A0A087XB58_POEFO Loading...

LHFPL tetraspan subfamily member 4

AlphaFold DB , UniProt , Accession A0A087XB58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M56.7Low66.1Low243 Ų243116.2 Ų116.2100%1.19760%0.596SS**  0113.20-71171.2178.400106.1
2L54.4Low66.4Low113 Ų113113.7 Ų113.759%0.59258%0.579SS**  trans-64.4144.1175.1-85.799.7000109.1S4 E6 I10L2-S4 PolarHBondContact O-N 2.95Å; L2-E6 HydrophobicContact CD2-CB 4.17Å; L2-I10 HydrophobicContact CD2-CD1 4.33Å
3P68.8Low66.7Low72 Ų72112.7 Ų112.747%0.46858%0.576SS.*  trans-50.8136168.4-1929.1000109.7Q5 E6 A7P3-Q5 PolarHBondContact O-N 3.06Å; P3-E6 HydrophobicContact CB-CG 4.42Å; P3-E6 WeakPolarHBondContact CD-OE2 3.09Å; P3-E6 HydrophobicContact CG-CG 4.35Å; P3-E6 PolarHBondContact O-N 3.44Å; P3-A7 PolarHBondContact O-N 3.27Å
4S68.4Low67.1Low102 Ų102111.6 Ų111.671%0.71357%0.572SS**Hα-helixtrans-53.9-31.4-177.153.90000113.3L2 S8L2-S4 PolarHBondContact O-N 2.95Å; S4-S8 WeakPolarHBondContact O-CB 3.47Å; S4-S8 PolarHBondContact O-N 3.04Å; S4-S8 VanDerWaalsContact O-N 3.09Å
5Q66.1Low67.3Low143 Ų143110.5 Ų110.567%0.66856%0.559SS**Hα-helixtrans-64.9-43.8175.7-69.5-94.1-40.400112.7P3 S8 K9P3-Q5 PolarHBondContact O-N 3.06Å; Q5-S8 PolarHBondContact O-N 3.05Å; Q5-S8 PolarHBondContact O-OG 3.41Å; Q5-K9 PolarHBondContact O-N 2.99Å
6E67.9Low67.3Low107 Ų107107.5 Ų107.550%0.554%0.543SS..Hα-helixtrans-72.8-37.7-179.6-68.3-176.9166.800111.9L2 P3 K9 I10L2-E6 HydrophobicContact CD2-CB 4.17Å; P3-E6 HydrophobicContact CB-CG 4.42Å; P3-E6 WeakPolarHBondContact CD-OE2 3.09Å; P3-E6 HydrophobicContact CG-CG 4.35Å; P3-E6 PolarHBondContact O-N 3.44Å; E6-K9 PolarHBondContact O-N 3.45Å; E6-I10 WeakPolarHBondContact O-CG1 3.49Å; E6-I10 PolarHBondContact O-N 2.85Å
7A67.1Low67.6Low28 Ų28112.2 Ų112.223%0.23155%0.553CS.*Hα-helixtrans-60.2-46.4172.400000110.8P3 K9 I10 Y11P3-A7 PolarHBondContact O-N 3.27Å; A7-K9 PolarHBondContact O-N 2.94Å; A7-I10 PolarHBondContact O-N 3.47Å; A7-Y11 HydrophobicContact CB-CD2 4.45Å; A7-Y11 HydrophobicContact CB-CE2 4.29Å; A7-Y11 WeakPolarHBondContact O-CD2 3.24Å; A7-Y11 PolarHBondContact O-N 2.98Å
8S67.7Low68.3Low54 Ų54111.4 Ų111.438%0.37855%0.551SS.*Hα-helixtrans-60.3-40.5179.873.50000113.4S4 Q5 Y11 H12S4-S8 WeakPolarHBondContact O-CB 3.47Å; S4-S8 PolarHBondContact O-N 3.04Å; S4-S8 VanDerWaalsContact O-N 3.09Å; Q5-S8 PolarHBondContact O-N 3.05Å; Q5-S8 PolarHBondContact O-OG 3.41Å; S8-Y11 PolarHBondContact O-N 3.38Å; S8-H12 WeakPolarHBondContact O-CB 3.48Å; S8-H12 PolarHBondContact O-CD2 2.99Å; S8-H12 PolarHBondContact O-N 3.02Å
9K70.9Confident68.8Low149 Ų149106.9 Ų106.965%0.64853%0.532SS*.Hα-helixtrans-63.8-44.6175.6-80.2-173.5175.4-178.40112.4Q5 E6 A7 Y11 H12 D13Q5-K9 PolarHBondContact O-N 2.99Å; E6-K9 PolarHBondContact O-N 3.45Å; A7-K9 PolarHBondContact O-N 2.94Å; K9-Y11 VanDerWaalsContact C-N 3.35Å; K9-Y11 PolarHBondContact O-N 2.87Å; K9-H12 PolarHBondContact O-N 2.89Å; K9-D13 PolarHBondContact O-N 3.23Å
10I72.1Confident69.5Low91 Ų91111 Ų11147%0.46754%0.541SS..Hα-helixtrans-64.3-40.3178.2-65.3167000111.2L2 E6 A7 N14L2-I10 HydrophobicContact CD2-CD1 4.33Å; E6-I10 WeakPolarHBondContact O-CG1 3.49Å; E6-I10 PolarHBondContact O-N 2.85Å; A7-I10 PolarHBondContact O-N 3.47Å; I10-N14 WeakPolarHBondContact O-CB 3.38Å; I10-N14 PolarHBondContact O-N 3.28Å; I10-N14 VanDerWaalsContact O-N 3.17Å; I10-N14 PolarHBondContact O-ND2 3.4Å
11Y67.5Low70.4Confident176 Ų176108 Ų10869%0.6953%0.533SS*.Hα-helixtrans-63.6-43173.5-76.9-68.6000111.5A7 S8 K9 Y15A7-Y11 HydrophobicContact CB-CD2 4.45Å; A7-Y11 HydrophobicContact CB-CE2 4.29Å; A7-Y11 WeakPolarHBondContact O-CD2 3.24Å; A7-Y11 PolarHBondContact O-N 2.98Å; S8-Y11 PolarHBondContact O-N 3.38Å; K9-Y11 VanDerWaalsContact C-N 3.35Å; K9-Y11 PolarHBondContact O-N 2.87Å; Y11-Y15 WeakPolarHBondContact O-CB 3.49Å; Y11-Y15 PolarHBondContact O-N 2.84Å
12H68.8Low71.9Confident86 Ų8699.2 Ų99.240%0.39849%0.491SS..Hα-helixtrans-61.4-45.1176.8-97.7-85.8000112.9S8 K9 Y15 M16 F205S8-H12 WeakPolarHBondContact O-CB 3.48Å; S8-H12 PolarHBondContact O-CD2 2.99Å; S8-H12 PolarHBondContact O-N 3.02Å; K9-H12 PolarHBondContact O-N 2.89Å; H12-Y15 WeakPolarHBondContact O-CB 3.47Å; H12-Y15 PolarHBondContact O-N 2.97Å; H12-M16 HydrophobicContact CB-CE 4.02Å; H12-M16 WeakPolarHBondContact O-CB 3.42Å; H12-M16 WeakPolarHBondContact O-CG 3.31Å; H12-M16 PolarHBondContact O-N 2.78Å; H12-F205 AromaticContact ND1-CE1 3.94Å
13D71.2Confident73.5Confident101 Ų10194.2 Ų94.254%0.5447%0.467SS..Hα-helixtrans-66.7-43.8-179.3-78.1-18.3000112.5K9 Y15 M16 R17K9-D13 PolarHBondContact O-N 3.23Å; D13-Y15 VanDerWaalsContact C-N 3.28Å; D13-Y15 PolarHBondContact O-N 3.05Å; D13-M16 PolarHBondContact O-N 2.89Å; D13-R17 PolarHBondContact O-N 2.9Å; D13-R17 VanDerWaalsContact O-N 3.09Å
14N72.1Confident74.5Confident97 Ų9795 Ų9552%0.51947%0.47SS..Hα-helixtrans-63.5-38.2174.5-79.2-29.4000111.5I10 R17 N18I10-N14 WeakPolarHBondContact O-CB 3.38Å; I10-N14 PolarHBondContact O-N 3.28Å; I10-N14 VanDerWaalsContact O-N 3.17Å; I10-N14 PolarHBondContact O-ND2 3.4Å; N14-R17 PolarHBondContact O-N 2.97Å; N14-N18 PolarHBondContact O-N 3.15Å; N14-N18 VanDerWaalsContact O-N 3.09Å
15Y69.8Low75.5Confident95 Ų9594.5 Ų94.537%0.37346%0.459SS..Hα-helixtrans-66.7-40.6177.1-174.9-98.3000112.7Y11 H12 D13 N18 S19 R201 F205Y11-Y15 WeakPolarHBondContact O-CB 3.49Å; Y11-Y15 PolarHBondContact O-N 2.84Å; H12-Y15 WeakPolarHBondContact O-CB 3.47Å; H12-Y15 PolarHBondContact O-N 2.97Å; D13-Y15 VanDerWaalsContact C-N 3.28Å; D13-Y15 PolarHBondContact O-N 3.05Å; Y15-N18 PolarHBondContact O-N 3.47Å; Y15-S19 PolarHBondContact O-N 3.45Å; Y15-R201 VanDerWaalsContact OH-CZ 3.24Å; Y15-R201 PolarHBondContact OH-NE 3.24Å; Y15-R201 PolarHBondContact OH-NH2 3.44Å; Y15-R201 VanDerWaalsContact OH-NH2 3.12Å; Y15-F205 AromaticContact CD1-CZ 3.85Å; Y15-F205 HydrophobicContact CD1-CZ 3.85Å; Y15-F205 HydrophobicContact CE1-CE2 4.32Å; Y15-F205 AromaticContact CE1-CZ 3.78Å; Y15-F205 HydrophobicContact CE1-CZ 3.78Å
16M67.3Low76.8Confident63 Ų6387.8 Ų87.831%0.3143%0.428SS..Hα-helixtrans-66.3-36.4175.4-76.2-172.7-106.800113H12 D13 N18 S19 R20 F205H12-M16 HydrophobicContact CB-CE 4.02Å; H12-M16 WeakPolarHBondContact O-CB 3.42Å; H12-M16 WeakPolarHBondContact O-CG 3.31Å; H12-M16 PolarHBondContact O-N 2.78Å; D13-M16 PolarHBondContact O-N 2.89Å; M16-N18 VanDerWaalsContact C-N 3.35Å; M16-S19 PolarHBondContact O-OG 2.88Å; M16-R20 WeakPolarHBondContact O-CG 3.33Å; M16-R20 PolarHBondContact O-N 3.5Å; M16-F205 HydrophobicContact CG-CE1 4.36Å; M16-F205 HydrophobicContact CG-CZ 4.17Å
17R73.2Confident78Confident187 Ų18784 Ų8471%0.70641%0.414SS*.Hα-helixtrans-65.3-40.1171.5-84.3175.666.1-173.40.4111.8D13 N14 A21D13-R17 PolarHBondContact O-N 2.9Å; D13-R17 VanDerWaalsContact O-N 3.09Å; N14-R17 PolarHBondContact O-N 2.97Å; R17-A21 PolarHBondContact O-N 2.84Å
18N79.6Confident79.2Confident99 Ų9986.8 Ų86.853%0.52942%0.424SS..Hα-helixtrans-68.7-37.8179.1-157.635.7000112N14 Y15 M16 A21 I22N14-N18 PolarHBondContact O-N 3.15Å; N14-N18 VanDerWaalsContact O-N 3.09Å; Y15-N18 PolarHBondContact O-N 3.47Å; M16-N18 VanDerWaalsContact C-N 3.35Å; N18-A21 PolarHBondContact O-N 2.92Å; N18-I22 VanDerWaalsContact O-CG1 3.28Å; N18-I22 WeakPolarHBondContact O-CG1 3.48Å; N18-I22 PolarHBondContact O-N 2.85Å
19S78.1Confident80.4Confident25 Ų2588.9 Ų88.918%0.17543%0.427CS..Hα-helixtrans-65.9-38.7176.768.60000112.8Y15 M16 I22 G23Y15-S19 PolarHBondContact O-N 3.45Å; M16-S19 PolarHBondContact O-OG 2.88Å; S19-I22 PolarHBondContact O-N 3.41Å; S19-G23 PolarHBondContact O-N 2.95Å
20R82.5Confident81.6Confident189 Ų18981.8 Ų81.871%0.71340%0.396SS*.Hα-helixtrans-62.9-40.9173.5-70.4176.8-175.1-1743112M16 I22 G23 V24M16-R20 WeakPolarHBondContact O-CG 3.33Å; M16-R20 PolarHBondContact O-N 3.5Å; R20-I22 VanDerWaalsContact C-N 3.34Å; R20-I22 PolarHBondContact O-N 3.46Å; R20-G23 PolarHBondContact O-N 3.32Å; R20-V24 WeakPolarHBondContact O-CG2 3.36Å; R20-V24 PolarHBondContact O-N 3.19Å
21A87.8Confident82.7Confident47 Ų4781.3 Ų81.339%0.38839%0.394SS..Hα-helixtrans-62.2-41.8175.400000111.9R17 N18 G23 V24 L25R17-A21 PolarHBondContact O-N 2.84Å; N18-A21 PolarHBondContact O-N 2.92Å; A21-G23 VanDerWaalsContact C-N 3.32Å; A21-G23 PolarHBondContact O-N 3.36Å; A21-V24 PolarHBondContact O-N 3.09Å; A21-L25 WeakPolarHBondContact O-CG 3.41Å; A21-L25 PolarHBondContact O-N 2.96Å
22I88.1Confident84Confident59 Ų5976 Ų7630%0.30338%0.382SS..Hα-helixtrans-62.9-39.6175-63.3163.1000110.9N18 S19 R20 L25 W26 L194 L198N18-I22 VanDerWaalsContact O-CG1 3.28Å; N18-I22 WeakPolarHBondContact O-CG1 3.48Å; N18-I22 PolarHBondContact O-N 2.85Å; S19-I22 PolarHBondContact O-N 3.41Å; R20-I22 VanDerWaalsContact C-N 3.34Å; R20-I22 PolarHBondContact O-N 3.46Å; I22-L25 PolarHBondContact O-N 2.95Å; I22-W26 WeakPolarHBondContact O-CB 3.37Å; I22-W26 PolarHBondContact O-N 3.15Å; I22-L194 HydrophobicContact CG2-CD2 4.45Å; I22-L198 HydrophobicContact CB-CD2 4.25Å; I22-L198 HydrophobicContact CG2-CD1 4.27Å; I22-L198 HydrophobicContact CG2-CD2 3.92Å; I22-L198 HydrophobicContact CG2-CG 4.31Å
23G88.7Confident85.3Confident8 Ų872.1 Ų72.18%0.08236%0.364CS..Hα-helixtrans-61.6-42.4174.700000113.5S19 R20 A21 W26 A27S19-G23 PolarHBondContact O-N 2.95Å; R20-G23 PolarHBondContact O-N 3.32Å; A21-G23 VanDerWaalsContact C-N 3.32Å; A21-G23 PolarHBondContact O-N 3.36Å; G23-W26 PolarHBondContact O-N 3.12Å; G23-A27 PolarHBondContact O-N 3.34Å
24V89.2Confident86.5Confident90 Ų9067.5 Ų67.555%0.54534%0.339SS..Hα-helixtrans-65.4-44.7175.4174.90000111.3R20 A21 W26 A27 I28R20-V24 WeakPolarHBondContact O-CG2 3.36Å; R20-V24 PolarHBondContact O-N 3.19Å; A21-V24 PolarHBondContact O-N 3.09Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 2.99Å; V24-A27 PolarHBondContact O-N 3.33Å; V24-I28 HydrophobicContact CG1-CD1 3.93Å; V24-I28 HydrophobicContact CG1-CG1 4.5Å; V24-I28 WeakPolarHBondContact O-CG1 3.38Å; V24-I28 PolarHBondContact O-N 3.49Å
25L90.5Very high87.6Confident91 Ų9167.9 Ų67.948%0.47634%0.34SS..Hα-helixtrans-58.8-44.3175.6-77.1167.5000111.6A21 I22 A27 I28 F29A21-L25 WeakPolarHBondContact O-CG 3.41Å; A21-L25 PolarHBondContact O-N 2.96Å; I22-L25 PolarHBondContact O-N 2.95Å; L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3.02Å; L25-I28 PolarHBondContact O-N 2.98Å; L25-F29 WeakPolarHBondContact O-CD2 3.32Å; L25-F29 PolarHBondContact O-N 2.8Å
26W93.1Very high88.8Confident2 Ų265.5 Ų65.51%0.00834%0.336CS..Hα-helixtrans-60-42.8176172.781.3000112.3I22 G23 V24 F29 T30 M114 Y126 C129 Q133 L191 A195 L198I22-W26 WeakPolarHBondContact O-CB 3.37Å; I22-W26 PolarHBondContact O-N 3.15Å; G23-W26 PolarHBondContact O-N 3.12Å; V24-W26 VanDerWaalsContact C-N 3.31Å; V24-W26 PolarHBondContact O-N 2.99Å; W26-F29 PolarHBondContact O-N 2.95Å; W26-T30 WeakPolarHBondContact O-CB 3.28Å; W26-T30 PolarHBondContact O-N 3.01Å; W26-T30 PolarHBondContact O-OG1 3.18Å; W26-M114 HydrophobicContact CD2-CE 4.5Å; W26-M114 HydrophobicContact CE3-CE 3.91Å; W26-M114 HydrophobicContact CE3-SD 4.3Å; W26-M114 HydrophobicContact CH2-CE 3.24Å; W26-M114 HydrophobicContact CH2-CG 4.34Å; W26-M114 HydrophobicContact CH2-SD 4.12Å; W26-M114 HydrophobicContact CZ2-CE 3.88Å; W26-M114 HydrophobicContact CZ3-CE 3.24Å; W26-M114 HydrophobicContact CZ3-CG 4.16Å; W26-M114 HydrophobicContact CZ3-SD 3.61Å; W26-Y126 HydrophobicContact CE3-CD1 4.35Å; W26-Y126 AromaticContact CE3-CE1 3.86Å; W26-Y126 HydrophobicContact CE3-CE1 3.86Å; W26-Y126 HydrophobicContact CH2-CD1 4.07Å; W26-Y126 HydrophobicContact CH2-CE1 4.26Å; W26-Y126 AromaticContact CZ3-CD1 3.93Å; W26-Y126 HydrophobicContact CZ3-CD1 3.93Å; W26-Y126 AromaticContact CZ3-CE1 3.64Å; W26-Y126 HydrophobicContact CZ3-CE1 3.64Å; W26-C129 HydrophobicContact CH2-CB 3.72Å; W26-C129 HydrophobicContact CZ2-CB 3.84Å; W26-Q133 VanDerWaalsContact CZ2-NE2 3.25Å; W26-Q133 VanDerWaalsContact NE1-OE1 3.12Å; W26-L191 HydrophobicContact CG-CD2 4.39Å; W26-L191 PolarHBondContact NE1-O 3.35Å; W26-A195 HydrophobicContact CZ2-CB 3.76Å; W26-L198 HydrophobicContact CB-CD1 4.12Å; W26-L198 HydrophobicContact CG-CD1 4.29Å
27A92.1Very high90.2Very high26 Ų2662.7 Ų62.722%0.21532%0.322CS..Hα-helixtrans-63.5-43.7176.700000111.9G23 V24 L25 T30 I31 M114G23-A27 PolarHBondContact O-N 3.34Å; V24-A27 PolarHBondContact O-N 3.33Å; L25-A27 VanDerWaalsContact C-N 3.35Å; L25-A27 PolarHBondContact O-N 3.02Å; A27-T30 PolarHBondContact O-N 3.17Å; A27-I31 WeakPolarHBondContact O-CG1 3.48Å; A27-I31 PolarHBondContact O-N 3.28Å; A27-M114 HydrophobicContact CB-SD 3.95Å
28I93Very high91.3Very high88 Ų8855.7 Ų55.745%0.45130%0.3SS..Hα-helixtrans-60.7-50.4177.1-66.6166.3000110.6V24 L25 T30 I31 C32V24-I28 HydrophobicContact CG1-CD1 3.93Å; V24-I28 HydrophobicContact CG1-CG1 4.5Å; V24-I28 WeakPolarHBondContact O-CG1 3.38Å; V24-I28 PolarHBondContact O-N 3.49Å; L25-I28 PolarHBondContact O-N 2.98Å; I28-T30 VanDerWaalsContact C-N 3.27Å; I28-T30 PolarHBondContact O-N 3.39Å; I28-I31 PolarHBondContact O-N 2.84Å; I28-I31 VanDerWaalsContact O-N 3.17Å; I28-C32 PolarHBondContact O-N 3.43Å; I28-C32 PolarHBondContact O-SG 3.14Å; I28-C32 VanDerWaalsContact O-SG 3.36Å
29F94Very high92Very high98 Ų9853.3 Ų53.343%0.4329%0.289SS..Hα-helixtrans-61.5-37.4177.8-74.9-55.2000111.9L25 W26 I31 C32 F33 L191L25-F29 WeakPolarHBondContact O-CD2 3.32Å; L25-F29 PolarHBondContact O-N 2.8Å; W26-F29 PolarHBondContact O-N 2.95Å; F29-I31 VanDerWaalsContact C-N 3.34Å; F29-I31 PolarHBondContact O-N 3.39Å; F29-C32 PolarHBondContact O-N 3.11Å; F29-F33 VanDerWaalsContact O-CB 3.31Å; F29-F33 WeakPolarHBondContact O-CB 3.48Å; F29-F33 PolarHBondContact O-N 3.13Å; F29-L191 HydrophobicContact CB-CD2 3.58Å; F29-L191 HydrophobicContact CB-CG 4.47Å
30T94.6Very high92.9Very high0 Ų052.2 Ų52.20%028%0.281CS..Hα-helixtrans-62.3-40.6175.4-57.10000112.4W26 A27 I28 F33 A34 I107 I111 M114 Q133W26-T30 WeakPolarHBondContact O-CB 3.28Å; W26-T30 PolarHBondContact O-N 3.01Å; W26-T30 PolarHBondContact O-OG1 3.18Å; A27-T30 PolarHBondContact O-N 3.17Å; I28-T30 VanDerWaalsContact C-N 3.27Å; I28-T30 PolarHBondContact O-N 3.39Å; T30-F33 PolarHBondContact O-N 2.95Å; T30-A34 PolarHBondContact O-N 3.28Å; T30-I107 HydrophobicContact CG2-CD1 3.8Å; T30-I107 HydrophobicContact CG2-CG1 4.44Å; T30-I111 HydrophobicContact CG2-CG1 4.24Å; T30-M114 HydrophobicContact CG2-CE 3.34Å; T30-Q133 PolarHBondContact OG1-NE2 3.42Å
31I94.7Very high93.5Very high81 Ų8144.2 Ų44.242%0.41525%0.251SS..Hα-helixtrans-66.3-46.5176.2-67164.3000110.5A27 I28 F29 F33 A34 I35 I111A27-I31 WeakPolarHBondContact O-CG1 3.48Å; A27-I31 PolarHBondContact O-N 3.28Å; I28-I31 PolarHBondContact O-N 2.84Å; I28-I31 VanDerWaalsContact O-N 3.17Å; F29-I31 VanDerWaalsContact C-N 3.34Å; F29-I31 PolarHBondContact O-N 3.39Å; I31-F33 VanDerWaalsContact C-N 3.29Å; I31-F33 PolarHBondContact O-N 3.07Å; I31-A34 PolarHBondContact O-N 3.34Å; I31-I35 HydrophobicContact CG2-CD1 4.24Å; I31-I35 WeakPolarHBondContact O-CG1 3.41Å; I31-I35 PolarHBondContact O-N 3.41Å; I31-I35 VanDerWaalsContact O-N 3.07Å; I31-I111 HydrophobicContact CG1-CD1 4.38Å
32C95.3Very high93.7Very high65 Ų6546.8 Ų46.844%0.43926%0.258SS..Hα-helixtrans-57.3-45.3175.8-68.80000111.4I28 F29 A34 I35 V36I28-C32 PolarHBondContact O-N 3.43Å; I28-C32 PolarHBondContact O-SG 3.14Å; I28-C32 VanDerWaalsContact O-SG 3.36Å; F29-C32 PolarHBondContact O-N 3.11Å; C32-A34 PolarHBondContact O-N 3.09Å; C32-I35 PolarHBondContact O-N 3.03Å; C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.28Å
33F95.9Very high94Very high4 Ų446.5 Ų46.52%0.01826%0.255CS..Hα-helixtrans-62.1-42.2177.5179.6-130.3000112.4F29 T30 I31 I35 V36 N37 I107 C136 L140 G184 D187 A188 L191F29-F33 VanDerWaalsContact O-CB 3.31Å; F29-F33 WeakPolarHBondContact O-CB 3.48Å; F29-F33 PolarHBondContact O-N 3.13Å; T30-F33 PolarHBondContact O-N 2.95Å; I31-F33 VanDerWaalsContact C-N 3.29Å; I31-F33 PolarHBondContact O-N 3.07Å; F33-I35 VanDerWaalsContact C-N 3.32Å; F33-I35 PolarHBondContact O-N 3.19Å; F33-V36 PolarHBondContact O-N 3.19Å; F33-N37 WeakPolarHBondContact CZ-ND2 3.02Å; F33-N37 WeakPolarHBondContact O-CB 3.42Å; F33-N37 PolarHBondContact O-N 3.11Å; F33-I107 HydrophobicContact CD1-CD1 3.56Å; F33-I107 HydrophobicContact CD1-CG1 3.61Å; F33-I107 HydrophobicContact CE1-CB 4.41Å; F33-I107 HydrophobicContact CE1-CD1 3.81Å; F33-I107 HydrophobicContact CE1-CG1 3.91Å; F33-C136 VanDerWaalsContact CE1-SG 3.56Å; F33-L140 HydrophobicContact CE2-CD1 3.91Å; F33-L140 HydrophobicContact CZ-CD1 3.59Å; F33-G184 WeakPolarHBondContact CE2-O 3.46Å; F33-D187 VanDerWaalsContact CB-OD2 3.27Å; F33-D187 WeakPolarHBondContact CB-OD2 3.35Å; F33-D187 HydrophobicContact CD2-CB 4.4Å; F33-A188 HydrophobicContact CE1-CB 3.9Å; F33-A188 HydrophobicContact CE2-CB 4.42Å; F33-A188 HydrophobicContact CZ-CB 3.7Å; F33-L191 HydrophobicContact CB-CD1 3.84Å; F33-L191 HydrophobicContact CD1-CD1 3.84Å; F33-L191 HydrophobicContact CG-CD1 4.06Å
34A96.4Very high94.1Very high4 Ų447 Ų473%0.03326%0.257CS..Hα-helixtrans-60.3-43175.900000112T30 I31 C32 V36 N37 V38 I107 L108 I111T30-A34 PolarHBondContact O-N 3.28Å; I31-A34 PolarHBondContact O-N 3.34Å; C32-A34 PolarHBondContact O-N 3.09Å; A34-V36 VanDerWaalsContact C-N 3.35Å; A34-V36 PolarHBondContact O-N 3.29Å; A34-N37 WeakPolarHBondContact O-CB 3.17Å; A34-N37 PolarHBondContact O-N 2.93Å; A34-V38 VanDerWaalsContact O-CG2 3.27Å; A34-V38 WeakPolarHBondContact O-CG2 3.43Å; A34-V38 PolarHBondContact O-N 3.45Å; A34-I107 HydrophobicContact CB-CG1 3.98Å; A34-I107 HydrophobicContact CB-CG2 4.01Å; A34-L108 HydrophobicContact CB-CD2 4.41Å; A34-I111 HydrophobicContact CB-CD1 3.29Å; A34-I111 HydrophobicContact CB-CG1 4.48Å
35I95.8Very high94.3Very high104 Ų10446.2 Ų46.253%0.53325%0.245SC..Hα-helixtrans-59.5-47.6175.4-64.5165.5000110.1I31 C32 F33 N37 V38 V39I31-I35 HydrophobicContact CG2-CD1 4.24Å; I31-I35 WeakPolarHBondContact O-CG1 3.41Å; I31-I35 PolarHBondContact O-N 3.41Å; I31-I35 VanDerWaalsContact O-N 3.07Å; C32-I35 PolarHBondContact O-N 3.03Å; F33-I35 VanDerWaalsContact C-N 3.32Å; F33-I35 PolarHBondContact O-N 3.19Å; I35-N37 VanDerWaalsContact C-N 3.31Å; I35-N37 PolarHBondContact O-N 3.47Å; I35-V38 PolarHBondContact O-N 3.21Å; I35-V39 HydrophobicContact CG2-CG2 4.49Å; I35-V39 WeakPolarHBondContact O-CG2 3.37Å; I35-V39 PolarHBondContact O-N 3.42Å
36V95.4Very high94.5Very high46 Ų4641.9 Ų41.928%0.27922%0.222SC..Hα-helixtrans-58.5-43.9176.2172.50000110.9C32 F33 A34 V38 V39 V40 L180C32-V36 WeakPolarHBondContact O-CG2 3.46Å; C32-V36 PolarHBondContact O-N 3.28Å; F33-V36 PolarHBondContact O-N 3.19Å; A34-V36 VanDerWaalsContact C-N 3.35Å; A34-V36 PolarHBondContact O-N 3.29Å; V36-V38 PolarHBondContact O-N 2.72Å; V36-V39 PolarHBondContact O-N 3.05Å; V36-V40 HydrophobicContact CG1-CG2 4.12Å; V36-V40 WeakPolarHBondContact O-CB 3.34Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 3.05Å; V36-L180 HydrophobicContact CG1-CB 4.11Å
37N95.8Very high94.5Very high3 Ų341.9 Ų41.92%0.01622%0.222CC..Hα-helixtrans-61.7-43.1179.1-136.4-70.1000112F33 A34 I35 V40 F41 S103 M104 I107F33-N37 WeakPolarHBondContact CZ-ND2 3.02Å; F33-N37 WeakPolarHBondContact O-CB 3.42Å; F33-N37 PolarHBondContact O-N 3.11Å; A34-N37 WeakPolarHBondContact O-CB 3.17Å; A34-N37 PolarHBondContact O-N 2.93Å; I35-N37 VanDerWaalsContact C-N 3.31Å; I35-N37 PolarHBondContact O-N 3.47Å; N37-V40 PolarHBondContact O-N 3.21Å; N37-F41 WeakPolarHBondContact O-CB 3.49Å; N37-F41 PolarHBondContact O-N 3.4Å; N37-S103 VanDerWaalsContact CG-OG 3.27Å; N37-S103 PolarHBondContact ND2-OG 3.45Å; N37-S103 PolarHBondContact OD1-OG 2.88Å; N37-M104 WeakPolarHBondContact OD1-CA 3.37Å; N37-M104 PolarHBondContact OD1-N 3.44Å; N37-I107 HydrophobicContact CB-CG2 3.99Å
38V96.3Very high94.5Very high40 Ų4040.7 Ų40.724%0.24221%0.212CC..Hα-helixtrans-61.8-46.4174.8175.70000110.9A34 I35 V36 F41 I42 M104A34-V38 VanDerWaalsContact O-CG2 3.27Å; A34-V38 WeakPolarHBondContact O-CG2 3.43Å; A34-V38 PolarHBondContact O-N 3.45Å; I35-V38 PolarHBondContact O-N 3.21Å; V36-V38 PolarHBondContact O-N 2.72Å; V38-F41 PolarHBondContact O-N 2.97Å; V38-I42 HydrophobicContact CG1-CD1 3.58Å; V38-I42 HydrophobicContact CG1-CG1 4.35Å; V38-I42 WeakPolarHBondContact O-CG1 3.36Å; V38-I42 PolarHBondContact O-N 2.88Å; V38-M104 HydrophobicContact CG2-CE 3.58Å; V38-M104 HydrophobicContact CG2-CG 4.06Å
39V95.8Very high94.3Very high50 Ų5038.2 Ų38.230%0.30320%0.2SC..Hα-helixtrans-61.8-46.4178.2171.60000110.8I35 V36 F41 I42 Q43 W176 L180I35-V39 HydrophobicContact CG2-CG2 4.49Å; I35-V39 WeakPolarHBondContact O-CG2 3.37Å; I35-V39 PolarHBondContact O-N 3.42Å; V36-V39 PolarHBondContact O-N 3.05Å; V39-F41 VanDerWaalsContact C-N 3.28Å; V39-F41 PolarHBondContact O-N 3.07Å; V39-I42 PolarHBondContact O-N 3.3Å; V39-Q43 HydrophobicContact CG1-CB 4.44Å; V39-Q43 WeakPolarHBondContact O-CB 3.35Å; V39-Q43 PolarHBondContact O-N 3.29Å; V39-W176 HydrophobicContact CG1-CH2 3.85Å; V39-W176 HydrophobicContact CG1-CZ3 3.64Å; V39-L180 HydrophobicContact CG1-CD1 4.25Å
40V95.6Very high94Very high1 Ų135.6 Ų35.61%0.00619%0.193CC..Hα-helixtrans-59-39.8178.1164.70000111.5V36 N37 W46 V100 L180 A181V36-V40 HydrophobicContact CG1-CG2 4.12Å; V36-V40 WeakPolarHBondContact O-CB 3.34Å; V36-V40 WeakPolarHBondContact O-CG2 3.4Å; V36-V40 PolarHBondContact O-N 3.05Å; N37-V40 PolarHBondContact O-N 3.21Å; V40-W46 HydrophobicContact CG1-CH2 4.3Å; V40-W46 HydrophobicContact CG1-CZ2 3.43Å; V40-W46 VanDerWaalsContact CG1-CZ2 3.43Å; V40-W46 PolarHBondContact O-NE1 3.19Å; V40-V100 HydrophobicContact CG1-CG1 4.27Å; V40-L180 HydrophobicContact CG2-CB 3.61Å; V40-A181 HydrophobicContact CG1-CB 3.71Å; V40-A181 HydrophobicContact CG2-CB 4.31Å
41F94.9Very high93.6Very high22 Ų2242.9 Ų42.910%0.09624%0.238CC..Hα-helixtrans-70.5-47.3178.4179.6-108.3000112.8N37 V38 V39 L61 F62 F82 V100 L101N37-F41 WeakPolarHBondContact O-CB 3.49Å; N37-F41 PolarHBondContact O-N 3.4Å; V38-F41 PolarHBondContact O-N 2.97Å; V39-F41 VanDerWaalsContact C-N 3.28Å; V39-F41 PolarHBondContact O-N 3.07Å; F41-L61 HydrophobicContact CD2-CD1 4.13Å; F41-F62 HydrophobicContact CD1-CE1 4.28Å; F41-F62 HydrophobicContact CD2-CE1 4.33Å; F41-F62 AromaticContact CE1-CE1 3.85Å; F41-F62 HydrophobicContact CE1-CE1 3.85Å; F41-F62 HydrophobicContact CE1-CZ 4.4Å; F41-F62 HydrophobicContact CE2-CD1 4.1Å; F41-F62 AromaticContact CE2-CE1 3.88Å; F41-F62 HydrophobicContact CE2-CE1 3.88Å; F41-F62 HydrophobicContact CZ-CD1 4.08Å; F41-F62 AromaticContact CZ-CE1 3.62Å; F41-F62 HydrophobicContact CZ-CE1 3.62Å; F41-F62 HydrophobicContact CZ-CZ 4.49Å; F41-F62 VanDerWaalsContact O-CE1 3.26Å; F41-F62 WeakPolarHBondContact O-CE1 3.35Å; F41-F82 HydrophobicContact CZ-CD2 4.18Å; F41-F82 HydrophobicContact CZ-CE2 4.47Å; F41-V100 HydrophobicContact CB-CG1 4.19Å; F41-V100 HydrophobicContact CD2-CB 4.42Å; F41-V100 HydrophobicContact CD2-CG1 4.09Å; F41-L101 HydrophobicContact CD2-CB 4.21Å; F41-L101 HydrophobicContact CE1-CD1 3.97Å; F41-L101 HydrophobicContact CE2-CB 3.62Å; F41-L101 HydrophobicContact CE2-CD1 4.18Å; F41-L101 HydrophobicContact CE2-CG 4.38Å; F41-L101 HydrophobicContact CZ-CB 4.01Å; F41-L101 HydrophobicContact CZ-CD1 3.77Å; F41-L101 HydrophobicContact CZ-CD2 4.43Å; F41-L101 HydrophobicContact CZ-CG 4.28Å
42I92.6Very high93Very high101 Ų10146.6 Ų46.652%0.51825%0.251SS..Hα-helixtrans-77.4-35.8-173-65.7175.8000111.9V38 V39 P44V38-I42 HydrophobicContact CG1-CD1 3.58Å; V38-I42 HydrophobicContact CG1-CG1 4.35Å; V38-I42 WeakPolarHBondContact O-CG1 3.36Å; V38-I42 PolarHBondContact O-N 2.88Å; V39-I42 PolarHBondContact O-N 3.3Å; I42-P44 WeakPolarHBondContact O-CD 3.43Å
43Q93.5Very high92.5Very high52 Ų5244.3 Ų44.324%0.24324%0.235CC..  trans-78.3126.5-165.8-172.371.4-600112.5V39 Y45 W176 A177V39-Q43 HydrophobicContact CG1-CB 4.44Å; V39-Q43 WeakPolarHBondContact O-CB 3.35Å; V39-Q43 PolarHBondContact O-N 3.29Å; Q43-Y45 HydrophobicContact CG-CD2 3.48Å; Q43-Y45 VanDerWaalsContact CG-CD2 3.48Å; Q43-Y45 HydrophobicContact CG-CE2 4.3Å; Q43-Y45 HydrophobicContact CG-CG 4.08Å; Q43-Y45 PolarHBondContact O-N 3.48Å; Q43-W176 HydrophobicContact CB-CH2 4.12Å; Q43-W176 HydrophobicContact CG-CH2 3.41Å; Q43-W176 VanDerWaalsContact CG-CH2 3.41Å; Q43-W176 HydrophobicContact CG-CZ2 3.45Å; Q43-W176 VanDerWaalsContact CG-CZ2 3.45Å; Q43-W176 HydrophobicContact CG-CZ3 4.23Å; Q43-W176 VanDerWaalsContact NE2-CZ2 3.32Å; Q43-A177 HydrophobicContact CB-CB 4.42Å; Q43-A177 HydrophobicContact CG-CB 4.49Å
44P91.1Very high91.7Very high20 Ų2048.7 Ų48.713%0.1326%0.264CS..  trans-81.927.8-177.535.5-38.4000114.2I42 H58 F59 G60I42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-H58 PolarHBondContact O-CD2 3.38Å; P44-H58 VanDerWaalsContact O-CD2 3.28Å; P44-F59 CarbonylContact C-O 3.55Å; P44-F59 CarbonylContact O-C 3.55Å; P44-F59 PolarHBondContact O-N 2.88Å; P44-G60 VanDerWaalsContact CA-CA 3.48Å; P44-G60 PolarHBondContact O-N 3.4Å
45Y93.3Very high90.9Very high73 Ų7351.4 Ų51.429%0.28628%0.276SS..  trans-113.752.3-172.9-66.6-112.1000110Q43 R175 W176 A177Q43-Y45 HydrophobicContact CG-CD2 3.48Å; Q43-Y45 VanDerWaalsContact CG-CD2 3.48Å; Q43-Y45 HydrophobicContact CG-CE2 4.3Å; Q43-Y45 HydrophobicContact CG-CG 4.08Å; Q43-Y45 PolarHBondContact O-N 3.48Å; Y45-R175 VanDerWaalsContact CD1-NH1 3.33Å; Y45-R175 CarbonylContact O-C 3.58Å; Y45-R175 WeakPolarHBondContact O-CB 3.44Å; Y45-W176 AromaticContact CD1-NE1 3.8Å; Y45-W176 HydrophobicContact CG-CZ2 4.46Å; Y45-W176 AromaticContact CG-NE1 3.84Å; Y45-A177 WeakPolarHBondContact O-CB 3.47Å; Y45-A177 PolarHBondContact O-N 2.81Å
46W94.8Very high90.4Very high0 Ų051.4 Ų51.40%028%0.276CS..SBendtrans-86.1-47.4171.9-77.655.1000110.4V40 F59 L61 V100 F147 R175 Y178 A181V40-W46 HydrophobicContact CG1-CH2 4.3Å; V40-W46 HydrophobicContact CG1-CZ2 3.43Å; V40-W46 VanDerWaalsContact CG1-CZ2 3.43Å; V40-W46 PolarHBondContact O-NE1 3.19Å; W46-F59 WeakPolarHBondContact CB-O 3.05Å; W46-F59 PolarHBondContact N-O 2.85Å; W46-L61 HydrophobicContact CD2-CD2 4.43Å; W46-L61 HydrophobicContact CD2-CG 4.11Å; W46-L61 HydrophobicContact CE3-CD2 4.32Å; W46-L61 HydrophobicContact CE3-CG 4.49Å; W46-L61 HydrophobicContact CH2-CD1 4.25Å; W46-L61 HydrophobicContact CH2-CD2 3.87Å; W46-L61 HydrophobicContact CH2-CG 4.23Å; W46-L61 HydrophobicContact CZ2-CD1 3.47Å; W46-L61 VanDerWaalsContact CZ2-CD1 3.47Å; W46-L61 HydrophobicContact CZ2-CD2 3.89Å; W46-L61 HydrophobicContact CZ2-CG 3.72Å; W46-L61 HydrophobicContact CZ3-CD2 4.08Å; W46-V100 HydrophobicContact CH2-CG2 4.02Å; W46-V100 HydrophobicContact CZ2-CG2 4.36Å; W46-F147 HydrophobicContact CB-CE1 3.79Å; W46-F147 HydrophobicContact CB-CE2 4.43Å; W46-F147 HydrophobicContact CB-CZ 3.59Å; W46-F147 HydrophobicContact CD2-CE1 4.35Å; W46-F147 HydrophobicContact CD2-CE2 4.38Å; W46-F147 HydrophobicContact CD2-CZ 4.24Å; W46-F147 HydrophobicContact CE3-CB 4.33Å; W46-F147 AromaticContact CE3-CD1 3.58Å; W46-F147 HydrophobicContact CE3-CD1 3.58Å; W46-F147 AromaticContact CE3-CD2 3.83Å; W46-F147 HydrophobicContact CE3-CD2 3.83Å; W46-F147 AromaticContact CE3-CE1 3.67Å; W46-F147 HydrophobicContact CE3-CE1 3.67Å; W46-F147 AromaticContact CE3-CE2 3.96Å; W46-F147 HydrophobicContact CE3-CE2 3.96Å; W46-F147 AromaticContact CE3-CG 3.65Å; W46-F147 HydrophobicContact CE3-CG 3.65Å; W46-F147 AromaticContact CE3-CZ 3.88Å; W46-F147 HydrophobicContact CE3-CZ 3.88Å; W46-F147 HydrophobicContact CG-CE1 4.45Å; W46-F147 HydrophobicContact CG-CZ 4.16Å; W46-F147 HydrophobicContact CZ3-CB 4.08Å; W46-F147 HydrophobicContact CZ3-CD1 4.15Å; W46-F147 HydrophobicContact CZ3-CD2 4.21Å; W46-F147 AromaticContact CZ3-CG 3.9Å; W46-F147 HydrophobicContact CZ3-CG 3.9Å; W46-R175 PolarHBondContact O-N 2.83Å; W46-Y178 HydrophobicContact CD2-CD2 4.29Å; W46-Y178 AromaticContact CE3-CD2 3.44Å; W46-Y178 HydrophobicContact CE3-CD2 3.44Å; W46-Y178 VanDerWaalsContact CE3-CD2 3.44Å; W46-Y178 HydrophobicContact CE3-CE2 4.07Å; W46-Y178 AromaticContact CZ3-CD2 3.64Å; W46-Y178 HydrophobicContact CZ3-CD2 3.64Å; W46-Y178 AromaticContact CZ3-CE2 3.95Å; W46-Y178 HydrophobicContact CZ3-CE2 3.95Å; W46-A181 HydrophobicContact CH2-CB 4.17Å; W46-A181 HydrophobicContact CZ2-CB 4.36Å
47I93.4Very high90.2Very high2 Ų249.2 Ų49.21%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-132.9154.2175.3-68.1169.2000108.6H58 F59 F147 W151 L169 C172I47-H58 CarbonylContact O-C 3.49Å; I47-H58 VanDerWaalsContact O-CA 3.3Å; I47-H58 WeakPolarHBondContact O-CA 3.46Å; I47-F59 HydrophobicContact CB-CB 4.44Å; I47-F59 HydrophobicContact CG2-CD2 4.46Å; I47-F59 PolarHBondContact N-O 3.48Å; I47-F59 VanDerWaalsContact N-O 3.08Å; I47-F59 PolarHBondContact O-N 3.22Å; I47-F147 HydrophobicContact CD1-CD1 4.26Å; I47-F147 HydrophobicContact CD1-CE1 3.41Å; I47-F147 VanDerWaalsContact CD1-CE1 3.41Å; I47-F147 HydrophobicContact CD1-CZ 4.14Å; I47-F147 HydrophobicContact CG1-CE1 3.89Å; I47-W151 HydrophobicContact CD1-CD2 4.12Å; I47-W151 HydrophobicContact CD1-CG 4.34Å; I47-W151 HydrophobicContact CD1-CZ2 3.6Å; I47-L169 HydrophobicContact CB-CD2 4.34Å; I47-L169 HydrophobicContact CD1-CD2 3.85Å; I47-L169 HydrophobicContact CG1-CD2 3.92Å; I47-L169 HydrophobicContact CG2-CD2 3.47Å; I47-L169 VanDerWaalsContact CG2-CD2 3.47Å; I47-C172 HydrophobicContact CG2-CB 4.01Å
48G91.4Very high90Very high0 Ų049.8 Ų49.80%027%0.265CS..EExtended strand (participates in β ladder)trans-171.4-160.2162.500000113.8G57 C172 S173G48-G57 CarbonylContact C-O 3.55Å; G48-G57 WeakPolarHBondContact CA-O 3.45Å; G48-C172 WeakPolarHBondContact O-CB 3.31Å; G48-S173 PolarHBondContact N-O 2.71Å; G48-S173 PolarHBondContact O-N 2.75Å
49D89.8Confident89.7Confident37 Ų3748 Ų4820%0.19825%0.254CS..  trans-60157-17764.1-79.7000112.1T53 H55 G57 M159 S173 R175D49-T53 WeakPolarHBondContact CA-OG1 3.42Å; D49-T53 VanDerWaalsContact CB-OG1 3.29Å; D49-T53 WeakPolarHBondContact CB-OG1 3.21Å; D49-H55 WeakPolarHBondContact CB-O 3.3Å; D49-G57 PolarHBondContact N-O 3.43Å; D49-G57 PolarHBondContact OD1-N 3.18Å; D49-M159 VanDerWaalsContact CA-CE 3.47Å; D49-M159 HydrophobicContact CB-CE 3.43Å; D49-M159 VanDerWaalsContact CB-CE 3.43Å; D49-M159 VanDerWaalsContact N-CE 3.29Å; D49-S173 PolarHBondContact O-OG 2.98Å; D49-R175 VanDerWaalsContact CG-NH2 3.32Å; D49-R175 IonicContact OD1-CZ 3.85Å; D49-R175 IonicContact OD1-NH2 2.75Å; D49-R175 PolarHBondContact OD1-NH2 3.38Å; D49-R175 IonicContact OD2-NH2 3.39Å
50S87.7Confident89.6Confident42 Ų4246 Ų4629%0.29424%0.243SC..  trans-135176.6176.6-173.70000108.6K52 T53 D171S50-K52 PolarHBondContact O-N 3.48Å; S50-T53 PolarHBondContact N-OG1 2.9Å; S50-T53 PolarHBondContact O-N 3.23Å; S50-T53 PolarHBondContact O-OG1 3.25Å; S50-D171 WeakPolarHBondContact CB-O 3.15Å
51V85.5Confident89.3Confident154 Ų15446.1 Ų46.193%0.93324%0.243SC*.THydrogen-bonded Turntrans-61.6-20.1176.5-169.20000112.2
52K83.6Confident89Confident158 Ų15846.7 Ų46.769%0.68725%0.246SC*.THydrogen-bonded Turntrans-90.4-18.1-178.5-62.8-178.9-179.6-178.50114.1S50 D171S50-K52 PolarHBondContact O-N 3.48Å; K52-D171 HydrophobicContact CB-CB 4.01Å
53T83.4Confident88.8Confident17 Ų1744.4 Ų44.410%0.10423%0.233CC..  trans-81.1138.4-173.448.20000111.2D49 S50 H55 D171D49-T53 WeakPolarHBondContact CA-OG1 3.42Å; D49-T53 VanDerWaalsContact CB-OG1 3.29Å; D49-T53 WeakPolarHBondContact CB-OG1 3.21Å; S50-T53 PolarHBondContact N-OG1 2.9Å; S50-T53 PolarHBondContact O-N 3.23Å; S50-T53 PolarHBondContact O-OG1 3.25Å; T53-H55 VanDerWaalsContact C-N 3.27Å; T53-H55 PolarHBondContact O-N 3.46Å; T53-H55 PolarHBondContact OG1-O 2.72Å; T53-D171 HydrophobicContact CG2-CB 3.85Å; T53-D171 WeakPolarHBondContact CG2-O 3.25Å
54P78.6Confident88.6Confident97 Ų9743.9 Ų43.963%0.6323%0.229SC*.SBendtrans-71.3-23.5-179.828.5-34.3000113
55H80.8Confident88.6Confident61 Ų6143.1 Ų43.128%0.28222%0.224SC..SBendtrans-121.5145.1-178-56.8-54.2000110.9D49 T53 V69 M159D49-H55 WeakPolarHBondContact CB-O 3.3Å; T53-H55 VanDerWaalsContact C-N 3.27Å; T53-H55 PolarHBondContact O-N 3.46Å; T53-H55 PolarHBondContact OG1-O 2.72Å; H55-V69 VanDerWaalsContact CE1-CG2 3.41Å; H55-V69 WeakPolarHBondContact CE1-CG2 2.99Å; H55-M159 HydrophobicContact CB-CG 4.42Å
56I85.6Confident88.3Confident103 Ų10341.3 Ų41.353%0.52822%0.221SC..  trans-86.6137.8174.4-61.1168.6000108G67 L76I56-G67 PolarHBondContact O-N 3.38Å; I56-L76 HydrophobicContact CG2-CD2 4.47Å
57G90Very high87.8Confident0 Ų042.2 Ų42.20%023%0.23CC..EExtended strand (participates in β ladder)trans177.1166.6-178.400000113.5G48 D49 C65 M159 R175G48-G57 CarbonylContact C-O 3.55Å; G48-G57 WeakPolarHBondContact CA-O 3.45Å; D49-G57 PolarHBondContact N-O 3.43Å; D49-G57 PolarHBondContact OD1-N 3.18Å; G57-C65 CarbonylContact C-O 3.59Å; G57-C65 WeakPolarHBondContact CA-O 3.45Å; G57-M159 VanDerWaalsContact CA-CE 3.45Å; G57-M159 WeakPolarHBondContact O-CE 3.33Å; G57-R175 PolarHBondContact O-NH2 3.25Å
58H91.6Very high86.8Confident15 Ų1545.1 Ų45.17%0.06925%0.25CS..EExtended strand (participates in β ladder)trans-152.2145.6176.851-86.8000111.5P44 I47 Y64 C65P44-H58 PolarHBondContact O-CD2 3.38Å; P44-H58 VanDerWaalsContact O-CD2 3.28Å; I47-H58 CarbonylContact O-C 3.49Å; I47-H58 VanDerWaalsContact O-CA 3.3Å; I47-H58 WeakPolarHBondContact O-CA 3.46Å; H58-Y64 CarbonylContact O-C 3.55Å; H58-Y64 VanDerWaalsContact O-CA 3.3Å; H58-Y64 WeakPolarHBondContact O-CA 3.48Å; H58-C65 PolarHBondContact N-O 3.14Å; H58-C65 PolarHBondContact O-N 2.95Å
59F91.5Very high85.5Confident4 Ų450.7 Ų50.72%0.01828%0.284CS..EExtended strand (participates in β ladder)trans-118129.5-177.4-62.1-88.6000109.4P44 W46 I47 Y64 V66 V155 I156 M159P44-F59 CarbonylContact C-O 3.55Å; P44-F59 CarbonylContact O-C 3.55Å; P44-F59 PolarHBondContact O-N 2.88Å; W46-F59 WeakPolarHBondContact CB-O 3.05Å; W46-F59 PolarHBondContact N-O 2.85Å; I47-F59 HydrophobicContact CB-CB 4.44Å; I47-F59 HydrophobicContact CG2-CD2 4.46Å; I47-F59 PolarHBondContact N-O 3.48Å; I47-F59 VanDerWaalsContact N-O 3.08Å; I47-F59 PolarHBondContact O-N 3.22Å; F59-Y64 HydrophobicContact CD1-CD2 4.21Å; F59-Y64 AromaticContact CD1-CG 3.88Å; F59-Y64 HydrophobicContact CD1-CG 3.88Å; F59-Y64 AromaticContact CE1-CD2 3.85Å; F59-Y64 HydrophobicContact CE1-CD2 3.85Å; F59-Y64 AromaticContact CE1-CG 3.98Å; F59-Y64 HydrophobicContact CE1-CG 3.98Å; F59-V66 HydrophobicContact CZ-CG2 4.22Å; F59-V155 HydrophobicContact CE1-CG1 4.22Å; F59-V155 HydrophobicContact CE1-CG2 4.14Å; F59-V155 HydrophobicContact CZ-CG2 4.43Å; F59-I156 HydrophobicContact CD1-CG1 4.15Å; F59-I156 HydrophobicContact CD2-CG1 4.47Å; F59-I156 HydrophobicContact CE1-CG1 3.87Å; F59-I156 HydrophobicContact CE2-CG1 4.14Å; F59-I156 HydrophobicContact CG-CG1 4.47Å; F59-I156 HydrophobicContact CZ-CG1 3.87Å; F59-M159 HydrophobicContact CD2-SD 4.2Å; F59-M159 HydrophobicContact CE2-CB 4.23Å; F59-M159 HydrophobicContact CE2-CG 4.38Å; F59-M159 HydrophobicContact CE2-SD 3.28Å; F59-M159 WeakPolarHBondContact CE2-SD 3.39Å; F59-M159 HydrophobicContact CZ-CB 4.27Å; F59-M159 HydrophobicContact CZ-SD 3.86Å
60G92.3Very high84Confident6 Ų657.1 Ų57.16%0.06231%0.313CS..  trans-99.4-164.6163.500000112.4P44 H63P44-G60 VanDerWaalsContact CA-CA 3.48Å; P44-G60 PolarHBondContact O-N 3.4Å; G60-H63 VanDerWaalsContact CA-O 3.3Å; G60-H63 WeakPolarHBondContact CA-O 3.36Å; G60-H63 PolarHBondContact N-O 3.13Å
61L90.1Very high82.4Confident4 Ų457.1 Ų57.12%0.02132%0.316CS..SBendtrans-67.1-47.5175.6-75.3157.2000112.7F41 W46 A96 S97 V100 F147F41-L61 HydrophobicContact CD2-CD1 4.13Å; W46-L61 HydrophobicContact CD2-CD2 4.43Å; W46-L61 HydrophobicContact CD2-CG 4.11Å; W46-L61 HydrophobicContact CE3-CD2 4.32Å; W46-L61 HydrophobicContact CE3-CG 4.49Å; W46-L61 HydrophobicContact CH2-CD1 4.25Å; W46-L61 HydrophobicContact CH2-CD2 3.87Å; W46-L61 HydrophobicContact CH2-CG 4.23Å; W46-L61 HydrophobicContact CZ2-CD1 3.47Å; W46-L61 VanDerWaalsContact CZ2-CD1 3.47Å; W46-L61 HydrophobicContact CZ2-CD2 3.89Å; W46-L61 HydrophobicContact CZ2-CG 3.72Å; W46-L61 HydrophobicContact CZ3-CD2 4.08Å; L61-A96 HydrophobicContact CD2-CB 4.04Å; L61-S97 VanDerWaalsContact C-OG 3.24Å; L61-S97 WeakPolarHBondContact CB-OG 3.25Å; L61-S97 PolarHBondContact O-OG 3.41Å; L61-V100 HydrophobicContact CD1-CB 3.94Å; L61-V100 HydrophobicContact CD1-CG1 3.8Å; L61-V100 HydrophobicContact CD1-CG2 4.16Å; L61-V100 HydrophobicContact CD2-CB 4.48Å; L61-V100 HydrophobicContact CD2-CG2 4.01Å; L61-F147 HydrophobicContact CD2-CD2 3.99Å; L61-F147 HydrophobicContact CD2-CE2 4.38Å
62F88.9Confident80.9Confident34 Ų3456.6 Ų56.615%0.14932%0.319CS..SBendtrans-129-9.1-175.359.6-97000114F41 G80 F82 I88F41-F62 HydrophobicContact CD1-CE1 4.28Å; F41-F62 HydrophobicContact CD2-CE1 4.33Å; F41-F62 AromaticContact CE1-CE1 3.85Å; F41-F62 HydrophobicContact CE1-CE1 3.85Å; F41-F62 HydrophobicContact CE1-CZ 4.4Å; F41-F62 HydrophobicContact CE2-CD1 4.1Å; F41-F62 AromaticContact CE2-CE1 3.88Å; F41-F62 HydrophobicContact CE2-CE1 3.88Å; F41-F62 HydrophobicContact CZ-CD1 4.08Å; F41-F62 AromaticContact CZ-CE1 3.62Å; F41-F62 HydrophobicContact CZ-CE1 3.62Å; F41-F62 HydrophobicContact CZ-CZ 4.49Å; F41-F62 VanDerWaalsContact O-CE1 3.26Å; F41-F62 WeakPolarHBondContact O-CE1 3.35Å; F62-G80 WeakPolarHBondContact O-CA 3.41Å; F62-F82 HydrophobicContact CD2-CB 4.27Å; F62-F82 HydrophobicContact CG-CB 4.44Å; F62-I88 HydrophobicContact CB-CD1 4.21Å
63H88.8Confident79.5Confident54 Ų5452.5 Ų52.525%0.2531%0.31CS..  trans-128.8139.3-179-173.7-86.2000109.4G60 C65 C78 G80G60-H63 VanDerWaalsContact CA-O 3.3Å; G60-H63 WeakPolarHBondContact CA-O 3.36Å; G60-H63 PolarHBondContact N-O 3.13Å; H63-C65 PolarHBondContact CE1-SG 3.47Å; H63-C78 VanDerWaalsContact CE1-CB 3.42Å; H63-C78 WeakPolarHBondContact CE1-CB 3.36Å; H63-G80 PolarHBondContact CD2-O 2.99Å
64Y89.4Confident78.7Confident40 Ų4063.3 Ų63.316%0.15735%0.349CS..EExtended strand (participates in β ladder)trans-141.5151.4177.865.8-84.8000110.3H58 F59 V66 C78 V79 V155H58-Y64 CarbonylContact O-C 3.55Å; H58-Y64 VanDerWaalsContact O-CA 3.3Å; H58-Y64 WeakPolarHBondContact O-CA 3.48Å; F59-Y64 HydrophobicContact CD1-CD2 4.21Å; F59-Y64 AromaticContact CD1-CG 3.88Å; F59-Y64 HydrophobicContact CD1-CG 3.88Å; F59-Y64 AromaticContact CE1-CD2 3.85Å; F59-Y64 HydrophobicContact CE1-CD2 3.85Å; F59-Y64 AromaticContact CE1-CG 3.98Å; F59-Y64 HydrophobicContact CE1-CG 3.98Å; Y64-V66 HydrophobicContact CD2-CG2 4.03Å; Y64-V66 HydrophobicContact CE2-CG2 4.46Å; Y64-C78 CarbonylContact O-C 3.54Å; Y64-C78 WeakPolarHBondContact O-CA 3.47Å; Y64-V79 WeakPolarHBondContact CD1-O 3.07Å; Y64-V79 HydrophobicContact CE1-CB 3.94Å; Y64-V79 HydrophobicContact CE1-CG1 4.07Å; Y64-V79 HydrophobicContact CE2-CB 4.06Å; Y64-V79 PolarHBondContact N-O 3.35Å; Y64-V79 PolarHBondContact O-N 3.09Å; Y64-V79 VanDerWaalsContact O-O 3.14Å; Y64-V79 WeakPolarHBondContact OH-CG1 3.36Å; Y64-V155 HydrophobicContact CD2-CG2 4.41Å; Y64-V155 HydrophobicContact CE2-CG2 3.85Å
65C89.6Confident78.6Confident4 Ų463.7 Ų63.73%0.02735%0.346CS..EExtended strand (participates in β ladder)trans-130.7127.9178-58.70000109.4G57 H58 H63 L76 T77 C78G57-C65 CarbonylContact C-O 3.59Å; G57-C65 WeakPolarHBondContact CA-O 3.45Å; H58-C65 PolarHBondContact N-O 3.14Å; H58-C65 PolarHBondContact O-N 2.95Å; H63-C65 PolarHBondContact CE1-SG 3.47Å; C65-L76 HydrophobicContact CB-CB 4.41Å; C65-T77 WeakPolarHBondContact CA-O 3.48Å; C65-C78 HydrophobicContact CB-CB 4.16Å; C65-C78 WeakPolarHBondContact CB-SG 3.18Å; C65-C78 WeakPolarHBondContact SG-CB 3.5Å; C65-C78 CovalentContact SG-SG 2.05Å; C65-C78 PolarHBondContact SG-SG 3.2Å
66V88.4Confident78.7Confident36 Ų3664.1 Ų64.122%0.21835%0.35CS..EExtended strand (participates in β ladder)trans-125.8138.7179.2-177.20000108.9F59 Y64 T77 M159F59-V66 HydrophobicContact CZ-CG2 4.22Å; Y64-V66 HydrophobicContact CD2-CG2 4.03Å; Y64-V66 HydrophobicContact CE2-CG2 4.46Å; V66-T77 PolarHBondContact N-O 3.29Å; V66-T77 PolarHBondContact O-N 3.14Å; V66-M159 HydrophobicContact CG2-SD 4.44Å
67G83.6Confident78.7Confident19 Ų1963.3 Ų63.320%0.19635%0.349CS..EExtended strand (participates in β ladder)trans-73.3136.3177.100000111.7I56I56-G67 PolarHBondContact O-N 3.38Å
68S72.4Confident78.6Confident62 Ų6266.4 Ų66.443%0.43437%0.371SS..  trans-73.6137.7175.6-178.30000111.5Q70 D75S68-Q70 PolarHBondContact O-N 2.94Å; S68-D75 PolarHBondContact N-O 3.32Å
69V63.5Low78.3Confident117 Ų11768.3 Ų68.371%0.70938%0.383SS*.THydrogen-bonded Turntrans-69.4-19.6-180-169.80000112.3H55H55-V69 VanDerWaalsContact CE1-CG2 3.41Å; H55-V69 WeakPolarHBondContact CE1-CG2 2.99Å
70Q58.8Low77.7Confident172 Ų17269 Ų6980%0.80439%0.392SS*.THydrogen-bonded Turntrans-101.9-10.1-164.1-163.758.558.400114.9S68S68-Q70 PolarHBondContact O-N 2.94Å
71A53.7Low77.1Confident43 Ų4371.4 Ų71.436%0.35541%0.407SS..  trans-110.2126.4-175.300000111.6S73A71-S73 PolarHBondContact O-N 2.99Å; A71-S73 VanDerWaalsContact O-O 3.13Å
72S53.5Low76.2Confident143 Ų14374.4 Ų74.4100%142%0.42SS*.SBendtrans-66.8-6.5170.848.30000113.6
73S55.4Low75.4Confident71 Ų7178 Ų7850%0.49745%0.449SS..SBendtrans-91.6143.1168460000110.3A71 D75A71-S73 PolarHBondContact O-N 2.99Å; A71-S73 VanDerWaalsContact O-O 3.13Å; S73-D75 PolarHBondContact O-N 3.39Å
74R65.9Low74.9Confident245 Ų24579.7 Ų79.793%0.92546%0.46SS*.  trans-65.654.9173.2-67.5177.6172.1142.8-3112.1
75D76.6Confident74Confident105 Ų10582.3 Ų82.356%0.56147%0.473SS*.  trans-89.2115-175.2-143.82.9000109.2S68 S73S68-D75 PolarHBondContact N-O 3.32Å; S73-D75 PolarHBondContact O-N 3.39Å
76L82.6Confident73Confident70 Ų7085.2 Ų85.237%0.36650%0.503SS..EExtended strand (participates in β ladder)trans-98.4119-177.8-71.7162000107.9I56 C65 C78I56-L76 HydrophobicContact CG2-CD2 4.47Å; C65-L76 HydrophobicContact CB-CB 4.41Å; L76-C78 PolarHBondContact O-N 3.01Å
77T86.6Confident72.1Confident85 Ų8585 Ų8552%0.52150%0.504SS..EExtended strand (participates in β ladder)trans-85.5112.7172.4-55.60000108.3C65 V66 V79C65-T77 WeakPolarHBondContact CA-O 3.48Å; V66-T77 PolarHBondContact N-O 3.29Å; V66-T77 PolarHBondContact O-N 3.14Å; T77-V79 HydrophobicContact CG2-CG2 4.16Å
78C88.1Confident71.7Confident66 Ų6684.5 Ų84.545%0.44650%0.496SS..EExtended strand (participates in β ladder)trans-99.2125.9-178.8-71.40000110.4H63 Y64 C65 L76H63-C78 VanDerWaalsContact CE1-CB 3.42Å; H63-C78 WeakPolarHBondContact CE1-CB 3.36Å; Y64-C78 CarbonylContact O-C 3.54Å; Y64-C78 WeakPolarHBondContact O-CA 3.47Å; C65-C78 HydrophobicContact CB-CB 4.16Å; C65-C78 WeakPolarHBondContact CB-SG 3.18Å; C65-C78 WeakPolarHBondContact SG-CB 3.5Å; C65-C78 CovalentContact SG-SG 2.05Å; C65-C78 PolarHBondContact SG-SG 3.2Å; L76-C78 PolarHBondContact O-N 3.01Å
79V85.1Confident71.7Confident55 Ų5584.2 Ų84.233%0.33349%0.493SS..EExtended strand (participates in β ladder)trans-132146.9-175.4-176.60000109.7Y64 T77Y64-V79 WeakPolarHBondContact CD1-O 3.07Å; Y64-V79 HydrophobicContact CE1-CB 3.94Å; Y64-V79 HydrophobicContact CE1-CG1 4.07Å; Y64-V79 HydrophobicContact CE2-CB 4.06Å; Y64-V79 PolarHBondContact N-O 3.35Å; Y64-V79 PolarHBondContact O-N 3.09Å; Y64-V79 VanDerWaalsContact O-O 3.14Å; Y64-V79 WeakPolarHBondContact OH-CG1 3.36Å; T77-V79 HydrophobicContact CG2-CG2 4.16Å
80G78.5Confident72.5Confident19 Ų1979.3 Ų79.320%0.19646%0.464CS..  trans113.4142176.800000111.8F62 H63F62-G80 WeakPolarHBondContact O-CA 3.41Å; H63-G80 PolarHBondContact CD2-O 2.99Å
81S79.3Confident73.8Confident55 Ų5573.8 Ų73.839%0.38545%0.453SS..  trans-146.3144.3170.9175.70000107.9S83 D84S81-S83 PolarHBondContact O-N 3.21Å; S81-S83 VanDerWaalsContact O-N 3.15Å; S81-S83 PolarHBondContact OG-N 3.43Å; S81-D84 CarbonylContact O-C 3.42Å; S81-D84 PolarHBondContact O-N 3.03Å
82F71.2Confident75.4Confident67 Ų6772.4 Ų72.429%0.29444%0.441SS..THydrogen-bonded Turntrans-59.5-25.8175.2-178-99.9000112.3F41 F62 F85 L101F41-F82 HydrophobicContact CZ-CD2 4.18Å; F41-F82 HydrophobicContact CZ-CE2 4.47Å; F62-F82 HydrophobicContact CD2-CB 4.27Å; F62-F82 HydrophobicContact CG-CB 4.44Å; F82-F85 HydrophobicContact CE1-CZ 4.4Å; F82-F85 HydrophobicContact CE2-CE1 4.37Å; F82-F85 HydrophobicContact CE2-CZ 4.04Å; F82-F85 AromaticContact CZ-CZ 3.93Å; F82-F85 HydrophobicContact CZ-CZ 3.93Å; F82-F85 WeakPolarHBondContact O-CE2 3.41Å; F82-L101 HydrophobicContact CE1-CD2 3.95Å; F82-L101 HydrophobicContact CE2-CD2 3.6Å; F82-L101 HydrophobicContact CZ-CD2 3.2Å
83S72.2Confident77.1Confident109 Ų10965.9 Ų65.976%0.76240%0.395SS*.THydrogen-bonded Turntrans-82.9-13.1177.8-59.10000113.9S81S81-S83 PolarHBondContact O-N 3.21Å; S81-S83 VanDerWaalsContact O-N 3.15Å; S81-S83 PolarHBondContact OG-N 3.43Å
84D77.6Confident78.8Confident90 Ų9065.7 Ų65.748%0.48139%0.385SS..  trans-11577.8179.1-169.7-2.2000110.9S81 G86 S87S81-D84 CarbonylContact O-C 3.42Å; S81-D84 PolarHBondContact O-N 3.03Å; D84-G86 PolarHBondContact O-N 3.41Å; D84-G86 PolarHBondContact OD1-N 3.02Å; D84-G86 VanDerWaalsContact OD1-N 3.12Å; D84-S87 PolarHBondContact O-N 3.47Å; D84-S87 VanDerWaalsContact O-N 3.11Å; D84-S87 PolarHBondContact O-OG 3.3Å
85F71.5Confident80.1Confident95 Ų9555.8 Ų55.842%0.41736%0.356SS..THydrogen-bonded Turntrans-61.4-12.2176-69.9-82.8000113.2F82 I88 K94F82-F85 HydrophobicContact CE1-CZ 4.4Å; F82-F85 HydrophobicContact CE2-CE1 4.37Å; F82-F85 HydrophobicContact CE2-CZ 4.04Å; F82-F85 AromaticContact CZ-CZ 3.93Å; F82-F85 HydrophobicContact CZ-CZ 3.93Å; F82-F85 WeakPolarHBondContact O-CE2 3.41Å; F85-I88 HydrophobicContact CD1-CD1 4.3Å; F85-K94 WeakPolarHBondContact O-CE 3.42Å; F85-K94 PolarHBondContact O-NZ 3.29Å
86G68.5Low80.9Confident65 Ų6550.8 Ų50.867%0.6733%0.329SS*.THydrogen-bonded Turntrans-71-35.7173.900000112.6D84 I88D84-G86 PolarHBondContact O-N 3.41Å; D84-G86 PolarHBondContact OD1-N 3.02Å; D84-G86 VanDerWaalsContact OD1-N 3.12Å; G86-I88 VanDerWaalsContact C-N 3.35Å; G86-I88 PolarHBondContact O-N 3.23Å
87S69.8Low81.4Confident32 Ų3247.5 Ų47.522%0.22431%0.312CS..SBendtrans-77.1-10.8-174.2680000115.7D84D84-S87 PolarHBondContact O-N 3.47Å; D84-S87 VanDerWaalsContact O-N 3.11Å; D84-S87 PolarHBondContact O-OG 3.3Å
88I75.9Confident81.7Confident8 Ų846.9 Ų46.94%0.04131%0.308CS..  trans-83.5124.9-176.2-58.3167.7000109.5F62 F85 G86 S90 F93 K94F62-I88 HydrophobicContact CB-CD1 4.21Å; F85-I88 HydrophobicContact CD1-CD1 4.3Å; G86-I88 VanDerWaalsContact C-N 3.35Å; G86-I88 PolarHBondContact O-N 3.23Å; I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.97Å; I88-F93 HydrophobicContact CG2-CB 3.7Å; I88-K94 HydrophobicContact CB-CD 4.45Å; I88-K94 HydrophobicContact CB-CG 3.83Å; I88-K94 HydrophobicContact CD1-CG 3.96Å; I88-K94 HydrophobicContact CG2-CG 3.68Å; I88-K94 VanDerWaalsContact O-CE 3.27Å; I88-K94 WeakPolarHBondContact O-CE 3.25Å
89P70.7Confident82.1Confident57 Ų5746.9 Ų46.937%0.3730%0.3SS..SBendtrans-72.5-19.6-163.227.1-35.7000114.6F93 A153 V155P89-F93 HydrophobicContact CG-CD2 3.99Å; P89-F93 HydrophobicContact CG-CE2 4.3Å; P89-A153 HydrophobicContact CB-CB 4.2Å; P89-V155 HydrophobicContact CB-CG1 3.64Å; P89-V155 HydrophobicContact CG-CG1 3.72Å
90S80.8Confident82.6Confident14 Ų1444.2 Ų44.210%0.09829%0.285CS..  trans-136.7148.3178.876.70000112.7I88 A92 F93 K94I88-S90 VanDerWaalsContact C-N 3.34Å; I88-S90 PolarHBondContact O-N 2.97Å; S90-A92 PolarHBondContact O-N 2.93Å; S90-F93 PolarHBondContact O-N 3.3Å; S90-F93 WeakPolarHBondContact OG-CD2 3.24Å; S90-F93 VanDerWaalsContact OG-CG 3.22Å; S90-F93 WeakPolarHBondContact OG-CG 3.27Å; S90-F93 PolarHBondContact OG-N 2.9Å; S90-K94 WeakPolarHBondContact O-CG 3.35Å; S90-K94 PolarHBondContact O-N 2.86Å
91G85.6Confident83.5Confident55 Ų5545.2 Ų45.257%0.56729%0.285SS*.Hα-helixtrans-61.4-31.4171.400000112.5K94 A95G91-K94 WeakPolarHBondContact O-CB 3.32Å; G91-K94 PolarHBondContact O-N 3.5Å; G91-A95 PolarHBondContact O-N 3.22Å
92A88.6Confident84.3Confident14 Ų1446.2 Ų46.212%0.11629%0.286CS..Hα-helixtrans-63.9-45175.900000111.9S90 K94 A95 A96 I146 D149S90-A92 PolarHBondContact O-N 2.93Å; A92-K94 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.24Å; A92-A95 PolarHBondContact O-N 2.94Å; A92-A96 WeakPolarHBondContact O-CB 3.27Å; A92-A96 PolarHBondContact O-N 2.92Å; A92-I146 HydrophobicContact CB-CG2 4.13Å; A92-I146 VanDerWaalsContact O-CG2 3.29Å; A92-I146 WeakPolarHBondContact O-CG2 3.49Å; A92-D149 HydrophobicContact CB-CB 4.16Å
93F89.7Confident85.5Confident7 Ų743 Ų433%0.03127%0.272CS..Hα-helixtrans-65.5-35175.8-66.5-35.7000113.2I88 P89 S90 S97 F147 G150 W151 I156I88-F93 HydrophobicContact CG2-CB 3.7Å; P89-F93 HydrophobicContact CG-CD2 3.99Å; P89-F93 HydrophobicContact CG-CE2 4.3Å; S90-F93 PolarHBondContact O-N 3.3Å; S90-F93 WeakPolarHBondContact OG-CD2 3.24Å; S90-F93 VanDerWaalsContact OG-CG 3.22Å; S90-F93 WeakPolarHBondContact OG-CG 3.27Å; S90-F93 PolarHBondContact OG-N 2.9Å; F93-S97 VanDerWaalsContact O-CB 3.3Å; F93-S97 WeakPolarHBondContact O-CB 3.38Å; F93-S97 PolarHBondContact O-N 3.26Å; F93-S97 PolarHBondContact O-OG 3.37Å; F93-F147 AromaticContact CD1-CD2 3.47Å; F93-F147 HydrophobicContact CD1-CD2 3.47Å; F93-F147 VanDerWaalsContact CD1-CD2 3.47Å; F93-F147 AromaticContact CD1-CE2 3.52Å; F93-F147 HydrophobicContact CD1-CE2 3.52Å; F93-F147 HydrophobicContact CD1-CG 4.29Å; F93-F147 HydrophobicContact CD1-CZ 4.4Å; F93-F147 HydrophobicContact CE1-CD1 4.47Å; F93-F147 AromaticContact CE1-CD2 3.6Å; F93-F147 HydrophobicContact CE1-CD2 3.6Å; F93-F147 HydrophobicContact CE1-CE1 4.41Å; F93-F147 AromaticContact CE1-CE2 3.49Å; F93-F147 HydrophobicContact CE1-CE2 3.49Å; F93-F147 VanDerWaalsContact CE1-CE2 3.49Å; F93-F147 HydrophobicContact CE1-CG 4.1Å; F93-F147 AromaticContact CE1-CZ 3.93Å; F93-F147 HydrophobicContact CE1-CZ 3.93Å; F93-F147 VanDerWaalsContact CE1-O 3.24Å; F93-F147 WeakPolarHBondContact CE1-O 3.37Å; F93-G150 VanDerWaalsContact CE2-O 3.23Å; F93-G150 WeakPolarHBondContact CE2-O 3.33Å; F93-G150 VanDerWaalsContact CZ-C 3.42Å; F93-G150 WeakPolarHBondContact CZ-O 3.4Å; F93-W151 AromaticContact CZ-CD1 4Å; F93-I156 HydrophobicContact CE2-CD1 3.38Å; F93-I156 HydrophobicContact CZ-CD1 3.23Å
94K91.1Very high86.6Confident67 Ų6739.3 Ų39.329%0.29124%0.243SC..Hα-helixtrans-60.9-50.3172.3-64.4175.1-171-175.80110.8F85 I88 S90 G91 A92 S97 V98F85-K94 WeakPolarHBondContact O-CE 3.42Å; F85-K94 PolarHBondContact O-NZ 3.29Å; I88-K94 HydrophobicContact CB-CD 4.45Å; I88-K94 HydrophobicContact CB-CG 3.83Å; I88-K94 HydrophobicContact CD1-CG 3.96Å; I88-K94 HydrophobicContact CG2-CG 3.68Å; I88-K94 VanDerWaalsContact O-CE 3.27Å; I88-K94 WeakPolarHBondContact O-CE 3.25Å; S90-K94 WeakPolarHBondContact O-CG 3.35Å; S90-K94 PolarHBondContact O-N 2.86Å; G91-K94 WeakPolarHBondContact O-CB 3.32Å; G91-K94 PolarHBondContact O-N 3.5Å; A92-K94 VanDerWaalsContact C-N 3.33Å; A92-K94 PolarHBondContact O-N 3.24Å; K94-S97 WeakPolarHBondContact O-CB 3.36Å; K94-S97 PolarHBondContact O-N 3.09Å; K94-V98 WeakPolarHBondContact O-CG2 3.41Å; K94-V98 PolarHBondContact O-N 3.2Å; K94-V98 VanDerWaalsContact O-N 3.1Å
95A92.1Very high87.6Confident37 Ų3738.3 Ų38.331%0.30624%0.24SC..Hα-helixtrans-62.7-46.9178.900000111.9G91 A92 S97 V98 F99 I146G91-A95 PolarHBondContact O-N 3.22Å; A92-A95 PolarHBondContact O-N 2.94Å; A95-S97 VanDerWaalsContact C-N 3.32Å; A95-S97 PolarHBondContact O-N 3.22Å; A95-V98 PolarHBondContact O-N 3.09Å; A95-F99 WeakPolarHBondContact O-CD2 3.4Å; A95-F99 PolarHBondContact O-N 3.44Å; A95-I146 HydrophobicContact CB-CG2 4.09Å
96A93.7Very high88.7Confident0 Ų035.1 Ų35.10%023%0.227CC..Hα-helixtrans-58.3-43.5176.500000111.8L61 A92 V98 F99 V100 I146 F147L61-A96 HydrophobicContact CD2-CB 4.04Å; A92-A96 WeakPolarHBondContact O-CB 3.27Å; A92-A96 PolarHBondContact O-N 2.92Å; A96-V98 VanDerWaalsContact C-N 3.34Å; A96-V98 PolarHBondContact O-N 3.47Å; A96-F99 PolarHBondContact O-N 3.41Å; A96-V100 WeakPolarHBondContact O-CG2 3.37Å; A96-V100 PolarHBondContact O-N 2.99Å; A96-I146 HydrophobicContact CB-CB 4.35Å; A96-I146 HydrophobicContact CB-CG2 4.16Å; A96-F147 HydrophobicContact CB-CB 4.1Å; A96-F147 HydrophobicContact CB-CD2 4.36Å
97S92.9Very high90Very high0 Ų032 Ų320%020%0.195CC..Hα-helixtrans-58.7-43.3175.9-62.40000112.3L61 F93 K94 A95 L101L61-S97 VanDerWaalsContact C-OG 3.24Å; L61-S97 WeakPolarHBondContact CB-OG 3.25Å; L61-S97 PolarHBondContact O-OG 3.41Å; F93-S97 VanDerWaalsContact O-CB 3.3Å; F93-S97 WeakPolarHBondContact O-CB 3.38Å; F93-S97 PolarHBondContact O-N 3.26Å; F93-S97 PolarHBondContact O-OG 3.37Å; K94-S97 WeakPolarHBondContact O-CB 3.36Å; K94-S97 PolarHBondContact O-N 3.09Å; A95-S97 VanDerWaalsContact C-N 3.32Å; A95-S97 PolarHBondContact O-N 3.22Å; S97-L101 WeakPolarHBondContact O-CB 3.17Å; S97-L101 PolarHBondContact O-N 3.17Å
98V93.8Very high91.2Very high73 Ų7334.2 Ų34.244%0.44220%0.204SC..Hα-helixtrans-65.9-43.8179171.80000111.3K94 A95 A96 L101 L102K94-V98 WeakPolarHBondContact O-CG2 3.41Å; K94-V98 PolarHBondContact O-N 3.2Å; K94-V98 VanDerWaalsContact O-N 3.1Å; A95-V98 PolarHBondContact O-N 3.09Å; A96-V98 VanDerWaalsContact C-N 3.34Å; A96-V98 PolarHBondContact O-N 3.47Å; V98-L101 PolarHBondContact O-N 3.09Å; V98-L102 WeakPolarHBondContact O-CB 3.28Å; V98-L102 PolarHBondContact O-N 3.48Å
99F96.4Very high92.1Very high65 Ų6536.1 Ų36.129%0.28522%0.218SC..Hα-helixtrans-66-43.5178.2-76.3-64.1000112.3A95 A96 L102 S103 C139 L142 I146A95-F99 WeakPolarHBondContact O-CD2 3.4Å; A95-F99 PolarHBondContact O-N 3.44Å; A96-F99 PolarHBondContact O-N 3.41Å; F99-L102 PolarHBondContact O-N 3.29Å; F99-S103 PolarHBondContact O-N 3.42Å; F99-C139 WeakPolarHBondContact O-CB 3.41Å; F99-L142 HydrophobicContact CD1-CB 4.3Å; F99-L142 HydrophobicContact CD1-CD1 4.05Å; F99-L142 HydrophobicContact CD2-CB 4.29Å; F99-L142 HydrophobicContact CE1-CD1 3.78Å; F99-L142 HydrophobicContact CG-CB 4.13Å; F99-L142 HydrophobicContact CZ-CD1 4.17Å; F99-I146 HydrophobicContact CD2-CD1 3.54Å; F99-I146 HydrophobicContact CE2-CD1 3.48Å; F99-I146 VanDerWaalsContact CE2-CD1 3.48Å
100V95.9Very high93.1Very high0 Ų033.4 Ų33.40%020%0.2CC..Hα-helixtrans-67.2-37.7176.9-179.60000111.2V40 F41 W46 L61 A96 S103 M104 L140V40-V100 HydrophobicContact CG1-CG1 4.27Å; F41-V100 HydrophobicContact CB-CG1 4.19Å; F41-V100 HydrophobicContact CD2-CB 4.42Å; F41-V100 HydrophobicContact CD2-CG1 4.09Å; W46-V100 HydrophobicContact CH2-CG2 4.02Å; W46-V100 HydrophobicContact CZ2-CG2 4.36Å; L61-V100 HydrophobicContact CD1-CB 3.94Å; L61-V100 HydrophobicContact CD1-CG1 3.8Å; L61-V100 HydrophobicContact CD1-CG2 4.16Å; L61-V100 HydrophobicContact CD2-CB 4.48Å; L61-V100 HydrophobicContact CD2-CG2 4.01Å; A96-V100 WeakPolarHBondContact O-CG2 3.37Å; A96-V100 PolarHBondContact O-N 2.99Å; V100-S103 WeakPolarHBondContact O-CB 3.37Å; V100-S103 PolarHBondContact O-N 3.38Å; V100-M104 PolarHBondContact O-N 3.07Å; V100-L140 HydrophobicContact CG1-CD2 4.37Å
101L95.4Very high93.7Very high40 Ų4035.2 Ų35.221%0.20921%0.208CC..Hα-helixtrans-62.3-45.1172.7177.260.2000111.8F41 F82 S97 V98 S103 M104 V105F41-L101 HydrophobicContact CD2-CB 4.21Å; F41-L101 HydrophobicContact CE1-CD1 3.97Å; F41-L101 HydrophobicContact CE2-CB 3.62Å; F41-L101 HydrophobicContact CE2-CD1 4.18Å; F41-L101 HydrophobicContact CE2-CG 4.38Å; F41-L101 HydrophobicContact CZ-CB 4.01Å; F41-L101 HydrophobicContact CZ-CD1 3.77Å; F41-L101 HydrophobicContact CZ-CD2 4.43Å; F41-L101 HydrophobicContact CZ-CG 4.28Å; F82-L101 HydrophobicContact CE1-CD2 3.95Å; F82-L101 HydrophobicContact CE2-CD2 3.6Å; F82-L101 HydrophobicContact CZ-CD2 3.2Å; S97-L101 WeakPolarHBondContact O-CB 3.17Å; S97-L101 PolarHBondContact O-N 3.17Å; V98-L101 PolarHBondContact O-N 3.09Å; L101-S103 VanDerWaalsContact C-N 3.28Å; L101-S103 PolarHBondContact O-N 3.31Å; L101-M104 HydrophobicContact CD1-SD 4.47Å; L101-M104 WeakPolarHBondContact O-CB 3.49Å; L101-M104 PolarHBondContact O-N 3.46Å; L101-M104 VanDerWaalsContact O-N 3.11Å; L101-V105 HydrophobicContact CD1-CG2 4.06Å; L101-V105 HydrophobicContact CG-CG2 4.39Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.26Å
102L96.5Very high93.8Very high76 Ų7635.2 Ų35.240%0.39820%0.203SC..Hα-helixtrans-59.4-43177.6179.259.5000110.7V98 F99 M104 V105 L106V98-L102 WeakPolarHBondContact O-CB 3.28Å; V98-L102 PolarHBondContact O-N 3.48Å; F99-L102 PolarHBondContact O-N 3.29Å; L102-M104 PolarHBondContact O-N 2.99Å; L102-V105 PolarHBondContact O-N 3.26Å; L102-L106 HydrophobicContact CD1-CD1 4.2Å; L102-L106 HydrophobicContact CD1-CG 4.21Å; L102-L106 HydrophobicContact CG-CD1 3.98Å; L102-L106 HydrophobicContact CG-CG 4.45Å; L102-L106 WeakPolarHBondContact O-CB 3.47Å; L102-L106 WeakPolarHBondContact O-CD1 3.34Å; L102-L106 WeakPolarHBondContact O-CG 3.21Å; L102-L106 PolarHBondContact O-N 3.15Å
103S97.2Very high93.7Very high0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-54.8-50.6171.1154.10000112.1N37 F99 V100 L101 V105 L106 I107 C136 L140N37-S103 VanDerWaalsContact CG-OG 3.27Å; N37-S103 PolarHBondContact ND2-OG 3.45Å; N37-S103 PolarHBondContact OD1-OG 2.88Å; F99-S103 PolarHBondContact O-N 3.42Å; V100-S103 WeakPolarHBondContact O-CB 3.37Å; V100-S103 PolarHBondContact O-N 3.38Å; L101-S103 VanDerWaalsContact C-N 3.28Å; L101-S103 PolarHBondContact O-N 3.31Å; S103-V105 PolarHBondContact O-N 3.46Å; S103-L106 PolarHBondContact O-N 2.84Å; S103-I107 PolarHBondContact O-N 2.89Å; S103-C136 PolarHBondContact O-SG 3.41Å; S103-C136 VanDerWaalsContact O-SG 3.41Å; S103-C136 PolarHBondContact OG-SG 2.97Å; S103-L140 VanDerWaalsContact OG-CG 3.26Å; S103-L140 WeakPolarHBondContact OG-CG 3.4Å
104M96Very high93.3Very high31 Ų3137 Ų3715%0.15321%0.212CC..Hα-helixtrans-60.3-44.3-179.6178.1-85.1-177.100111.9N37 V38 V100 L101 L102 I107 L108N37-M104 WeakPolarHBondContact OD1-CA 3.37Å; N37-M104 PolarHBondContact OD1-N 3.44Å; V38-M104 HydrophobicContact CG2-CE 3.58Å; V38-M104 HydrophobicContact CG2-CG 4.06Å; V100-M104 PolarHBondContact O-N 3.07Å; L101-M104 HydrophobicContact CD1-SD 4.47Å; L101-M104 WeakPolarHBondContact O-CB 3.49Å; L101-M104 PolarHBondContact O-N 3.46Å; L101-M104 VanDerWaalsContact O-N 3.11Å; L102-M104 PolarHBondContact O-N 2.99Å; M104-I107 VanDerWaalsContact O-CG2 3.27Å; M104-I107 WeakPolarHBondContact O-CG2 3.34Å; M104-I107 PolarHBondContact O-N 3.5Å; M104-L108 HydrophobicContact CE-CD1 3.22Å; M104-L108 HydrophobicContact CE-CG 4.04Å; M104-L108 WeakPolarHBondContact O-CG 3.37Å; M104-L108 PolarHBondContact O-N 3Å; M104-L108 HydrophobicContact SD-CD1 3.78Å; M104-L108 HydrophobicContact SD-CG 4.31Å
105V96.6Very high92.7Very high69 Ų6937 Ų3742%0.41823%0.225SC..Hα-helixtrans-66.6-41.1177.7172.80000111.3L101 L102 S103 I107 L108 S109L101-V105 HydrophobicContact CD1-CG2 4.06Å; L101-V105 HydrophobicContact CG-CG2 4.39Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.26Å; L102-V105 PolarHBondContact O-N 3.26Å; S103-V105 PolarHBondContact O-N 3.46Å; V105-I107 PolarHBondContact O-N 3.33Å; V105-L108 PolarHBondContact O-N 3.33Å; V105-S109 VanDerWaalsContact O-CB 3.3Å; V105-S109 WeakPolarHBondContact O-CB 3.47Å; V105-S109 PolarHBondContact O-N 3.42Å; V105-S109 PolarHBondContact O-OG 2.99Å
106L96.1Very high91.7Very high27 Ų2739.5 Ų39.514%0.14123%0.233CC..Hα-helixtrans-62-42.8177.8-75.2168.3000111.8L102 S103 S109 C110 L135 C136L102-L106 HydrophobicContact CD1-CD1 4.2Å; L102-L106 HydrophobicContact CD1-CG 4.21Å; L102-L106 HydrophobicContact CG-CD1 3.98Å; L102-L106 HydrophobicContact CG-CG 4.45Å; L102-L106 WeakPolarHBondContact O-CB 3.47Å; L102-L106 WeakPolarHBondContact O-CD1 3.34Å; L102-L106 WeakPolarHBondContact O-CG 3.21Å; L102-L106 PolarHBondContact O-N 3.15Å; S103-L106 PolarHBondContact O-N 2.84Å; L106-S109 PolarHBondContact O-N 2.84Å; L106-C110 PolarHBondContact O-N 3.33Å; L106-L135 HydrophobicContact CD1-CB 4.11Å; L106-L135 HydrophobicContact CD1-CD2 3.68Å; L106-L135 HydrophobicContact CD1-CG 3.61Å; L106-L135 HydrophobicContact CD2-CD2 4.16Å; L106-C136 HydrophobicContact CB-CB 4.23Å
107I95.8Very high90.6Very high0 Ų041.9 Ų41.90%024%0.243CC..Hα-helixtrans-73.1-35.9-179.9-162.763.7000112.7T30 F33 A34 N37 S103 M104 V105 S109 C110 I111 Q133T30-I107 HydrophobicContact CG2-CD1 3.8Å; T30-I107 HydrophobicContact CG2-CG1 4.44Å; F33-I107 HydrophobicContact CD1-CD1 3.56Å; F33-I107 HydrophobicContact CD1-CG1 3.61Å; F33-I107 HydrophobicContact CE1-CB 4.41Å; F33-I107 HydrophobicContact CE1-CD1 3.81Å; F33-I107 HydrophobicContact CE1-CG1 3.91Å; A34-I107 HydrophobicContact CB-CG1 3.98Å; A34-I107 HydrophobicContact CB-CG2 4.01Å; N37-I107 HydrophobicContact CB-CG2 3.99Å; S103-I107 PolarHBondContact O-N 2.89Å; M104-I107 VanDerWaalsContact O-CG2 3.27Å; M104-I107 WeakPolarHBondContact O-CG2 3.34Å; M104-I107 PolarHBondContact O-N 3.5Å; V105-I107 PolarHBondContact O-N 3.33Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-C110 HydrophobicContact CD1-CB 4.23Å; I107-C110 WeakPolarHBondContact O-CB 3.42Å; I107-C110 PolarHBondContact O-N 2.73Å; I107-I111 PolarHBondContact O-N 3.18Å; I107-I111 VanDerWaalsContact O-N 3.09Å; I107-Q133 HydrophobicContact CD1-CG 4Å
108L95.3Very high89.3Confident78 Ų7850.8 Ų50.841%0.40828%0.282SS..Hα-helixtrans-63.6-40.8170.6-75-169.6000111.9A34 M104 V105 C110 I111 A112A34-L108 HydrophobicContact CB-CD2 4.41Å; M104-L108 HydrophobicContact CE-CD1 3.22Å; M104-L108 HydrophobicContact CE-CG 4.04Å; M104-L108 WeakPolarHBondContact O-CG 3.37Å; M104-L108 PolarHBondContact O-N 3Å; M104-L108 HydrophobicContact SD-CD1 3.78Å; M104-L108 HydrophobicContact SD-CG 4.31Å; V105-L108 PolarHBondContact O-N 3.33Å; L108-C110 VanDerWaalsContact C-N 3.29Å; L108-C110 PolarHBondContact O-N 2.98Å; L108-I111 PolarHBondContact O-N 2.95Å; L108-A112 PolarHBondContact O-N 3.05Å
109S93.4Very high88Confident49 Ų4955.8 Ų55.834%0.34330%0.299SS..Hα-helixtrans-62.5-39.2174.8-580000110.9V105 L106 I107 I111 A112 C113V105-S109 VanDerWaalsContact O-CB 3.3Å; V105-S109 WeakPolarHBondContact O-CB 3.47Å; V105-S109 PolarHBondContact O-N 3.42Å; V105-S109 PolarHBondContact O-OG 2.99Å; L106-S109 PolarHBondContact O-N 2.84Å; I107-S109 VanDerWaalsContact C-N 3.33Å; S109-I111 VanDerWaalsContact C-N 3.34Å; S109-I111 PolarHBondContact O-N 3.08Å; S109-A112 WeakPolarHBondContact O-CB 3.33Å; S109-A112 PolarHBondContact O-N 2.89Å; S109-C113 PolarHBondContact O-N 2.72Å; S109-C113 PolarHBondContact O-SG 3.4Å
110C92.9Very high87Confident0 Ų055.9 Ų55.90%031%0.306CS..Hα-helixtrans-59.1-42.7173.9-175.90000111.9L106 I107 L108 C113 M114 C129L106-C110 PolarHBondContact O-N 3.33Å; I107-C110 HydrophobicContact CD1-CB 4.23Å; I107-C110 WeakPolarHBondContact O-CB 3.42Å; I107-C110 PolarHBondContact O-N 2.73Å; L108-C110 VanDerWaalsContact C-N 3.29Å; L108-C110 PolarHBondContact O-N 2.98Å; C110-C113 WeakPolarHBondContact O-CB 3.25Å; C110-C113 PolarHBondContact O-N 3.07Å; C110-M114 WeakPolarHBondContact O-CG 3.49Å; C110-M114 PolarHBondContact O-N 3.22Å; C110-M114 VanDerWaalsContact O-N 3.11Å; C110-C129 VanDerWaalsContact SG-CB 3.54Å; C110-C129 VanDerWaalsContact SG-SG 3.62Å
111I92.1Very high86.1Confident52 Ų5261.4 Ų61.427%0.26734%0.336SS..Hα-helixtrans-63.1-43.7174.9-67.4169.6000110.7T30 I31 A34 I107 L108 S109 C113 M114 A115T30-I111 HydrophobicContact CG2-CG1 4.24Å; I31-I111 HydrophobicContact CG1-CD1 4.38Å; A34-I111 HydrophobicContact CB-CD1 3.29Å; A34-I111 HydrophobicContact CB-CG1 4.48Å; I107-I111 PolarHBondContact O-N 3.18Å; I107-I111 VanDerWaalsContact O-N 3.09Å; L108-I111 PolarHBondContact O-N 2.95Å; S109-I111 VanDerWaalsContact C-N 3.34Å; S109-I111 PolarHBondContact O-N 3.08Å; I111-C113 VanDerWaalsContact C-N 3.3Å; I111-C113 PolarHBondContact O-N 3.43Å; I111-M114 WeakPolarHBondContact O-CB 3.26Å; I111-M114 PolarHBondContact O-N 3.4Å; I111-A115 PolarHBondContact O-N 3.31Å
112A89.4Confident85.3Confident55 Ų5561.9 Ų61.946%0.45534%0.34SS..Hα-helixtrans-61.1-39.8175.900000111.7L108 S109 M114 A115 L116L108-A112 PolarHBondContact O-N 3.05Å; S109-A112 WeakPolarHBondContact O-CB 3.33Å; S109-A112 PolarHBondContact O-N 2.89Å; A112-M114 VanDerWaalsContact C-N 3.25Å; A112-M114 PolarHBondContact O-N 2.88Å; A112-A115 WeakPolarHBondContact O-CB 3.41Å; A112-A115 PolarHBondContact O-N 2.89Å; A112-L116 PolarHBondContact O-N 3.12Å
113C86Confident84.5Confident31 Ų3159.2 Ų59.221%0.20933%0.328CS..Hα-helixtrans-61.6-31.3173.5-68.40000112.7S109 C110 I111 L116S109-C113 PolarHBondContact O-N 2.72Å; S109-C113 PolarHBondContact O-SG 3.4Å; C110-C113 WeakPolarHBondContact O-CB 3.25Å; C110-C113 PolarHBondContact O-N 3.07Å; I111-C113 VanDerWaalsContact C-N 3.3Å; I111-C113 PolarHBondContact O-N 3.43Å; C113-L116 PolarHBondContact O-N 3.26Å
114M81.4Confident83.9Confident26 Ų2663 Ų6313%0.12835%0.351CS..Hα-helixtrans-66.5-36.5172.4-57.2-167.7-162.900112.1W26 A27 T30 C110 I111 A112 L116 F117W26-M114 HydrophobicContact CD2-CE 4.5Å; W26-M114 HydrophobicContact CE3-CE 3.91Å; W26-M114 HydrophobicContact CE3-SD 4.3Å; W26-M114 HydrophobicContact CH2-CE 3.24Å; W26-M114 HydrophobicContact CH2-CG 4.34Å; W26-M114 HydrophobicContact CH2-SD 4.12Å; W26-M114 HydrophobicContact CZ2-CE 3.88Å; W26-M114 HydrophobicContact CZ3-CE 3.24Å; W26-M114 HydrophobicContact CZ3-CG 4.16Å; W26-M114 HydrophobicContact CZ3-SD 3.61Å; A27-M114 HydrophobicContact CB-SD 3.95Å; T30-M114 HydrophobicContact CG2-CE 3.34Å; C110-M114 WeakPolarHBondContact O-CG 3.49Å; C110-M114 PolarHBondContact O-N 3.22Å; C110-M114 VanDerWaalsContact O-N 3.11Å; I111-M114 WeakPolarHBondContact O-CB 3.26Å; I111-M114 PolarHBondContact O-N 3.4Å; A112-M114 VanDerWaalsContact C-N 3.25Å; A112-M114 PolarHBondContact O-N 2.88Å; M114-L116 PolarHBondContact O-N 3.17Å; M114-F117 HydrophobicContact CB-CD2 4.03Å; M114-F117 HydrophobicContact CB-CE2 3.92Å; M114-F117 HydrophobicContact CG-CE2 4.04Å; M114-F117 WeakPolarHBondContact O-CB 3.25Å; M114-F117 WeakPolarHBondContact O-CD2 3.23Å; M114-F117 PolarHBondContact O-N 2.97Å
115A77.3Confident83.5Confident69 Ų6962.1 Ų62.157%0.5735%0.348SS*.Hα-helixtrans-63.9-22.7174.500000112.5I111 A112 F117I111-A115 PolarHBondContact O-N 3.31Å; A112-A115 WeakPolarHBondContact O-CB 3.41Å; A112-A115 PolarHBondContact O-N 2.89Å; A115-F117 VanDerWaalsContact C-N 3.33Å
116L71.8Confident83.1Confident88 Ų8860.5 Ų60.546%0.46133%0.334SS..G310 helixtrans-85.84.7178.5-60.4175.6000114.3A112 C113 M114 F118 F119 C120A112-L116 PolarHBondContact O-N 3.12Å; C113-L116 PolarHBondContact O-N 3.26Å; M114-L116 PolarHBondContact O-N 3.17Å; L116-F118 PolarHBondContact O-N 3Å; L116-F119 PolarHBondContact O-N 3.43Å; L116-C120 PolarHBondContact O-N 3.47Å
117F70.4Confident82.8Confident51 Ų5162.3 Ų62.322%0.22434%0.341CS..G310 helixtrans-54.4-20.2174.5-90.5-64.4000113.6M114 A115 T122 V125 Y126M114-F117 HydrophobicContact CB-CD2 4.03Å; M114-F117 HydrophobicContact CB-CE2 3.92Å; M114-F117 HydrophobicContact CG-CE2 4.04Å; M114-F117 WeakPolarHBondContact O-CB 3.25Å; M114-F117 WeakPolarHBondContact O-CD2 3.23Å; M114-F117 PolarHBondContact O-N 2.97Å; A115-F117 VanDerWaalsContact C-N 3.33Å; F117-T122 HydrophobicContact CD1-CG2 3.92Å; F117-T122 HydrophobicContact CE1-CG2 3.66Å; F117-V125 HydrophobicContact CD1-CB 3.99Å; F117-V125 HydrophobicContact CD1-CG1 3.99Å; F117-V125 HydrophobicContact CD1-CG2 4.23Å; F117-V125 HydrophobicContact CD2-CG1 4.38Å; F117-V125 HydrophobicContact CE1-CB 3.55Å; F117-V125 HydrophobicContact CE1-CG1 3.55Å; F117-V125 HydrophobicContact CE1-CG2 4.29Å; F117-V125 HydrophobicContact CE2-CG1 3.94Å; F117-V125 HydrophobicContact CG-CG1 4.36Å; F117-V125 HydrophobicContact CZ-CB 3.99Å; F117-V125 HydrophobicContact CZ-CG1 3.49Å; F117-V125 VanDerWaalsContact CZ-CG1 3.49Å; F117-Y126 HydrophobicContact CE1-CD2 4.21Å; F117-Y126 HydrophobicContact CE1-CE1 4.4Å; F117-Y126 AromaticContact CE1-CE2 3.99Å; F117-Y126 HydrophobicContact CE1-CE2 3.99Å; F117-Y126 HydrophobicContact CE1-CG 4.5Å; F117-Y126 HydrophobicContact CE2-CE1 4.5Å; F117-Y126 AromaticContact CZ-CD1 3.98Å; F117-Y126 HydrophobicContact CZ-CD1 3.98Å; F117-Y126 HydrophobicContact CZ-CD2 4.36Å; F117-Y126 AromaticContact CZ-CE1 3.68Å; F117-Y126 HydrophobicContact CZ-CE1 3.68Å; F117-Y126 HydrophobicContact CZ-CE2 4.09Å; F117-Y126 HydrophobicContact CZ-CG 4.29Å; F117-Y126 AromaticContact CZ-CZ 3.72Å
118F66.4Low82.5Confident186 Ų18665.1 Ų65.182%0.81636%0.358SS*.G310 helixtrans-73.3-24.1177.5-68-76.4000114.4L116L116-F118 PolarHBondContact O-N 3Å
119F65.6Low82.4Confident179 Ų17961.4 Ų61.479%0.78534%0.339SS*.THydrogen-bonded Turntrans-112.6-22.6-172.3-62.6-75.4000113.7L116L116-F119 PolarHBondContact O-N 3.43Å
120C74.9Confident82.4Confident66 Ų6659 Ų5945%0.44632%0.322SS..SBendtrans-112.5152.8-174.5-68.10000112L116 T122 V125L116-C120 PolarHBondContact O-N 3.47Å; C120-T122 PolarHBondContact O-N 2.96Å; C120-T122 VanDerWaalsContact O-N 3.14Å; C120-V125 HydrophobicContact CB-CG2 3.62Å
121N77.5Confident82.5Confident116 Ų11666.8 Ų66.862%0.6235%0.352SS*.  trans-56.2120.2172.7-81.8-29.5000110.8S123 T124 V125N121-S123 PolarHBondContact O-N 3.27Å; N121-S123 VanDerWaalsContact O-N 3.13Å; N121-T124 WeakPolarHBondContact O-CB 3.45Å; N121-T124 PolarHBondContact O-N 3.36Å; N121-V125 PolarHBondContact O-N 3.3Å; N121-V125 VanDerWaalsContact O-N 3.11Å
122T78.3Confident82.6Confident50 Ų5066.6 Ų66.631%0.30735%0.35SS..Hα-helixtrans-51.3-39.2-177.8-52.90000113.1F117 C120 V125 Y126 Q202F117-T122 HydrophobicContact CD1-CG2 3.92Å; F117-T122 HydrophobicContact CE1-CG2 3.66Å; C120-T122 PolarHBondContact O-N 2.96Å; C120-T122 VanDerWaalsContact O-N 3.14Å; T122-V125 PolarHBondContact O-N 3.46Å; T122-Y126 HydrophobicContact CG2-CD2 3.85Å; T122-Y126 HydrophobicContact CG2-CE2 3.43Å; T122-Y126 VanDerWaalsContact CG2-CE2 3.43Å; T122-Y126 WeakPolarHBondContact O-CD2 3.3Å; T122-Y126 PolarHBondContact O-N 3.37Å; T122-Y126 VanDerWaalsContact O-N 3.09Å; T122-Q202 HydrophobicContact CG2-CG 4.2Å
123S80.4Confident82.9Confident20 Ų2064 Ų6414%0.1433%0.329CS..Hα-helixtrans-62.1-44.8176.6168.70000112.7N121 Y126 K127 G199 T203N121-S123 PolarHBondContact O-N 3.27Å; N121-S123 VanDerWaalsContact O-N 3.13Å; S123-Y126 PolarHBondContact O-N 3.39Å; S123-K127 PolarHBondContact O-N 3.06Å; S123-K127 VanDerWaalsContact O-N 3.13Å; S123-G199 PolarHBondContact OG-O 2.9Å; S123-T203 PolarHBondContact OG-OG1 3.42Å
124T83.9Confident83.4Confident80 Ų8065 Ų6549%0.49133%0.332SS..Hα-helixtrans-65.3-42.9178.9-51.20000110.6N121 Y126 K127 T128N121-T124 WeakPolarHBondContact O-CB 3.45Å; N121-T124 PolarHBondContact O-N 3.36Å; T124-Y126 PolarHBondContact O-N 3.48Å; T124-K127 PolarHBondContact O-N 2.95Å; T124-T128 WeakPolarHBondContact O-CB 3.45Å; T124-T128 PolarHBondContact O-N 2.98Å; T124-T128 PolarHBondContact O-OG1 3.5Å; T124-T128 VanDerWaalsContact O-OG1 3.07Å
125V87.5Confident84.1Confident12 Ų1267.8 Ų67.87%0.07335%0.347CS..Hα-helixtrans-60-48.2178.2-1790000110.9F117 C120 N121 T122 K127 T128 C129F117-V125 HydrophobicContact CD1-CB 3.99Å; F117-V125 HydrophobicContact CD1-CG1 3.99Å; F117-V125 HydrophobicContact CD1-CG2 4.23Å; F117-V125 HydrophobicContact CD2-CG1 4.38Å; F117-V125 HydrophobicContact CE1-CB 3.55Å; F117-V125 HydrophobicContact CE1-CG1 3.55Å; F117-V125 HydrophobicContact CE1-CG2 4.29Å; F117-V125 HydrophobicContact CE2-CG1 3.94Å; F117-V125 HydrophobicContact CG-CG1 4.36Å; F117-V125 HydrophobicContact CZ-CB 3.99Å; F117-V125 HydrophobicContact CZ-CG1 3.49Å; F117-V125 VanDerWaalsContact CZ-CG1 3.49Å; C120-V125 HydrophobicContact CB-CG2 3.62Å; N121-V125 PolarHBondContact O-N 3.3Å; N121-V125 VanDerWaalsContact O-N 3.11Å; T122-V125 PolarHBondContact O-N 3.46Å; V125-K127 PolarHBondContact O-N 2.9Å; V125-T128 PolarHBondContact O-N 3.12Å; V125-C129 WeakPolarHBondContact O-CB 3.2Å; V125-C129 PolarHBondContact O-N 3.4Å; V125-C129 PolarHBondContact O-SG 2.86Å
126Y88.3Confident85Confident36 Ų3664.5 Ų64.514%0.14132%0.32CS..Hα-helixtrans-60.1-43.1177.8-78.3-57.8000112.7W26 F117 T122 S123 T124 C129 A130 L198W26-Y126 HydrophobicContact CE3-CD1 4.35Å; W26-Y126 AromaticContact CE3-CE1 3.86Å; W26-Y126 HydrophobicContact CE3-CE1 3.86Å; W26-Y126 HydrophobicContact CH2-CD1 4.07Å; W26-Y126 HydrophobicContact CH2-CE1 4.26Å; W26-Y126 AromaticContact CZ3-CD1 3.93Å; W26-Y126 HydrophobicContact CZ3-CD1 3.93Å; W26-Y126 AromaticContact CZ3-CE1 3.64Å; W26-Y126 HydrophobicContact CZ3-CE1 3.64Å; F117-Y126 HydrophobicContact CE1-CD2 4.21Å; F117-Y126 HydrophobicContact CE1-CE1 4.4Å; F117-Y126 AromaticContact CE1-CE2 3.99Å; F117-Y126 HydrophobicContact CE1-CE2 3.99Å; F117-Y126 HydrophobicContact CE1-CG 4.5Å; F117-Y126 HydrophobicContact CE2-CE1 4.5Å; F117-Y126 AromaticContact CZ-CD1 3.98Å; F117-Y126 HydrophobicContact CZ-CD1 3.98Å; F117-Y126 HydrophobicContact CZ-CD2 4.36Å; F117-Y126 AromaticContact CZ-CE1 3.68Å; F117-Y126 HydrophobicContact CZ-CE1 3.68Å; F117-Y126 HydrophobicContact CZ-CE2 4.09Å; F117-Y126 HydrophobicContact CZ-CG 4.29Å; F117-Y126 AromaticContact CZ-CZ 3.72Å; T122-Y126 HydrophobicContact CG2-CD2 3.85Å; T122-Y126 HydrophobicContact CG2-CE2 3.43Å; T122-Y126 VanDerWaalsContact CG2-CE2 3.43Å; T122-Y126 WeakPolarHBondContact O-CD2 3.3Å; T122-Y126 PolarHBondContact O-N 3.37Å; T122-Y126 VanDerWaalsContact O-N 3.09Å; S123-Y126 PolarHBondContact O-N 3.39Å; T124-Y126 PolarHBondContact O-N 3.48Å; Y126-C129 PolarHBondContact O-N 2.92Å; Y126-A130 WeakPolarHBondContact O-CB 3.45Å; Y126-A130 PolarHBondContact O-N 3.32Å; Y126-L198 HydrophobicContact CD1-CB 4.31Å; Y126-L198 HydrophobicContact CE1-CD1 4.23Å; Y126-L198 HydrophobicContact CG-CB 4.35Å
127K89.6Confident86.2Confident64 Ų6460.4 Ų60.428%0.27830%0.299SS..Hα-helixtrans-65.5-42.9177.7-75.2174173.4170.90111.9S123 T124 V125 A130 W131 N200 T203S123-K127 PolarHBondContact O-N 3.06Å; S123-K127 VanDerWaalsContact O-N 3.13Å; T124-K127 PolarHBondContact O-N 2.95Å; V125-K127 PolarHBondContact O-N 2.9Å; K127-A130 WeakPolarHBondContact O-CB 3.26Å; K127-A130 PolarHBondContact O-N 3.3Å; K127-W131 PolarHBondContact O-N 3.43Å; K127-W131 VanDerWaalsContact O-N 3.15Å; K127-N200 WeakPolarHBondContact CE-OD1 3.38Å; K127-T203 WeakPolarHBondContact CE-OG1 3.37Å; K127-T203 PolarHBondContact NZ-OG1 3.27Å
128T90.9Very high87.5Confident59 Ų5961.4 Ų61.436%0.36231%0.309SS..Hα-helixtrans-63.1-46.9176.3-63.10000111.2T124 V125 A130 W131 M132T124-T128 WeakPolarHBondContact O-CB 3.45Å; T124-T128 PolarHBondContact O-N 2.98Å; T124-T128 PolarHBondContact O-OG1 3.5Å; T124-T128 VanDerWaalsContact O-OG1 3.07Å; V125-T128 PolarHBondContact O-N 3.12Å; T128-A130 VanDerWaalsContact C-N 3.28Å; T128-A130 PolarHBondContact O-N 3.02Å; T128-W131 PolarHBondContact O-N 3.25Å; T128-M132 HydrophobicContact CG2-CE 3.6Å; T128-M132 HydrophobicContact CG2-SD 4.11Å; T128-M132 WeakPolarHBondContact O-CG 3.16Å; T128-M132 PolarHBondContact O-N 3.24Å
129C92.9Very high88.9Confident0 Ų052.8 Ų52.80%027%0.272CS..Hα-helixtrans-60.2-38.4175.5-69.70000111.8W26 C110 V125 Y126 M132 Q133W26-C129 HydrophobicContact CH2-CB 3.72Å; W26-C129 HydrophobicContact CZ2-CB 3.84Å; C110-C129 VanDerWaalsContact SG-CB 3.54Å; C110-C129 VanDerWaalsContact SG-SG 3.62Å; V125-C129 WeakPolarHBondContact O-CB 3.2Å; V125-C129 PolarHBondContact O-N 3.4Å; V125-C129 PolarHBondContact O-SG 2.86Å; Y126-C129 PolarHBondContact O-N 2.92Å; C129-M132 PolarHBondContact O-N 3.48Å; C129-Q133 WeakPolarHBondContact O-CB 3.44Å; C129-Q133 VanDerWaalsContact O-CG 3.24Å; C129-Q133 WeakPolarHBondContact O-CG 3.21Å; C129-Q133 PolarHBondContact O-N 3.41Å
130A93.7Very high90.4Very high0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-59.4-48.4175.900000112Y126 K127 T128 M132 Q133 L134 S192 A195 F196Y126-A130 WeakPolarHBondContact O-CB 3.45Å; Y126-A130 PolarHBondContact O-N 3.32Å; K127-A130 WeakPolarHBondContact O-CB 3.26Å; K127-A130 PolarHBondContact O-N 3.3Å; T128-A130 VanDerWaalsContact C-N 3.28Å; T128-A130 PolarHBondContact O-N 3.02Å; A130-M132 PolarHBondContact O-N 3.45Å; A130-Q133 PolarHBondContact O-N 2.87Å; A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 PolarHBondContact O-N 3.43Å; A130-S192 PolarHBondContact O-OG 3.22Å; A130-A195 HydrophobicContact CB-CB 3.45Å; A130-A195 VanDerWaalsContact CB-CB 3.45Å; A130-F196 HydrophobicContact CB-CB 4.46Å; A130-F196 HydrophobicContact CB-CD1 3.99Å; A130-F196 HydrophobicContact CB-CD2 3.61Å; A130-F196 HydrophobicContact CB-CE1 4.06Å; A130-F196 HydrophobicContact CB-CE2 3.67Å; A130-F196 HydrophobicContact CB-CG 3.76Å; A130-F196 HydrophobicContact CB-CZ 3.9Å
131W94.1Very high91.5Very high162 Ų16244 Ų4461%0.61423%0.23SC*.Hα-helixtrans-64-39.4176.4-75.2111000112.7K127 T128 L134 L135 F196K127-W131 PolarHBondContact O-N 3.43Å; K127-W131 VanDerWaalsContact O-N 3.15Å; T128-W131 PolarHBondContact O-N 3.25Å; W131-L134 HydrophobicContact CE3-CD2 4.03Å; W131-L134 HydrophobicContact CZ3-CD2 3.95Å; W131-L134 PolarHBondContact O-N 2.9Å; W131-L135 WeakPolarHBondContact O-CB 3.36Å; W131-L135 PolarHBondContact O-N 3.15Å; W131-F196 HydrophobicContact CD2-CE1 4.4Å; W131-F196 AromaticContact CD2-CZ 3.73Å; W131-F196 HydrophobicContact CD2-CZ 3.73Å; W131-F196 AromaticContact CE2-CE1 3.83Å; W131-F196 AromaticContact CE2-CZ 3.56Å; W131-F196 HydrophobicContact CE3-CZ 4.21Å; W131-F196 HydrophobicContact CG-CZ 4.07Å; W131-F196 HydrophobicContact CH2-CZ 4.38Å; W131-F196 HydrophobicContact CZ2-CE1 4.16Å; W131-F196 AromaticContact CZ2-CZ 3.92Å; W131-F196 HydrophobicContact CZ2-CZ 3.92Å; W131-F196 AromaticContact NE1-CE1 3.69Å; W131-F196 AromaticContact NE1-CZ 3.79Å
132M94.3Very high92.4Very high48 Ų4841.7 Ų41.724%0.23622%0.218CC..Hα-helixtrans-64.1-42.7175.7-70.8175.817400111.8T128 C129 A130 L135 C136T128-M132 HydrophobicContact CG2-CE 3.6Å; T128-M132 HydrophobicContact CG2-SD 4.11Å; T128-M132 WeakPolarHBondContact O-CG 3.16Å; T128-M132 PolarHBondContact O-N 3.24Å; C129-M132 PolarHBondContact O-N 3.48Å; A130-M132 PolarHBondContact O-N 3.45Å; M132-L135 PolarHBondContact O-N 3.11Å; M132-C136 VanDerWaalsContact O-CB 3.25Å; M132-C136 WeakPolarHBondContact O-CB 3.32Å; M132-C136 PolarHBondContact O-N 3.34Å
133Q95.9Very high93.2Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-66.4-39.6176.8-74172.9-22.400111.6W26 T30 I107 C129 A130 C136 G137 L191W26-Q133 VanDerWaalsContact CZ2-NE2 3.25Å; W26-Q133 VanDerWaalsContact NE1-OE1 3.12Å; T30-Q133 PolarHBondContact OG1-NE2 3.42Å; I107-Q133 HydrophobicContact CD1-CG 4Å; C129-Q133 WeakPolarHBondContact O-CB 3.44Å; C129-Q133 VanDerWaalsContact O-CG 3.24Å; C129-Q133 WeakPolarHBondContact O-CG 3.21Å; C129-Q133 PolarHBondContact O-N 3.41Å; A130-Q133 PolarHBondContact O-N 2.87Å; Q133-C136 WeakPolarHBondContact O-CB 3.34Å; Q133-C136 PolarHBondContact O-N 2.89Å; Q133-G137 PolarHBondContact O-N 2.92Å; Q133-L191 PolarHBondContact OE1-O 3.43Å
134L95.9Very high93.9Very high53 Ų5338.8 Ų38.828%0.27720%0.199SC..Hα-helixtrans-62.3-48.4174.1-172.862.4000111.3A130 W131 C136 G137 V138 L189A130-L134 WeakPolarHBondContact O-CB 3.34Å; A130-L134 PolarHBondContact O-N 3.43Å; W131-L134 HydrophobicContact CE3-CD2 4.03Å; W131-L134 HydrophobicContact CZ3-CD2 3.95Å; W131-L134 PolarHBondContact O-N 2.9Å; L134-C136 VanDerWaalsContact C-N 3.31Å; L134-C136 PolarHBondContact O-N 3.14Å; L134-G137 PolarHBondContact O-N 3.35Å; L134-V138 WeakPolarHBondContact O-CG2 3.27Å; L134-V138 PolarHBondContact O-N 2.89Å; L134-L189 HydrophobicContact CD1-CD2 4.3Å
135L96.4Very high94.4Very high84 Ų8440.4 Ų40.444%0.4420%0.203SC..Hα-helixtrans-62.6-40.4178.1-176.961.4000111.3L106 W131 M132 G137 V138 C139L106-L135 HydrophobicContact CD1-CB 4.11Å; L106-L135 HydrophobicContact CD1-CD2 3.68Å; L106-L135 HydrophobicContact CD1-CG 3.61Å; L106-L135 HydrophobicContact CD2-CD2 4.16Å; W131-L135 WeakPolarHBondContact O-CB 3.36Å; W131-L135 PolarHBondContact O-N 3.15Å; M132-L135 PolarHBondContact O-N 3.11Å; L135-G137 PolarHBondContact O-N 2.97Å; L135-V138 PolarHBondContact O-N 3.3Å; L135-C139 PolarHBondContact O-N 3.41Å; L135-C139 PolarHBondContact O-SG 3.28Å
136C96.6Very high94.8Very high0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-55.7-49172.6174.30000111.7F33 S103 L106 M132 Q133 L134 V138 C139 L140F33-C136 VanDerWaalsContact CE1-SG 3.56Å; S103-C136 PolarHBondContact O-SG 3.41Å; S103-C136 VanDerWaalsContact O-SG 3.41Å; S103-C136 PolarHBondContact OG-SG 2.97Å; L106-C136 HydrophobicContact CB-CB 4.23Å; M132-C136 VanDerWaalsContact O-CB 3.25Å; M132-C136 WeakPolarHBondContact O-CB 3.32Å; M132-C136 PolarHBondContact O-N 3.34Å; Q133-C136 WeakPolarHBondContact O-CB 3.34Å; Q133-C136 PolarHBondContact O-N 2.89Å; L134-C136 VanDerWaalsContact C-N 3.31Å; L134-C136 PolarHBondContact O-N 3.14Å; C136-V138 PolarHBondContact O-N 2.99Å; C136-C139 PolarHBondContact O-N 3.25Å; C136-L140 PolarHBondContact O-N 2.98Å
137G96.5Very high95Very high2 Ų240 Ų402%0.02120%0.202CC..Hα-helixtrans-58.7-43.6175.200000113.1Q133 L134 L135 C139 L140 V141Q133-G137 PolarHBondContact O-N 2.92Å; L134-G137 PolarHBondContact O-N 3.35Å; L135-G137 PolarHBondContact O-N 2.97Å; G137-C139 PolarHBondContact O-N 3Å; G137-L140 PolarHBondContact O-N 3.39Å; G137-V141 WeakPolarHBondContact O-CG2 3.22Å; G137-V141 PolarHBondContact O-N 2.78Å
138V97.4Very high95.1Very high73 Ų7337.2 Ų37.244%0.44219%0.19SC..Hα-helixtrans-61.5-44.4175.8173.10000111.3L134 L135 C136 L140 V141 L142L134-V138 WeakPolarHBondContact O-CG2 3.27Å; L134-V138 PolarHBondContact O-N 2.89Å; L135-V138 PolarHBondContact O-N 3.3Å; C136-V138 PolarHBondContact O-N 2.99Å; V138-L140 PolarHBondContact O-N 3.4Å; V138-V141 PolarHBondContact O-N 2.92Å; V138-L142 HydrophobicContact CG1-CD1 4.22Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 3.44Å
139C97.3Very high95.1Very high5 Ų537 Ų373%0.03419%0.187CC..Hα-helixtrans-62.8-40.2177.6-67.90000112.3F99 L135 C136 G137 L142 G143F99-C139 WeakPolarHBondContact O-CB 3.41Å; L135-C139 PolarHBondContact O-N 3.41Å; L135-C139 PolarHBondContact O-SG 3.28Å; C136-C139 PolarHBondContact O-N 3.25Å; G137-C139 PolarHBondContact O-N 3Å; C139-L142 PolarHBondContact O-N 3.48Å; C139-G143 PolarHBondContact O-N 3.49Å
140L96.2Very high94.8Very high2 Ų237 Ų371%0.0119%0.187CC..Hα-helixtrans-63.1-43.8173.2-77.7165000112.4F33 V100 S103 C136 G137 V138 L142 G143 C144 I185F33-L140 HydrophobicContact CE2-CD1 3.91Å; F33-L140 HydrophobicContact CZ-CD1 3.59Å; V100-L140 HydrophobicContact CG1-CD2 4.37Å; S103-L140 VanDerWaalsContact OG-CG 3.26Å; S103-L140 WeakPolarHBondContact OG-CG 3.4Å; C136-L140 PolarHBondContact O-N 2.98Å; G137-L140 PolarHBondContact O-N 3.39Å; V138-L140 PolarHBondContact O-N 3.4Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.47Å; L140-G143 PolarHBondContact O-N 2.98Å; L140-C144 WeakPolarHBondContact O-CB 3.31Å; L140-C144 PolarHBondContact O-N 2.82Å; L140-C144 PolarHBondContact O-SG 3.25Å; L140-C144 VanDerWaalsContact O-SG 3.38Å; L140-I185 HydrophobicContact CB-CD1 4.37Å; L140-I185 HydrophobicContact CB-CG1 3.69Å
141V97.4Very high94.7Very high58 Ų5837.7 Ų37.735%0.35219%0.19SC..Hα-helixtrans-57.1-48.4176170.20000110.2G137 V138 G143 C144 M145 I185G137-V141 WeakPolarHBondContact O-CG2 3.22Å; G137-V141 PolarHBondContact O-N 2.78Å; V138-V141 PolarHBondContact O-N 2.92Å; V141-G143 PolarHBondContact O-N 3.48Å; V141-C144 PolarHBondContact O-N 2.9Å; V141-M145 HydrophobicContact CG1-CG 4.28Å; V141-M145 WeakPolarHBondContact O-CB 2.93Å; V141-M145 WeakPolarHBondContact O-CG 3.49Å; V141-M145 PolarHBondContact O-N 3.3Å; V141-I185 HydrophobicContact CB-CD1 4.4Å; V141-I185 HydrophobicContact CG2-CB 4.37Å; V141-I185 HydrophobicContact CG2-CD1 3.77Å; V141-I185 HydrophobicContact CG2-CG1 3.93Å; V141-I185 HydrophobicContact CG2-CG2 3.49Å; V141-I185 VanDerWaalsContact CG2-CG2 3.49Å
142L96.6Very high94.4Very high67 Ų6733 Ų3335%0.35118%0.177SC..Hα-helixtrans-61.4-44.8177.4-68.4175000111.5F99 V138 C139 L140 C144 M145 I146F99-L142 HydrophobicContact CD1-CB 4.3Å; F99-L142 HydrophobicContact CD1-CD1 4.05Å; F99-L142 HydrophobicContact CD2-CB 4.29Å; F99-L142 HydrophobicContact CE1-CD1 3.78Å; F99-L142 HydrophobicContact CG-CB 4.13Å; F99-L142 HydrophobicContact CZ-CD1 4.17Å; V138-L142 HydrophobicContact CG1-CD1 4.22Å; V138-L142 WeakPolarHBondContact O-CG 3.44Å; V138-L142 PolarHBondContact O-N 3.44Å; C139-L142 PolarHBondContact O-N 3.48Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 3.47Å; L142-C144 PolarHBondContact O-N 3.28Å; L142-M145 PolarHBondContact O-N 2.93Å; L142-I146 HydrophobicContact CB-CD1 4.31Å; L142-I146 VanDerWaalsContact O-CB 3.31Å; L142-I146 WeakPolarHBondContact O-CB 3.33Å; L142-I146 WeakPolarHBondContact O-CD1 3.4Å; L142-I146 WeakPolarHBondContact O-CG1 3.18Å; L142-I146 PolarHBondContact O-N 3.43Å
143G95.3Very high94.1Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-55.8-49.6175.100000112.6C139 L140 V141 M145 I146 F147C139-G143 PolarHBondContact O-N 3.49Å; L140-G143 PolarHBondContact O-N 2.98Å; V141-G143 PolarHBondContact O-N 3.48Å; G143-M145 VanDerWaalsContact C-N 3.34Å; G143-M145 PolarHBondContact O-N 3.33Å; G143-I146 PolarHBondContact O-N 3.41Å; G143-F147 VanDerWaalsContact O-CB 3.24Å; G143-F147 WeakPolarHBondContact O-CB 3.38Å; G143-F147 PolarHBondContact O-N 3.2Å
144C95.1Very high93.6Very high9 Ų938.7 Ų38.76%0.06120%0.204CC..Hα-helixtrans-67-30.7178.4-68.40000113.4L140 V141 L142 P148 Y178 I185L140-C144 WeakPolarHBondContact O-CB 3.31Å; L140-C144 PolarHBondContact O-N 2.82Å; L140-C144 PolarHBondContact O-SG 3.25Å; L140-C144 VanDerWaalsContact O-SG 3.38Å; V141-C144 PolarHBondContact O-N 2.9Å; L142-C144 PolarHBondContact O-N 3.28Å; C144-P148 WeakPolarHBondContact O-CD 3.43Å; C144-P148 WeakPolarHBondContact O-CG 3.45Å; C144-Y178 HydrophobicContact CB-CE2 4.42Å; C144-Y178 PolarHBondContact O-OH 2.84Å; C144-I185 HydrophobicContact CB-CD1 4.4Å
145M95.3Very high93.1Very high115 Ų11537.8 Ų37.857%0.56720%0.201SC*.Hα-helixtrans-80.4-33.3178.6-71.2-71.6-85.800112.7V141 L142 G143 Y167V141-M145 HydrophobicContact CG1-CG 4.28Å; V141-M145 WeakPolarHBondContact O-CB 2.93Å; V141-M145 WeakPolarHBondContact O-CG 3.49Å; V141-M145 PolarHBondContact O-N 3.3Å; L142-M145 PolarHBondContact O-N 2.93Å; G143-M145 VanDerWaalsContact C-N 3.34Å; G143-M145 PolarHBondContact O-N 3.33Å; M145-Y167 PolarHBondContact O-OH 2.96Å
146I94.6Very high92.6Very high40 Ų4034 Ų3421%0.20518%0.181CC..Hα-helixtrans-80.5-34.8179.9-66.5165.7000111A92 A95 A96 F99 L142 G143 D149A92-I146 HydrophobicContact CB-CG2 4.13Å; A92-I146 VanDerWaalsContact O-CG2 3.29Å; A92-I146 WeakPolarHBondContact O-CG2 3.49Å; A95-I146 HydrophobicContact CB-CG2 4.09Å; A96-I146 HydrophobicContact CB-CB 4.35Å; A96-I146 HydrophobicContact CB-CG2 4.16Å; F99-I146 HydrophobicContact CD2-CD1 3.54Å; F99-I146 HydrophobicContact CE2-CD1 3.48Å; F99-I146 VanDerWaalsContact CE2-CD1 3.48Å; L142-I146 HydrophobicContact CB-CD1 4.31Å; L142-I146 VanDerWaalsContact O-CB 3.31Å; L142-I146 WeakPolarHBondContact O-CB 3.33Å; L142-I146 WeakPolarHBondContact O-CD1 3.4Å; L142-I146 WeakPolarHBondContact O-CG1 3.18Å; L142-I146 PolarHBondContact O-N 3.43Å; G143-I146 PolarHBondContact O-N 3.41Å; I146-D149 VanDerWaalsContact O-CB 3.28Å; I146-D149 WeakPolarHBondContact O-CB 3.48Å; I146-D149 PolarHBondContact O-N 2.83Å
147F92.4Very high92.3Very high0 Ų038.4 Ų38.40%020%0.198CC..G310 helixtrans-55.3-42.8-177.2-175.2-97.5000113.5W46 I47 L61 F93 A96 G143 D149 G150 W151 Y178W46-F147 HydrophobicContact CB-CE1 3.79Å; W46-F147 HydrophobicContact CB-CE2 4.43Å; W46-F147 HydrophobicContact CB-CZ 3.59Å; W46-F147 HydrophobicContact CD2-CE1 4.35Å; W46-F147 HydrophobicContact CD2-CE2 4.38Å; W46-F147 HydrophobicContact CD2-CZ 4.24Å; W46-F147 HydrophobicContact CE3-CB 4.33Å; W46-F147 AromaticContact CE3-CD1 3.58Å; W46-F147 HydrophobicContact CE3-CD1 3.58Å; W46-F147 AromaticContact CE3-CD2 3.83Å; W46-F147 HydrophobicContact CE3-CD2 3.83Å; W46-F147 AromaticContact CE3-CE1 3.67Å; W46-F147 HydrophobicContact CE3-CE1 3.67Å; W46-F147 AromaticContact CE3-CE2 3.96Å; W46-F147 HydrophobicContact CE3-CE2 3.96Å; W46-F147 AromaticContact CE3-CG 3.65Å; W46-F147 HydrophobicContact CE3-CG 3.65Å; W46-F147 AromaticContact CE3-CZ 3.88Å; W46-F147 HydrophobicContact CE3-CZ 3.88Å; W46-F147 HydrophobicContact CG-CE1 4.45Å; W46-F147 HydrophobicContact CG-CZ 4.16Å; W46-F147 HydrophobicContact CZ3-CB 4.08Å; W46-F147 HydrophobicContact CZ3-CD1 4.15Å; W46-F147 HydrophobicContact CZ3-CD2 4.21Å; W46-F147 AromaticContact CZ3-CG 3.9Å; W46-F147 HydrophobicContact CZ3-CG 3.9Å; I47-F147 HydrophobicContact CD1-CD1 4.26Å; I47-F147 HydrophobicContact CD1-CE1 3.41Å; I47-F147 VanDerWaalsContact CD1-CE1 3.41Å; I47-F147 HydrophobicContact CD1-CZ 4.14Å; I47-F147 HydrophobicContact CG1-CE1 3.89Å; L61-F147 HydrophobicContact CD2-CD2 3.99Å; L61-F147 HydrophobicContact CD2-CE2 4.38Å; F93-F147 AromaticContact CD1-CD2 3.47Å; F93-F147 HydrophobicContact CD1-CD2 3.47Å; F93-F147 VanDerWaalsContact CD1-CD2 3.47Å; F93-F147 AromaticContact CD1-CE2 3.52Å; F93-F147 HydrophobicContact CD1-CE2 3.52Å; F93-F147 HydrophobicContact CD1-CG 4.29Å; F93-F147 HydrophobicContact CD1-CZ 4.4Å; F93-F147 HydrophobicContact CE1-CD1 4.47Å; F93-F147 AromaticContact CE1-CD2 3.6Å; F93-F147 HydrophobicContact CE1-CD2 3.6Å; F93-F147 HydrophobicContact CE1-CE1 4.41Å; F93-F147 AromaticContact CE1-CE2 3.49Å; F93-F147 HydrophobicContact CE1-CE2 3.49Å; F93-F147 VanDerWaalsContact CE1-CE2 3.49Å; F93-F147 HydrophobicContact CE1-CG 4.1Å; F93-F147 AromaticContact CE1-CZ 3.93Å; F93-F147 HydrophobicContact CE1-CZ 3.93Å; F93-F147 VanDerWaalsContact CE1-O 3.24Å; F93-F147 WeakPolarHBondContact CE1-O 3.37Å; A96-F147 HydrophobicContact CB-CB 4.1Å; A96-F147 HydrophobicContact CB-CD2 4.36Å; G143-F147 VanDerWaalsContact O-CB 3.24Å; G143-F147 WeakPolarHBondContact O-CB 3.38Å; G143-F147 PolarHBondContact O-N 3.2Å; F147-D149 PolarHBondContact O-N 2.82Å; F147-G150 PolarHBondContact O-N 3.21Å; F147-G150 VanDerWaalsContact O-N 3.16Å; F147-W151 AromaticContact CD1-NE1 3.65Å; F147-W151 AromaticContact CE1-NE1 3.7Å; F147-W151 PolarHBondContact O-NE1 3.11Å; F147-Y178 HydrophobicContact CD1-CD2 4.41Å; F147-Y178 HydrophobicContact CD1-CE2 4.22Å
148P92.1Very high91.8Very high4 Ų444.2 Ų44.23%0.02623%0.228CC..G310 helixtrans-63-20.5173.3-24.534.5000117.1C144 G150 W151 Y167C144-P148 WeakPolarHBondContact O-CD 3.43Å; C144-P148 WeakPolarHBondContact O-CG 3.45Å; P148-G150 PolarHBondContact O-N 3.01Å; P148-W151 HydrophobicContact CB-CD2 4.12Å; P148-W151 HydrophobicContact CB-CE3 4.2Å; P148-W151 HydrophobicContact CB-CH2 3.74Å; P148-W151 HydrophobicContact CB-CZ2 3.68Å; P148-W151 HydrophobicContact CB-CZ3 4.01Å; P148-W151 HydrophobicContact CG-CH2 3.94Å; P148-W151 HydrophobicContact CG-CZ2 3.7Å; P148-Y167 HydrophobicContact CB-CD1 3.49Å; P148-Y167 VanDerWaalsContact CB-CD1 3.49Å; P148-Y167 HydrophobicContact CB-CE1 3.6Å; P148-Y167 HydrophobicContact CB-CG 4.01Å; P148-Y167 HydrophobicContact CG-CD1 4.21Å; P148-Y167 HydrophobicContact CG-CE1 4.08Å; P148-Y167 PolarHBondContact O-N 3.43Å; P148-Y167 VanDerWaalsContact O-N 3.11Å
149D90.9Very high91.2Very high54 Ų5440.9 Ų40.929%0.28921%0.208SC..G310 helixtrans-72.9-19.3176.5-166.748.4000111.9A92 I146 F147 K166 Y167A92-D149 HydrophobicContact CB-CB 4.16Å; I146-D149 VanDerWaalsContact O-CB 3.28Å; I146-D149 WeakPolarHBondContact O-CB 3.48Å; I146-D149 PolarHBondContact O-N 2.83Å; F147-D149 PolarHBondContact O-N 2.82Å; D149-K166 VanDerWaalsContact OD1-CD 3.26Å; D149-K166 WeakPolarHBondContact OD1-CD 3.36Å; D149-K166 WeakPolarHBondContact OD1-CE 3.3Å; D149-K166 IonicContact OD1-NZ 3.74Å; D149-K166 PolarHBondContact OD1-NZ 3.01Å; D149-K166 IonicContact OD2-NZ 2.63Å; D149-K166 PolarHBondContact OD2-NZ 3.48Å; D149-Y167 HydrophobicContact CB-CE2 4.49Å
150G88Confident90.8Very high0 Ų040.7 Ų40.70%021%0.206CC..G310 helixtrans-87.8-0.3178.300000115.4F93 F147 P148 D152 A153F93-G150 VanDerWaalsContact CE2-O 3.23Å; F93-G150 WeakPolarHBondContact CE2-O 3.33Å; F93-G150 VanDerWaalsContact CZ-C 3.42Å; F93-G150 WeakPolarHBondContact CZ-O 3.4Å; F147-G150 PolarHBondContact O-N 3.21Å; F147-G150 VanDerWaalsContact O-N 3.16Å; P148-G150 PolarHBondContact O-N 3.01Å; G150-D152 PolarHBondContact O-N 3.48Å; G150-A153 WeakPolarHBondContact O-CB 3.35Å; G150-A153 PolarHBondContact O-N 2.82Å
151W90.4Very high90.3Very high16 Ų1641.5 Ų41.56%0.06122%0.216CC..THydrogen-bonded Turntrans-72.4-11.1-176-63.4-5.6000114.1I47 F93 F147 P148 A153 I156 L169I47-W151 HydrophobicContact CD1-CD2 4.12Å; I47-W151 HydrophobicContact CD1-CG 4.34Å; I47-W151 HydrophobicContact CD1-CZ2 3.6Å; F93-W151 AromaticContact CZ-CD1 4Å; F147-W151 AromaticContact CD1-NE1 3.65Å; F147-W151 AromaticContact CE1-NE1 3.7Å; F147-W151 PolarHBondContact O-NE1 3.11Å; P148-W151 HydrophobicContact CB-CD2 4.12Å; P148-W151 HydrophobicContact CB-CE3 4.2Å; P148-W151 HydrophobicContact CB-CH2 3.74Å; P148-W151 HydrophobicContact CB-CZ2 3.68Å; P148-W151 HydrophobicContact CB-CZ3 4.01Å; P148-W151 HydrophobicContact CG-CH2 3.94Å; P148-W151 HydrophobicContact CG-CZ2 3.7Å; W151-A153 PolarHBondContact O-N 3.41Å; W151-I156 VanDerWaalsContact O-CG2 3.31Å; W151-I156 WeakPolarHBondContact O-CG2 3.1Å; W151-L169 HydrophobicContact CD2-CD1 4.44Å; W151-L169 HydrophobicContact CD2-CG 4.09Å; W151-L169 HydrophobicContact CE3-CB 4.48Å; W151-L169 HydrophobicContact CE3-CD1 3.89Å; W151-L169 HydrophobicContact CE3-CG 3.66Å; W151-L169 HydrophobicContact CH2-CD1 3.08Å; W151-L169 HydrophobicContact CH2-CG 3.8Å; W151-L169 HydrophobicContact CZ2-CD1 3.7Å; W151-L169 HydrophobicContact CZ2-CG 4.17Å; W151-L169 HydrophobicContact CZ3-CB 4.36Å; W151-L169 HydrophobicContact CZ3-CD1 3.19Å; W151-L169 HydrophobicContact CZ3-CG 3.52Å
152D88.2Confident89.7Confident63 Ų6346.1 Ų46.134%0.33723%0.234SC..THydrogen-bonded Turntrans-80.1-3175.665.9-18000113.8G150 R157 K166G150-D152 PolarHBondContact O-N 3.48Å; D152-R157 VanDerWaalsContact O-CD 3.31Å; D152-R157 WeakPolarHBondContact O-CD 3.42Å; D152-K166 HydrophobicContact CB-CG 4.02Å; D152-K166 WeakPolarHBondContact OD2-CE 3.39Å
153A87.1Confident89Confident10 Ų1051.1 Ų51.18%0.08326%0.255CS..SBendtrans-59.7140.3176.900000112P89 G150 W151 V155 I156 R157P89-A153 HydrophobicContact CB-CB 4.2Å; G150-A153 WeakPolarHBondContact O-CB 3.35Å; G150-A153 PolarHBondContact O-N 2.82Å; W151-A153 PolarHBondContact O-N 3.41Å; A153-V155 VanDerWaalsContact C-N 3.3Å; A153-V155 HydrophobicContact CB-CG1 4.37Å; A153-V155 PolarHBondContact O-N 3.07Å; A153-I156 WeakPolarHBondContact O-CB 3.32Å; A153-I156 PolarHBondContact O-N 2.71Å; A153-R157 PolarHBondContact O-N 3.1Å
154E86.6Confident88.5Confident158 Ų15851.3 Ų51.374%0.73826%0.256SS*.Hα-helixtrans-52.9-45.2-176.8-65.8178.8174.700112.3I156 R157 D158E154-I156 PolarHBondContact O-N 3.42Å; E154-I156 VanDerWaalsContact O-N 3.17Å; E154-R157 PolarHBondContact O-N 3.4Å; E154-D158 VanDerWaalsContact O-CG 3.32Å; E154-D158 PolarHBondContact O-N 2.9Å
155V84.3Confident87.9Confident34 Ų3451.8 Ų51.821%0.20626%0.262CS..Hα-helixtrans-59.5-30.117868.20000114F59 Y64 P89 A153F59-V155 HydrophobicContact CE1-CG1 4.22Å; F59-V155 HydrophobicContact CE1-CG2 4.14Å; F59-V155 HydrophobicContact CZ-CG2 4.43Å; Y64-V155 HydrophobicContact CD2-CG2 4.41Å; Y64-V155 HydrophobicContact CE2-CG2 3.85Å; P89-V155 HydrophobicContact CB-CG1 3.64Å; P89-V155 HydrophobicContact CG-CG1 3.72Å; A153-V155 VanDerWaalsContact C-N 3.3Å; A153-V155 HydrophobicContact CB-CG1 4.37Å; A153-V155 PolarHBondContact O-N 3.07Å
156I87.5Confident87.4Confident4 Ų451.4 Ų51.42%0.02126%0.258CS..Hα-helixtrans-81-39.1176.4-69.3179.1000109.8F59 F93 W151 A153 E154 D158 M159 C160F59-I156 HydrophobicContact CD1-CG1 4.15Å; F59-I156 HydrophobicContact CD2-CG1 4.47Å; F59-I156 HydrophobicContact CE1-CG1 3.87Å; F59-I156 HydrophobicContact CE2-CG1 4.14Å; F59-I156 HydrophobicContact CG-CG1 4.47Å; F59-I156 HydrophobicContact CZ-CG1 3.87Å; F93-I156 HydrophobicContact CE2-CD1 3.38Å; F93-I156 HydrophobicContact CZ-CD1 3.23Å; W151-I156 VanDerWaalsContact O-CG2 3.31Å; W151-I156 WeakPolarHBondContact O-CG2 3.1Å; A153-I156 WeakPolarHBondContact O-CB 3.32Å; A153-I156 PolarHBondContact O-N 2.71Å; E154-I156 PolarHBondContact O-N 3.42Å; E154-I156 VanDerWaalsContact O-N 3.17Å; I156-D158 VanDerWaalsContact C-N 3.31Å; I156-D158 PolarHBondContact O-N 2.95Å; I156-M159 PolarHBondContact O-N 3.32Å; I156-C160 HydrophobicContact CG2-CB 4.2Å; I156-C160 WeakPolarHBondContact O-CA 3.02Å; I156-C160 WeakPolarHBondContact O-CB 3.36Å; I156-C160 PolarHBondContact O-N 3.27Å; I156-C160 PolarHBondContact O-SG 3.17Å; I156-C160 VanDerWaalsContact O-SG 3.41Å
157R88.4Confident86.9Confident93 Ų9356 Ų5635%0.35127%0.273SS..Hα-helixtrans-62.9-38.2175.7-65.9176.260.81472.4112.5D152 A153 E154 M159 G161 E162 S164D152-R157 VanDerWaalsContact O-CD 3.31Å; D152-R157 WeakPolarHBondContact O-CD 3.42Å; A153-R157 PolarHBondContact O-N 3.1Å; E154-R157 PolarHBondContact O-N 3.4Å; R157-M159 VanDerWaalsContact C-N 3.25Å; R157-M159 PolarHBondContact O-N 3.03Å; R157-G161 CarbonylContact O-C 3.1Å; R157-G161 VanDerWaalsContact O-CA 3.22Å; R157-G161 WeakPolarHBondContact O-CA 3.49Å; R157-G161 PolarHBondContact O-N 2.98Å; R157-E162 PolarHBondContact NH2-O 3.36Å; R157-S164 WeakPolarHBondContact CA-OG 3.11Å; R157-S164 WeakPolarHBondContact CG-OG 3.49Å
158D86.4Confident86.7Confident123 Ų12358.9 Ų58.966%0.65829%0.294SS*.Hα-helixtrans-62.4-34.5175.9-71.4-12.8000112.1E154 I156E154-D158 VanDerWaalsContact O-CG 3.32Å; E154-D158 PolarHBondContact O-N 2.9Å; I156-D158 VanDerWaalsContact C-N 3.31Å; I156-D158 PolarHBondContact O-N 2.95Å
159M85.4Confident86.2Confident3 Ų360.7 Ų60.72%0.01530%0.303CS..Hα-helixtrans-90.5-42.3-178.5-167.3-169.9151.100113.3D49 H55 G57 F59 V66 I156 R157D49-M159 VanDerWaalsContact CA-CE 3.47Å; D49-M159 HydrophobicContact CB-CE 3.43Å; D49-M159 VanDerWaalsContact CB-CE 3.43Å; D49-M159 VanDerWaalsContact N-CE 3.29Å; H55-M159 HydrophobicContact CB-CG 4.42Å; G57-M159 VanDerWaalsContact CA-CE 3.45Å; G57-M159 WeakPolarHBondContact O-CE 3.33Å; F59-M159 HydrophobicContact CD2-SD 4.2Å; F59-M159 HydrophobicContact CE2-CB 4.23Å; F59-M159 HydrophobicContact CE2-CG 4.38Å; F59-M159 HydrophobicContact CE2-SD 3.28Å; F59-M159 WeakPolarHBondContact CE2-SD 3.39Å; F59-M159 HydrophobicContact CZ-CB 4.27Å; F59-M159 HydrophobicContact CZ-SD 3.86Å; V66-M159 HydrophobicContact CG2-SD 4.44Å; I156-M159 PolarHBondContact O-N 3.32Å; R157-M159 VanDerWaalsContact C-N 3.25Å; R157-M159 PolarHBondContact O-N 3.03Å
160C88.1Confident86.1Confident1 Ų159.6 Ų59.61%0.00730%0.304CS..Hα-helixtrans-97.61.3-171.7-560000113.3I156 D171 C172I156-C160 HydrophobicContact CG2-CB 4.2Å; I156-C160 WeakPolarHBondContact O-CA 3.02Å; I156-C160 WeakPolarHBondContact O-CB 3.36Å; I156-C160 PolarHBondContact O-N 3.27Å; I156-C160 PolarHBondContact O-SG 3.17Å; I156-C160 VanDerWaalsContact O-SG 3.41Å; C160-D171 PolarHBondContact O-N 2.97Å; C160-C172 WeakPolarHBondContact CA-SG 3.48Å; C160-C172 HydrophobicContact CB-CB 3.66Å; C160-C172 WeakPolarHBondContact CB-SG 3.34Å; C160-C172 WeakPolarHBondContact SG-CB 3.49Å; C160-C172 CovalentContact SG-SG 2.01Å; C160-C172 PolarHBondContact SG-SG 3.32Å
161G86.9Confident86.2Confident20 Ų2062.6 Ų62.621%0.20632%0.32CS..  trans91.3155.7-179.300000113.5R157 H163 S164R157-G161 CarbonylContact O-C 3.1Å; R157-G161 VanDerWaalsContact O-CA 3.22Å; R157-G161 WeakPolarHBondContact O-CA 3.49Å; R157-G161 PolarHBondContact O-N 2.98Å; G161-H163 PolarHBondContact O-N 3.4Å; G161-H163 VanDerWaalsContact O-N 3.14Å; G161-S164 WeakPolarHBondContact O-CB 3.27Å; G161-S164 PolarHBondContact O-N 2.89Å; G161-S164 PolarHBondContact O-OG 3.23Å
162E85.1Confident86.2Confident155 Ų15562.3 Ų62.372%0.72432%0.321SS*.THydrogen-bonded Turntrans-63.4-20-178.1-71.3-142.5130.600114.3R157 S164R157-E162 PolarHBondContact NH2-O 3.36Å; E162-S164 PolarHBondContact O-N 3.49Å
163H82.1Confident86.4Confident171 Ų17161.5 Ų61.579%0.79232%0.319SS*.THydrogen-bonded Turntrans-76.6-8175.3-62-55.8000113.4G161G161-H163 PolarHBondContact O-N 3.4Å; G161-H163 VanDerWaalsContact O-N 3.14Å
164S82.9Confident86.7Confident4 Ų463.3 Ų63.33%0.02833%0.33CS..  trans-69.3138.7173.661.40000111.1R157 G161 E162 S168R157-S164 WeakPolarHBondContact CA-OG 3.11Å; R157-S164 WeakPolarHBondContact CG-OG 3.49Å; G161-S164 WeakPolarHBondContact O-CB 3.27Å; G161-S164 PolarHBondContact O-N 2.89Å; G161-S164 PolarHBondContact O-OG 3.23Å; E162-S164 PolarHBondContact O-N 3.49Å; S164-S168 WeakPolarHBondContact CA-O 3.29Å
165G82.3Confident87.1Confident19 Ų1958 Ų5820%0.19630%0.303CS..BIsolated β-bridgetrans-157.2-176.7-177.800000110.9Y167 S168G165-Y167 PolarHBondContact O-N 3.2Å; G165-S168 PolarHBondContact N-O 2.97Å; G165-S168 CarbonylContact O-C 3.53Å; G165-S168 PolarHBondContact O-N 3.27Å
166K84.8Confident87.6Confident108 Ų10861.9 Ų61.947%0.4731%0.314SS..THydrogen-bonded Turntrans-53.7123.3179-63.2-178.6165.4-130.70110.4D149 D152 S168D149-K166 VanDerWaalsContact OD1-CD 3.26Å; D149-K166 WeakPolarHBondContact OD1-CD 3.36Å; D149-K166 WeakPolarHBondContact OD1-CE 3.3Å; D149-K166 IonicContact OD1-NZ 3.74Å; D149-K166 PolarHBondContact OD1-NZ 3.01Å; D149-K166 IonicContact OD2-NZ 2.63Å; D149-K166 PolarHBondContact OD2-NZ 3.48Å; D152-K166 HydrophobicContact CB-CG 4.02Å; D152-K166 WeakPolarHBondContact OD2-CE 3.39Å; K166-S168 PolarHBondContact O-N 3.47Å; K166-S168 VanDerWaalsContact O-N 3.09Å
167Y85.6Confident88Confident136 Ų13661.7 Ų61.753%0.53331%0.313SS..THydrogen-bonded Turntrans609.1-175.3-59.7-92.9000116.1M145 P148 D149 G165M145-Y167 PolarHBondContact O-OH 2.96Å; P148-Y167 HydrophobicContact CB-CD1 3.49Å; P148-Y167 VanDerWaalsContact CB-CD1 3.49Å; P148-Y167 HydrophobicContact CB-CE1 3.6Å; P148-Y167 HydrophobicContact CB-CG 4.01Å; P148-Y167 HydrophobicContact CG-CD1 4.21Å; P148-Y167 HydrophobicContact CG-CE1 4.08Å; P148-Y167 PolarHBondContact O-N 3.43Å; P148-Y167 VanDerWaalsContact O-N 3.11Å; D149-Y167 HydrophobicContact CB-CE2 4.49Å; G165-Y167 PolarHBondContact O-N 3.2Å
168S88.6Confident88.2Confident61 Ų6159 Ų5943%0.42730%0.303SS..BIsolated β-bridgetrans-122.498.5176-168.60000109.9S164 G165 K166 G170S164-S168 WeakPolarHBondContact CA-O 3.29Å; G165-S168 PolarHBondContact N-O 2.97Å; G165-S168 CarbonylContact O-C 3.53Å; G165-S168 PolarHBondContact O-N 3.27Å; K166-S168 PolarHBondContact O-N 3.47Å; K166-S168 VanDerWaalsContact O-N 3.09Å; S168-G170 PolarHBondContact O-N 3.01Å
169L81.6Confident88.6Confident42 Ų4257.7 Ų57.722%0.2229%0.294CS..  trans-70.9115.7164.3-75.2125.9000107.1I47 W151 C172 V174I47-L169 HydrophobicContact CB-CD2 4.34Å; I47-L169 HydrophobicContact CD1-CD2 3.85Å; I47-L169 HydrophobicContact CG1-CD2 3.92Å; I47-L169 HydrophobicContact CG2-CD2 3.47Å; I47-L169 VanDerWaalsContact CG2-CD2 3.47Å; W151-L169 HydrophobicContact CD2-CD1 4.44Å; W151-L169 HydrophobicContact CD2-CG 4.09Å; W151-L169 HydrophobicContact CE3-CB 4.48Å; W151-L169 HydrophobicContact CE3-CD1 3.89Å; W151-L169 HydrophobicContact CE3-CG 3.66Å; W151-L169 HydrophobicContact CH2-CD1 3.08Å; W151-L169 HydrophobicContact CH2-CG 3.8Å; W151-L169 HydrophobicContact CZ2-CD1 3.7Å; W151-L169 HydrophobicContact CZ2-CG 4.17Å; W151-L169 HydrophobicContact CZ3-CB 4.36Å; W151-L169 HydrophobicContact CZ3-CD1 3.19Å; W151-L169 HydrophobicContact CZ3-CG 3.52Å; L169-C172 HydrophobicContact CD2-CB 3.85Å; L169-V174 HydrophobicContact CD1-CG2 3.61Å
170G88.2Confident89.1Confident30 Ų3059.6 Ų59.631%0.30930%0.304SS..SBendtrans-64.7-103.4175.100000111.4S168S168-G170 PolarHBondContact O-N 3.01Å
171D89.7Confident89.5Confident63 Ų6359.6 Ų59.634%0.33730%0.304SS..SBendtrans-86.6-10.5179.9-70-47.3000113.8S50 K52 T53 C160S50-D171 WeakPolarHBondContact CB-O 3.15Å; K52-D171 HydrophobicContact CB-CB 4.01Å; T53-D171 HydrophobicContact CG2-CB 3.85Å; T53-D171 WeakPolarHBondContact CG2-O 3.25Å; C160-D171 PolarHBondContact O-N 2.97Å
172C91.4Very high89.9Confident11 Ų1162.1 Ų62.17%0.07431%0.312CS..  trans-76.3162178.1-76.60000113.7I47 G48 C160 L169I47-C172 HydrophobicContact CG2-CB 4.01Å; G48-C172 WeakPolarHBondContact O-CB 3.31Å; C160-C172 WeakPolarHBondContact CA-SG 3.48Å; C160-C172 HydrophobicContact CB-CB 3.66Å; C160-C172 WeakPolarHBondContact CB-SG 3.34Å; C160-C172 WeakPolarHBondContact SG-CB 3.49Å; C160-C172 CovalentContact SG-SG 2.01Å; C160-C172 PolarHBondContact SG-SG 3.32Å; L169-C172 HydrophobicContact CD2-CB 3.85Å
173S92.3Very high90.3Very high45 Ų4560 Ų6032%0.31530%0.303SS..EExtended strand (participates in β ladder)trans-123.3150.4178.468.10000112.5G48 D49G48-S173 PolarHBondContact N-O 2.71Å; G48-S173 PolarHBondContact O-N 2.75Å; D49-S173 PolarHBondContact O-OG 2.98Å
174V93.3Very high90.9Very high49 Ų4952 Ų5230%0.29727%0.267SS..EExtended strand (participates in β ladder)trans-71.3137.3171.6-179.50000109.2L169 Y178 M179L169-V174 HydrophobicContact CD1-CG2 3.61Å; V174-Y178 HydrophobicContact CG1-CD1 3.43Å; V174-Y178 VanDerWaalsContact CG1-CD1 3.43Å; V174-Y178 HydrophobicContact CG1-CE1 4.37Å; V174-Y178 HydrophobicContact CG1-CG 3.75Å; V174-M179 HydrophobicContact CB-CE 4.19Å; V174-M179 HydrophobicContact CG1-CE 3.78Å; V174-M179 HydrophobicContact CG1-SD 4.46Å
175R94.7Very high91.5Very high46 Ų4653 Ų5317%0.17427%0.272CS..  trans-106172.9-178.9-72.5-172.9173.4-150.8-3.1112Y45 W46 D49 G57 A177 Y178Y45-R175 VanDerWaalsContact CD1-NH1 3.33Å; Y45-R175 CarbonylContact O-C 3.58Å; Y45-R175 WeakPolarHBondContact O-CB 3.44Å; W46-R175 PolarHBondContact O-N 2.83Å; D49-R175 VanDerWaalsContact CG-NH2 3.32Å; D49-R175 IonicContact OD1-CZ 3.85Å; D49-R175 IonicContact OD1-NH2 2.75Å; D49-R175 PolarHBondContact OD1-NH2 3.38Å; D49-R175 IonicContact OD2-NH2 3.39Å; G57-R175 PolarHBondContact O-NH2 3.25Å; R175-A177 VanDerWaalsContact C-N 3.31Å; R175-A177 PolarHBondContact O-N 3.17Å; R175-Y178 PolarHBondContact O-N 3.36Å
176W95Very high92.1Very high116 Ų11657.2 Ų57.244%0.43929%0.289SS..Hα-helixtrans-62.7-29.7-17059.7-97.3000114.4V39 Q43 Y45 Y178 M179 L180V39-W176 HydrophobicContact CG1-CH2 3.85Å; V39-W176 HydrophobicContact CG1-CZ3 3.64Å; Q43-W176 HydrophobicContact CB-CH2 4.12Å; Q43-W176 HydrophobicContact CG-CH2 3.41Å; Q43-W176 VanDerWaalsContact CG-CH2 3.41Å; Q43-W176 HydrophobicContact CG-CZ2 3.45Å; Q43-W176 VanDerWaalsContact CG-CZ2 3.45Å; Q43-W176 HydrophobicContact CG-CZ3 4.23Å; Q43-W176 VanDerWaalsContact NE2-CZ2 3.32Å; Y45-W176 AromaticContact CD1-NE1 3.8Å; Y45-W176 HydrophobicContact CG-CZ2 4.46Å; Y45-W176 AromaticContact CG-NE1 3.84Å; W176-Y178 VanDerWaalsContact C-N 3.3Å; W176-Y178 PolarHBondContact O-N 3.36Å; W176-M179 WeakPolarHBondContact O-CB 3.24Å; W176-M179 PolarHBondContact O-N 3.4Å; W176-M179 VanDerWaalsContact O-N 3.16Å; W176-L180 HydrophobicContact CE3-CD1 3.56Å; W176-L180 HydrophobicContact CE3-CG 4.17Å; W176-L180 HydrophobicContact CZ3-CD1 3.52Å; W176-L180 WeakPolarHBondContact O-CG 3.49Å; W176-L180 PolarHBondContact O-N 3.42Å
177A94.8Very high92.5Very high0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-66.9-35.1-179.200000111.3Q43 Y45 R175 M179 L180 A181Q43-A177 HydrophobicContact CB-CB 4.42Å; Q43-A177 HydrophobicContact CG-CB 4.49Å; Y45-A177 WeakPolarHBondContact O-CB 3.47Å; Y45-A177 PolarHBondContact O-N 2.81Å; R175-A177 VanDerWaalsContact C-N 3.31Å; R175-A177 PolarHBondContact O-N 3.17Å; A177-M179 VanDerWaalsContact C-N 3.35Å; A177-L180 PolarHBondContact O-N 2.89Å; A177-A181 PolarHBondContact O-N 2.94Å
178Y94Very high93Very high35 Ų3547.6 Ų47.614%0.13725%0.252CS..Hα-helixtrans-65.3-38.9173.3-168.2-99.2000111.8W46 C144 F147 V174 R175 W176 A181 I182W46-Y178 HydrophobicContact CD2-CD2 4.29Å; W46-Y178 AromaticContact CE3-CD2 3.44Å; W46-Y178 HydrophobicContact CE3-CD2 3.44Å; W46-Y178 VanDerWaalsContact CE3-CD2 3.44Å; W46-Y178 HydrophobicContact CE3-CE2 4.07Å; W46-Y178 AromaticContact CZ3-CD2 3.64Å; W46-Y178 HydrophobicContact CZ3-CD2 3.64Å; W46-Y178 AromaticContact CZ3-CE2 3.95Å; W46-Y178 HydrophobicContact CZ3-CE2 3.95Å; C144-Y178 HydrophobicContact CB-CE2 4.42Å; C144-Y178 PolarHBondContact O-OH 2.84Å; F147-Y178 HydrophobicContact CD1-CD2 4.41Å; F147-Y178 HydrophobicContact CD1-CE2 4.22Å; V174-Y178 HydrophobicContact CG1-CD1 3.43Å; V174-Y178 VanDerWaalsContact CG1-CD1 3.43Å; V174-Y178 HydrophobicContact CG1-CE1 4.37Å; V174-Y178 HydrophobicContact CG1-CG 3.75Å; R175-Y178 PolarHBondContact O-N 3.36Å; W176-Y178 VanDerWaalsContact C-N 3.3Å; W176-Y178 PolarHBondContact O-N 3.36Å; Y178-A181 WeakPolarHBondContact O-CB 3.38Å; Y178-A181 PolarHBondContact O-N 2.84Å; Y178-I182 HydrophobicContact CD1-CD1 3.89Å; Y178-I182 HydrophobicContact CE1-CD1 3.71Å; Y178-I182 HydrophobicContact CE1-CG1 4.37Å; Y178-I182 PolarHBondContact O-N 3.25Å; Y178-I182 VanDerWaalsContact O-N 3.14Å
179M94.9Very high93.3Very high96 Ų9648.9 Ų48.947%0.47325%0.254SS..Hα-helixtrans-65.8-39.8175.8-57.7-57.2-176.600111.9V174 W176 A177 A181 I182 M183V174-M179 HydrophobicContact CB-CE 4.19Å; V174-M179 HydrophobicContact CG1-CE 3.78Å; V174-M179 HydrophobicContact CG1-SD 4.46Å; W176-M179 WeakPolarHBondContact O-CB 3.24Å; W176-M179 PolarHBondContact O-N 3.4Å; W176-M179 VanDerWaalsContact O-N 3.16Å; A177-M179 VanDerWaalsContact C-N 3.35Å; M179-A181 VanDerWaalsContact C-N 3.3Å; M179-A181 PolarHBondContact O-N 3.06Å; M179-I182 PolarHBondContact O-N 3.17Å; M179-I182 HydrophobicContact SD-CD1 4.49Å; M179-M183 PolarHBondContact O-N 3.19Å
180L95.7Very high93.8Very high43 Ų4351.6 Ų51.623%0.22527%0.268CS..Hα-helixtrans-61.7-38.4172.6-70.9-175.3000111.9V36 V39 V40 W176 A177 M183 G184V36-L180 HydrophobicContact CG1-CB 4.11Å; V39-L180 HydrophobicContact CG1-CD1 4.25Å; V40-L180 HydrophobicContact CG2-CB 3.61Å; W176-L180 HydrophobicContact CE3-CD1 3.56Å; W176-L180 HydrophobicContact CE3-CG 4.17Å; W176-L180 HydrophobicContact CZ3-CD1 3.52Å; W176-L180 WeakPolarHBondContact O-CG 3.49Å; W176-L180 PolarHBondContact O-N 3.42Å; A177-L180 PolarHBondContact O-N 2.89Å; L180-M183 HydrophobicContact CD2-CE 3.52Å; L180-M183 HydrophobicContact CG-CE 4.48Å; L180-M183 PolarHBondContact O-N 3.46Å; L180-G184 PolarHBondContact O-N 3.38Å
181A95.8Very high94.2Very high1 Ų150.2 Ų50.21%0.00825%0.253CS..Hα-helixtrans-62-43.1176.400000111.7V40 W46 A177 Y178 M179 G184 I185V40-A181 HydrophobicContact CG1-CB 3.71Å; V40-A181 HydrophobicContact CG2-CB 4.31Å; W46-A181 HydrophobicContact CH2-CB 4.17Å; W46-A181 HydrophobicContact CZ2-CB 4.36Å; A177-A181 PolarHBondContact O-N 2.94Å; Y178-A181 WeakPolarHBondContact O-CB 3.38Å; Y178-A181 PolarHBondContact O-N 2.84Å; M179-A181 VanDerWaalsContact C-N 3.3Å; M179-A181 PolarHBondContact O-N 3.06Å; A181-G184 PolarHBondContact O-N 3.11Å; A181-I185 WeakPolarHBondContact O-CG1 3.3Å; A181-I185 PolarHBondContact O-N 3.1Å; A181-I185 VanDerWaalsContact O-N 3.11Å
182I94.5Very high94.4Very high74 Ų7447.5 Ų47.538%0.37924%0.239SC..Hα-helixtrans-63-46.2175.7-64.2169.8000111.3Y178 M179 G184 I185Y178-I182 HydrophobicContact CD1-CD1 3.89Å; Y178-I182 HydrophobicContact CE1-CD1 3.71Å; Y178-I182 HydrophobicContact CE1-CG1 4.37Å; Y178-I182 PolarHBondContact O-N 3.25Å; Y178-I182 VanDerWaalsContact O-N 3.14Å; M179-I182 PolarHBondContact O-N 3.17Å; M179-I182 HydrophobicContact SD-CD1 4.49Å; I182-G184 VanDerWaalsContact C-N 3.26Å; I182-G184 PolarHBondContact O-N 3.17Å; I182-I185 WeakPolarHBondContact O-CB 3.3Å; I182-I185 PolarHBondContact O-N 3.31Å
183M95Very high94.5Very high109 Ų10953.7 Ų53.754%0.53727%0.265SS..Hα-helixtrans-62.2-37.3175.9-71.3-172.1-68.200111.8M179 L180 I185 L186 D187M179-M183 PolarHBondContact O-N 3.19Å; L180-M183 HydrophobicContact CD2-CE 3.52Å; L180-M183 HydrophobicContact CG-CE 4.48Å; L180-M183 PolarHBondContact O-N 3.46Å; M183-I185 VanDerWaalsContact C-N 3.29Å; M183-I185 PolarHBondContact O-N 3.31Å; M183-L186 PolarHBondContact O-N 2.96Å; M183-D187 PolarHBondContact O-N 2.9Å
184G94.8Very high94.5Very high3 Ų353.8 Ų53.83%0.03126%0.262CS..Hα-helixtrans-61.6-32.8175.300000113.8F33 L180 A181 I182 D187 A188F33-G184 WeakPolarHBondContact CE2-O 3.46Å; L180-G184 PolarHBondContact O-N 3.38Å; A181-G184 PolarHBondContact O-N 3.11Å; I182-G184 VanDerWaalsContact C-N 3.26Å; I182-G184 PolarHBondContact O-N 3.17Å; G184-D187 PolarHBondContact O-N 3.37Å; G184-A188 VanDerWaalsContact O-CB 3.32Å; G184-A188 WeakPolarHBondContact O-CB 3.39Å; G184-A188 PolarHBondContact O-N 2.74Å
185I95.6Very high94.4Very high26 Ų2651.4 Ų51.413%0.13325%0.248CC..Hα-helixtrans-63.4-46.4174.7-68.2163.7000110.7L140 V141 C144 A181 I182 M183 D187 A188 L189L140-I185 HydrophobicContact CB-CD1 4.37Å; L140-I185 HydrophobicContact CB-CG1 3.69Å; V141-I185 HydrophobicContact CB-CD1 4.4Å; V141-I185 HydrophobicContact CG2-CB 4.37Å; V141-I185 HydrophobicContact CG2-CD1 3.77Å; V141-I185 HydrophobicContact CG2-CG1 3.93Å; V141-I185 HydrophobicContact CG2-CG2 3.49Å; V141-I185 VanDerWaalsContact CG2-CG2 3.49Å; C144-I185 HydrophobicContact CB-CD1 4.4Å; A181-I185 WeakPolarHBondContact O-CG1 3.3Å; A181-I185 PolarHBondContact O-N 3.1Å; A181-I185 VanDerWaalsContact O-N 3.11Å; I182-I185 WeakPolarHBondContact O-CB 3.3Å; I182-I185 PolarHBondContact O-N 3.31Å; M183-I185 VanDerWaalsContact C-N 3.29Å; M183-I185 PolarHBondContact O-N 3.31Å; I185-D187 VanDerWaalsContact C-N 3.34Å; I185-A188 PolarHBondContact O-N 3.37Å; I185-L189 WeakPolarHBondContact O-CG 3.46Å; I185-L189 PolarHBondContact O-N 2.05Å
186L94.4Very high94.2Very high107 Ų10751.6 Ų51.656%0.5625%0.25SC*.Hα-helixtrans-63.8-43.1178.8-65.2175.3000111.1M183 L189 I190M183-L186 PolarHBondContact O-N 2.96Å; L186-L189 PolarHBondContact O-N 3.26Å; L186-I190 WeakPolarHBondContact O-CG1 3.36Å; L186-I190 PolarHBondContact O-N 3.43Å; L186-I190 VanDerWaalsContact O-N 3.1Å
187D93.8Very high94Very high42 Ų4247.9 Ų47.923%0.22524%0.24CC..Hα-helixtrans-64-43178.4-166.972.7000111.9F33 M183 G184 I185 L189 I190 L191F33-D187 VanDerWaalsContact CB-OD2 3.27Å; F33-D187 WeakPolarHBondContact CB-OD2 3.35Å; F33-D187 HydrophobicContact CD2-CB 4.4Å; M183-D187 PolarHBondContact O-N 2.9Å; G184-D187 PolarHBondContact O-N 3.37Å; I185-D187 VanDerWaalsContact C-N 3.34Å; D187-L189 VanDerWaalsContact C-N 3.3Å; D187-L189 PolarHBondContact O-N 3.29Å; D187-I190 PolarHBondContact O-N 3.34Å; D187-L191 WeakPolarHBondContact O-CB 3.05Å; D187-L191 WeakPolarHBondContact O-CG 3.11Å; D187-L191 PolarHBondContact O-N 3.07Å; D187-L191 WeakPolarHBondContact OD2-CD1 2.98Å
188A95.1Very high93.7Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-57.5-40.9174.900000112.8F33 G184 I185 S192F33-A188 HydrophobicContact CE1-CB 3.9Å; F33-A188 HydrophobicContact CE2-CB 4.42Å; F33-A188 HydrophobicContact CZ-CB 3.7Å; G184-A188 VanDerWaalsContact O-CB 3.32Å; G184-A188 WeakPolarHBondContact O-CB 3.39Å; G184-A188 PolarHBondContact O-N 2.74Å; I185-A188 PolarHBondContact O-N 3.37Å; A188-S192 VanDerWaalsContact O-CB 3.25Å; A188-S192 WeakPolarHBondContact O-CB 3.49Å; A188-S192 PolarHBondContact O-N 2.98Å
189L93.9Very high93.3Very high89 Ų8946.8 Ų46.847%0.46624%0.236SC..Hα-helixtrans-65.8-43.9177-68.6175000111.8L134 I185 L186 D187 F193L134-L189 HydrophobicContact CD1-CD2 4.3Å; I185-L189 WeakPolarHBondContact O-CG 3.46Å; I185-L189 PolarHBondContact O-N 2.05Å; L186-L189 PolarHBondContact O-N 3.26Å; D187-L189 VanDerWaalsContact C-N 3.3Å; D187-L189 PolarHBondContact O-N 3.29Å; L189-F193 WeakPolarHBondContact O-CB 3.45Å; L189-F193 PolarHBondContact O-N 2.89Å
190I94.1Very high93Very high98 Ų9845.9 Ų45.950%0.50323%0.233SC..Hα-helixtrans-63.9-47.8177.6-66.3166.7000110.1L186 D187 S192 F193 L194L186-I190 WeakPolarHBondContact O-CG1 3.36Å; L186-I190 PolarHBondContact O-N 3.43Å; L186-I190 VanDerWaalsContact O-N 3.1Å; D187-I190 PolarHBondContact O-N 3.34Å; I190-S192 PolarHBondContact O-N 2.83Å; I190-F193 PolarHBondContact O-N 3.24Å; I190-L194 HydrophobicContact CG2-CD1 3.98Å; I190-L194 HydrophobicContact CG2-CG 4.38Å; I190-L194 WeakPolarHBondContact O-CG 2.99Å; I190-L194 PolarHBondContact O-N 3.38Å
191L94.6Very high92.4Very high1 Ų148.5 Ų48.51%0.00524%0.24CC..Hα-helixtrans-59.2-46.5178.1-77177.7000112.2W26 F29 F33 Q133 D187 F193 L194 A195W26-L191 HydrophobicContact CG-CD2 4.39Å; W26-L191 PolarHBondContact NE1-O 3.35Å; F29-L191 HydrophobicContact CB-CD2 3.58Å; F29-L191 HydrophobicContact CB-CG 4.47Å; F33-L191 HydrophobicContact CB-CD1 3.84Å; F33-L191 HydrophobicContact CD1-CD1 3.84Å; F33-L191 HydrophobicContact CG-CD1 4.06Å; Q133-L191 PolarHBondContact OE1-O 3.43Å; D187-L191 WeakPolarHBondContact O-CB 3.05Å; D187-L191 WeakPolarHBondContact O-CG 3.11Å; D187-L191 PolarHBondContact O-N 3.07Å; D187-L191 WeakPolarHBondContact OD2-CD1 2.98Å; L191-F193 PolarHBondContact O-N 3.45Å; L191-L194 PolarHBondContact O-N 3.38Å; L191-A195 WeakPolarHBondContact O-CB 3.22Å; L191-A195 PolarHBondContact O-N 2.88Å
192S94.6Very high91.8Very high6 Ų652 Ų524%0.04226%0.257CS..Hα-helixtrans-58.9-47.1175.71680000111.2A130 A188 I190 L194 A195 F196A130-S192 PolarHBondContact O-OG 3.22Å; A188-S192 VanDerWaalsContact O-CB 3.25Å; A188-S192 WeakPolarHBondContact O-CB 3.49Å; A188-S192 PolarHBondContact O-N 2.98Å; I190-S192 PolarHBondContact O-N 2.83Å; S192-L194 PolarHBondContact O-N 2.74Å; S192-A195 PolarHBondContact O-N 3.49Å; S192-F196 VanDerWaalsContact O-CD2 3.23Å; S192-F196 WeakPolarHBondContact O-CD2 3.28Å; S192-F196 PolarHBondContact O-N 2.85Å
193F93.4Very high91.3Very high141 Ų14150 Ų5062%0.61825%0.248SC*.Hα-helixtrans-60.7-46.4177.8178.4-101.8000112L189 I190 L191 A195 F196 V197L189-F193 WeakPolarHBondContact O-CB 3.45Å; L189-F193 PolarHBondContact O-N 2.89Å; I190-F193 PolarHBondContact O-N 3.24Å; L191-F193 PolarHBondContact O-N 3.45Å; F193-A195 VanDerWaalsContact C-N 3.33Å; F193-A195 PolarHBondContact O-N 3.44Å; F193-F196 PolarHBondContact O-N 2.82Å; F193-V197 HydrophobicContact CD1-CG2 4.31Å; F193-V197 HydrophobicContact CD2-CG2 4.47Å; F193-V197 HydrophobicContact CE1-CG2 3.91Å; F193-V197 HydrophobicContact CE2-CG2 4.08Å; F193-V197 HydrophobicContact CZ-CG2 3.79Å; F193-V197 WeakPolarHBondContact O-CB 3.16Å; F193-V197 VanDerWaalsContact O-CG2 3.3Å; F193-V197 WeakPolarHBondContact O-CG2 3.23Å; F193-V197 PolarHBondContact O-N 3.32Å
194L91.6Very high90.8Very high47 Ų4749.1 Ų49.125%0.24625%0.245CC..Hα-helixtrans-59.7-43.3176.2-71.1174.5000111.5I22 I190 L191 S192 V197 L198I22-L194 HydrophobicContact CG2-CD2 4.45Å; I190-L194 HydrophobicContact CG2-CD1 3.98Å; I190-L194 HydrophobicContact CG2-CG 4.38Å; I190-L194 WeakPolarHBondContact O-CG 2.99Å; I190-L194 PolarHBondContact O-N 3.38Å; L191-L194 PolarHBondContact O-N 3.38Å; S192-L194 PolarHBondContact O-N 2.74Å; L194-V197 PolarHBondContact O-N 3.08Å; L194-L198 WeakPolarHBondContact O-CB 3.24Å; L194-L198 VanDerWaalsContact O-CG 3.25Å; L194-L198 WeakPolarHBondContact O-CG 2.94Å; L194-L198 PolarHBondContact O-N 3.34Å
195A91.5Very high90Very high0 Ų050.8 Ų50.80%025%0.252CS..Hα-helixtrans-63.2-43.1177.700000112.5W26 A130 L191 S192 F193 L198 G199W26-A195 HydrophobicContact CZ2-CB 3.76Å; A130-A195 HydrophobicContact CB-CB 3.45Å; A130-A195 VanDerWaalsContact CB-CB 3.45Å; L191-A195 WeakPolarHBondContact O-CB 3.22Å; L191-A195 PolarHBondContact O-N 2.88Å; S192-A195 PolarHBondContact O-N 3.49Å; F193-A195 VanDerWaalsContact C-N 3.33Å; F193-A195 PolarHBondContact O-N 3.44Å; A195-L198 PolarHBondContact O-N 3.45Å; A195-G199 PolarHBondContact O-N 2.91Å
196F91.8Very high89Confident50 Ų5055.9 Ų55.922%0.21927%0.27CS..Hα-helixtrans-61.4-45.3174.5-87.1-65.5000111.8A130 W131 S192 F193 G199 N200A130-F196 HydrophobicContact CB-CB 4.46Å; A130-F196 HydrophobicContact CB-CD1 3.99Å; A130-F196 HydrophobicContact CB-CD2 3.61Å; A130-F196 HydrophobicContact CB-CE1 4.06Å; A130-F196 HydrophobicContact CB-CE2 3.67Å; A130-F196 HydrophobicContact CB-CG 3.76Å; A130-F196 HydrophobicContact CB-CZ 3.9Å; W131-F196 HydrophobicContact CD2-CE1 4.4Å; W131-F196 AromaticContact CD2-CZ 3.73Å; W131-F196 HydrophobicContact CD2-CZ 3.73Å; W131-F196 AromaticContact CE2-CE1 3.83Å; W131-F196 AromaticContact CE2-CZ 3.56Å; W131-F196 HydrophobicContact CE3-CZ 4.21Å; W131-F196 HydrophobicContact CG-CZ 4.07Å; W131-F196 HydrophobicContact CH2-CZ 4.38Å; W131-F196 HydrophobicContact CZ2-CE1 4.16Å; W131-F196 AromaticContact CZ2-CZ 3.92Å; W131-F196 HydrophobicContact CZ2-CZ 3.92Å; W131-F196 AromaticContact NE1-CE1 3.69Å; W131-F196 AromaticContact NE1-CZ 3.79Å; S192-F196 VanDerWaalsContact O-CD2 3.23Å; S192-F196 WeakPolarHBondContact O-CD2 3.28Å; S192-F196 PolarHBondContact O-N 2.85Å; F193-F196 PolarHBondContact O-N 2.82Å; F196-G199 PolarHBondContact O-N 2.79Å; F196-N200 WeakPolarHBondContact O-CB 3.46Å; F196-N200 VanDerWaalsContact O-CG 3.24Å; F196-N200 PolarHBondContact O-N 3.44Å; F196-N200 PolarHBondContact O-ND2 3.14Å
197V90.6Very high88.3Confident37 Ų3754.8 Ų54.822%0.22426%0.264CS..Hα-helixtrans-62.6-44.2178.91690000111.1F193 L194 R201F193-V197 HydrophobicContact CD1-CG2 4.31Å; F193-V197 HydrophobicContact CD2-CG2 4.47Å; F193-V197 HydrophobicContact CE1-CG2 3.91Å; F193-V197 HydrophobicContact CE2-CG2 4.08Å; F193-V197 HydrophobicContact CZ-CG2 3.79Å; F193-V197 WeakPolarHBondContact O-CB 3.16Å; F193-V197 VanDerWaalsContact O-CG2 3.3Å; F193-V197 WeakPolarHBondContact O-CG2 3.23Å; F193-V197 PolarHBondContact O-N 3.32Å; L194-V197 PolarHBondContact O-N 3.08Å; V197-R201 WeakPolarHBondContact O-CB 3.21Å; V197-R201 VanDerWaalsContact O-CG 3.25Å; V197-R201 WeakPolarHBondContact O-CG 3.39Å; V197-R201 PolarHBondContact O-N 3.32Å; V197-R201 VanDerWaalsContact O-N 3.08Å
198L87.6Confident87.7Confident13 Ų1356.4 Ų56.47%0.06827%0.273CS..Hα-helixtrans-66.2-43.6176.7-71.6172000112.1I22 W26 Y126 L194 A195 R201 Q202I22-L198 HydrophobicContact CB-CD2 4.25Å; I22-L198 HydrophobicContact CG2-CD1 4.27Å; I22-L198 HydrophobicContact CG2-CD2 3.92Å; I22-L198 HydrophobicContact CG2-CG 4.31Å; W26-L198 HydrophobicContact CB-CD1 4.12Å; W26-L198 HydrophobicContact CG-CD1 4.29Å; Y126-L198 HydrophobicContact CD1-CB 4.31Å; Y126-L198 HydrophobicContact CE1-CD1 4.23Å; Y126-L198 HydrophobicContact CG-CB 4.35Å; L194-L198 WeakPolarHBondContact O-CB 3.24Å; L194-L198 VanDerWaalsContact O-CG 3.25Å; L194-L198 WeakPolarHBondContact O-CG 2.94Å; L194-L198 PolarHBondContact O-N 3.34Å; A195-L198 PolarHBondContact O-N 3.45Å; L198-R201 PolarHBondContact O-N 3.01Å; L198-Q202 WeakPolarHBondContact O-CB 3.34Å; L198-Q202 PolarHBondContact O-N 3.01Å
199G86.8Confident86.8Confident0 Ų061.4 Ų61.40%030%0.3CS..Hα-helixtrans-65.6-39.617900000113.1S123 A195 F196 T203S123-G199 PolarHBondContact OG-O 2.9Å; A195-G199 PolarHBondContact O-N 2.91Å; F196-G199 PolarHBondContact O-N 2.79Å; G199-T203 PolarHBondContact O-N 3.28Å; G199-T203 VanDerWaalsContact O-N 3.14Å; G199-T203 PolarHBondContact O-OG1 3Å
200N87.7Confident86.2Confident77 Ų7760.4 Ų60.441%0.41229%0.294SS..Hα-helixtrans-65.7-47.1174.7-71.9-14.1000110.7K127 F196 Q202 T203 D204K127-N200 WeakPolarHBondContact CE-OD1 3.38Å; F196-N200 WeakPolarHBondContact O-CB 3.46Å; F196-N200 VanDerWaalsContact O-CG 3.24Å; F196-N200 PolarHBondContact O-N 3.44Å; F196-N200 PolarHBondContact O-ND2 3.14Å; N200-Q202 VanDerWaalsContact C-N 3.32Å; N200-Q202 PolarHBondContact O-N 2.87Å; N200-T203 WeakPolarHBondContact O-CA 3.21Å; N200-T203 VanDerWaalsContact O-CB 3.25Å; N200-T203 WeakPolarHBondContact O-CB 3.3Å; N200-T203 PolarHBondContact O-N 3.07Å; N200-D204 PolarHBondContact O-N 3.22Å
201R84Confident85.5Confident98 Ų9860.7 Ų60.737%0.3729%0.294SS..Hα-helixtrans-57.9-42.1176.3-76.7-179.6154.7115.112.4113.4Y15 V197 L198 T203 D204 F205Y15-R201 VanDerWaalsContact OH-CZ 3.24Å; Y15-R201 PolarHBondContact OH-NE 3.24Å; Y15-R201 PolarHBondContact OH-NH2 3.44Å; Y15-R201 VanDerWaalsContact OH-NH2 3.12Å; V197-R201 WeakPolarHBondContact O-CB 3.21Å; V197-R201 VanDerWaalsContact O-CG 3.25Å; V197-R201 WeakPolarHBondContact O-CG 3.39Å; V197-R201 PolarHBondContact O-N 3.32Å; V197-R201 VanDerWaalsContact O-N 3.08Å; L198-R201 PolarHBondContact O-N 3.01Å; R201-T203 PolarHBondContact O-N 3.35Å; R201-D204 PolarHBondContact O-N 3.27Å; R201-F205 WeakPolarHBondContact O-CD2 3.28Å; R201-F205 PolarHBondContact O-N 3.03Å; R201-F205 VanDerWaalsContact O-N 3.14Å
202Q82.6Confident84.7Confident75 Ų7563.9 Ų63.935%0.3531%0.313SS..Hα-helixtrans-65.5-30176.3-167.764.82600112.3T122 L198 N200 Y206T122-Q202 HydrophobicContact CG2-CG 4.2Å; L198-Q202 WeakPolarHBondContact O-CB 3.34Å; L198-Q202 PolarHBondContact O-N 3.01Å; N200-Q202 VanDerWaalsContact C-N 3.32Å; N200-Q202 PolarHBondContact O-N 2.87Å; Q202-Y206 PolarHBondContact O-N 2.83Å
203T84.5Confident83.8Confident31 Ų3168.8 Ų68.819%0.1934%0.339CS..Hα-helixtrans-70.4-43.7174.9-48.70000110.9S123 K127 G199 N200 R201 F205 Y206 L207S123-T203 PolarHBondContact OG-OG1 3.42Å; K127-T203 WeakPolarHBondContact CE-OG1 3.37Å; K127-T203 PolarHBondContact NZ-OG1 3.27Å; G199-T203 PolarHBondContact O-N 3.28Å; G199-T203 VanDerWaalsContact O-N 3.14Å; G199-T203 PolarHBondContact O-OG1 3Å; N200-T203 WeakPolarHBondContact O-CA 3.21Å; N200-T203 VanDerWaalsContact O-CB 3.25Å; N200-T203 WeakPolarHBondContact O-CB 3.3Å; N200-T203 PolarHBondContact O-N 3.07Å; R201-T203 PolarHBondContact O-N 3.35Å; T203-F205 PolarHBondContact O-N 2.94Å; T203-Y206 PolarHBondContact O-N 3.16Å; T203-L207 HydrophobicContact CG2-CD1 4.31Å; T203-L207 WeakPolarHBondContact O-CG 2.97Å; T203-L207 PolarHBondContact O-N 3.39Å
204D82.9Confident83.1Confident91 Ų9167.4 Ų67.449%0.48734%0.338SS..Hα-helixtrans-60.9-45.1179.8-61.3-25.7000110.9N200 R201 Y206 L207 D208N200-D204 PolarHBondContact O-N 3.22Å; R201-D204 PolarHBondContact O-N 3.27Å; D204-Y206 PolarHBondContact O-N 2.7Å; D204-L207 PolarHBondContact O-N 3.35Å; D204-D208 PolarHBondContact O-N 3.45Å
205F77.9Confident82.4Confident38 Ų3871.2 Ų71.217%0.16735%0.353CS..Hα-helixtrans-58.8-44.5175-73.8-59000113H12 Y15 M16 R201 T203 L207 D208 D209H12-F205 AromaticContact ND1-CE1 3.94Å; Y15-F205 AromaticContact CD1-CZ 3.85Å; Y15-F205 HydrophobicContact CD1-CZ 3.85Å; Y15-F205 HydrophobicContact CE1-CE2 4.32Å; Y15-F205 AromaticContact CE1-CZ 3.78Å; Y15-F205 HydrophobicContact CE1-CZ 3.78Å; M16-F205 HydrophobicContact CG-CE1 4.36Å; M16-F205 HydrophobicContact CG-CZ 4.17Å; R201-F205 WeakPolarHBondContact O-CD2 3.28Å; R201-F205 PolarHBondContact O-N 3.03Å; R201-F205 VanDerWaalsContact O-N 3.14Å; T203-F205 PolarHBondContact O-N 2.94Å; F205-L207 VanDerWaalsContact C-N 3.28Å; F205-L207 PolarHBondContact O-N 3.3Å; F205-D208 PolarHBondContact O-N 3.16Å; F205-D209 PolarHBondContact O-N 3.48Å
206Y75.6Confident81.6Confident133 Ų13375.6 Ų75.652%0.52238%0.376SS..Hα-helixtrans-63.5-35.3178.3179.9-103.2000112.4Q202 T203 D204 L210Q202-Y206 PolarHBondContact O-N 2.83Å; T203-Y206 PolarHBondContact O-N 3.16Å; D204-Y206 PolarHBondContact O-N 2.7Å; Y206-L210 HydrophobicContact CD1-CD1 3.94Å; Y206-L210 HydrophobicContact CE1-CD1 3.44Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.44Å; Y206-L210 HydrophobicContact CE1-CG 4.23Å; Y206-L210 WeakPolarHBondContact O-CG 3.26Å; Y206-L210 PolarHBondContact O-N 2.96Å
207L80.4Confident80.8Confident84 Ų8479.5 Ų79.544%0.4439%0.393SS..Hα-helixtrans-71.2-39.3175.8-70173.3000112.2T203 D204 F205 D209 L210 Q211T203-L207 HydrophobicContact CG2-CD1 4.31Å; T203-L207 WeakPolarHBondContact O-CG 2.97Å; T203-L207 PolarHBondContact O-N 3.39Å; D204-L207 PolarHBondContact O-N 3.35Å; F205-L207 VanDerWaalsContact C-N 3.28Å; F205-L207 PolarHBondContact O-N 3.3Å; L207-D209 VanDerWaalsContact C-N 3.35Å; L207-L210 PolarHBondContact O-N 3.26Å; L207-Q211 WeakPolarHBondContact O-CG 3.31Å; L207-Q211 PolarHBondContact O-N 3.47Å
208D80.1Confident80.1Confident76 Ų7679.9 Ų79.941%0.40640%0.4SS..Hα-helixtrans-63.3-40.5175.9-80.2-11.8000111.7D204 F205 Q211 T212D204-D208 PolarHBondContact O-N 3.45Å; F205-D208 PolarHBondContact O-N 3.16Å; D208-Q211 PolarHBondContact O-N 2.75Å; D208-T212 WeakPolarHBondContact O-CB 3.33Å; D208-T212 PolarHBondContact O-N 3.15Å; D208-T212 PolarHBondContact O-OG1 2.8Å
209D77.1Confident79.6Confident105 Ų10583.1 Ų83.156%0.56142%0.42SS*.Hα-helixtrans-61.7-46.8174.6-72.2-22.2000110.9F205 L207 Q211 T212 D213F205-D209 PolarHBondContact O-N 3.48Å; L207-D209 VanDerWaalsContact C-N 3.35Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-Q211 PolarHBondContact O-N 3.34Å; D209-T212 PolarHBondContact O-N 3.37Å; D209-T212 VanDerWaalsContact O-N 3.15Å; D209-D213 PolarHBondContact O-N 3.49Å
210L79.7Confident78.9Confident67 Ų6786.1 Ų86.135%0.35144%0.441SS..Hα-helixtrans-62.1-36.5176.4-74.3174.6000113.1Y206 L207 N214Y206-L210 HydrophobicContact CD1-CD1 3.94Å; Y206-L210 HydrophobicContact CE1-CD1 3.44Å; Y206-L210 VanDerWaalsContact CE1-CD1 3.44Å; Y206-L210 HydrophobicContact CE1-CG 4.23Å; Y206-L210 WeakPolarHBondContact O-CG 3.26Å; Y206-L210 PolarHBondContact O-N 2.96Å; L207-L210 PolarHBondContact O-N 3.26Å; L210-N214 WeakPolarHBondContact O-CB 3.5Å; L210-N214 PolarHBondContact O-N 2.97Å; L210-N214 VanDerWaalsContact O-N 3.12Å; L210-N214 PolarHBondContact O-ND2 3.2Å
211Q81.3Confident77.9Confident105 Ų10590.5 Ų90.549%0.49145%0.452SS..Hα-helixtrans-69.9-36175.8-75.1-174.8700111.9L207 D208 D209 N214 K215L207-Q211 WeakPolarHBondContact O-CG 3.31Å; L207-Q211 PolarHBondContact O-N 3.47Å; D208-Q211 PolarHBondContact O-N 2.75Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-Q211 PolarHBondContact O-N 3.34Å; Q211-N214 PolarHBondContact O-N 3.03Å; Q211-K215 VanDerWaalsContact O-CG 3.28Å; Q211-K215 WeakPolarHBondContact O-CG 3.39Å; Q211-K215 PolarHBondContact O-N 2.63Å
212T77.4Confident77.3Confident68 Ų6891.3 Ų91.342%0.41746%0.463SS..Hα-helixtrans-67.1-47.7177.9-550000110.3D208 D209 N214 K215 D216D208-T212 WeakPolarHBondContact O-CB 3.33Å; D208-T212 PolarHBondContact O-N 3.15Å; D208-T212 PolarHBondContact O-OG1 2.8Å; D209-T212 PolarHBondContact O-N 3.37Å; D209-T212 VanDerWaalsContact O-N 3.15Å; T212-N214 VanDerWaalsContact C-N 3.31Å; T212-N214 PolarHBondContact O-N 2.99Å; T212-K215 WeakPolarHBondContact O-CB 3.47Å; T212-K215 PolarHBondContact O-N 2.75Å; T212-K215 VanDerWaalsContact O-N 3.09Å; T212-D216 PolarHBondContact O-N 3.47Å
213D74.8Confident76.4Confident109 Ų10994.1 Ų94.158%0.58348%0.476SS*.Hα-helixtrans-57.9-42.1174.4-81.3-8000112.3D209 K215 D216 F217D209-D213 PolarHBondContact O-N 3.49Å; D213-K215 PolarHBondContact O-N 2.87Å; D213-D216 PolarHBondContact O-N 2.86Å; D213-F217 WeakPolarHBondContact O-CB 3.17Å; D213-F217 PolarHBondContact O-N 3.45Å
214N79.8Confident75.5Confident112 Ų11296.1 Ų96.160%0.59949%0.488SS*.Hα-helixtrans-65-39176.7-83.3-50.8000112.6L210 Q211 T212 A218L210-N214 WeakPolarHBondContact O-CB 3.5Å; L210-N214 PolarHBondContact O-N 2.97Å; L210-N214 VanDerWaalsContact O-N 3.12Å; L210-N214 PolarHBondContact O-ND2 3.2Å; Q211-N214 PolarHBondContact O-N 3.03Å; T212-N214 VanDerWaalsContact C-N 3.31Å; T212-N214 PolarHBondContact O-N 2.99Å; N214-A218 WeakPolarHBondContact O-CB 3.31Å; N214-A218 PolarHBondContact O-N 2.86Å
215K76.9Confident74.6Confident127 Ų12799.9 Ų99.955%0.55250%0.495SS*.Hα-helixtrans-66.2-44.8175.7-75.8168.8-175.4164.50110.8Q211 T212 D213 F217 A218 V219Q211-K215 VanDerWaalsContact O-CG 3.28Å; Q211-K215 WeakPolarHBondContact O-CG 3.39Å; Q211-K215 PolarHBondContact O-N 2.63Å; T212-K215 WeakPolarHBondContact O-CB 3.47Å; T212-K215 PolarHBondContact O-N 2.75Å; T212-K215 VanDerWaalsContact O-N 3.09Å; D213-K215 PolarHBondContact O-N 2.87Å; K215-F217 VanDerWaalsContact C-N 3.33Å; K215-F217 PolarHBondContact O-N 3.04Å; K215-A218 WeakPolarHBondContact O-CB 3Å; K215-A218 PolarHBondContact O-N 3.03Å; K215-A218 VanDerWaalsContact O-N 3.15Å; K215-V219 VanDerWaalsContact O-CG2 3.32Å; K215-V219 WeakPolarHBondContact O-CG2 3.39Å; K215-V219 PolarHBondContact O-N 3.17Å
216D74.7Confident73.6Confident92 Ų92102.9 Ų102.949%0.49251%0.513SS..Hα-helixtrans-63.8-39.5178.4-74.8-11.5000111.7T212 D213 V219 S220T212-D216 PolarHBondContact O-N 3.47Å; D213-D216 PolarHBondContact O-N 2.86Å; D216-V219 PolarHBondContact O-N 2.92Å; D216-S220 VanDerWaalsContact O-CB 3.31Å; D216-S220 WeakPolarHBondContact O-CB 3.41Å; D216-S220 PolarHBondContact O-N 3.17Å; D216-S220 PolarHBondContact O-OG 3.11Å
217F75.2Confident72.7Confident131 Ų131107.3 Ų107.358%0.57553%0.529SS*.Hα-helixtrans-65.6-39173.3-164-93.4000112.2D213 K215 R221D213-F217 WeakPolarHBondContact O-CB 3.17Å; D213-F217 PolarHBondContact O-N 3.45Å; K215-F217 VanDerWaalsContact C-N 3.33Å; K215-F217 PolarHBondContact O-N 3.04Å; F217-R221 WeakPolarHBondContact O-CB 3.49Å; F217-R221 PolarHBondContact O-N 2.87Å
218A75.6Confident71.6Confident45 Ų45112.7 Ų112.737%0.37254%0.543SS..Hα-helixtrans-66.4-44.1175.800000112N214 K215 R221 I222N214-A218 WeakPolarHBondContact O-CB 3.31Å; N214-A218 PolarHBondContact O-N 2.86Å; K215-A218 WeakPolarHBondContact O-CB 3Å; K215-A218 PolarHBondContact O-N 3.03Å; K215-A218 VanDerWaalsContact O-N 3.15Å; A218-R221 WeakPolarHBondContact O-CB 3.29Å; A218-R221 PolarHBondContact O-N 2.74Å; A218-I222 WeakPolarHBondContact O-CG1 2.97Å; A218-I222 PolarHBondContact O-N 3.35Å
219V76.4Confident70.1Confident81 Ų81115 Ų11549%0.49155%0.551SS.*Hα-helixtrans-61.6-47.5175.5172.10000110.6K215 D216 R221 I222 E223K215-V219 VanDerWaalsContact O-CG2 3.32Å; K215-V219 WeakPolarHBondContact O-CG2 3.39Å; K215-V219 PolarHBondContact O-N 3.17Å; D216-V219 PolarHBondContact O-N 2.92Å; V219-R221 PolarHBondContact O-N 3.19Å; V219-I222 PolarHBondContact O-N 3.41Å; V219-E223 PolarHBondContact O-N 3.22Å
220S71.4Confident68.9Low63 Ų63114.7 Ų114.744%0.44156%0.555SS.*Hα-helixtrans-57.7-38.8175.5-59.50000111.8D216 V224D216-S220 VanDerWaalsContact O-CB 3.31Å; D216-S220 WeakPolarHBondContact O-CB 3.41Å; D216-S220 PolarHBondContact O-N 3.17Å; D216-S220 PolarHBondContact O-OG 3.11Å; S220-V224 WeakPolarHBondContact O-CB 3.44Å; S220-V224 VanDerWaalsContact O-CG2 3.24Å; S220-V224 WeakPolarHBondContact O-CG2 3.46Å; S220-V224 PolarHBondContact O-N 3.4Å
221R68.6Low67.6Low169 Ų169121.9 Ų121.964%0.63858%0.578SS**Hα-helixtrans-68.9-35.8176.9-154-165.7-62.5-166.73.8112.3F217 A218 V219 R225F217-R221 WeakPolarHBondContact O-CB 3.49Å; F217-R221 PolarHBondContact O-N 2.87Å; A218-R221 WeakPolarHBondContact O-CB 3.29Å; A218-R221 PolarHBondContact O-N 2.74Å; V219-R221 PolarHBondContact O-N 3.19Å; R221-R225 WeakPolarHBondContact O-CB 3.39Å; R221-R225 PolarHBondContact O-N 2.82Å
222I71.3Confident65.8Low116 Ų116127.3 Ų127.360%0.59560%0.595SS**Hα-helixtrans-67.8-46.6174.9-67.4165.1000110.3A218 V219 V224 R225 D226A218-I222 WeakPolarHBondContact O-CG1 2.97Å; A218-I222 PolarHBondContact O-N 3.35Å; V219-I222 PolarHBondContact O-N 3.41Å; I222-V224 VanDerWaalsContact C-N 3.33Å; I222-V224 PolarHBondContact O-N 2.01Å; I222-R225 WeakPolarHBondContact O-CB 3.37Å; I222-R225 PolarHBondContact O-N 2.97Å; I222-D226 PolarHBondContact O-N 3.32Å
223E63.2Low64.2Low133 Ų133127.4 Ų127.462%0.62161%0.61SS**Hα-helixtrans-60.1-40.8175.9-82-166.914300112.4V219 R225 D226 R227V219-E223 PolarHBondContact O-N 3.22Å; E223-R225 VanDerWaalsContact C-N 3.29Å; E223-R225 PolarHBondContact O-N 2.98Å; E223-D226 PolarHBondContact O-N 3.33Å; E223-R227 WeakPolarHBondContact O-CB 3.39Å; E223-R227 PolarHBondContact O-N 3.07Å
224V66.3Low62.6Low73 Ų73128 Ų12844%0.44262%0.617SS.*Hα-helixtrans-66-32174.9169.70000111.9S220 I222 R228S220-V224 WeakPolarHBondContact O-CB 3.44Å; S220-V224 VanDerWaalsContact O-CG2 3.24Å; S220-V224 WeakPolarHBondContact O-CG2 3.46Å; S220-V224 PolarHBondContact O-N 3.4Å; I222-V224 VanDerWaalsContact C-N 3.33Å; I222-V224 PolarHBondContact O-N 2.01Å; V224-R228 PolarHBondContact O-N 3.37Å
225R62.6Low61Low171 Ų171130.9 Ų130.965%0.64563%0.627SS**Hα-helixtrans-74-44.2175.9-172.8169.4-175.7163.11.3111.7R221 I222 E223 R227 R228 E229R221-R225 WeakPolarHBondContact O-CB 3.39Å; R221-R225 PolarHBondContact O-N 2.82Å; I222-R225 WeakPolarHBondContact O-CB 3.37Å; I222-R225 PolarHBondContact O-N 2.97Å; E223-R225 VanDerWaalsContact C-N 3.29Å; E223-R225 PolarHBondContact O-N 2.98Å; R225-R227 VanDerWaalsContact C-N 3.31Å; R225-R227 PolarHBondContact O-N 3.44Å; R225-R228 WeakPolarHBondContact O-CA 3.22Å; R225-R228 PolarHBondContact O-N 3.09Å; R225-E229 PolarHBondContact O-N 3.14Å
226D57.7Low59Low100 Ų100135.9 Ų135.954%0.53564%0.643SS.*Hα-helixtrans-64.6-35.3176.8-161.527.2000111.2I222 E223 R228 E229I222-D226 PolarHBondContact O-N 3.32Å; E223-D226 PolarHBondContact O-N 3.33Å; D226-R228 VanDerWaalsContact C-N 3.3Å; D226-R228 PolarHBondContact O-N 3.44Å; D226-E229 CarbonylContact O-C 3.06Å; D226-E229 PolarHBondContact O-N 2.71Å
227R57Low57.3Low226 Ų226138.3 Ų138.385%0.85365%0.654SS**Hα-helixtrans-65-29.3168.8-93-167.6-166.2-156.76.4114.3E223 R225E223-R227 WeakPolarHBondContact O-CB 3.39Å; E223-R227 PolarHBondContact O-N 3.07Å; R225-R227 VanDerWaalsContact C-N 3.31Å; R225-R227 PolarHBondContact O-N 3.44Å
228R57.4Low55.5Low198 Ų198144.3 Ų144.375%0.74768%0.684SS**Hα-helixtrans-85.2-19.5-179.1-110.8-170.1-83.3-157.6-5.1113.2V224 R225 D226 P230V224-R228 PolarHBondContact O-N 3.37Å; R225-R228 WeakPolarHBondContact O-CA 3.22Å; R225-R228 PolarHBondContact O-N 3.09Å; D226-R228 VanDerWaalsContact C-N 3.3Å; D226-R228 PolarHBondContact O-N 3.44Å; R228-P230 WeakPolarHBondContact O-CD 3.15Å
229E48.5Very low54.5Low124 Ų124149.3 Ų149.358%0.57970%0.699SS**SBendtrans-103.180.1169.2-72.7-174.7174.800109.6R225 D226 R231R225-E229 PolarHBondContact O-N 3.14Å; D226-E229 CarbonylContact O-C 3.06Å; D226-E229 PolarHBondContact O-N 2.71Å; E229-R231 PolarHBondContact O-N 2.98Å
230P50.7Low53.4Low99 Ų99152.8 Ų152.864%0.64371%0.71SS**  trans-61.3109.3169.425.9-30.5000107.5R228 Y232R228-P230 WeakPolarHBondContact O-CD 3.15Å; P230-Y232 PolarHBondContact O-N 2.99Å
231R52.9Low52.4Low217 Ų217157.8 Ų157.882%0.81973%0.725SS**  trans-49105.1172.2-139.2-172.5-69.8-173.3-2.1107.6E229 G233E229-R231 PolarHBondContact O-N 2.98Å; R231-G233 VanDerWaalsContact C-N 3.29Å; R231-G233 PolarHBondContact O-N 2.9Å
232Y43.8Very low51.4Low219 Ų219157.2 Ų157.286%0.85973%0.73SS**  trans-60.898.5166-93.7-92.3000106.7P230 V234P230-Y232 PolarHBondContact O-N 2.99Å; Y232-V234 PolarHBondContact O-N 3.33Å
233G42.8Very low50.2Low70 Ų70159.8 Ų159.872%0.72274%0.739SS**  trans-62.799.2166.100000108.1R231 Q235R231-G233 VanDerWaalsContact C-N 3.29Å; R231-G233 PolarHBondContact O-N 2.9Å; G233-Q235 PolarHBondContact O-N 2.83Å
234V42.1Very low49.3Very low123 Ų123161.5 Ų161.575%0.74575%0.747SS**  trans-73.486.5163.2179.40000106.7Y232 R236Y232-V234 PolarHBondContact O-N 3.33Å; V234-R236 HydrophobicContact CG1-CG 4.34Å; V234-R236 PolarHBondContact O-N 3.19Å
235Q45.2Very low48.1Very low172 Ų172167.9 Ų167.980%0.80477%0.769SS**  trans-78.399.3163.3-163.4165.9-15.400106.6G233 L237G233-Q235 PolarHBondContact O-N 2.83Å; Q235-L237 HydrophobicContact CG-CD1 4.49Å
236R36.2Very low47Very low232 Ų232167.6 Ų167.688%0.87578%0.778SS**  trans-104.999161.5-89.8-160.2-155.9-147.97.1109V234V234-R236 HydrophobicContact CG1-CG 4.34Å; V234-R236 PolarHBondContact O-N 3.19Å
237L38.1Very low46.1Very low142 Ų142173.3 Ų173.374%0.74380%0.798SS**  trans-84.2121.3146.9-98.594.1000107.7Q235Q235-L237 HydrophobicContact CG-CD1 4.49Å
238H38.6Very low45.1Very low257 Ų257168.5 Ų168.5100%1.1979%0.793SS**  trans151.70141.9-104.1-96.7000109.9

Retrieved 238 of 238 residues in 126 ms (Link to these results)

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