; L267-F306 HydrophobicContact CD1-CD2 3.3Å; L267-F306 HydrophobicContact CD1-CE2 3.83Å; L267-F306 HydrophobicContact CD1-CG 3.74Å; L267-F306 HydrophobicContact CD2-CD2 3.89Å; L267-F306 HydrophobicContact CD2-CE2 3.85Å; L267-F306 HydrophobicContact CG-CD2 4.21Å; L267-F306 HydrophobicContact CG-CE2 4.37Å; F272-F306 AromaticContact CE1-CE2 3.98Å; F272-F306 HydrophobicContact CE1-CE2 3.98Å; F272-F306 HydrophobicContact CZ-CE2 4.34Å; P275-F306 HydrophobicContact CB-CZ 3.83Å; P275-F306 VanDerWaalsContact O-CZ 3.23Å; P275-F306 WeakPolarHBondContact O-CZ 3.4Å; V278-F306 HydrophobicContact CB-CE2 3.9Å; V278-F306 HydrophobicContact CB-CZ 4.27Å; V278-F306 HydrophobicContact CG1-CD2 3.85Å; V278-F306 HydrophobicContact CG1-CE2 3.47Å; V278-F306 VanDerWaalsContact CG1-CE2 3.47Å; V278-F306 HydrophobicContact CG1-CZ 4.24Å; A279-F306 HydrophobicContact CB-CD1 4.16Å; A279-F306 HydrophobicContact CB-CE1 3.58Å; A279-F306 HydrophobicContact CB-CZ 4.13Å; L282-F306 HydrophobicContact CD1-CB 3.88Å; L282-F306 HydrophobicContact CD1-CD2 3.91Å; L282-F306 HydrophobicContact CD1-CG 3.89Å; C302-F306 VanDerWaalsContact O-CB 3.29Å; C302-F306 WeakPolarHBondContact O-CB 3.35Å; C302-F306 PolarHBondContact O-N 2.9Å; C302-F306 VanDerWaalsContact O-N 3.08Å; M303-F306 PolarHBondContact O-N 3.43Å; M303-F306 VanDerWaalsContact O-N 3.13Å; D304-F306 VanDerWaalsContact C-N 3.26Å; D304-F306 PolarHBondContact O-N 2.89Å
307L67.7Low58.2Low77 Ų7785.5 Ų85.540%0.40345%0.452SS..Hα-helixtrans-88.2-27.3-174.8-67.2172.5000113.3M303 D304 D309 D310M303-L307 WeakPolarHBondContact O-CB 3.09Å; M303-L307 VanDerWaalsContact O-CG 3.28Å; M303-L307 WeakPolarHBondContact O-CG 3.22Å; M303-L307 PolarHBondContact O-N 3.41Å; D304-L307 PolarHBondContact O-N 3.49Å; L307-D309 VanDerWaalsContact C-N 3.25Å; L307-D309 PolarHBondContact O-N 2.78Å; L307-D310 PolarHBondContact O-N 3.34Å
308E64.2Low56.1Low143 Ų14383 Ų8367%0.66845%0.453SS*.Hα-helixtrans-60.8-36.5174.9-78.6-179.2-178.800111.6D304D304-E308 WeakPolarHBondContact O-CB 3.48Å; D304-E308 WeakPolarHBondContact O-CG 3.17Å; D304-E308 PolarHBondContact O-N 2.99Å
309D55.4Low54Low51 Ų5193.1 Ų93.127%0.27349%0.488SS..Hα-helixtrans-73.6-30.8178.6-88.5-1.9000113.7L267 L307 V311 H312L267-D309 HydrophobicContact CB-CB 4.27Å; L267-D309 HydrophobicContact CD1-CB 4.39Å; L267-D309 PolarHBondContact N-OD2 3.27Å; L267-D309 VanDerWaalsContact N-OD2 3.13Å; L307-D309 VanDerWaalsContact C-N 3.25Å; L307-D309 PolarHBondContact O-N 2.78Å; D309-V311 VanDerWaalsContact C-N 3.28Å; D309-V311 PolarHBondContact O-N 3.19Å; D309-H312 PolarHBondContact O-N 3.04Å
310D49.2Very low52Low95 Ų95101.9 Ų101.951%0.50853%0.529SS..Hα-helixtrans-70.9-21.5-179.8-104.4-11.4000112.6L307 H312L307-D310 PolarHBondContact O-N 3.34Å; D310-H312 PolarHBondContact O-N 3.09Å
311V44.9Very low50.4Low117 Ų117107.7 Ų107.771%0.70956%0.563SS**THydrogen-bonded Turntrans-76.4-10179.5-178.30000112.2D309D309-V311 VanDerWaalsContact C-N 3.28Å; D309-V311 PolarHBondContact O-N 3.19Å
312H37.8Very low49Very low150 Ų150111.1 Ų111.169%0.69458%0.577SS**THydrogen-bonded Turntrans-111.439175.9-67.6-16.5000112.7D309 D310D309-H312 PolarHBondContact O-N 3.04Å; D310-H312 PolarHBondContact O-N 3.09Å
313G32Very low47.6Very low41 Ų41116.9 Ų116.942%0.42361%0.607SS.*  trans-51.8145.6166.300000111.8E315G313-E315 PolarHBondContact O-N 2.83Å; G313-E315 VanDerWaalsContact O-N 3.1Å
314P34.5Very low46.3Very low121 Ų121121.2 Ų121.279%0.78663%0.63SS**  trans-61.3118.7-16724.4-31.9000110.2E316P314-E316 PolarHBondContact O-N 3.44Å
315E34.4Very low44.4Very low178 Ų178124.2 Ų124.283%0.83265%0.645SS**  trans-45.3124.5168.9-72-177.6153.600108.7G313 N317G313-E315 PolarHBondContact O-N 2.83Å; G313-E315 VanDerWaalsContact O-N 3.1Å; E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.14Å
316E34.9Very low42.5Very low197 Ų197129.8 Ų129.892%0.92167%0.674SS**  trans-53.991.5-179.1-68.7177.6143.900110P314 G318P314-E316 PolarHBondContact O-N 3.44Å; E316-G318 PolarHBondContact O-N 3.11Å
317N31.8Very low40.8Very low159 Ų159138.1 Ų138.185%0.8572%0.718SS**  trans-68.699.6170.5-83.8-37.5000108.8E315E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.14Å
318G27.8Very low38.9Very low62 Ų62142.5 Ų142.564%0.63974%0.741SS**  trans6384.7138.500000116.2E316E316-G318 PolarHBondContact O-N 3.11Å
319W29.8Very low37Very low255 Ų255142.5 Ų142.597%0.96675%0.746SS**  trans-88.697.7143.7-72.682.5000107.5
320E28.4Very low35.4Very low188 Ų188150.1 Ų150.188%0.87979%0.786SS**  trans-53.5136.1162.5-69.9177.8148.600109.6
321I39.5Very low34.2Very low238 Ų238155.1 Ų155.1100%1.22181%0.811SS**  trans-88.60162.6-62.4176.3000107.9

Retrieved 321 of 321 residues in 148.4 ms (Link to these results)

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