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Charged multivesicular body protein 4b

Probable core component of the endosomal sorting required for transport complex III (ESCRT-III) which is involved in multivesicular bodies (MVBs) formation and sorting of endosomal cargo proteins into MVBs. MVBs contain intraluminal vesicles (ILVs) that are generated by invagination and scission from the limiting membrane of the endosome and mostly are delivered to lysosomes enabling degradation of membrane proteins, such as stimulated growth factor receptors, lysosomal enzymes and lipids. The MVB pathway appears to require the sequential function of ESCRT-O, -I,-II and -III complexes. ESCRT-III proteins mostly dissociate from the invaginating membrane before the ILV is released1,2. The ESCRT machinery also functions in topologically equivalent membrane fission events, such as the terminal stages of cytokinesis3. Together with SPAST, the ESCRT-III complex promotes nuclear envelope sealing and mitotic spindle disassembly during late anaphase4. Plays a role in the endosomal sorting pathway. ESCRT-III proteins are believed to mediate the necessary vesicle extrusion and/or membrane fission activities, possibly in conjunction with the AAA ATPase VPS4. When overexpressed, membrane-assembled circular arrays of CHMP4B filaments can promote or stabilize negative curvature and outward budding. CHMP4A/B/C are required for the exosomal release of SDCBP, CD63 and syndecan5. Majority of the protein exists in a folded closed conformation6. (Microbial infection) The ESCRT machinery also functions in topologically equivalent membrane fission events, such as the budding of enveloped viruses (HIV-1 and other lentiviruses). Via its interaction with PDCD6IP involved in HIV-1 p6- and p9-dependent virus release.

AlphaFold DB , UniProt , Accession Q9H444, Species HUMAN (Homo sapiens, Human), Gene CHMP4B, Length 224 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
1M48Very low51.9Low241 Ų241143.3 Ų143.3100%1.18785%0.85SS**  0125.10-70.7-163.1-140.500108
2S54.1Low50.8Low107 Ų107138.4 Ų138.475%0.74885%0.852SS**  trans-80.7115.5-166.1-155.10000111F4S2-F4 VanDerWaalsContact C-N 3.27Å; S2-F4 PolarHBondContact O-N 3.13Å
3V55.5Low50Low146 Ų146133.2 Ų133.289%0.88584%0.843SS**  trans-92.560.6168.6-74.40000109.3
4F56.4Low49.6Very low201 Ų201138.3 Ų138.388%0.88285%0.846SS**  trans-106.467.3172.1-105.4-90.2000108.8S2S2-F4 VanDerWaalsContact C-N 3.27Å; S2-F4 PolarHBondContact O-N 3.13Å
5G52.8Low49.3Very low71 Ų71136.7 Ų136.773%0.73285%0.853SS**  trans-104.292.817700000110.4L7G5-L7 PolarHBondContact O-N 3.24Å; G5-L7 VanDerWaalsContact O-N 3.09Å
6K54Low49.1Very low193 Ų193132.3 Ų132.384%0.83984%0.842SS**  trans-42.2110.2164.8-74.9161.7168.2175.30110.7F8K6-F8 VanDerWaalsContact C-N 3.34Å
7L57.2Low49.6Very low174 Ų174136.4 Ų136.491%0.91185%0.845SS**  trans-106.366.3152.5-126.9125000108.1G5 G9G5-L7 PolarHBondContact O-N 3.24Å; G5-L7 VanDerWaalsContact O-N 3.09Å; L7-G9 PolarHBondContact O-N 3.05Å
8F58.8Low50.6Low199 Ų199132.9 Ų132.987%0.87384%0.84SS**  trans-71.272.6164.3-143.1-95.7000106.8K6K6-F8 VanDerWaalsContact C-N 3.34Å
9G45.9Very low52.2Low59 Ų59129.3 Ų129.361%0.60883%0.83SS**  trans-104.897.3178.400000109.4L7 G11L7-G9 PolarHBondContact O-N 3.05Å; G9-G11 PolarHBondContact O-N 3.43Å
10A47.4Very low53.9Low108 Ų108127.6 Ų127.689%0.89382%0.82SS**  trans-59.192.4176.800000111.4
11G40.4Very low55.7Low77 Ų77124.3 Ų124.379%0.79480%0.798SS**  trans-95.470162.600000109.6G9 G13G9-G11 PolarHBondContact O-N 3.43Å; G11-G13 PolarHBondContact O-N 2.98Å
12G39.7Very low57.8Low85 Ų85115.3 Ų115.388%0.87676%0.757SS**  trans-61.5119.316600000109.3
13G39.7Very low59.7Low71 Ų71115 Ų11573%0.73274%0.744SS**  trans164.240.3176.300000117.5G11G11-G13 PolarHBondContact O-N 2.98Å
14K44.1Very low61.6Low204 Ų204113.2 Ų113.289%0.88773%0.726SS**  trans-171.768.1150.9-114.7167.2179.7162.90112G16K14-G16 PolarHBondContact O-N 3.28Å
15A44.9Very low63.4Low114 Ų114104.9 Ų104.994%0.94269%0.694SS**  trans-70.7113.8145.300000105.9
16G46.9Very low65.5Low67 Ų67102.2 Ų102.269%0.69166%0.663SS**  trans179-6.2-178.600000118.4K14K14-G16 PolarHBondContact O-N 3.28Å
17K57.3Low67.6Low202 Ų20297.6 Ų97.688%0.87864%0.644SS**SBendtrans-140.9118.4161.6-78.8-173170.71790106.6
18G67.4Low69.5Low74 Ų7498 Ų9876%0.76363%0.634SS**PPolyproline II helixtrans-48.6150.4164.800000109
19G80.9Confident71.4Confident63 Ų6389.9 Ų89.965%0.64960%0.599SS**SBendtrans-50.3161.9171.300000111.2T21G19-T21 PolarHBondContact O-N 2.95Å
20P86.4Confident73.8Confident96 Ų9692.3 Ų92.362%0.62359%0.59SS**PPolyproline II helixtrans-51.8140179.824.2-33.7000110.3E24P20-E24 WeakPolarHBondContact CA-OE2 3.49Å; P20-E24 HydrophobicContact CB-CB 4.46Å
21T91.8Very high76.3Confident59 Ų5991.1 Ų91.136%0.36257%0.568SS.*PPolyproline II helixtrans-65.8155.6174.7670000109.8G19 Q23 E24 A25G19-T21 PolarHBondContact O-N 2.95Å; T21-Q23 PolarHBondContact O-N 3.12Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 PolarHBondContact O-N 3.05Å; T21-E24 VanDerWaalsContact O-N 3.14Å; T21-E24 WeakPolarHBondContact OG1-CB 3.49Å; T21-E24 WeakPolarHBondContact OG1-CG 3.5Å; T21-E24 PolarHBondContact OG1-N 3.11Å; T21-E24 VanDerWaalsContact OG1-N 3.16Å; T21-A25 PolarHBondContact O-N 3.18Å
22P92.5Very high79Confident51 Ų5190 Ų9033%0.33155%0.546SS..Hα-helixtrans-52.4-40.4174.1-27.335.3000112.2A25 I26 N100P22-A25 PolarHBondContact O-N 3.42Å; P22-I26 WeakPolarHBondContact O-CB 3.46Å; P22-I26 WeakPolarHBondContact O-CD1 3.28Å; P22-I26 WeakPolarHBondContact O-CG1 3.06Å; P22-I26 PolarHBondContact O-N 2.89Å; P22-N100 HydrophobicContact CB-CB 4.05Å; P22-N100 WeakPolarHBondContact CB-OD1 3.41Å
23Q93.7Very high81.8Confident100 Ų10087 Ų8747%0.46751%0.51SS..Hα-helixtrans-65.1-43.4179-64.873.917.800112.2T21 A25 I26 Q27 N100T21-Q23 PolarHBondContact O-N 3.12Å; Q23-A25 VanDerWaalsContact C-N 3.34Å; Q23-I26 PolarHBondContact O-N 3.46Å; Q23-Q27 WeakPolarHBondContact O-CB 3.38Å; Q23-Q27 PolarHBondContact O-N 2.85Å; Q23-N100 PolarHBondContact NE2-ND2 2.78Å; Q23-N100 PolarHBondContact NE2-OD1 3.39Å
24E95.2Very high84.6Confident110 Ų11088.8 Ų88.851%0.51450%0.499SS..Hα-helixtrans-62.8-41.6175.8-75.2170.1167.800111.8P20 T21 Q27 R28P20-E24 WeakPolarHBondContact CA-OE2 3.49Å; P20-E24 HydrophobicContact CB-CB 4.46Å; T21-E24 PolarHBondContact N-OE2 2.91Å; T21-E24 PolarHBondContact O-N 3.05Å; T21-E24 VanDerWaalsContact O-N 3.14Å; T21-E24 WeakPolarHBondContact OG1-CB 3.49Å; T21-E24 WeakPolarHBondContact OG1-CG 3.5Å; T21-E24 PolarHBondContact OG1-N 3.11Å; T21-E24 VanDerWaalsContact OG1-N 3.16Å; E24-Q27 PolarHBondContact O-N 3.09Å; E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.36Å
25A95.4Very high87.1Confident25 Ų2583.8 Ų83.821%0.20748%0.48CS..Hα-helixtrans-68.7-42.9178.100000111.8T21 P22 Q23 Q27 R28 L29 L96T21-A25 PolarHBondContact O-N 3.18Å; P22-A25 PolarHBondContact O-N 3.42Å; Q23-A25 VanDerWaalsContact C-N 3.34Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.32Å; A25-R28 PolarHBondContact O-N 2.93Å; A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 3.42Å; A25-L96 HydrophobicContact CB-CD2 3.47Å; A25-L96 VanDerWaalsContact CB-CD2 3.47Å
26I96.5Very high89.7Confident16 Ų1679.1 Ų79.18%0.08244%0.439CS..Hα-helixtrans-57-46.6172.9-70.3161.6000110.3P22 Q23 R28 L29 R30 R93 L96 E97P22-I26 WeakPolarHBondContact O-CB 3.46Å; P22-I26 WeakPolarHBondContact O-CD1 3.28Å; P22-I26 WeakPolarHBondContact O-CG1 3.06Å; P22-I26 PolarHBondContact O-N 2.89Å; Q23-I26 PolarHBondContact O-N 3.46Å; I26-R28 PolarHBondContact O-N 3.03Å; I26-L29 PolarHBondContact O-N 3.31Å; I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.83Å; I26-R93 HydrophobicContact CG2-CG 4.21Å; I26-L96 HydrophobicContact CD1-CG 4.35Å; I26-L96 HydrophobicContact CG1-CB 4.19Å; I26-L96 HydrophobicContact CG1-CD2 3.65Å; I26-L96 HydrophobicContact CG1-CG 3.88Å; I26-E97 HydrophobicContact CD1-CB 4.47Å; I26-E97 HydrophobicContact CD1-CG 3.66Å; I26-E97 HydrophobicContact CG1-CG 4Å; I26-E97 HydrophobicContact CG2-CG 4.16Å
27Q96.9Very high92.1Very high95 Ų9577.9 Ų77.944%0.44442%0.42SS..Hα-helixtrans-62.5-43.6179.9-173.158.548.900111.8Q23 E24 A25 L29 R30 D31Q23-Q27 WeakPolarHBondContact O-CB 3.38Å; Q23-Q27 PolarHBondContact O-N 2.85Å; E24-Q27 PolarHBondContact O-N 3.09Å; A25-Q27 VanDerWaalsContact C-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.32Å; Q27-L29 VanDerWaalsContact C-N 3.3Å; Q27-L29 PolarHBondContact O-N 2.98Å; Q27-R30 WeakPolarHBondContact O-CB 3.27Å; Q27-R30 PolarHBondContact O-N 3.29Å; Q27-D31 PolarHBondContact NE2-OD1 3.49Å; Q27-D31 VanDerWaalsContact O-CG 3.22Å; Q27-D31 PolarHBondContact O-N 2.95Å
28R97.6Very high94.1Very high184 Ų18473.8 Ų73.869%0.69440%0.402SS*.Hα-helixtrans-62.9-36.3176.4-75.7-171.9178.4-160.51.4113.2E24 A25 I26 T32E24-R28 WeakPolarHBondContact O-CG 3.46Å; E24-R28 PolarHBondContact O-N 3.36Å; A25-R28 PolarHBondContact O-N 2.93Å; I26-R28 PolarHBondContact O-N 3.03Å; R28-T32 WeakPolarHBondContact O-CB 3.48Å; R28-T32 PolarHBondContact O-N 3.42Å; R28-T32 PolarHBondContact O-OG1 3.4Å
29L98.1Very high95.5Very high28 Ų2875 Ų7515%0.14739%0.386CS..Hα-helixtrans-64-46.9174.3-68.2167.1000109.9A25 I26 Q27 D31 T32 E33 I89 Q92 R93 L96A25-L29 WeakPolarHBondContact O-CG 3.48Å; A25-L29 PolarHBondContact O-N 3.42Å; I26-L29 PolarHBondContact O-N 3.31Å; Q27-L29 VanDerWaalsContact C-N 3.3Å; Q27-L29 PolarHBondContact O-N 2.98Å; L29-D31 PolarHBondContact O-N 3.49Å; L29-T32 CarbonylContact O-C 3.58Å; L29-T32 WeakPolarHBondContact O-CA 3.38Å; L29-T32 WeakPolarHBondContact O-CB 3.37Å; L29-T32 PolarHBondContact O-N 2.92Å; L29-E33 WeakPolarHBondContact O-CG 3.41Å; L29-E33 PolarHBondContact O-N 3.3Å; L29-I89 HydrophobicContact CB-CG2 4.15Å; L29-I89 HydrophobicContact CD2-CD1 3.91Å; L29-I89 HydrophobicContact CD2-CG2 3.87Å; L29-Q92 HydrophobicContact CD1-CB 4.43Å; L29-R93 HydrophobicContact CB-CB 4.1Å; L29-R93 HydrophobicContact CB-CG 4.4Å; L29-R93 HydrophobicContact CD1-CB 4.07Å; L29-L96 HydrophobicContact CD1-CD2 4.23Å
30R98Very high96.4Very high110 Ų11074.2 Ų74.242%0.41537%0.365SS..Hα-helixtrans-58.4-44.3175.3-69.4177.4-179.3-178.8-0.8113.4I26 Q27 T32 E33 E34 R93 E97I26-R30 WeakPolarHBondContact O-CG 3.39Å; I26-R30 PolarHBondContact O-N 2.83Å; Q27-R30 WeakPolarHBondContact O-CB 3.27Å; Q27-R30 PolarHBondContact O-N 3.29Å; R30-T32 PolarHBondContact O-N 3.27Å; R30-E33 WeakPolarHBondContact O-CB 3.5Å; R30-E33 PolarHBondContact O-N 2.98Å; R30-E34 PolarHBondContact O-N 2.86Å; R30-R93 VanDerWaalsContact CG-CD 3.43Å; R30-E97 IonicContact CZ-OE1 2.99Å; R30-E97 IonicContact NE-OE1 2.74Å; R30-E97 IonicContact NH2-OE1 2.61Å; R30-E97 PolarHBondContact NH2-OE1 3.44Å
31D98.3Very high96.9Very high82 Ų8275.6 Ų75.644%0.43936%0.364SS..Hα-helixtrans-62.2-35.9176.7-62-14.9000111.1Q27 L29 M35Q27-D31 PolarHBondContact NE2-OD1 3.49Å; Q27-D31 VanDerWaalsContact O-CG 3.22Å; Q27-D31 PolarHBondContact O-N 2.95Å; L29-D31 PolarHBondContact O-N 3.49Å; D31-M35 WeakPolarHBondContact O-CB 3.35Å; D31-M35 PolarHBondContact O-N 2.94Å; D31-M35 VanDerWaalsContact O-N 3.12Å
32T97.8Very high97.3Very high53 Ų5378.3 Ų78.333%0.32537%0.371SS..Hα-helixtrans-71.6-42.2176.8-56.20000111.4R28 L29 R30 M35 L36R28-T32 WeakPolarHBondContact O-CB 3.48Å; R28-T32 PolarHBondContact O-N 3.42Å; R28-T32 PolarHBondContact O-OG1 3.4Å; L29-T32 CarbonylContact O-C 3.58Å; L29-T32 WeakPolarHBondContact O-CA 3.38Å; L29-T32 WeakPolarHBondContact O-CB 3.37Å; L29-T32 PolarHBondContact O-N 2.92Å; R30-T32 PolarHBondContact O-N 3.27Å; T32-M35 HydrophobicContact CG2-CE 4.4Å; T32-M35 PolarHBondContact O-N 2.92Å; T32-L36 HydrophobicContact CG2-CD1 4.07Å; T32-L36 HydrophobicContact CG2-CG 4.39Å; T32-L36 WeakPolarHBondContact O-CB 3.36Å; T32-L36 VanDerWaalsContact O-CG 3.3Å; T32-L36 WeakPolarHBondContact O-CG 2.91Å; T32-L36 PolarHBondContact O-N 2.88Å
33E98Very high97.6Very high24 Ų2476 Ų7611%0.11236%0.356CS..Hα-helixtrans-55.8-52.3172.3-69.8169.1-171.400110L29 R30 M35 L36 S37 L86 I89 E90 R93L29-E33 WeakPolarHBondContact O-CG 3.41Å; L29-E33 PolarHBondContact O-N 3.3Å; R30-E33 WeakPolarHBondContact O-CB 3.5Å; R30-E33 PolarHBondContact O-N 2.98Å; E33-M35 VanDerWaalsContact C-N 3.3Å; E33-M35 PolarHBondContact O-N 2.96Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-L36 VanDerWaalsContact O-N 3.09Å; E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 3.38Å; E33-S37 PolarHBondContact O-OG 3.38Å; E33-L86 HydrophobicContact CB-CD1 3.99Å; E33-L86 HydrophobicContact CG-CD1 4.07Å; E33-I89 HydrophobicContact CG-CB 4.4Å; E33-I89 HydrophobicContact CG-CG2 3.51Å; E33-E90 HydrophobicContact CG-CG 4.22Å; E33-E90 WeakPolarHBondContact OE1-CA 3.34Å; E33-R93 WeakPolarHBondContact OE1-CB 3.37Å; E33-R93 VanDerWaalsContact OE1-CD 3.25Å; E33-R93 WeakPolarHBondContact OE1-CD 3.33Å; E33-R93 IonicContact OE1-NE 2.79Å; E33-R93 PolarHBondContact OE1-NE 2.98Å; E33-R93 IonicContact OE2-NE 3.03Å; E33-R93 PolarHBondContact OE2-NE 3.45Å
34E98.3Very high97.8Very high107 Ų10774.9 Ų74.950%0.535%0.35SS..Hα-helixtrans-58.4-41.8180-169.7-171.7167.800112R30 K38R30-E34 PolarHBondContact O-N 2.86Å; E34-K38 WeakPolarHBondContact O-CG 3.29Å; E34-K38 PolarHBondContact O-N 2.92Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.39Å; E34-K38 IonicContact OE1-NZ 2.58Å; E34-K38 PolarHBondContact OE1-NZ 3.33Å
35M97.9Very high98Very high100 Ų10076 Ų7649%0.49335%0.353SS..Hα-helixtrans-64.2-43.6176.5-178.5-81.6-62.100112D31 T32 E33 K39D31-M35 WeakPolarHBondContact O-CB 3.35Å; D31-M35 PolarHBondContact O-N 2.94Å; D31-M35 VanDerWaalsContact O-N 3.12Å; T32-M35 HydrophobicContact CG2-CE 4.4Å; T32-M35 PolarHBondContact O-N 2.92Å; E33-M35 VanDerWaalsContact C-N 3.3Å; E33-M35 PolarHBondContact O-N 2.96Å; M35-K39 WeakPolarHBondContact O-CB 3.49Å; M35-K39 PolarHBondContact O-N 2.98Å; M35-K39 VanDerWaalsContact O-N 3.1Å
36L98.3Very high98.1Very high15 Ų1577.5 Ų77.58%0.07936%0.355CS..Hα-helixtrans-66.8-42.6178.3-72.4175.1000111.3T32 E33 K38 K39 Q40 I82 T85 L86 I89T32-L36 HydrophobicContact CG2-CD1 4.07Å; T32-L36 HydrophobicContact CG2-CG 4.39Å; T32-L36 WeakPolarHBondContact O-CB 3.36Å; T32-L36 VanDerWaalsContact O-CG 3.3Å; T32-L36 WeakPolarHBondContact O-CG 2.91Å; T32-L36 PolarHBondContact O-N 2.88Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-L36 VanDerWaalsContact O-N 3.09Å; L36-K38 PolarHBondContact O-N 3.21Å; L36-K39 CarbonylContact O-C 3.54Å; L36-K39 WeakPolarHBondContact O-CA 3.34Å; L36-K39 WeakPolarHBondContact O-CB 3.44Å; L36-K39 PolarHBondContact O-N 3.24Å; L36-Q40 PolarHBondContact O-N 3.29Å; L36-I82 HydrophobicContact CB-CG2 4.28Å; L36-I82 HydrophobicContact CD2-CG2 4.28Å; L36-T85 HydrophobicContact CD1-CG2 3.97Å; L36-L86 HydrophobicContact CB-CD1 4.07Å; L36-L86 HydrophobicContact CD1-CB 4.48Å; L36-L86 HydrophobicContact CD1-CD1 4.48Å; L36-I89 HydrophobicContact CD1-CG1 4.38Å
37S98.2Very high98.2Very high41 Ų4177.8 Ų77.829%0.28736%0.357SS..Hα-helixtrans-61-45176.3-59.10000111.9E33 K39 Q40 E41E33-S37 WeakPolarHBondContact O-CB 3.48Å; E33-S37 PolarHBondContact O-N 3.38Å; E33-S37 PolarHBondContact O-OG 3.38Å; S37-K39 PolarHBondContact O-N 3.04Å; S37-Q40 VanDerWaalsContact O-CB 3.27Å; S37-Q40 WeakPolarHBondContact O-CB 3.33Å; S37-Q40 PolarHBondContact O-N 2.95Å; S37-Q40 VanDerWaalsContact O-N 3.14Å; S37-E41 WeakPolarHBondContact O-CG 3.31Å; S37-E41 PolarHBondContact O-N 2.79Å
38K98.5Very high98.3Very high117 Ų11779.5 Ų79.551%0.50937%0.365SS..Hα-helixtrans-59.9-36.7173.1-73.9172.9-175.4167.80112.4E34 L36 F42E34-K38 WeakPolarHBondContact O-CG 3.29Å; E34-K38 PolarHBondContact O-N 2.92Å; E34-K38 VanDerWaalsContact OE1-CE 3.24Å; E34-K38 WeakPolarHBondContact OE1-CE 3.39Å; E34-K38 IonicContact OE1-NZ 2.58Å; E34-K38 PolarHBondContact OE1-NZ 3.33Å; L36-K38 PolarHBondContact O-N 3.21Å; K38-F42 WeakPolarHBondContact O-CB 3.47Å; K38-F42 PolarHBondContact O-N 3.27Å; K38-F42 VanDerWaalsContact O-N 3.08Å
39K98.1Very high98.3Very high99 Ų9974.9 Ų74.943%0.4335%0.351SS..Hα-helixtrans-72.5-34.7177.9-165.6176.5175.2-172.20111.8M35 L36 S37 F42 L43 I82M35-K39 WeakPolarHBondContact O-CB 3.49Å; M35-K39 PolarHBondContact O-N 2.98Å; M35-K39 VanDerWaalsContact O-N 3.1Å; L36-K39 CarbonylContact O-C 3.54Å; L36-K39 WeakPolarHBondContact O-CA 3.34Å; L36-K39 WeakPolarHBondContact O-CB 3.44Å; L36-K39 PolarHBondContact O-N 3.24Å; S37-K39 PolarHBondContact O-N 3.04Å; K39-F42 PolarHBondContact O-N 2.85Å; K39-L43 WeakPolarHBondContact O-CG 3.16Å; K39-L43 PolarHBondContact O-N 2.65Å; K39-I82 HydrophobicContact CB-CD1 4.06Å; K39-I82 HydrophobicContact CD-CD1 3.5Å; K39-I82 HydrophobicContact CG-CD1 3.53Å
40Q98.3Very high98.3Very high46 Ų4674.7 Ų74.722%0.21535%0.349CS..Hα-helixtrans-59-56.8172-168.2-167.9-45.400110.1L36 S37 F42 L43 E44 L79 I82 D83L36-Q40 PolarHBondContact O-N 3.29Å; S37-Q40 VanDerWaalsContact O-CB 3.27Å; S37-Q40 WeakPolarHBondContact O-CB 3.33Å; S37-Q40 PolarHBondContact O-N 2.95Å; S37-Q40 VanDerWaalsContact O-N 3.14Å; Q40-F42 VanDerWaalsContact C-N 3.27Å; Q40-F42 PolarHBondContact O-N 2.78Å; Q40-L43 PolarHBondContact O-N 3.33Å; Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 3.28Å; Q40-E44 PolarHBondContact O-N 3.36Å; Q40-L79 HydrophobicContact CB-CD1 4.21Å; Q40-L79 HydrophobicContact CG-CD1 3.33Å; Q40-I82 HydrophobicContact CB-CG2 4.22Å; Q40-D83 WeakPolarHBondContact CG-OD1 3.42Å
41E98.6Very high98.2Very high125 Ų12572.3 Ų72.358%0.58435%0.345SS*.Hα-helixtrans-55.7-41.6177.8-69175.9-171.700112.3S37 L43 E44 K45S37-E41 WeakPolarHBondContact O-CG 3.31Å; S37-E41 PolarHBondContact O-N 2.79Å; E41-L43 PolarHBondContact O-N 2.72Å; E41-E44 PolarHBondContact O-N 2.83Å; E41-K45 WeakPolarHBondContact O-CB 3.15Å; E41-K45 PolarHBondContact O-N 2.87Å
42F98.5Very high98.2Very high116 Ų11672.7 Ų72.751%0.50935%0.35SS..Hα-helixtrans-61.6-43.6176.4175.4-98.8000112.1K38 K39 Q40 K46K38-F42 WeakPolarHBondContact O-CB 3.47Å; K38-F42 PolarHBondContact O-N 3.27Å; K38-F42 VanDerWaalsContact O-N 3.08Å; K39-F42 PolarHBondContact O-N 2.85Å; Q40-F42 VanDerWaalsContact C-N 3.27Å; Q40-F42 PolarHBondContact O-N 2.78Å; F42-K46 HydrophobicContact CD1-CG 4.31Å; F42-K46 HydrophobicContact CE1-CG 3.9Å; F42-K46 HydrophobicContact CE2-CG 4.41Å; F42-K46 HydrophobicContact CZ-CD 4.28Å; F42-K46 HydrophobicContact CZ-CG 3.97Å; F42-K46 VanDerWaalsContact O-CG 3.31Å; F42-K46 WeakPolarHBondContact O-CG 3.19Å; F42-K46 PolarHBondContact O-N 3.31Å
43L98.6Very high98Very high4 Ų471.5 Ų71.52%0.02135%0.346CS..Hα-helixtrans-68.9-40.2178.2-74.4178.8000112K39 Q40 E41 K45 K46 I47 Y75 Q78 L79 I82K39-L43 WeakPolarHBondContact O-CG 3.16Å; K39-L43 PolarHBondContact O-N 2.65Å; Q40-L43 PolarHBondContact O-N 3.33Å; E41-L43 PolarHBondContact O-N 2.72Å; L43-K45 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 3.41Å; L43-K46 CarbonylContact O-C 3.59Å; L43-K46 WeakPolarHBondContact O-CB 3.26Å; L43-K46 PolarHBondContact O-N 2.78Å; L43-K46 VanDerWaalsContact O-N 3.12Å; L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.24Å; L43-I47 PolarHBondContact O-N 3.28Å; L43-Y75 HydrophobicContact CD2-CD1 3.74Å; L43-Y75 HydrophobicContact CD2-CG 4.33Å; L43-Q78 HydrophobicContact CD1-CB 3.72Å; L43-Q78 HydrophobicContact CD2-CB 4.47Å; L43-L79 HydrophobicContact CB-CB 4.48Å; L43-L79 HydrophobicContact CB-CD1 4.31Å; L43-L79 HydrophobicContact CD1-CB 4.29Å; L43-I82 HydrophobicContact CD1-CD1 3.54Å
44E98.7Very high97.8Very high76 Ų7670.8 Ų70.836%0.35534%0.344SS..Hα-helixtrans-56.8-49.4173.7-71.4172.3178.800110.7Q40 E41 K46 I47 E48 L79Q40-E44 PolarHBondContact NE2-OE1 3.44Å; Q40-E44 WeakPolarHBondContact O-CG 3.28Å; Q40-E44 PolarHBondContact O-N 3.36Å; E41-E44 PolarHBondContact O-N 2.83Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.15Å; E44-I47 WeakPolarHBondContact O-CB 3.16Å; E44-I47 PolarHBondContact O-N 2.71Å; E44-I47 VanDerWaalsContact O-N 3.09Å; E44-E48 PolarHBondContact O-N 2.75Å; E44-L79 HydrophobicContact CG-CD1 4.13Å; E44-L79 HydrophobicContact CG-CD2 3.93Å
45K98.7Very high97.7Very high132 Ų13273.2 Ų73.257%0.57435%0.353SS*.Hα-helixtrans-59.7-38.4174.6-172.4173.6-174.9170.20112.6E41 L43 E48 Q49E41-K45 WeakPolarHBondContact O-CB 3.15Å; E41-K45 PolarHBondContact O-N 2.87Å; L43-K45 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 3.41Å; K45-E48 PolarHBondContact O-N 3.24Å; K45-Q49 VanDerWaalsContact O-CG 3.25Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 3.2Å
46K98.6Very high97.5Very high58 Ų5877 Ų7725%0.25237%0.367SS..Hα-helixtrans-66.3-39.7175.1-74.8-72.2173.2-163.30112.1F42 L43 E44 E48 Q49 E50 Y75F42-K46 HydrophobicContact CD1-CG 4.31Å; F42-K46 HydrophobicContact CE1-CG 3.9Å; F42-K46 HydrophobicContact CE2-CG 4.41Å; F42-K46 HydrophobicContact CZ-CD 4.28Å; F42-K46 HydrophobicContact CZ-CG 3.97Å; F42-K46 VanDerWaalsContact O-CG 3.31Å; F42-K46 WeakPolarHBondContact O-CG 3.19Å; F42-K46 PolarHBondContact O-N 3.31Å; L43-K46 CarbonylContact O-C 3.59Å; L43-K46 WeakPolarHBondContact O-CB 3.26Å; L43-K46 PolarHBondContact O-N 2.78Å; L43-K46 VanDerWaalsContact O-N 3.12Å; E44-K46 VanDerWaalsContact C-N 3.3Å; E44-K46 PolarHBondContact O-N 3.15Å; K46-E48 VanDerWaalsContact C-N 3.34Å; K46-Q49 PolarHBondContact O-N 2.8Å; K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 2.77Å; K46-Y75 HydrophobicContact CB-CD2 3.86Å; K46-Y75 HydrophobicContact CB-CE2 3.94Å; K46-Y75 HydrophobicContact CB-CG 4.23Å
47I98.6Very high97.2Very high22 Ų2279.7 Ų79.711%0.11338%0.378CS..Hα-helixtrans-61.1-44.9175.9-73.3163.4000110.2L43 E44 E50 L51 K72 E76 L79L43-I47 VanDerWaalsContact O-CG1 3.26Å; L43-I47 WeakPolarHBondContact O-CG1 3.24Å; L43-I47 PolarHBondContact O-N 3.28Å; E44-I47 WeakPolarHBondContact O-CB 3.16Å; E44-I47 PolarHBondContact O-N 2.71Å; E44-I47 VanDerWaalsContact O-N 3.09Å; I47-E50 PolarHBondContact O-N 2.9Å; I47-L51 WeakPolarHBondContact O-CB 3.2Å; I47-L51 PolarHBondContact O-N 3.11Å; I47-K72 HydrophobicContact CG2-CD 4.41Å; I47-K72 HydrophobicContact CG2-CG 4.07Å; I47-E76 HydrophobicContact CD1-CB 4.49Å; I47-E76 HydrophobicContact CD1-CG 3.89Å; I47-E76 HydrophobicContact CG1-CG 4.22Å; I47-L79 HydrophobicContact CD1-CB 4.32Å; I47-L79 HydrophobicContact CD1-CD2 3.68Å
48E98.6Very high96.5Very high130 Ų13079.2 Ų79.261%0.60738%0.38SS*.Hα-helixtrans-63.4-42.8176.3-70.1-176167.800112.8E44 K45 K46 E50 L51 T52E44-E48 PolarHBondContact O-N 2.75Å; K45-E48 PolarHBondContact O-N 3.24Å; K46-E48 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 3.43Å; E48-L51 PolarHBondContact O-N 3.38Å; E48-T52 WeakPolarHBondContact O-CB 3.38Å; E48-T52 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-OG1 2.81Å
49Q98.1Very high96Very high87 Ų8780.1 Ų80.141%0.40740%0.395SS..Hα-helixtrans-59-47.5175.6-75.8173.53.300111.3K45 K46 T52 A53K45-Q49 VanDerWaalsContact O-CG 3.25Å; K45-Q49 WeakPolarHBondContact O-CG 3.27Å; K45-Q49 PolarHBondContact O-N 3.2Å; K46-Q49 PolarHBondContact O-N 2.8Å; Q49-T52 PolarHBondContact O-N 2.78Å; Q49-A53 WeakPolarHBondContact O-CB 3.33Å; Q49-A53 PolarHBondContact O-N 3.46Å
50E96.8Very high95.5Very high24 Ų2485.2 Ų85.211%0.11242%0.418CS..Hα-helixtrans-69.2-34.4179.1-66-61.7172.300112.4K46 I47 E48 A53 A54 A68 R71 K72 Y75K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 2.77Å; I47-E50 PolarHBondContact O-N 2.9Å; E48-E50 PolarHBondContact O-N 3.43Å; E50-A53 PolarHBondContact O-N 2.9Å; E50-A54 WeakPolarHBondContact O-CB 3.37Å; E50-A54 PolarHBondContact O-N 3.31Å; E50-A68 WeakPolarHBondContact OE2-CA 3.41Å; E50-A68 WeakPolarHBondContact OE2-CB 3.38Å; E50-R71 HydrophobicContact CG-CB 4.04Å; E50-R71 IonicContact OE1-CZ 3.71Å; E50-R71 IonicContact OE1-NE 2.82Å; E50-R71 PolarHBondContact OE1-NE 2.89Å; E50-R71 IonicContact OE1-NH2 3.72Å; E50-R71 IonicContact OE2-CZ 3.34Å; E50-R71 IonicContact OE2-NE 3.06Å; E50-R71 PolarHBondContact OE2-NE 3.47Å; E50-R71 IonicContact OE2-NH2 2.78Å; E50-R71 PolarHBondContact OE2-NH2 2.92Å; E50-K72 HydrophobicContact CB-CB 3.91Å; E50-Y75 HydrophobicContact CG-CD2 4.08Å; E50-Y75 HydrophobicContact CG-CE2 3.82Å
51L96.9Very high95.3Very high60 Ų6086.6 Ų86.631%0.31443%0.426SS..Hα-helixtrans-63.9-43.5173.5-176.660.3000111.2I47 E48 A54 K55 K72I47-L51 WeakPolarHBondContact O-CB 3.2Å; I47-L51 PolarHBondContact O-N 3.11Å; E48-L51 PolarHBondContact O-N 3.38Å; L51-A54 PolarHBondContact O-N 2.88Å; L51-K55 HydrophobicContact CG-CD 4.5Å; L51-K55 WeakPolarHBondContact O-CG 3.19Å; L51-K55 PolarHBondContact O-N 3.41Å; L51-K72 HydrophobicContact CB-CD 4.11Å; L51-K72 HydrophobicContact CD1-CD 4.23Å
52T97.5Very high94.9Very high91 Ų9187.6 Ų87.656%0.55843%0.429SS*.Hα-helixtrans-64.4-43176.4-58.90000111.1E48 Q49 A54 K55 K56E48-T52 WeakPolarHBondContact O-CB 3.38Å; E48-T52 PolarHBondContact O-N 2.87Å; E48-T52 PolarHBondContact O-OG1 2.81Å; Q49-T52 PolarHBondContact O-N 2.78Å; T52-A54 PolarHBondContact O-N 3.42Å; T52-K55 PolarHBondContact O-N 3.04Å; T52-K56 WeakPolarHBondContact O-CB 3.36Å; T52-K56 PolarHBondContact O-N 3.45Å
53A94.1Very high94.5Very high28 Ų2891.3 Ų91.323%0.23144%0.44CS..Hα-helixtrans-61.5-42.7175.100000112.1Q49 E50 K56 H57 A68Q49-A53 WeakPolarHBondContact O-CB 3.33Å; Q49-A53 PolarHBondContact O-N 3.46Å; E50-A53 PolarHBondContact O-N 2.9Å; A53-K56 PolarHBondContact O-N 2.82Å; A53-H57 PolarHBondContact O-CD2 2.92Å; A53-H57 PolarHBondContact O-N 3.31Å; A53-A68 HydrophobicContact CB-CB 4.19Å
54A93.7Very high94.2Very high9 Ų992 Ų927%0.07445%0.446CS..Hα-helixtrans-62-45.2175.900000111.9E50 L51 T52 H57 G58 A68 L69E50-A54 WeakPolarHBondContact O-CB 3.37Å; E50-A54 PolarHBondContact O-N 3.31Å; L51-A54 PolarHBondContact O-N 2.88Å; T52-A54 PolarHBondContact O-N 3.42Å; A54-H57 PolarHBondContact O-N 2.99Å; A54-G58 PolarHBondContact O-N 3.44Å; A54-A68 HydrophobicContact CB-CB 4.04Å; A54-L69 HydrophobicContact CB-CD2 3.81Å; A54-L69 HydrophobicContact CB-CG 3.92Å
55K95.7Very high93.8Very high157 Ų15789 Ų8968%0.68343%0.434SS*.Hα-helixtrans-61.9-43175.8-72.4175.4-179.7179.80111.9L51 T52 H57 G58L51-K55 HydrophobicContact CG-CD 4.5Å; L51-K55 WeakPolarHBondContact O-CG 3.19Å; L51-K55 PolarHBondContact O-N 3.41Å; T52-K55 PolarHBondContact O-N 3.04Å; K55-H57 PolarHBondContact O-N 3.44Å; K55-G58 PolarHBondContact O-N 2.8Å
56K94.7Very high93.5Very high181 Ų18187.4 Ų87.479%0.78743%0.431SS*.Hα-helixtrans-62.2-41.7178.6-177177.9179.2177.80112.5T52 A53T52-K56 WeakPolarHBondContact O-CB 3.36Å; T52-K56 PolarHBondContact O-N 3.45Å; A53-K56 PolarHBondContact O-N 2.82Å
57H91Very high93.3Very high70 Ų7089.4 Ų89.432%0.32444%0.441SS..Hα-helixtrans-75.9-36177.9-72.1-55.2000112.9A53 A54 K55 K60 N61 A64 A65A53-H57 PolarHBondContact O-CD2 2.92Å; A53-H57 PolarHBondContact O-N 3.31Å; A54-H57 PolarHBondContact O-N 2.99Å; K55-H57 PolarHBondContact O-N 3.44Å; H57-K60 PolarHBondContact O-N 3.24Å; H57-N61 HydrophobicContact CB-CB 4.31Å; H57-N61 PolarHBondContact O-N 2.82Å; H57-A64 HydrophobicContact CB-CB 4.25Å; H57-A65 HydrophobicContact CB-CB 3.94Å
58G85.4Confident93Very high31 Ų3188.3 Ų88.332%0.3244%0.436SS..THydrogen-bonded Turntrans50.3-144.6175.900000113.5A54 K55 A65A54-G58 PolarHBondContact O-N 3.44Å; K55-G58 PolarHBondContact O-N 2.8Å; G58-A65 WeakPolarHBondContact O-CB 3.45Å
59T86.4Confident92.9Very high136 Ų13685.8 Ų85.883%0.83443%0.426SS*.THydrogen-bonded Turntrans-77.9-22.7174.953.10000113N61T59-N61 VanDerWaalsContact C-N 3.27Å; T59-N61 PolarHBondContact O-N 2.85Å
60K88.6Confident92.9Very high207 Ų20788 Ų8890%0.943%0.434SS*.THydrogen-bonded Turntrans-60.9-35.5179.8-63-176.2-179-178.70112.4H57H57-K60 PolarHBondContact O-N 3.24Å
61N93.1Very high92.9Very high74 Ų7491.3 Ų91.340%0.39645%0.446SS..THydrogen-bonded Turntrans-132.974172.1-169.7-18.2000110.7H57 T59 R63 A64 A65H57-N61 HydrophobicContact CB-CB 4.31Å; H57-N61 PolarHBondContact O-N 2.82Å; T59-N61 VanDerWaalsContact C-N 3.27Å; T59-N61 PolarHBondContact O-N 2.85Å; N61-R63 VanDerWaalsContact C-N 3.26Å; N61-R63 PolarHBondContact O-N 3.33Å; N61-A64 HydrophobicContact CB-CB 4.3Å; N61-A64 PolarHBondContact O-N 3.36Å; N61-A64 WeakPolarHBondContact OD1-CB 3.47Å; N61-A64 PolarHBondContact OD1-N 3.07Å; N61-A64 VanDerWaalsContact OD1-N 3.16Å; N61-A65 PolarHBondContact O-N 3.05Å
62K90.1Very high93Very high147 Ų14790.1 Ų90.164%0.63944%0.438SS*.Hα-helixtrans-54.3-38.8-177.7-171.2176.4-178178.60113A65 L66K62-A65 PolarHBondContact O-N 2.82Å; K62-L66 HydrophobicContact CG-CD1 4Å; K62-L66 HydrophobicContact CG-CG 4.3Å; K62-L66 WeakPolarHBondContact O-CB 3.37Å; K62-L66 VanDerWaalsContact O-CG 3.25Å; K62-L66 WeakPolarHBondContact O-CG 3.44Å; K62-L66 PolarHBondContact O-N 2.78Å
63R91.4Very high93Very high194 Ų19492.3 Ų92.373%0.73244%0.44SS*.Hα-helixtrans-63.4-47.1-179.6-169.4178.575.9153.81.9111.6N61 L66 Q67N61-R63 VanDerWaalsContact C-N 3.26Å; N61-R63 PolarHBondContact O-N 3.33Å; R63-L66 PolarHBondContact O-N 2.82Å; R63-Q67 WeakPolarHBondContact O-CG 3.23Å; R63-Q67 PolarHBondContact O-N 2.98Å; R63-Q67 VanDerWaalsContact O-N 3.12Å
64A91.4Very high93.2Very high19 Ų1998.2 Ų98.216%0.15746%0.456CS..Hα-helixtrans-66.5-42.117800000111.7H57 N61 L66 Q67 A68H57-A64 HydrophobicContact CB-CB 4.25Å; N61-A64 HydrophobicContact CB-CB 4.3Å; N61-A64 PolarHBondContact O-N 3.36Å; N61-A64 WeakPolarHBondContact OD1-CB 3.47Å; N61-A64 PolarHBondContact OD1-N 3.07Å; N61-A64 VanDerWaalsContact OD1-N 3.16Å; A64-L66 PolarHBondContact O-N 3.16Å; A64-Q67 PolarHBondContact O-N 3.16Å; A64-A68 PolarHBondContact O-N 3.07Å
65A90.3Very high93.5Very high11 Ų11100.4 Ų100.49%0.09146%0.463CS..Hα-helixtrans-59.5-45.417600000112.1H57 G58 N61 K62 Q67 A68 L69H57-A65 HydrophobicContact CB-CB 3.94Å; G58-A65 WeakPolarHBondContact O-CB 3.45Å; N61-A65 PolarHBondContact O-N 3.05Å; K62-A65 PolarHBondContact O-N 2.82Å; A65-Q67 PolarHBondContact O-N 2.89Å; A65-A68 PolarHBondContact O-N 3.36Å; A65-L69 WeakPolarHBondContact O-CG 3.16Å; A65-L69 PolarHBondContact O-N 2.94Å
66L93.5Very high93.6Very high99 Ų9995.5 Ų95.552%0.51844%0.442SS..Hα-helixtrans-63.4-38.8177.3-73.9173.4000112.8K62 R63 A64 L69 K70K62-L66 HydrophobicContact CG-CD1 4Å; K62-L66 HydrophobicContact CG-CG 4.3Å; K62-L66 WeakPolarHBondContact O-CB 3.37Å; K62-L66 VanDerWaalsContact O-CG 3.25Å; K62-L66 WeakPolarHBondContact O-CG 3.44Å; K62-L66 PolarHBondContact O-N 2.78Å; R63-L66 PolarHBondContact O-N 2.82Å; A64-L66 PolarHBondContact O-N 3.16Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-K70 WeakPolarHBondContact O-CB 3.49Å; L66-K70 PolarHBondContact O-N 3.46Å
67Q93.7Very high93.8Very high100 Ų10093.8 Ų93.847%0.46744%0.435SS..Hα-helixtrans-64.8-41.4175.9-74.1-1761.300112.1R63 A64 A65 K70 R71R63-Q67 WeakPolarHBondContact O-CG 3.23Å; R63-Q67 PolarHBondContact O-N 2.98Å; R63-Q67 VanDerWaalsContact O-N 3.12Å; A64-Q67 PolarHBondContact O-N 3.16Å; A65-Q67 PolarHBondContact O-N 2.89Å; Q67-K70 PolarHBondContact O-N 3.32Å; Q67-R71 PolarHBondContact O-N 3.14Å
68A93.3Very high94.1Very high0 Ų094.4 Ų94.40%044%0.438CS..Hα-helixtrans-61.4-46174.500000111.4E50 A53 A54 A64 A65 K70 R71 K72E50-A68 WeakPolarHBondContact OE2-CA 3.41Å; E50-A68 WeakPolarHBondContact OE2-CB 3.38Å; A53-A68 HydrophobicContact CB-CB 4.19Å; A54-A68 HydrophobicContact CB-CB 4.04Å; A64-A68 PolarHBondContact O-N 3.07Å; A65-A68 PolarHBondContact O-N 3.36Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 3.28Å; A68-R71 PolarHBondContact O-N 3.37Å; A68-R71 VanDerWaalsContact O-N 3.16Å; A68-K72 PolarHBondContact O-N 3.15Å
69L96.6Very high94.7Very high76 Ų7694.1 Ų94.140%0.39843%0.429SS..Hα-helixtrans-61-37175-68.7175.9000112.9A54 A65 L66 K72 K73A54-L69 HydrophobicContact CB-CD2 3.81Å; A54-L69 HydrophobicContact CB-CG 3.92Å; A65-L69 WeakPolarHBondContact O-CG 3.16Å; A65-L69 PolarHBondContact O-N 2.94Å; L66-L69 PolarHBondContact O-N 3.46Å; L69-K72 WeakPolarHBondContact O-CB 3.48Å; L69-K72 PolarHBondContact O-N 3.22Å; L69-K73 WeakPolarHBondContact O-CB 3.44Å; L69-K73 WeakPolarHBondContact O-CG 3.49Å; L69-K73 PolarHBondContact O-N 3.36Å
70K96.8Very high95.3Very high134 Ų13490.7 Ų90.758%0.58342%0.415SS*.Hα-helixtrans-66-39175.6-170.5174.9-177175.10111.9L66 Q67 A68 R74L66-K70 WeakPolarHBondContact O-CB 3.49Å; L66-K70 PolarHBondContact O-N 3.46Å; Q67-K70 PolarHBondContact O-N 3.32Å; A68-K70 VanDerWaalsContact C-N 3.31Å; A68-K70 PolarHBondContact O-N 3.28Å; K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.48Å
71R97.6Very high95.8Very high94 Ų9486.5 Ų86.536%0.35540%0.398SS..Hα-helixtrans-66.7-46.2173.3-71.1-170.5-60.9-89.3-6111.2E50 Q67 A68 K73 R74 Y75E50-R71 HydrophobicContact CG-CB 4.04Å; E50-R71 IonicContact OE1-CZ 3.71Å; E50-R71 IonicContact OE1-NE 2.82Å; E50-R71 PolarHBondContact OE1-NE 2.89Å; E50-R71 IonicContact OE1-NH2 3.72Å; E50-R71 IonicContact OE2-CZ 3.34Å; E50-R71 IonicContact OE2-NE 3.06Å; E50-R71 PolarHBondContact OE2-NE 3.47Å; E50-R71 IonicContact OE2-NH2 2.78Å; E50-R71 PolarHBondContact OE2-NH2 2.92Å; Q67-R71 PolarHBondContact O-N 3.14Å; A68-R71 PolarHBondContact O-N 3.37Å; A68-R71 VanDerWaalsContact O-N 3.16Å; R71-K73 VanDerWaalsContact C-N 3.33Å; R71-K73 PolarHBondContact O-N 2.9Å; R71-R74 WeakPolarHBondContact O-CB 3.19Å; R71-R74 PolarHBondContact O-N 3.23Å; R71-Y75 HydrophobicContact CB-CE2 4.16Å; R71-Y75 VanDerWaalsContact O-CD2 3.3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.35Å; R71-Y75 PolarHBondContact O-N 3.47Å
72K98.2Very high96Very high35 Ų3583.5 Ų83.515%0.15238%0.382CS..Hα-helixtrans-50-52.3172.7-180173.8-175.6-79.50111.6I47 E50 L51 A68 L69 R74 Y75 E76I47-K72 HydrophobicContact CG2-CD 4.41Å; I47-K72 HydrophobicContact CG2-CG 4.07Å; E50-K72 HydrophobicContact CB-CB 3.91Å; L51-K72 HydrophobicContact CB-CD 4.11Å; L51-K72 HydrophobicContact CD1-CD 4.23Å; A68-K72 PolarHBondContact O-N 3.15Å; L69-K72 WeakPolarHBondContact O-CB 3.48Å; L69-K72 PolarHBondContact O-N 3.22Å; K72-R74 VanDerWaalsContact C-N 3.27Å; K72-R74 PolarHBondContact O-N 3.31Å; K72-Y75 PolarHBondContact O-N 3.03Å; K72-Y75 VanDerWaalsContact O-N 3.1Å; K72-E76 HydrophobicContact CG-CG 4.46Å; K72-E76 IonicContact NZ-OE1 2.76Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 WeakPolarHBondContact O-CG 3.19Å; K72-E76 PolarHBondContact O-N 3.33Å
73K98.2Very high96.4Very high136 Ų13679.4 Ų79.459%0.59137%0.367SS*.Hα-helixtrans-60.3-33.5178.9-76.4-78.5162.6-147.60113.5L69 R71 E76 K77L69-K73 WeakPolarHBondContact O-CB 3.44Å; L69-K73 WeakPolarHBondContact O-CG 3.49Å; L69-K73 PolarHBondContact O-N 3.36Å; R71-K73 VanDerWaalsContact C-N 3.33Å; R71-K73 PolarHBondContact O-N 2.9Å; K73-E76 VanDerWaalsContact CD-OE2 3.25Å; K73-E76 WeakPolarHBondContact CD-OE2 3.47Å; K73-E76 VanDerWaalsContact CE-OE2 3.29Å; K73-E76 WeakPolarHBondContact CE-OE2 3.24Å; K73-E76 IonicContact NZ-OE2 3.58Å; K73-E76 PolarHBondContact NZ-OE2 3.19Å; K73-K77 PolarHBondContact O-N 2.77Å
74R98.4Very high96.7Very high153 Ų15372 Ų7258%0.57735%0.351SS*.Hα-helixtrans-69.4-42.4174.3-72.1173.3176.3-158.9-4.1111.6K70 R71 K72 K77 Q78K70-R74 WeakPolarHBondContact O-CG 3.41Å; K70-R74 PolarHBondContact O-N 3.48Å; R71-R74 WeakPolarHBondContact O-CB 3.19Å; R71-R74 PolarHBondContact O-N 3.23Å; K72-R74 VanDerWaalsContact C-N 3.27Å; K72-R74 PolarHBondContact O-N 3.31Å; R74-K77 PolarHBondContact O-N 3.38Å; R74-Q78 WeakPolarHBondContact O-CG 3.38Å; R74-Q78 PolarHBondContact O-N 2.88Å; R74-Q78 VanDerWaalsContact O-N 3.12Å
75Y98.6Very high97Very high55 Ų5574.3 Ų74.322%0.21636%0.364CS..Hα-helixtrans-65.9-41.6176-62.1-45.3000111.8L43 K46 E50 R71 K72 K77 Q78 L79L43-Y75 HydrophobicContact CD2-CD1 3.74Å; L43-Y75 HydrophobicContact CD2-CG 4.33Å; K46-Y75 HydrophobicContact CB-CD2 3.86Å; K46-Y75 HydrophobicContact CB-CE2 3.94Å; K46-Y75 HydrophobicContact CB-CG 4.23Å; E50-Y75 HydrophobicContact CG-CD2 4.08Å; E50-Y75 HydrophobicContact CG-CE2 3.82Å; R71-Y75 HydrophobicContact CB-CE2 4.16Å; R71-Y75 VanDerWaalsContact O-CD2 3.3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.35Å; R71-Y75 PolarHBondContact O-N 3.47Å; K72-Y75 PolarHBondContact O-N 3.03Å; K72-Y75 VanDerWaalsContact O-N 3.1Å; Y75-K77 VanDerWaalsContact C-N 3.29Å; Y75-K77 PolarHBondContact O-N 3.07Å; Y75-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 VanDerWaalsContact O-N 3.12Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 PolarHBondContact O-N 3.36Å
76E98.5Very high97.4Very high53 Ų5374.3 Ų74.325%0.24836%0.362CS..Hα-helixtrans-57.5-41.4173.5-72.2176162.900112.3I47 K72 K73 L79 A80I47-E76 HydrophobicContact CD1-CB 4.49Å; I47-E76 HydrophobicContact CD1-CG 3.89Å; I47-E76 HydrophobicContact CG1-CG 4.22Å; K72-E76 HydrophobicContact CG-CG 4.46Å; K72-E76 IonicContact NZ-OE1 2.76Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 WeakPolarHBondContact O-CG 3.19Å; K72-E76 PolarHBondContact O-N 3.33Å; K73-E76 VanDerWaalsContact CD-OE2 3.25Å; K73-E76 WeakPolarHBondContact CD-OE2 3.47Å; K73-E76 VanDerWaalsContact CE-OE2 3.29Å; K73-E76 WeakPolarHBondContact CE-OE2 3.24Å; K73-E76 IonicContact NZ-OE2 3.58Å; K73-E76 PolarHBondContact NZ-OE2 3.19Å; E76-L79 PolarHBondContact O-N 3.03Å; E76-A80 PolarHBondContact O-N 3.15Å
77K98.4Very high97.6Very high146 Ų14672.9 Ų72.964%0.63536%0.36SS*.Hα-helixtrans-64.7-41.2176.5-174.1179.3179.1179.70111.7K73 R74 Y75 L79 Q81K73-K77 PolarHBondContact O-N 2.77Å; R74-K77 PolarHBondContact O-N 3.38Å; Y75-K77 VanDerWaalsContact C-N 3.29Å; Y75-K77 PolarHBondContact O-N 3.07Å; K77-L79 VanDerWaalsContact C-N 3.34Å; K77-Q81 WeakPolarHBondContact O-CG 3.42Å; K77-Q81 PolarHBondContact O-N 3.47Å
78Q98.1Very high97.8Very high83 Ų8371.7 Ų71.739%0.38836%0.36SS..Hα-helixtrans-66.9-38.8176.7-70.3175.728.300111.4L43 R74 Y75 Q81 I82L43-Q78 HydrophobicContact CD1-CB 3.72Å; L43-Q78 HydrophobicContact CD2-CB 4.47Å; R74-Q78 WeakPolarHBondContact O-CG 3.38Å; R74-Q78 PolarHBondContact O-N 2.88Å; R74-Q78 VanDerWaalsContact O-N 3.12Å; Y75-Q78 PolarHBondContact O-N 3.24Å; Y75-Q78 VanDerWaalsContact O-N 3.12Å; Q78-Q81 PolarHBondContact O-N 3.26Å; Q78-I82 WeakPolarHBondContact O-CG1 3.45Å; Q78-I82 PolarHBondContact O-N 3.36Å
79L98.6Very high98Very high24 Ų2472.9 Ų72.913%0.12637%0.366CS..Hα-helixtrans-59.8-53.6177.1-17962.4000110.3Q40 L43 E44 I47 Y75 E76 K77 Q81 I82 D83Q40-L79 HydrophobicContact CB-CD1 4.21Å; Q40-L79 HydrophobicContact CG-CD1 3.33Å; L43-L79 HydrophobicContact CB-CB 4.48Å; L43-L79 HydrophobicContact CB-CD1 4.31Å; L43-L79 HydrophobicContact CD1-CB 4.29Å; E44-L79 HydrophobicContact CG-CD1 4.13Å; E44-L79 HydrophobicContact CG-CD2 3.93Å; I47-L79 HydrophobicContact CD1-CB 4.32Å; I47-L79 HydrophobicContact CD1-CD2 3.68Å; Y75-L79 WeakPolarHBondContact O-CB 3.49Å; Y75-L79 PolarHBondContact O-N 3.36Å; E76-L79 PolarHBondContact O-N 3.03Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 3.37Å; L79-Q81 VanDerWaalsContact O-N 3.12Å; L79-I82 CarbonylContact O-C 3.53Å; L79-I82 WeakPolarHBondContact O-CA 3.44Å; L79-I82 WeakPolarHBondContact O-CB 3.36Å; L79-I82 PolarHBondContact O-N 3.43Å; L79-D83 VanDerWaalsContact O-CG 3.23Å; L79-D83 PolarHBondContact O-N 3.02Å
80A98.5Very high98.1Very high65 Ų6572.9 Ų72.954%0.53736%0.364SS..Hα-helixtrans-57.8-32.7177.900000113.8E76 G84E76-A80 PolarHBondContact O-N 3.15Å; A80-G84 PolarHBondContact O-N 2.89Å
81Q98Very high98.1Very high118 Ų11873.2 Ų73.255%0.55137%0.365SS*.Hα-helixtrans-70-39.4173.9-72.9178.5-39.200112.3K77 Q78 L79 T85K77-Q81 WeakPolarHBondContact O-CG 3.42Å; K77-Q81 PolarHBondContact O-N 3.47Å; Q78-Q81 PolarHBondContact O-N 3.26Å; L79-Q81 PolarHBondContact O-N 3.37Å; L79-Q81 VanDerWaalsContact O-N 3.12Å; Q81-T85 WeakPolarHBondContact O-CB 3.49Å; Q81-T85 PolarHBondContact O-N 3.09Å; Q81-T85 PolarHBondContact O-OG1 3.45Å
82I98.2Very high98.2Very high11 Ų1173.2 Ų73.26%0.05637%0.37CS..Hα-helixtrans-66.6-47176.1-71.8174.7000110L36 K39 Q40 L43 Q78 L79 G84 T85 L86L36-I82 HydrophobicContact CB-CG2 4.28Å; L36-I82 HydrophobicContact CD2-CG2 4.28Å; K39-I82 HydrophobicContact CB-CD1 4.06Å; K39-I82 HydrophobicContact CD-CD1 3.5Å; K39-I82 HydrophobicContact CG-CD1 3.53Å; Q40-I82 HydrophobicContact CB-CG2 4.22Å; L43-I82 HydrophobicContact CD1-CD1 3.54Å; Q78-I82 WeakPolarHBondContact O-CG1 3.45Å; Q78-I82 PolarHBondContact O-N 3.36Å; L79-I82 CarbonylContact O-C 3.53Å; L79-I82 WeakPolarHBondContact O-CA 3.44Å; L79-I82 WeakPolarHBondContact O-CB 3.36Å; L79-I82 PolarHBondContact O-N 3.43Å; I82-G84 VanDerWaalsContact C-N 3.31Å; I82-G84 PolarHBondContact O-N 3.43Å; I82-T85 CarbonylContact O-C 3.54Å; I82-T85 WeakPolarHBondContact O-CA 3.37Å; I82-T85 WeakPolarHBondContact O-CB 3.41Å; I82-T85 PolarHBondContact O-N 3.47Å; I82-L86 WeakPolarHBondContact O-CB 3.4Å; I82-L86 PolarHBondContact O-N 2.93Å
83D98.3Very high98.1Very high61 Ų6173.7 Ų73.733%0.32637%0.37SS..Hα-helixtrans-57.4-45.5179.8-56.9-20.5000111.1Q40 L79 T85 L86 S87Q40-D83 WeakPolarHBondContact CG-OD1 3.42Å; L79-D83 VanDerWaalsContact O-CG 3.23Å; L79-D83 PolarHBondContact O-N 3.02Å; D83-T85 VanDerWaalsContact C-N 3.34Å; D83-T85 PolarHBondContact O-N 3.19Å; D83-L86 PolarHBondContact O-N 2.84Å; D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 3.48Å
84G97.9Very high98.1Very high39 Ų3971.9 Ų71.940%0.40236%0.364SS..Hα-helixtrans-65.4-35.517600000113.4A80 I82 T88A80-G84 PolarHBondContact O-N 2.89Å; I82-G84 VanDerWaalsContact C-N 3.31Å; I82-G84 PolarHBondContact O-N 3.43Å; G84-T88 PolarHBondContact O-N 2.91Å; G84-T88 PolarHBondContact O-OG1 3.15Å
85T97.5Very high98.1Very high68 Ų6866.7 Ų66.742%0.41735%0.354SS..Hα-helixtrans-70.2-43.4175.9-540000110.8L36 Q81 I82 D83 T88 I89L36-T85 HydrophobicContact CD1-CG2 3.97Å; Q81-T85 WeakPolarHBondContact O-CB 3.49Å; Q81-T85 PolarHBondContact O-N 3.09Å; Q81-T85 PolarHBondContact O-OG1 3.45Å; I82-T85 CarbonylContact O-C 3.54Å; I82-T85 WeakPolarHBondContact O-CA 3.37Å; I82-T85 WeakPolarHBondContact O-CB 3.41Å; I82-T85 PolarHBondContact O-N 3.47Å; D83-T85 VanDerWaalsContact C-N 3.34Å; D83-T85 PolarHBondContact O-N 3.19Å; T85-T88 WeakPolarHBondContact O-CB 3.3Å; T85-T88 PolarHBondContact O-N 2.96Å; T85-I89 HydrophobicContact CG2-CG1 4.47Å; T85-I89 WeakPolarHBondContact O-CG1 3.46Å; T85-I89 PolarHBondContact O-N 3.33Å
86L97.8Very high97.9Very high11 Ų1166.4 Ų66.46%0.05836%0.356CS..Hα-helixtrans-59.6-50.7179179.963.3000110.2E33 L36 I82 D83 T88 I89 E90E33-L86 HydrophobicContact CB-CD1 3.99Å; E33-L86 HydrophobicContact CG-CD1 4.07Å; L36-L86 HydrophobicContact CB-CD1 4.07Å; L36-L86 HydrophobicContact CD1-CB 4.48Å; L36-L86 HydrophobicContact CD1-CD1 4.48Å; I82-L86 WeakPolarHBondContact O-CB 3.4Å; I82-L86 PolarHBondContact O-N 2.93Å; D83-L86 PolarHBondContact O-N 2.84Å; L86-T88 PolarHBondContact O-N 3.24Å; L86-I89 PolarHBondContact O-N 2.85Å; L86-E90 HydrophobicContact CD1-CG 4.35Å; L86-E90 HydrophobicContact CG-CG 4.42Å; L86-E90 WeakPolarHBondContact O-CG 3.44Å; L86-E90 PolarHBondContact O-N 3.43Å
87S98.3Very high97.8Very high69 Ų6966.1 Ų66.148%0.48336%0.355SS..Hα-helixtrans-57.3-37.5175.8175.30000112.8D83 F91D83-S87 WeakPolarHBondContact O-CB 3.43Å; D83-S87 PolarHBondContact O-N 3.48Å; S87-F91 WeakPolarHBondContact O-CB 3.39Å; S87-F91 PolarHBondContact O-N 3.17Å
88T98.1Very high97.7Very high75 Ų7563.8 Ų63.846%0.4635%0.349SS..Hα-helixtrans-66.2-41.1175.6-57.10000111.7G84 T85 L86 Q92G84-T88 PolarHBondContact O-N 2.91Å; G84-T88 PolarHBondContact O-OG1 3.15Å; T85-T88 WeakPolarHBondContact O-CB 3.3Å; T85-T88 PolarHBondContact O-N 2.96Å; L86-T88 PolarHBondContact O-N 3.24Å; T88-Q92 WeakPolarHBondContact O-CB 3.47Å; T88-Q92 VanDerWaalsContact O-CG 3.26Å; T88-Q92 WeakPolarHBondContact O-CG 3.39Å; T88-Q92 PolarHBondContact O-N 2.88Å
89I98Very high97.6Very high25 Ų2562 Ų6213%0.12835%0.349CS..Hα-helixtrans-68.6-43.7179-66.9-67.9000110.8L29 E33 L36 T85 L86 F91 Q92 R93L29-I89 HydrophobicContact CB-CG2 4.15Å; L29-I89 HydrophobicContact CD2-CD1 3.91Å; L29-I89 HydrophobicContact CD2-CG2 3.87Å; E33-I89 HydrophobicContact CG-CB 4.4Å; E33-I89 HydrophobicContact CG-CG2 3.51Å; L36-I89 HydrophobicContact CD1-CG1 4.38Å; T85-I89 HydrophobicContact CG2-CG1 4.47Å; T85-I89 WeakPolarHBondContact O-CG1 3.46Å; T85-I89 PolarHBondContact O-N 3.33Å; L86-I89 PolarHBondContact O-N 2.85Å; I89-F91 PolarHBondContact O-N 3.25Å; I89-Q92 WeakPolarHBondContact O-CB 3.14Å; I89-Q92 PolarHBondContact O-N 3.44Å; I89-Q92 VanDerWaalsContact O-N 3.16Å; I89-R93 PolarHBondContact O-N 3.43Å
90E98.1Very high97.3Very high75 Ų7562.6 Ų62.635%0.3535%0.352SS..Hα-helixtrans-58.3-49.1176.5-71.3170.9159.100111E33 L86 Q92 R93 E94E33-E90 HydrophobicContact CG-CG 4.22Å; E33-E90 WeakPolarHBondContact OE1-CA 3.34Å; L86-E90 HydrophobicContact CD1-CG 4.35Å; L86-E90 HydrophobicContact CG-CG 4.42Å; L86-E90 WeakPolarHBondContact O-CG 3.44Å; L86-E90 PolarHBondContact O-N 3.43Å; E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 3.18Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 2.87Å; E90-R93 VanDerWaalsContact O-N 3.15Å; E90-E94 WeakPolarHBondContact O-CG 3.46Å; E90-E94 PolarHBondContact O-N 3.43Å
91F97.9Very high97.2Very high141 Ų14163.2 Ų63.262%0.61835%0.349SS*.Hα-helixtrans-58.7-41.7175.5177-100.5000112.2S87 I89 A95S87-F91 WeakPolarHBondContact O-CB 3.39Å; S87-F91 PolarHBondContact O-N 3.17Å; I89-F91 PolarHBondContact O-N 3.25Å; F91-A95 VanDerWaalsContact O-CB 3.31Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 2.91Å
92Q97.7Very high97Very high95 Ų9562.3 Ų62.344%0.44435%0.348SS..Hα-helixtrans-66.2-38.5176.8-76.4176.1-8.200112.5L29 T88 I89 E90 A95 L96L29-Q92 HydrophobicContact CD1-CB 4.43Å; T88-Q92 WeakPolarHBondContact O-CB 3.47Å; T88-Q92 VanDerWaalsContact O-CG 3.26Å; T88-Q92 WeakPolarHBondContact O-CG 3.39Å; T88-Q92 PolarHBondContact O-N 2.88Å; I89-Q92 WeakPolarHBondContact O-CB 3.14Å; I89-Q92 PolarHBondContact O-N 3.44Å; I89-Q92 VanDerWaalsContact O-N 3.16Å; E90-Q92 VanDerWaalsContact C-N 3.3Å; E90-Q92 PolarHBondContact O-N 3.18Å; Q92-A95 PolarHBondContact O-N 3.38Å; Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 PolarHBondContact O-N 3.14Å
93R97.7Very high96.8Very high44 Ų4465.8 Ų65.817%0.16637%0.37CS..Hα-helixtrans-63-48.9176.3-178-175.561.580.75.9110.4I26 L29 R30 E33 I89 E90 L96 E97I26-R93 HydrophobicContact CG2-CG 4.21Å; L29-R93 HydrophobicContact CB-CB 4.1Å; L29-R93 HydrophobicContact CB-CG 4.4Å; L29-R93 HydrophobicContact CD1-CB 4.07Å; R30-R93 VanDerWaalsContact CG-CD 3.43Å; E33-R93 WeakPolarHBondContact OE1-CB 3.37Å; E33-R93 VanDerWaalsContact OE1-CD 3.25Å; E33-R93 WeakPolarHBondContact OE1-CD 3.33Å; E33-R93 IonicContact OE1-NE 2.79Å; E33-R93 PolarHBondContact OE1-NE 2.98Å; E33-R93 IonicContact OE2-NE 3.03Å; E33-R93 PolarHBondContact OE2-NE 3.45Å; I89-R93 PolarHBondContact O-N 3.43Å; E90-R93 WeakPolarHBondContact O-CB 3.28Å; E90-R93 PolarHBondContact O-N 2.87Å; E90-R93 VanDerWaalsContact O-N 3.15Å; R93-L96 PolarHBondContact O-N 2.9Å; R93-E97 IonicContact CZ-OE1 3.77Å; R93-E97 IonicContact NH1-OE1 3.84Å; R93-E97 PolarHBondContact NH1-OE1 3.18Å; R93-E97 IonicContact NH1-OE2 3.94Å; R93-E97 PolarHBondContact NH1-OE2 2.9Å; R93-E97 WeakPolarHBondContact O-CG 3.31Å; R93-E97 PolarHBondContact O-N 3.31Å
94E97.8Very high96.6Very high98 Ų9866.6 Ų66.646%0.45837%0.372SS..Hα-helixtrans-61.1-44.7177.6-71.1177.3-177.500111.7E90 L96 E97 N98E90-E94 WeakPolarHBondContact O-CG 3.46Å; E90-E94 PolarHBondContact O-N 3.43Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.37Å; E94-E97 PolarHBondContact O-N 2.96Å; E94-N98 WeakPolarHBondContact O-CB 3.44Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3.3Å
95A97.1Very high96.6Very high45 Ų4568.2 Ų68.237%0.37237%0.374SS..Hα-helixtrans-58.7-39.7175.700000112F91 Q92 A99F91-A95 VanDerWaalsContact O-CB 3.31Å; F91-A95 WeakPolarHBondContact O-CB 3.46Å; F91-A95 PolarHBondContact O-N 2.91Å; Q92-A95 PolarHBondContact O-N 3.38Å; A95-A99 WeakPolarHBondContact O-CB 3.32Å; A95-A99 PolarHBondContact O-N 3.32Å
96L96.2Very high96.6Very high49 Ų4970.4 Ų70.426%0.25738%0.382SS..Hα-helixtrans-73.6-37.8178.7-168.666.1000112.6A25 I26 L29 Q92 R93 E94 A99 N100A25-L96 HydrophobicContact CB-CD2 3.47Å; A25-L96 VanDerWaalsContact CB-CD2 3.47Å; I26-L96 HydrophobicContact CD1-CG 4.35Å; I26-L96 HydrophobicContact CG1-CB 4.19Å; I26-L96 HydrophobicContact CG1-CD2 3.65Å; I26-L96 HydrophobicContact CG1-CG 3.88Å; L29-L96 HydrophobicContact CD1-CD2 4.23Å; Q92-L96 WeakPolarHBondContact O-CB 3.38Å; Q92-L96 PolarHBondContact O-N 3.14Å; R93-L96 PolarHBondContact O-N 2.9Å; E94-L96 VanDerWaalsContact C-N 3.26Å; E94-L96 PolarHBondContact O-N 3.37Å; L96-A99 PolarHBondContact O-N 3.49Å; L96-N100 WeakPolarHBondContact O-CB 3.36Å; L96-N100 PolarHBondContact O-N 3.26Å
97E96Very high96.5Very high46 Ų4674.7 Ų74.722%0.21540%0.4CS..Hα-helixtrans-61.2-45.5172.4-77174.1-178.600110.8I26 R30 R93 E94 N100 T101I26-E97 HydrophobicContact CD1-CB 4.47Å; I26-E97 HydrophobicContact CD1-CG 3.66Å; I26-E97 HydrophobicContact CG1-CG 4Å; I26-E97 HydrophobicContact CG2-CG 4.16Å; R30-E97 IonicContact CZ-OE1 2.99Å; R30-E97 IonicContact NE-OE1 2.74Å; R30-E97 IonicContact NH2-OE1 2.61Å; R30-E97 PolarHBondContact NH2-OE1 3.44Å; R93-E97 IonicContact CZ-OE1 3.77Å; R93-E97 IonicContact NH1-OE1 3.84Å; R93-E97 PolarHBondContact NH1-OE1 3.18Å; R93-E97 IonicContact NH1-OE2 3.94Å; R93-E97 PolarHBondContact NH1-OE2 2.9Å; R93-E97 WeakPolarHBondContact O-CG 3.31Å; R93-E97 PolarHBondContact O-N 3.31Å; E94-E97 PolarHBondContact O-N 2.96Å; E97-N100 PolarHBondContact O-N 2.85Å; E97-T101 PolarHBondContact O-N 3.29Å; E97-T101 PolarHBondContact O-OG1 2.94Å; E97-T101 VanDerWaalsContact O-OG1 3.07Å
98N96.6Very high96.5Very high98 Ų9876 Ų7652%0.52440%0.402SS..Hα-helixtrans-63.1-45.4175-70.4-23.4000111.7E94 N100 T101 N102E94-N98 WeakPolarHBondContact O-CB 3.44Å; E94-N98 VanDerWaalsContact O-CG 3.24Å; E94-N98 PolarHBondContact O-N 3.17Å; E94-N98 PolarHBondContact O-ND2 3.3Å; N98-N100 VanDerWaalsContact C-N 3.3Å; N98-N100 PolarHBondContact O-N 3.35Å; N98-T101 PolarHBondContact O-N 2.92Å; N98-N102 WeakPolarHBondContact O-CB 3.5Å; N98-N102 PolarHBondContact O-N 3.42Å; N98-N102 PolarHBondContact O-ND2 3.19Å; N98-N102 PolarHBondContact O-OD1 2.92Å
99A94.9Very high96.4Very high46 Ų4678.1 Ų78.138%0.3841%0.408SS..Hα-helixtrans-60.5-40176.600000112.2A95 L96 T103A95-A99 WeakPolarHBondContact O-CB 3.32Å; A95-A99 PolarHBondContact O-N 3.32Å; L96-A99 PolarHBondContact O-N 3.49Å; A99-T103 WeakPolarHBondContact O-CB 3.41Å; A99-T103 PolarHBondContact O-N 3.49Å; A99-T103 PolarHBondContact O-OG1 3Å
100N93Very high96.3Very high35 Ų3578.5 Ų78.519%0.18742%0.419CS..Hα-helixtrans-66.1-45.3176.5-174.772.9000111.7P22 Q23 L96 E97 N98 T103 E104P22-N100 HydrophobicContact CB-CB 4.05Å; P22-N100 WeakPolarHBondContact CB-OD1 3.41Å; Q23-N100 PolarHBondContact NE2-ND2 2.78Å; Q23-N100 PolarHBondContact NE2-OD1 3.39Å; L96-N100 WeakPolarHBondContact O-CB 3.36Å; L96-N100 PolarHBondContact O-N 3.26Å; E97-N100 PolarHBondContact O-N 2.85Å; N98-N100 VanDerWaalsContact C-N 3.3Å; N98-N100 PolarHBondContact O-N 3.35Å; N100-T103 WeakPolarHBondContact O-CB 3.48Å; N100-T103 PolarHBondContact O-N 2.93Å; N100-E104 PolarHBondContact O-N 2.9Å; N100-E104 VanDerWaalsContact O-N 3.11Å
101T95.1Very high96.2Very high79 Ų7981.6 Ų81.649%0.48543%0.428SS..Hα-helixtrans-60.6-46.7175.5-60.50000111.5E97 N98 T103 E104 V105E97-T101 PolarHBondContact O-N 3.29Å; E97-T101 PolarHBondContact O-OG1 2.94Å; E97-T101 VanDerWaalsContact O-OG1 3.07Å; N98-T101 PolarHBondContact O-N 2.92Å; T101-T103 VanDerWaalsContact C-N 3.26Å; T101-T103 PolarHBondContact O-N 3.11Å; T101-E104 PolarHBondContact O-N 2.88Å; T101-E104 VanDerWaalsContact O-N 3.14Å; T101-V105 HydrophobicContact CG2-CG2 4.48Å; T101-V105 WeakPolarHBondContact O-CG2 3.37Å; T101-V105 PolarHBondContact O-N 3.07Å
102N94.7Very high96.1Very high98 Ų9877.3 Ų77.352%0.52442%0.418SS..Hα-helixtrans-60.5-37.6177.6-69.5-9000111.7N98 V105 L106N98-N102 WeakPolarHBondContact O-CB 3.5Å; N98-N102 PolarHBondContact O-N 3.42Å; N98-N102 PolarHBondContact O-ND2 3.19Å; N98-N102 PolarHBondContact O-OD1 2.92Å; N102-V105 PolarHBondContact O-N 2.99Å; N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 VanDerWaalsContact O-CG 3.28Å; N102-L106 WeakPolarHBondContact O-CG 3.39Å; N102-L106 PolarHBondContact O-N 3.33Å
103T95.2Very high96Very high85 Ų8575.1 Ų75.152%0.52142%0.416SS..Hα-helixtrans-63.1-43.6175.7-58.80000111.6A99 N100 T101 L106 K107A99-T103 WeakPolarHBondContact O-CB 3.41Å; A99-T103 PolarHBondContact O-N 3.49Å; A99-T103 PolarHBondContact O-OG1 3Å; N100-T103 WeakPolarHBondContact O-CB 3.48Å; N100-T103 PolarHBondContact O-N 2.93Å; T101-T103 VanDerWaalsContact C-N 3.26Å; T101-T103 PolarHBondContact O-N 3.11Å; T103-L106 PolarHBondContact O-N 3.28Å; T103-K107 WeakPolarHBondContact O-CB 3.47Å; T103-K107 PolarHBondContact O-N 2.86Å
104E94Very high95.9Very high78 Ų7880 Ų8036%0.36444%0.439SS..Hα-helixtrans-67.5-39176.2-72.6-61.5147.300112.2N100 T101 K107 N108N100-E104 PolarHBondContact O-N 2.9Å; N100-E104 VanDerWaalsContact O-N 3.11Å; T101-E104 PolarHBondContact O-N 2.88Å; T101-E104 VanDerWaalsContact O-N 3.14Å; E104-K107 PolarHBondContact O-N 2.98Å; E104-K107 IonicContact OE1-NZ 3.21Å; E104-K107 IonicContact OE2-NZ 3.6Å; E104-N108 WeakPolarHBondContact O-CB 3.48Å; E104-N108 VanDerWaalsContact O-CG 3.26Å; E104-N108 PolarHBondContact O-N 3.33Å; E104-N108 PolarHBondContact O-ND2 3.4Å
105V97.2Very high95.7Very high72 Ų7278.3 Ų78.344%0.43644%0.441SS..Hα-helixtrans-58.7-50.2172.9171.30000110.5T101 N102 K107 N108 M109T101-V105 HydrophobicContact CG2-CG2 4.48Å; T101-V105 WeakPolarHBondContact O-CG2 3.37Å; T101-V105 PolarHBondContact O-N 3.07Å; N102-V105 PolarHBondContact O-N 2.99Å; V105-K107 VanDerWaalsContact C-N 3.3Å; V105-K107 PolarHBondContact O-N 3.03Å; V105-N108 PolarHBondContact O-N 2.95Å; V105-M109 HydrophobicContact CG1-CG 4.41Å; V105-M109 HydrophobicContact CG1-SD 4Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 2.79Å
106L97Very high95.4Very high114 Ų11481.5 Ų81.560%0.59745%0.45SS*.Hα-helixtrans-60.6-39.8178.4-73.8172.1000112.3N102 T103 M109 G110N102-L106 WeakPolarHBondContact O-CB 3.35Å; N102-L106 VanDerWaalsContact O-CG 3.28Å; N102-L106 WeakPolarHBondContact O-CG 3.39Å; N102-L106 PolarHBondContact O-N 3.33Å; T103-L106 PolarHBondContact O-N 3.28Å; L106-M109 PolarHBondContact O-N 2.76Å; L106-G110 PolarHBondContact O-N 3.05Å
107K96.6Very high95.1Very high101 Ų10185.5 Ų85.544%0.43947%0.465SS..Hα-helixtrans-62-46.3175.4-176.5-172.1178.2-170.20111.2T103 E104 V105 G110 Y111T103-K107 WeakPolarHBondContact O-CB 3.47Å; T103-K107 PolarHBondContact O-N 2.86Å; E104-K107 PolarHBondContact O-N 2.98Å; E104-K107 IonicContact OE1-NZ 3.21Å; E104-K107 IonicContact OE2-NZ 3.6Å; V105-K107 VanDerWaalsContact C-N 3.3Å; V105-K107 PolarHBondContact O-N 3.03Å; K107-G110 PolarHBondContact O-N 3.36Å; K107-Y111 HydrophobicContact CD-CE2 4.27Å; K107-Y111 HydrophobicContact CG-CD2 4.06Å; K107-Y111 HydrophobicContact CG-CE2 3.66Å; K107-Y111 WeakPolarHBondContact O-CD2 3.36Å; K107-Y111 PolarHBondContact O-N 3.05Å
108N97.5Very high94.7Very high98 Ų9885.5 Ų85.552%0.52447%0.473SS..Hα-helixtrans-64.2-41.2177.5-70.1-21.3000112.1E104 V105 G110 Y111 A112E104-N108 WeakPolarHBondContact O-CB 3.48Å; E104-N108 VanDerWaalsContact O-CG 3.26Å; E104-N108 PolarHBondContact O-N 3.33Å; E104-N108 PolarHBondContact O-ND2 3.4Å; V105-N108 PolarHBondContact O-N 2.95Å; N108-G110 VanDerWaalsContact C-N 3.3Å; N108-G110 PolarHBondContact O-N 3.16Å; N108-Y111 PolarHBondContact O-N 3.49Å; N108-A112 PolarHBondContact O-N 2.86Å
109M95.4Very high94.1Very high119 Ų11983.1 Ų83.159%0.58647%0.468SS*.Hα-helixtrans-60.4-41.2171.9-69.4176.475.400111.5V105 L106 Y111 A112 A113V105-M109 HydrophobicContact CG1-CG 4.41Å; V105-M109 HydrophobicContact CG1-SD 4Å; V105-M109 WeakPolarHBondContact O-CG 3.44Å; V105-M109 PolarHBondContact O-N 2.79Å; L106-M109 PolarHBondContact O-N 2.76Å; M109-Y111 VanDerWaalsContact C-N 3.33Å; M109-Y111 PolarHBondContact O-N 3.15Å; M109-A112 PolarHBondContact O-N 2.84Å; M109-A113 WeakPolarHBondContact O-CB 3.17Å; M109-A113 PolarHBondContact O-N 3.34Å
110G96.6Very high93.6Very high33 Ų3386.8 Ų86.834%0.3448%0.477SS..Hα-helixtrans-61.7-37.8174.300000113.1L106 K107 N108 K114L106-G110 PolarHBondContact O-N 3.05Å; K107-G110 PolarHBondContact O-N 3.36Å; N108-G110 VanDerWaalsContact C-N 3.3Å; N108-G110 PolarHBondContact O-N 3.16Å; G110-K114 VanDerWaalsContact O-CG 3.3Å; G110-K114 WeakPolarHBondContact O-CG 3.25Å; G110-K114 PolarHBondContact O-N 3.14Å; G110-K114 VanDerWaalsContact O-N 3.15Å
111Y96.1Very high92.9Very high140 Ų14090.2 Ų90.255%0.54950%0.495SS..Hα-helixtrans-68-43.6172.2-77.5-69.6000112.3K107 N108 M109 A113 K114 A115K107-Y111 HydrophobicContact CD-CE2 4.27Å; K107-Y111 HydrophobicContact CG-CD2 4.06Å; K107-Y111 HydrophobicContact CG-CE2 3.66Å; K107-Y111 WeakPolarHBondContact O-CD2 3.36Å; K107-Y111 PolarHBondContact O-N 3.05Å; N108-Y111 PolarHBondContact O-N 3.49Å; M109-Y111 VanDerWaalsContact C-N 3.33Å; M109-Y111 PolarHBondContact O-N 3.15Å; Y111-A113 PolarHBondContact O-N 3Å; Y111-K114 PolarHBondContact O-N 2.98Å; Y111-A115 PolarHBondContact O-N 3.21Å
112A95.5Very high91.6Very high50 Ų5092.8 Ų92.841%0.41351%0.505SS..Hα-helixtrans-60.8-43.8176.500000111.7N108 M109 K114 A115 M116N108-A112 PolarHBondContact O-N 2.86Å; M109-A112 PolarHBondContact O-N 2.84Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.39Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A112-M116 WeakPolarHBondContact O-CG 3.44Å; A112-M116 PolarHBondContact O-N 3.46Å
113A95.5Very high90.3Very high49 Ų4994.3 Ų94.341%0.40551%0.511SS..Hα-helixtrans-60.8-41.2175.400000112.3M109 Y111 M116 K117M109-A113 WeakPolarHBondContact O-CB 3.17Å; M109-A113 PolarHBondContact O-N 3.34Å; Y111-A113 PolarHBondContact O-N 3Å; A113-M116 PolarHBondContact O-N 3.22Å; A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 3.23Å
114K95.2Very high88.9Confident147 Ų14793.3 Ų93.364%0.63950%0.503SS*.Hα-helixtrans-64.8-39.7174-73173-175.6179.30112.2G110 Y111 A112 K117 A118G110-K114 VanDerWaalsContact O-CG 3.3Å; G110-K114 WeakPolarHBondContact O-CG 3.25Å; G110-K114 PolarHBondContact O-N 3.14Å; G110-K114 VanDerWaalsContact O-N 3.15Å; Y111-K114 PolarHBondContact O-N 2.98Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.39Å; K114-K117 PolarHBondContact O-N 3.46Å; K114-A118 WeakPolarHBondContact O-CB 3.43Å; K114-A118 PolarHBondContact O-N 3.48Å
115A93.6Very high87.8Confident62 Ų6295.2 Ų95.251%0.51251%0.514SS..Hα-helixtrans-66.2-43.4176.700000111.7Y111 A112 A118 A119Y111-A115 PolarHBondContact O-N 3.21Å; A112-A115 PolarHBondContact O-N 2.85Å; A112-A115 VanDerWaalsContact O-N 3.17Å; A115-A118 PolarHBondContact O-N 3.16Å; A115-A119 WeakPolarHBondContact O-CB 3.48Å; A115-A119 PolarHBondContact O-N 2.81Å
116M91.5Very high86.6Confident113 Ų11397.1 Ų97.156%0.55752%0.522SS*.Hα-helixtrans-61.5-44173.4-72.8-172-68.600111.5A112 A113 A118 A119 H120A112-M116 WeakPolarHBondContact O-CG 3.44Å; A112-M116 PolarHBondContact O-N 3.46Å; A113-M116 PolarHBondContact O-N 3.22Å; M116-A118 PolarHBondContact O-N 2.99Å; M116-A119 PolarHBondContact O-N 2.98Å; M116-H120 PolarHBondContact O-N 2.86Å
117K89.3Confident85.5Confident132 Ų13297.7 Ų97.757%0.57452%0.519SS*.Hα-helixtrans-58.6-49174.8-174.3-179.4176.6-179.70111.3A113 K114 A119 H120 D121A113-K117 WeakPolarHBondContact O-CB 3.49Å; A113-K117 PolarHBondContact O-N 3.23Å; K114-K117 PolarHBondContact O-N 3.46Å; K117-A119 VanDerWaalsContact C-N 3.29Å; K117-A119 PolarHBondContact O-N 2.96Å; K117-H120 PolarHBondContact O-N 3.22Å; K117-D121 WeakPolarHBondContact O-CB 3.22Å; K117-D121 PolarHBondContact O-N 3.24Å
118A88.3Confident84.6Confident46 Ų4696.4 Ų96.438%0.3852%0.52SS..Hα-helixtrans-63.5-34.5178.100000112.7K114 A115 M116 N122K114-A118 WeakPolarHBondContact O-CB 3.43Å; K114-A118 PolarHBondContact O-N 3.48Å; A115-A118 PolarHBondContact O-N 3.16Å; M116-A118 PolarHBondContact O-N 2.99Å; A118-N122 WeakPolarHBondContact O-CB 3.47Å; A118-N122 VanDerWaalsContact O-CG 3.25Å; A118-N122 PolarHBondContact O-N 3.19Å; A118-N122 PolarHBondContact O-ND2 3.45Å; A118-N122 VanDerWaalsContact O-ND2 3.07Å
119A84.9Confident83.8Confident49 Ų4996.4 Ų96.441%0.40552%0.52SS..Hα-helixtrans-65.9-41.7173.900000111.7A115 M116 K117 N122 M123A115-A119 WeakPolarHBondContact O-CB 3.48Å; A115-A119 PolarHBondContact O-N 2.81Å; M116-A119 PolarHBondContact O-N 2.98Å; K117-A119 VanDerWaalsContact C-N 3.29Å; K117-A119 PolarHBondContact O-N 2.96Å; A119-N122 CarbonylContact O-C 3.55Å; A119-N122 PolarHBondContact O-N 3.21Å; A119-M123 WeakPolarHBondContact O-CG 3.48Å; A119-M123 PolarHBondContact O-N 2.98Å
120H82.7Confident83.2Confident123 Ų12396.5 Ų96.557%0.56952%0.519SS*.Hα-helixtrans-70.6-39174.9-65.4166.5000112.6M116 K117 N122 M123M116-H120 PolarHBondContact O-N 2.86Å; K117-H120 PolarHBondContact O-N 3.22Å; H120-N122 PolarHBondContact O-N 3.34Å; H120-M123 CarbonylContact O-C 3.59Å; H120-M123 WeakPolarHBondContact O-CA 3.43Å; H120-M123 WeakPolarHBondContact O-CB 3.26Å; H120-M123 PolarHBondContact O-N 3.37Å; H120-M123 VanDerWaalsContact O-N 3.07Å
121D78.5Confident82.6Confident107 Ų10799.8 Ų99.857%0.57253%0.528SS*.Hα-helixtrans-62.1-31.1173.9-67.1-16.7000110.5K117K117-D121 WeakPolarHBondContact O-CB 3.22Å; K117-D121 PolarHBondContact O-N 3.24Å
122N68.5Low82.1Confident132 Ų13298.5 Ų98.571%0.70653%0.528SS*.Hα-helixtrans-82.7-19.7173.3-75.6-34.1000114.2A118 A119 H120 D124A118-N122 WeakPolarHBondContact O-CB 3.47Å; A118-N122 VanDerWaalsContact O-CG 3.25Å; A118-N122 PolarHBondContact O-N 3.19Å; A118-N122 PolarHBondContact O-ND2 3.45Å; A118-N122 VanDerWaalsContact O-ND2 3.07Å; A119-N122 CarbonylContact O-C 3.55Å; A119-N122 PolarHBondContact O-N 3.21Å; H120-N122 PolarHBondContact O-N 3.34Å; N122-D124 PolarHBondContact O-N 3Å
123M67.1Low82Confident131 Ų131101.2 Ų101.265%0.64553%0.533SS*.SBendtrans-74.575.3162.7-71.9175.868.200105.6A119 H120 I125A119-M123 WeakPolarHBondContact O-CG 3.48Å; A119-M123 PolarHBondContact O-N 2.98Å; H120-M123 CarbonylContact O-C 3.59Å; H120-M123 WeakPolarHBondContact O-CA 3.43Å; H120-M123 WeakPolarHBondContact O-CB 3.26Å; H120-M123 PolarHBondContact O-N 3.37Å; H120-M123 VanDerWaalsContact O-N 3.07Å; M123-I125 PolarHBondContact O-N 2.75Å
124D65.4Low81.8Confident64 Ų64103 Ų10334%0.34254%0.535SS..  trans-25.6108.1-177.3-96.1-42.9000110.3N122 D126 K127 V128N122-D124 PolarHBondContact O-N 3Å; D124-D126 HydrophobicContact CB-CB 4.33Å; D124-D126 PolarHBondContact O-N 2.99Å; D124-D126 VanDerWaalsContact O-N 3.16Å; D124-K127 HydrophobicContact CB-CB 3.71Å; D124-K127 HydrophobicContact CB-CD 3.81Å; D124-K127 HydrophobicContact CB-CG 3.5Å; D124-K127 WeakPolarHBondContact O-CA 3.37Å; D124-K127 WeakPolarHBondContact O-CB 3.36Å; D124-K127 PolarHBondContact O-N 3.27Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 3.54Å; D124-V128 PolarHBondContact O-N 2.98Å
125I70.6Confident81.5Confident117 Ų11799.4 Ų99.460%0.652%0.522SS*.Hα-helixtrans-55.4-30.8169.2-160.7161.9000109.3M123 K127 V128 D129M123-I125 PolarHBondContact O-N 2.75Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 3.43Å; I125-V128 CarbonylContact O-C 3.46Å; I125-V128 WeakPolarHBondContact O-CA 3.38Å; I125-V128 WeakPolarHBondContact O-CB 3.47Å; I125-V128 PolarHBondContact O-N 2.95Å; I125-D129 WeakPolarHBondContact O-CB 3.49Å; I125-D129 PolarHBondContact O-N 3.04Å
126D71.7Confident81.2Confident112 Ų11298.4 Ų98.460%0.59951%0.514SS*.Hα-helixtrans-58.7-36.2171.3-61.2-16.2000112.6D124 E130D124-D126 HydrophobicContact CB-CB 4.33Å; D124-D126 PolarHBondContact O-N 2.99Å; D124-D126 VanDerWaalsContact O-N 3.16Å; D126-E130 VanDerWaalsContact O-CB 3.24Å; D126-E130 WeakPolarHBondContact O-CB 3.38Å; D126-E130 PolarHBondContact O-N 2.81Å
127K74.1Confident81.3Confident126 Ų12696.3 Ų96.355%0.54851%0.505SS..Hα-helixtrans-77.3-30.5174.1-73.1-179.8-169.3165.10112.3D124 I125 L131D124-K127 HydrophobicContact CB-CB 3.71Å; D124-K127 HydrophobicContact CB-CD 3.81Å; D124-K127 HydrophobicContact CB-CG 3.5Å; D124-K127 WeakPolarHBondContact O-CA 3.37Å; D124-K127 WeakPolarHBondContact O-CB 3.36Å; D124-K127 PolarHBondContact O-N 3.27Å; D124-K127 WeakPolarHBondContact OD2-CE 3.33Å; D124-K127 IonicContact OD2-NZ 3.54Å; I125-K127 VanDerWaalsContact C-N 3.29Å; I125-K127 PolarHBondContact O-N 3.43Å; K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.28Å
128V78.3Confident81.3Confident74 Ų7495.9 Ų95.945%0.44851%0.505SS..Hα-helixtrans-67.4-43.9171.8179.10000109.1D124 I125 L131 M132D124-V128 PolarHBondContact O-N 2.98Å; I125-V128 CarbonylContact O-C 3.46Å; I125-V128 WeakPolarHBondContact O-CA 3.38Å; I125-V128 WeakPolarHBondContact O-CB 3.47Å; I125-V128 PolarHBondContact O-N 2.95Å; V128-L131 PolarHBondContact O-N 3.09Å; V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 WeakPolarHBondContact O-CB 3.44Å; V128-M132 WeakPolarHBondContact O-CG 3.36Å; V128-M132 PolarHBondContact O-N 3.26Å
129D79.8Confident81.2Confident98 Ų9899.6 Ų99.652%0.52452%0.515SS..Hα-helixtrans-65.4-41.6175.6-72.8-15.2000111.3I125 M132 Q133I125-D129 WeakPolarHBondContact O-CB 3.49Å; I125-D129 PolarHBondContact O-N 3.04Å; D129-M132 PolarHBondContact O-N 3.42Å; D129-Q133 WeakPolarHBondContact O-CB 3.42Å; D129-Q133 PolarHBondContact O-N 3.34Å
130E84.4Confident81.5Confident122 Ų122103.6 Ų103.657%0.5753%0.525SS*.Hα-helixtrans-61.8-45.4172.7-171.8177.1-163.300111.2D126 M132 Q133 D134D126-E130 VanDerWaalsContact O-CB 3.24Å; D126-E130 WeakPolarHBondContact O-CB 3.38Å; D126-E130 PolarHBondContact O-N 2.81Å; E130-M132 VanDerWaalsContact C-N 3.34Å; E130-M132 PolarHBondContact O-N 3.05Å; E130-Q133 PolarHBondContact O-N 3.2Å; E130-D134 WeakPolarHBondContact O-CB 3.44Å; E130-D134 PolarHBondContact O-N 3.39Å
131L83.4Confident81.7Confident102 Ų102101.1 Ų101.153%0.53452%0.516SS..Hα-helixtrans-63.3-39.4175.4-17871.5000111.9K127 V128 Q133 D134 I135K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.28Å; V128-L131 PolarHBondContact O-N 3.09Å; L131-Q133 VanDerWaalsContact C-N 3.35Å; L131-D134 PolarHBondContact O-N 2.8Å; L131-I135 HydrophobicContact CG-CD1 4.26Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 2.76Å
132M86.4Confident82Confident112 Ų11298.8 Ų98.855%0.55251%0.511SS*.Hα-helixtrans-68.6-35.8176.8-74.4-64.1-6100111.5V128 D129 E130 I135 A136V128-M132 HydrophobicContact CG1-CG 4.41Å; V128-M132 WeakPolarHBondContact O-CB 3.44Å; V128-M132 WeakPolarHBondContact O-CG 3.36Å; V128-M132 PolarHBondContact O-N 3.26Å; D129-M132 PolarHBondContact O-N 3.42Å; E130-M132 VanDerWaalsContact C-N 3.34Å; E130-M132 PolarHBondContact O-N 3.05Å; M132-I135 PolarHBondContact O-N 3.06Å; M132-I135 HydrophobicContact SD-CD1 4.35Å; M132-A136 PolarHBondContact O-N 3.04Å
133Q91.6Very high82.9Confident108 Ų10899.3 Ų99.351%0.50551%0.509SS..Hα-helixtrans-66.5-46.1172.2-172.863.842.800110.6D129 E130 L131 I135 A136 D137D129-Q133 WeakPolarHBondContact O-CB 3.42Å; D129-Q133 PolarHBondContact O-N 3.34Å; E130-Q133 PolarHBondContact O-N 3.2Å; L131-Q133 VanDerWaalsContact C-N 3.35Å; Q133-I135 VanDerWaalsContact C-N 3.26Å; Q133-I135 PolarHBondContact O-N 2.92Å; Q133-A136 WeakPolarHBondContact O-CB 3.35Å; Q133-A136 PolarHBondContact O-N 2.92Å; Q133-D137 PolarHBondContact NE2-OD1 3Å; Q133-D137 WeakPolarHBondContact O-CB 3.47Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 3.12Å
134D91.3Very high83.7Confident85 Ų8599.2 Ų99.246%0.45551%0.507SS..Hα-helixtrans-57.4-41.1174.7-76.5-13.8000111E130 L131 D137 Q138E130-D134 WeakPolarHBondContact O-CB 3.44Å; E130-D134 PolarHBondContact O-N 3.39Å; L131-D134 PolarHBondContact O-N 2.8Å; D134-D137 PolarHBondContact O-N 2.61Å; D134-Q138 WeakPolarHBondContact O-CB 3.24Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.86Å
135I89.1Confident84.5Confident73 Ų73100.1 Ų100.137%0.37451%0.511SS..Hα-helixtrans-63.4-43.2174.9-71.3165.1000111.2L131 M132 Q133 Q138 Q139L131-I135 HydrophobicContact CG-CD1 4.26Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 2.76Å; M132-I135 PolarHBondContact O-N 3.06Å; M132-I135 HydrophobicContact SD-CD1 4.35Å; Q133-I135 VanDerWaalsContact C-N 3.26Å; Q133-I135 PolarHBondContact O-N 2.92Å; I135-Q138 PolarHBondContact O-N 3.06Å; I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 3.01Å
136A88.8Confident84.9Confident40 Ų4098.1 Ų98.133%0.33151%0.507SS..Hα-helixtrans-64.1-45.2177.600000111.3M132 Q133 Q138 Q139 E140M132-A136 PolarHBondContact O-N 3.04Å; Q133-A136 WeakPolarHBondContact O-CB 3.35Å; Q133-A136 PolarHBondContact O-N 2.92Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 2.91Å; A136-Q139 WeakPolarHBondContact O-CB 3.45Å; A136-Q139 PolarHBondContact O-N 2.73Å; A136-Q139 VanDerWaalsContact O-N 3.11Å; A136-E140 PolarHBondContact O-N 3.12Å
137D92.7Very high85.4Confident70 Ų7095.9 Ų95.937%0.37450%0.498SS..Hα-helixtrans-62.8-37.7176.8-67.11.2000111Q133 D134 E140 L141Q133-D137 PolarHBondContact NE2-OD1 3Å; Q133-D137 WeakPolarHBondContact O-CB 3.47Å; Q133-D137 VanDerWaalsContact O-CG 3.26Å; Q133-D137 PolarHBondContact O-N 3.12Å; D134-D137 PolarHBondContact O-N 2.61Å; D137-E140 PolarHBondContact O-N 3.44Å; D137-L141 WeakPolarHBondContact O-CB 3.48Å; D137-L141 PolarHBondContact O-N 3.26Å
138Q89.3Confident85.4Confident122 Ų12292.3 Ų92.357%0.5749%0.492SS*.Hα-helixtrans-69.2-34173.4-72.3-56.9-61.800112.8D134 I135 A136 A142D134-Q138 WeakPolarHBondContact O-CB 3.24Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.86Å; I135-Q138 PolarHBondContact O-N 3.06Å; A136-Q138 VanDerWaalsContact C-N 3.3Å; A136-Q138 PolarHBondContact O-N 2.91Å; Q138-A142 WeakPolarHBondContact O-CB 3.48Å; Q138-A142 PolarHBondContact O-N 3.02Å
139Q86.8Confident85.1Confident125 Ų12595.3 Ų95.358%0.58450%0.504SS*.Hα-helixtrans-67.6-43.1173-75.5177.75.500111.1I135 A136 A142 E143I135-Q139 WeakPolarHBondContact O-CG 3.44Å; I135-Q139 PolarHBondContact O-N 3.01Å; A136-Q139 WeakPolarHBondContact O-CB 3.45Å; A136-Q139 PolarHBondContact O-N 2.73Å; A136-Q139 VanDerWaalsContact O-N 3.11Å; Q139-A142 PolarHBondContact O-N 3.06Å; Q139-E143 PolarHBondContact O-N 3.07Å
140E90.5Very high84.7Confident132 Ų13294.5 Ų94.562%0.61751%0.506SS*.Hα-helixtrans-61.9-44174.5-173.8174.1-171.500111.1A136 D137 A142 E143 E144A136-E140 PolarHBondContact O-N 3.12Å; D137-E140 PolarHBondContact O-N 3.44Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-A142 PolarHBondContact O-N 3.29Å; E140-E143 CarbonylContact O-C 3.56Å; E140-E143 PolarHBondContact O-N 3.5Å; E140-E144 WeakPolarHBondContact O-CB 3.39Å; E140-E144 PolarHBondContact O-N 2.8Å
141L88Confident83.3Confident72 Ų7295 Ų9538%0.37751%0.506SS..Hα-helixtrans-60.7-42.1173.8-17964.1000111.7D137 E143 E144 I145D137-L141 WeakPolarHBondContact O-CB 3.48Å; D137-L141 PolarHBondContact O-N 3.26Å; L141-E143 VanDerWaalsContact C-N 3.34Å; L141-E144 PolarHBondContact O-N 2.92Å; L141-I145 HydrophobicContact CD1-CD1 4.12Å; L141-I145 HydrophobicContact CD1-CG1 4.23Å; L141-I145 HydrophobicContact CD2-CD1 4.45Å; L141-I145 HydrophobicContact CG-CD1 3.84Å; L141-I145 HydrophobicContact CG-CG1 4.36Å; L141-I145 WeakPolarHBondContact O-CB 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.3Å; L141-I145 PolarHBondContact O-N 3.33Å
142A83.8Confident81.9Confident58 Ų5896.2 Ų96.248%0.47952%0.52SS..Hα-helixtrans-63.5-40.317700000111.7Q138 Q139 E140 S146Q138-A142 WeakPolarHBondContact O-CB 3.48Å; Q138-A142 PolarHBondContact O-N 3.02Å; Q139-A142 PolarHBondContact O-N 3.06Å; E140-A142 VanDerWaalsContact C-N 3.33Å; E140-A142 PolarHBondContact O-N 3.29Å; A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.39Å; A142-S146 PolarHBondContact O-N 3.31Å
143E86.9Confident80.4Confident142 Ų14296.6 Ų96.666%0.66453%0.528SS*.Hα-helixtrans-67-39172.7-73-168.3176.700112.3Q139 E140 L141 S146 T147Q139-E143 PolarHBondContact O-N 3.07Å; E140-E143 CarbonylContact O-C 3.56Å; E140-E143 PolarHBondContact O-N 3.5Å; L141-E143 VanDerWaalsContact C-N 3.34Å; E143-S146 PolarHBondContact O-N 2.98Å; E143-T147 VanDerWaalsContact O-CB 3.24Å; E143-T147 WeakPolarHBondContact O-CB 3.46Å; E143-T147 PolarHBondContact O-N 3.43Å; E143-T147 PolarHBondContact O-OG1 3.25Å
144E84.7Confident78.5Confident129 Ų12994.9 Ų94.960%0.60354%0.54SS*.Hα-helixtrans-66.5-42.5176.5-170.3-179.9-175.200110.9E140 L141 T147 A148E140-E144 WeakPolarHBondContact O-CB 3.39Å; E140-E144 PolarHBondContact O-N 2.8Å; L141-E144 PolarHBondContact O-N 2.92Å; E144-T147 CarbonylContact O-C 3.6Å; E144-T147 PolarHBondContact O-N 2.9Å; E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 3.49Å
145I81.9Confident76.5Confident84 Ų8499.5 Ų99.543%0.43156%0.556SS.*Hα-helixtrans-63.3-47.4173.8-70.1168.4000109.8L141 T147 A148 I149L141-I145 HydrophobicContact CD1-CD1 4.12Å; L141-I145 HydrophobicContact CD1-CG1 4.23Å; L141-I145 HydrophobicContact CD2-CD1 4.45Å; L141-I145 HydrophobicContact CG-CD1 3.84Å; L141-I145 HydrophobicContact CG-CG1 4.36Å; L141-I145 WeakPolarHBondContact O-CB 3.27Å; L141-I145 WeakPolarHBondContact O-CG1 3.3Å; L141-I145 PolarHBondContact O-N 3.33Å; I145-T147 VanDerWaalsContact C-N 3.26Å; I145-T147 PolarHBondContact O-N 3.48Å; I145-A148 PolarHBondContact O-N 2.99Å; I145-A148 VanDerWaalsContact O-N 3.15Å; I145-I149 HydrophobicContact CG2-CD1 3.56Å; I145-I149 HydrophobicContact CG2-CG1 4.23Å; I145-I149 WeakPolarHBondContact O-CB 3.44Å; I145-I149 VanDerWaalsContact O-CG1 3.26Å; I145-I149 WeakPolarHBondContact O-CG1 3.37Å; I145-I149 PolarHBondContact O-N 3.09Å
146S79.5Confident74.6Confident74 Ų7499.1 Ų99.152%0.51757%0.57SS.*Hα-helixtrans-58-42175.8-1760000111.1A142 E143 S150A142-S146 VanDerWaalsContact O-CB 3.27Å; A142-S146 WeakPolarHBondContact O-CB 3.39Å; A142-S146 PolarHBondContact O-N 3.31Å; E143-S146 PolarHBondContact O-N 2.98Å; S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.08Å; S146-S150 PolarHBondContact O-OG 3.48Å
147T81.5Confident72.9Confident66 Ų66104.2 Ų104.241%0.40559%0.587SS.*Hα-helixtrans-68.5-38.8175.7-59.30000111.9E143 E144 I145 S150 K151E143-T147 VanDerWaalsContact O-CB 3.24Å; E143-T147 WeakPolarHBondContact O-CB 3.46Å; E143-T147 PolarHBondContact O-N 3.43Å; E143-T147 PolarHBondContact O-OG1 3.25Å; E144-T147 CarbonylContact O-C 3.6Å; E144-T147 PolarHBondContact O-N 2.9Å; I145-T147 VanDerWaalsContact C-N 3.26Å; I145-T147 PolarHBondContact O-N 3.48Å; T147-S150 VanDerWaalsContact CA-OG 3.31Å; T147-S150 WeakPolarHBondContact CA-OG 3.47Å; T147-S150 PolarHBondContact O-OG 2.99Å; T147-K151 VanDerWaalsContact O-CB 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.4Å; T147-K151 WeakPolarHBondContact O-CG 3.37Å; T147-K151 PolarHBondContact O-N 3Å
148A74.7Confident71Confident50 Ų50110 Ų11041%0.41361%0.612SS.*Hα-helixtrans-71.4-35.2-179.900000112.2E144 I145E144-A148 WeakPolarHBondContact O-CB 3.44Å; E144-A148 PolarHBondContact O-N 3.49Å; I145-A148 PolarHBondContact O-N 2.99Å; I145-A148 VanDerWaalsContact O-N 3.15Å
149I72.2Confident69.7Low137 Ų137110 Ų11070%0.70361%0.61SS**Hα-helixtrans-76.9-37.7174.5-65.1173.6000110.6I145I145-I149 HydrophobicContact CG2-CD1 3.56Å; I145-I149 HydrophobicContact CG2-CG1 4.23Å; I145-I149 WeakPolarHBondContact O-CB 3.44Å; I145-I149 VanDerWaalsContact O-CG1 3.26Å; I145-I149 WeakPolarHBondContact O-CG1 3.37Å; I145-I149 PolarHBondContact O-N 3.09Å
150S71.2Confident69Low81 Ų81108.2 Ų108.257%0.56661%0.605SS**Hα-helixtrans-79.6-19.8177.463.60000113.9S146 T147 P152S146-S150 WeakPolarHBondContact O-CB 3.45Å; S146-S150 PolarHBondContact O-N 3.08Å; S146-S150 PolarHBondContact O-OG 3.48Å; T147-S150 VanDerWaalsContact CA-OG 3.31Å; T147-S150 WeakPolarHBondContact CA-OG 3.47Å; T147-S150 PolarHBondContact O-OG 2.99Å; S150-P152 WeakPolarHBondContact O-CD 3.29Å; S150-P152 VanDerWaalsContact O-N 3.08Å
151K55.6Low68.2Low133 Ų133109.4 Ų109.458%0.57861%0.61SS**SBendtrans-57.1113.1166.7-90.8171.2-174.6170.60106.5T147 V153T147-K151 VanDerWaalsContact O-CB 3.28Å; T147-K151 WeakPolarHBondContact O-CB 3.4Å; T147-K151 WeakPolarHBondContact O-CG 3.37Å; T147-K151 PolarHBondContact O-N 3Å; K151-V153 PolarHBondContact O-N 3.14Å
152P54.1Low67.8Low127 Ų127111.9 Ų111.983%0.82562%0.624SS**  trans-63.8101-175.5-1830.3000108.7S150 G154S150-P152 WeakPolarHBondContact O-CD 3.29Å; S150-P152 VanDerWaalsContact O-N 3.08Å; P152-G154 PolarHBondContact O-N 3.03Å
153V55.1Low67.8Low120 Ų120115.5 Ų115.573%0.72763%0.631SS**  trans-79.473.9168.7-169.30000106.5K151 F155K151-V153 PolarHBondContact O-N 3.14Å; V153-F155 PolarHBondContact O-N 3.28Å
154G51.6Low67.6Low72 Ų72112.5 Ų112.574%0.74262%0.619SS**SBendtrans49.313.315500000119.4P152P152-G154 PolarHBondContact O-N 3.03Å
155F48.1Very low67.3Low183 Ų183111.5 Ų111.580%0.80362%0.616SS**  trans-135.271175-72.2-83.3000104.6V153 E157V153-F155 PolarHBondContact O-N 3.28Å; F155-E157 PolarHBondContact O-N 3.1Å
156G50.6Low67.5Low64 Ų64110.2 Ų110.266%0.6662%0.617SS**  trans-58.8103.7147.700000103.8E158G156-E158 PolarHBondContact O-N 3.28Å
157E51.7Low67.7Low148 Ų148112 Ų11269%0.69262%0.617SS**  trans-62.796.9160.1-80-177.4152.600104.4F155 F159F155-E157 PolarHBondContact O-N 3.1Å; E157-F159 HydrophobicContact CB-CD2 3.84Å; E157-F159 HydrophobicContact CB-CE2 3.5Å; E157-F159 VanDerWaalsContact CB-CE2 3.5Å; E157-F159 HydrophobicContact CB-CZ 4.17Å; E157-F159 HydrophobicContact CG-CE2 4.28Å; E157-F159 PolarHBondContact O-N 2.74Å; E157-F159 WeakPolarHBondContact OE2-CE2 3.25Å
158E52.5Low67.8Low191 Ų191113.3 Ų113.389%0.89362%0.622SS**  trans-63.871166.2-63.9175.1175.500106.6G156 D160G156-E158 PolarHBondContact O-N 3.28Å; E158-D160 PolarHBondContact O-N 3.12Å
159F63.1Low68.2Low121 Ų121117.2 Ų117.253%0.53163%0.631SS.*  trans-67.6120156.9-65.6-73.9000105.5E157 E161 L164E157-F159 HydrophobicContact CB-CD2 3.84Å; E157-F159 HydrophobicContact CB-CE2 3.5Å; E157-F159 VanDerWaalsContact CB-CE2 3.5Å; E157-F159 HydrophobicContact CB-CZ 4.17Å; E157-F159 HydrophobicContact CG-CE2 4.28Å; E157-F159 PolarHBondContact O-N 2.74Å; E157-F159 WeakPolarHBondContact OE2-CE2 3.25Å; F159-E161 PolarHBondContact O-N 3.12Å; F159-E161 VanDerWaalsContact O-N 3.11Å; F159-L164 HydrophobicContact CB-CD1 3.56Å; F159-L164 HydrophobicContact CB-CD2 4.37Å; F159-L164 HydrophobicContact CB-CG 3.96Å; F159-L164 HydrophobicContact CG-CD1 4.37Å
160D72.6Confident68.9Low88 Ų88116.7 Ų116.747%0.47163%0.626SS.*  trans-60116173.1-169.2-16.3000107E158 D162 E163 L164E158-D160 PolarHBondContact O-N 3.12Å; D160-D162 PolarHBondContact O-N 3.35Å; D160-D162 VanDerWaalsContact O-N 3.12Å; D160-D162 WeakPolarHBondContact OD1-CB 3.41Å; D160-D162 PolarHBondContact OD1-N 3.18Å; D160-E163 HydrophobicContact CB-CB 3.93Å; D160-E163 WeakPolarHBondContact O-CB 3.26Å; D160-E163 PolarHBondContact O-N 2.58Å; D160-L164 PolarHBondContact O-N 2.81Å
161E73Confident69.4Low157 Ų157117.2 Ų117.273%0.73462%0.622SS**Hα-helixtrans-55.6-29177.7-76-176.6167.600110.5F159 M165F159-E161 PolarHBondContact O-N 3.12Å; F159-E161 VanDerWaalsContact O-N 3.11Å; E161-M165 VanDerWaalsContact O-CB 3.28Å; E161-M165 WeakPolarHBondContact O-CB 3.38Å; E161-M165 WeakPolarHBondContact O-CG 3.35Å; E161-M165 PolarHBondContact O-N 3.38Å
162D80.1Confident70.6Confident124 Ų124116.3 Ų116.366%0.66362%0.62SS**Hα-helixtrans-71.2-34.6176.3-66.5-24.6000112.1D160 A166D160-D162 PolarHBondContact O-N 3.35Å; D160-D162 VanDerWaalsContact O-N 3.12Å; D160-D162 WeakPolarHBondContact OD1-CB 3.41Å; D160-D162 PolarHBondContact OD1-N 3.18Å; D162-A166 WeakPolarHBondContact O-CB 3.43Å; D162-A166 PolarHBondContact O-N 3.36Å; D162-A166 VanDerWaalsContact O-N 3.13Å
163E83.7Confident71.8Confident135 Ų135115.3 Ų115.363%0.63160%0.604SS**Hα-helixtrans-70.8-43.1174.9-175.2173.3-168.500110.9D160 A166 E167D160-E163 HydrophobicContact CB-CB 3.93Å; D160-E163 WeakPolarHBondContact O-CB 3.26Å; D160-E163 PolarHBondContact O-N 2.58Å; E163-A166 PolarHBondContact O-N 3.1Å; E163-E167 PolarHBondContact O-N 2.88Å
164L82.2Confident73.1Confident79 Ų79115.1 Ų115.141%0.41460%0.595SS.*Hα-helixtrans-65.4-38.8176-69.8177.4000112.5F159 D160 A166 E167 L168F159-L164 HydrophobicContact CB-CD1 3.56Å; F159-L164 HydrophobicContact CB-CD2 4.37Å; F159-L164 HydrophobicContact CB-CG 3.96Å; F159-L164 HydrophobicContact CG-CD1 4.37Å; D160-L164 PolarHBondContact O-N 2.81Å; L164-A166 VanDerWaalsContact C-N 3.33Å; L164-E167 PolarHBondContact O-N 3.33Å; L164-L168 VanDerWaalsContact O-CB 3.27Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 PolarHBondContact O-N 2.9Å
165M78.9Confident74.3Confident108 Ų108117.5 Ų117.553%0.53259%0.587SS.*Hα-helixtrans-63.4-40.9174.7-76.7-94-69.300111.2E161 L168 E169E161-M165 VanDerWaalsContact O-CB 3.28Å; E161-M165 WeakPolarHBondContact O-CB 3.38Å; E161-M165 WeakPolarHBondContact O-CG 3.35Å; E161-M165 PolarHBondContact O-N 3.38Å; M165-L168 PolarHBondContact O-N 3.47Å; M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 WeakPolarHBondContact O-CG 3.44Å; M165-E169 PolarHBondContact O-N 3.4Å
166A85Confident75.7Confident56 Ų56114.1 Ų114.146%0.46358%0.576SS.*Hα-helixtrans-66-42.5176.700000112.5D162 E163 L164 E169 E170D162-A166 WeakPolarHBondContact O-CB 3.43Å; D162-A166 PolarHBondContact O-N 3.36Å; D162-A166 VanDerWaalsContact O-N 3.13Å; E163-A166 PolarHBondContact O-N 3.1Å; L164-A166 VanDerWaalsContact C-N 3.33Å; A166-E169 PolarHBondContact O-N 3.36Å; A166-E170 PolarHBondContact O-N 2.98Å
167E85.2Confident76.9Confident111 Ų111115.2 Ų115.252%0.51957%0.567SS.*Hα-helixtrans-66.5-37.1175.8-170.8176.3-172.500111.6E163 L164 E170 L171E163-E167 PolarHBondContact O-N 2.88Å; L164-E167 PolarHBondContact O-N 3.33Å; E167-E170 PolarHBondContact O-N 3.35Å; E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.12Å
168L81.9Confident77.9Confident95 Ų95114 Ų11450%0.49756%0.56SS.*Hα-helixtrans-65.4-44175.1-171.871.5000111.7L164 M165 E170 L171 E172L164-L168 VanDerWaalsContact O-CB 3.27Å; L164-L168 WeakPolarHBondContact O-CB 3.35Å; L164-L168 PolarHBondContact O-N 2.9Å; M165-L168 PolarHBondContact O-N 3.47Å; L168-E170 VanDerWaalsContact C-N 3.28Å; L168-E170 PolarHBondContact O-N 2.83Å; L168-L171 PolarHBondContact O-N 3Å; L168-E172 WeakPolarHBondContact O-CG 3.49Å; L168-E172 PolarHBondContact O-N 2.9Å
169E84.6Confident78.6Confident131 Ų131108.4 Ų108.461%0.61254%0.536SS*.Hα-helixtrans-60.7-37.1174.5-77-179.6-176.600111.7M165 A166 Q173M165-E169 WeakPolarHBondContact O-CB 3.35Å; M165-E169 WeakPolarHBondContact O-CG 3.44Å; M165-E169 PolarHBondContact O-N 3.4Å; A166-E169 PolarHBondContact O-N 3.36Å; E169-Q173 WeakPolarHBondContact O-CB 3.31Å; E169-Q173 PolarHBondContact O-N 2.99Å
170E86Confident78.6Confident127 Ų127109 Ų10959%0.59354%0.544SS*.Hα-helixtrans-66.8-44.6175.5-170.2166.8-159.400111.8A166 E167 L168 Q173 E174A166-E170 PolarHBondContact O-N 2.98Å; E167-E170 PolarHBondContact O-N 3.35Å; L168-E170 VanDerWaalsContact C-N 3.28Å; L168-E170 PolarHBondContact O-N 2.83Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 3.34Å; E170-E174 WeakPolarHBondContact O-CG 3.42Å; E170-E174 PolarHBondContact O-N 2.89Å
171L81.8Confident77.9Confident91 Ų91111.3 Ų111.348%0.47656%0.556SS.*Hα-helixtrans-66-40.4177.3-73.3172.9000113.2E167 L168 Q173 E174 E175E167-L171 WeakPolarHBondContact O-CG 3.38Å; E167-L171 PolarHBondContact O-N 3.12Å; L168-L171 PolarHBondContact O-N 3Å; L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 2.89Å; L171-E174 PolarHBondContact O-N 3.02Å; L171-E175 WeakPolarHBondContact O-CB 3.25Å; L171-E175 PolarHBondContact O-N 3.21Å
172E80.3Confident77.1Confident115 Ų115109.6 Ų109.654%0.53755%0.548SS..Hα-helixtrans-61.5-38174.8-76.3-173.2172.300111.1L168 L176L168-E172 WeakPolarHBondContact O-CG 3.49Å; L168-E172 PolarHBondContact O-N 2.9Å; E172-L176 WeakPolarHBondContact O-CB 3.41Å; E172-L176 WeakPolarHBondContact O-CD1 3.3Å; E172-L176 WeakPolarHBondContact O-CG 3.48Å; E172-L176 PolarHBondContact O-N 2.93Å
173Q80.3Confident75.8Confident105 Ų105111 Ų11149%0.49155%0.554SS.*Hα-helixtrans-68.3-42.9175.6-171.760.54700111.9E169 E170 L171 E175 L176 D177E169-Q173 WeakPolarHBondContact O-CB 3.31Å; E169-Q173 PolarHBondContact O-N 2.99Å; E170-Q173 WeakPolarHBondContact O-CB 3.38Å; E170-Q173 PolarHBondContact O-N 3.34Å; L171-Q173 VanDerWaalsContact C-N 3.26Å; L171-Q173 PolarHBondContact O-N 2.89Å; Q173-E175 PolarHBondContact O-N 3.02Å; Q173-L176 PolarHBondContact O-N 3.27Å; Q173-D177 PolarHBondContact NE2-OD1 2.98Å; Q173-D177 WeakPolarHBondContact O-CB 3.4Å; Q173-D177 VanDerWaalsContact O-CG 3.31Å; Q173-D177 PolarHBondContact O-N 3.4Å
174E80.8Confident73.9Confident116 Ų116109.5 Ų109.554%0.54256%0.558SS.*Hα-helixtrans-62.1-40.6175.1-73.6-170.2169.900112.5E170 L171 D177 K178E170-E174 WeakPolarHBondContact O-CG 3.42Å; E170-E174 PolarHBondContact O-N 2.89Å; L171-E174 PolarHBondContact O-N 3.02Å; E174-D177 PolarHBondContact O-N 2.99Å; E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 PolarHBondContact O-N 2.93Å
175E78.7Confident72.1Confident123 Ų123108.5 Ų108.558%0.57557%0.567SS**Hα-helixtrans-69.6-39.5177.9-178166.6-165.600111.9L171 Q173 D177 K178 N179L171-E175 WeakPolarHBondContact O-CB 3.25Å; L171-E175 PolarHBondContact O-N 3.21Å; Q173-E175 PolarHBondContact O-N 3.02Å; E175-D177 VanDerWaalsContact C-N 3.32Å; E175-D177 PolarHBondContact O-N 3.34Å; E175-K178 PolarHBondContact O-N 3.42Å; E175-N179 VanDerWaalsContact CG-ND2 3.33Å; E175-N179 WeakPolarHBondContact CG-ND2 3.41Å; E175-N179 WeakPolarHBondContact O-CB 3.44Å; E175-N179 PolarHBondContact O-N 2.99Å; E175-N179 PolarHBondContact O-ND2 3.28Å
176L75.6Confident70.6Confident111 Ų111109.4 Ų109.458%0.58158%0.58SS**Hα-helixtrans-58.6-44.7170.7-83163.3000111.3E172 Q173 L180E172-L176 WeakPolarHBondContact O-CB 3.41Å; E172-L176 WeakPolarHBondContact O-CD1 3.3Å; E172-L176 WeakPolarHBondContact O-CG 3.48Å; E172-L176 PolarHBondContact O-N 2.93Å; Q173-L176 PolarHBondContact O-N 3.27Å; L176-L180 WeakPolarHBondContact O-CB 3.37Å; L176-L180 PolarHBondContact O-N 3.34Å; L176-L180 VanDerWaalsContact O-N 3.09Å
177D76.4Confident68.3Low88 Ų88115.3 Ų115.347%0.47160%0.599SS.*Hα-helixtrans-65.1-39.7178-75.2-6.4000111.7Q173 E174 E175 L181Q173-D177 PolarHBondContact NE2-OD1 2.98Å; Q173-D177 WeakPolarHBondContact O-CB 3.4Å; Q173-D177 VanDerWaalsContact O-CG 3.31Å; Q173-D177 PolarHBondContact O-N 3.4Å; E174-D177 PolarHBondContact O-N 2.99Å; E175-D177 VanDerWaalsContact C-N 3.32Å; E175-D177 PolarHBondContact O-N 3.34Å; D177-L181 PolarHBondContact O-N 2.93Å
178K73.7Confident66.2Low121 Ų121116.4 Ų116.453%0.52661%0.613SS.*Hα-helixtrans-69.5-46.2177.6-176.5-177.5169.3-1690112.7E174 E175 L180 L181 E182E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 PolarHBondContact O-N 2.93Å; E175-K178 PolarHBondContact O-N 3.42Å; K178-L180 VanDerWaalsContact C-N 3.26Å; K178-L180 PolarHBondContact O-N 3.03Å; K178-L181 CarbonylContact O-C 3.57Å; K178-L181 WeakPolarHBondContact O-CA 3.44Å; K178-L181 VanDerWaalsContact O-CB 3.29Å; K178-L181 WeakPolarHBondContact O-CB 3.25Å; K178-L181 PolarHBondContact O-N 3.41Å; K178-E182 WeakPolarHBondContact CE-OE1 3.37Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 IonicContact NZ-OE1 3.74Å; K178-E182 PolarHBondContact O-N 2.86Å
179N67.4Low64.1Low74 Ų74118.3 Ų118.340%0.39663%0.628SS.*Hα-helixtrans-63.9-33.6178.5-78.9-40.5000111.6E175 L181 E182 I183E175-N179 VanDerWaalsContact CG-ND2 3.33Å; E175-N179 WeakPolarHBondContact CG-ND2 3.41Å; E175-N179 WeakPolarHBondContact O-CB 3.44Å; E175-N179 PolarHBondContact O-N 2.99Å; E175-N179 PolarHBondContact O-ND2 3.28Å; N179-L181 PolarHBondContact O-N 3.33Å; N179-E182 PolarHBondContact O-N 3.16Å; N179-I183 WeakPolarHBondContact O-CG1 3.39Å; N179-I183 PolarHBondContact O-N 3.43Å
180L62.3Low62.4Low133 Ų133117.8 Ų117.870%0.69664%0.636SS**Hα-helixtrans-63.4-31171.7-166.567.1000112L176 K178L176-L180 WeakPolarHBondContact O-CB 3.37Å; L176-L180 PolarHBondContact O-N 3.34Å; L176-L180 VanDerWaalsContact O-N 3.09Å; K178-L180 VanDerWaalsContact C-N 3.26Å; K178-L180 PolarHBondContact O-N 3.03Å
181L58.6Low60.3Low138 Ų138119.2 Ų119.272%0.72365%0.647SS**Hα-helixtrans-80.3-36.8178-127.8143.5000112.7D177 K178 N179 S184D177-L181 PolarHBondContact O-N 2.93Å; K178-L181 CarbonylContact O-C 3.57Å; K178-L181 WeakPolarHBondContact O-CA 3.44Å; K178-L181 VanDerWaalsContact O-CB 3.29Å; K178-L181 WeakPolarHBondContact O-CB 3.25Å; K178-L181 PolarHBondContact O-N 3.41Å; N179-L181 PolarHBondContact O-N 3.33Å; L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 2.89Å
182E55.6Low58.5Low121 Ų121121 Ų12157%0.56566%0.664SS**Hα-helixtrans-76.9-26.5-176.6-73-170.417900114.5K178 N179 S184 G185K178-E182 WeakPolarHBondContact CE-OE1 3.37Å; K178-E182 HydrophobicContact CG-CG 4.47Å; K178-E182 IonicContact NZ-OE1 3.74Å; K178-E182 PolarHBondContact O-N 2.86Å; N179-E182 PolarHBondContact O-N 3.16Å; E182-S184 PolarHBondContact O-N 3.48Å; E182-G185 PolarHBondContact O-N 3.43Å
183I53.9Low56.9Low154 Ų154123.4 Ų123.479%0.7968%0.681SS**THydrogen-bonded Turntrans-64-10.6171-64.3171000111.7N179N179-I183 WeakPolarHBondContact O-CG1 3.39Å; N179-I183 PolarHBondContact O-N 3.43Å
184S43.8Very low55.2Low102 Ų102124.8 Ų124.871%0.71370%0.696SS**THydrogen-bonded Turntrans-93.611177.9-58.60000115.1L181 E182L181-S184 WeakPolarHBondContact O-CB 3.48Å; L181-S184 PolarHBondContact O-N 2.89Å; E182-S184 PolarHBondContact O-N 3.48Å
185G43.3Very low53.4Low58 Ų58125.4 Ų125.460%0.59871%0.71SS**  trans-96.9126.3-176.800000115.1E182E182-G185 PolarHBondContact O-N 3.43Å
186P46.5Very low51.8Low127 Ų127125.5 Ų125.583%0.82572%0.724SS**  trans-90.1136.3-159.934.3-33.5000115.6
187E38.6Very low50Low181 Ų181127.5 Ų127.585%0.84673%0.734SS**  trans-45.6132163.2-56.1178.1154.400112.8
188T40.8Very low48Very low134 Ų134128.3 Ų128.382%0.82275%0.753SS**  trans-162.2100.1142.3450000110.3
189V36.9Very low46.7Very low135 Ų135130 Ų13082%0.81877%0.767SS**  trans-93.7117167.2-169.90000107.7
190P48.7Very low45.3Very low119 Ų119132 Ų13277%0.77378%0.784SS**  trans-102.1112.31797.213.7000111.7
191L41.6Very low44.2Very low157 Ų157131.7 Ų131.782%0.82279%0.792SS**  trans-102.8133.4169-73.2162.6000110
192P45Very low43.2Very low128 Ų128134.4 Ų134.483%0.83180%0.799SS**  trans-104.4147.717425-10000114.2
193N47.3Very low42.7Very low167 Ų167134.3 Ų134.389%0.89381%0.808SS**PPolyproline II helixtrans-82.3147.7-161.9-74.9-29000116.2
194V43.6Very low42.3Very low134 Ų134132.2 Ų132.281%0.81281%0.814SS**PPolyproline II helixtrans-101.7148.5169.9-74.30000112.9
195P43.7Very low42.2Very low128 Ų128136.3 Ų136.383%0.83182%0.819SS**PPolyproline II helixtrans-84.2135.3-173-6.325.6000113.6
196S44.5Very low42.4Very low125 Ų125141 Ų14187%0.87482%0.823SS**  trans-83.2115-178.9-73.90000112.8
197I37.1Very low42.7Very low154 Ų154143.6 Ų143.679%0.7982%0.821SS**  trans-122.6116.5158.8-69.4171.8000107.6L199I197-L199 PolarHBondContact O-N 2.78Å
198A35.1Very low43.5Very low104 Ų104142.5 Ų142.586%0.8682%0.816SS**  trans-71.2118.7-178.500000110.9
199L46.2Very low44.3Very low157 Ų157142.7 Ų142.782%0.82281%0.808SS**  trans-106143.3172.1-78.3163.2000110.4I197I197-L199 PolarHBondContact O-N 2.78Å
200P38.9Very low45.3Very low117 Ų117142.8 Ų142.876%0.7680%0.799SS**  trans-73.5139-170.9-8.725.2000112.5K202P200-K202 PolarHBondContact O-N 3.06Å
201S37.7Very low46.4Very low125 Ų125142.1 Ų142.187%0.87479%0.789SS**  trans-54.4115.1-178.851.90000113.6
202K38Very low48.1Very low196 Ų196139.9 Ų139.985%0.85278%0.778SS**  trans-100.2138.7166.6-167173.9-178.9-1760109.1P200P200-K202 PolarHBondContact O-N 3.06Å
203P45.2Very low49.8Very low119 Ų119138.4 Ų138.477%0.77376%0.763SS**  trans-74.5132.3-165.1-0.414.8000111.9K205P203-K205 PolarHBondContact O-N 2.82Å; P203-K205 VanDerWaalsContact O-N 3.16Å
204A46.3Very low51.2Low109 Ų109136.1 Ų136.190%0.90175%0.748SS**  trans-68.3102.8173.700000110.2
205K41.5Very low53.1Low188 Ų188135.5 Ų135.582%0.81774%0.735SS**  trans-133.379.6166.3-149.9-176.3-170.6-168.80107.3P203P203-K205 PolarHBondContact O-N 2.82Å; P203-K205 VanDerWaalsContact O-N 3.16Å
206K46.8Very low55Low158 Ų158136.2 Ų136.269%0.68773%0.727SS**  trans-156.710.9173.6-121-174.2-177.5-158.70116.1
207K54.2Low56.5Low180 Ų180135.9 Ų135.978%0.78372%0.715SS**Hα-helixtrans-94.6-15.2176-94.9-173.5171.8-172.10114.8
208E54.6Low58.8Low158 Ų158134.6 Ų134.674%0.73871%0.706SS**Hα-helixtrans-83.2-26.7177.9-82.4176.2154.700113.2D212E208-D212 PolarHBondContact O-N 3.5Å
209E56.8Low61.2Low139 Ų139135.5 Ų135.565%0.6570%0.696SS**Hα-helixtrans-73.5-40-179.8-111.9174.6173.800112.3D212 D213E209-D212 PolarHBondContact O-N 3.49Å; E209-D213 PolarHBondContact O-N 3.05Å
210E58.4Low63Low137 Ų137135.6 Ų135.664%0.6469%0.685SS**Hα-helixtrans-71.8-31.3-179.7-71.3178.9173.900113M214E210-M214 WeakPolarHBondContact O-CB 3.49Å; E210-M214 PolarHBondContact O-N 3.13Å; E210-M214 VanDerWaalsContact O-N 3.14Å
211D71.6Confident64.9Low104 Ų104133 Ų13356%0.55667%0.674SS**Hα-helixtrans-71.8-31.8177.4-85.9-5.8000112.2K215D211-K215 WeakPolarHBondContact O-CG 3.44Å; D211-K215 PolarHBondContact O-N 3.09Å
212D78.6Confident66.6Low111 Ų111130.4 Ų130.459%0.59467%0.666SS**Hα-helixtrans-73.6-44.5175.7-99.9-5000111.1E208 E209 M214 K215 E216E208-D212 PolarHBondContact O-N 3.5Å; E209-D212 PolarHBondContact O-N 3.49Å; D212-M214 VanDerWaalsContact C-N 3.31Å; D212-M214 PolarHBondContact O-N 2.9Å; D212-K215 PolarHBondContact O-N 3.43Å; D212-E216 PolarHBondContact O-N 3.46Å
213D79.8Confident68.1Low97 Ų97125.5 Ų125.552%0.51966%0.657SS.*Hα-helixtrans-61.5-39.1178.3-69.8-15.4000111.8E209 E216 L217E209-D213 PolarHBondContact O-N 3.05Å; D213-E216 PolarHBondContact O-N 3.36Å; D213-L217 PolarHBondContact O-N 2.88Å; D213-L217 VanDerWaalsContact O-N 3.15Å
214M77.7Confident68.3Low119 Ų119128.9 Ų128.959%0.58667%0.665SS**Hα-helixtrans-69.3-39.1178.8-173.4153.8-74.100112.4E210 D212 E216 L217 E218E210-M214 WeakPolarHBondContact O-CB 3.49Å; E210-M214 PolarHBondContact O-N 3.13Å; E210-M214 VanDerWaalsContact O-N 3.14Å; D212-M214 VanDerWaalsContact C-N 3.31Å; D212-M214 PolarHBondContact O-N 2.9Å; M214-E216 VanDerWaalsContact C-N 3.35Å; M214-L217 PolarHBondContact O-N 3.35Å; M214-E218 WeakPolarHBondContact O-CG 3.44Å; M214-E218 PolarHBondContact O-N 3.46Å
215K83.5Confident69.4Low120 Ų120129.9 Ų129.952%0.52265%0.653SS.*Hα-helixtrans-67.1-36.1175.4-78.3174.2-175.2162.20112.6D211 D212 L217 E218 N219D211-K215 WeakPolarHBondContact O-CG 3.44Å; D211-K215 PolarHBondContact O-N 3.09Å; D212-K215 PolarHBondContact O-N 3.43Å; K215-L217 VanDerWaalsContact C-N 3.32Å; K215-E218 PolarHBondContact O-N 2.91Å; K215-N219 PolarHBondContact O-N 3.07Å; K215-N219 VanDerWaalsContact O-N 3.15Å; K215-N219 PolarHBondContact O-ND2 3.4Å
216E82.3Confident70.9Confident144 Ų144126.8 Ų126.867%0.67364%0.644SS**Hα-helixtrans-65.1-39.3175.9-163.9171.1-168.100111D212 D213 M214 W220D212-E216 PolarHBondContact O-N 3.46Å; D213-E216 PolarHBondContact O-N 3.36Å; M214-E216 VanDerWaalsContact C-N 3.35Å; E216-W220 PolarHBondContact O-N 3.12Å
217L75.9Confident72.2Confident118 Ų118125.1 Ų125.162%0.61864%0.642SS**Hα-helixtrans-65.4-42.2174.2-81.6165.6000113.5D213 M214 K215 W220 A221D213-L217 PolarHBondContact O-N 2.88Å; D213-L217 VanDerWaalsContact O-N 3.15Å; M214-L217 PolarHBondContact O-N 3.35Å; K215-L217 VanDerWaalsContact C-N 3.32Å; L217-W220 PolarHBondContact O-N 3.28Å; L217-A221 PolarHBondContact O-N 3.49Å; L217-A221 VanDerWaalsContact O-N 3.09Å
218E85Confident73.3Confident127 Ų127121.8 Ų121.859%0.59363%0.633SS**Hα-helixtrans-64.1-42.4178.5-74.6-178.8171.100112.2M214 K215 W220 A221 G222M214-E218 WeakPolarHBondContact O-CG 3.44Å; M214-E218 PolarHBondContact O-N 3.46Å; K215-E218 PolarHBondContact O-N 2.91Å; E218-W220 VanDerWaalsContact C-N 3.3Å; E218-W220 PolarHBondContact O-N 3.29Å; E218-A221 PolarHBondContact O-N 3.34Å; E218-G222 PolarHBondContact O-N 3.03Å; E218-G222 VanDerWaalsContact O-N 3.09Å
219N87.1Confident74.4Confident123 Ų123119.6 Ų119.666%0.65863%0.627SS**Hα-helixtrans-65.2-35.2177.7-73.9-29.7000112.4K215K215-N219 PolarHBondContact O-N 3.07Å; K215-N219 VanDerWaalsContact O-N 3.15Å; K215-N219 PolarHBondContact O-ND2 3.4Å
220W84.3Confident75.6Confident159 Ų159118.3 Ų118.360%0.60263%0.625SS**Hα-helixtrans-67-46.5176.3-175.679.9000111.4E216 L217 E218 G222 S223 M224E216-W220 PolarHBondContact O-N 3.12Å; L217-W220 PolarHBondContact O-N 3.28Å; E218-W220 VanDerWaalsContact C-N 3.3Å; E218-W220 PolarHBondContact O-N 3.29Å; W220-G222 PolarHBondContact O-N 3.2Å; W220-S223 PolarHBondContact O-N 3.22Å; W220-S223 PolarHBondContact O-OG 3.16Å; W220-M224 HydrophobicContact CH2-CE 3.74Å; W220-M224 HydrophobicContact CH2-SD 4.2Å; W220-M224 HydrophobicContact CZ2-CE 3.35Å; W220-M224 HydrophobicContact CZ2-SD 4.33Å
221A78.4Confident76.8Confident62 Ų62116.9 Ų116.951%0.51262%0.624SS.*Hα-helixtrans-65.5-35.6-179.200000113.2L217 E218 S223L217-A221 PolarHBondContact O-N 3.49Å; L217-A221 VanDerWaalsContact O-N 3.09Å; E218-A221 PolarHBondContact O-N 3.34Å; A221-S223 VanDerWaalsContact C-N 3.26Å; A221-S223 PolarHBondContact O-N 3.05Å
222G72.7Confident77.2Confident70 Ų70117.9 Ų117.972%0.72263%0.63SS**THydrogen-bonded Turntrans-76.1-6.2177.900000115.4E218 W220E218-G222 PolarHBondContact O-N 3.03Å; E218-G222 VanDerWaalsContact O-N 3.09Å; W220-G222 PolarHBondContact O-N 3.2Å
223S68.6Low77.1Confident93 Ų93118.5 Ų118.565%0.6563%0.633SS**THydrogen-bonded Turntrans-103-0.8179.975.20000114.8W220 A221W220-S223 PolarHBondContact O-N 3.22Å; W220-S223 PolarHBondContact O-OG 3.16Å; A221-S223 VanDerWaalsContact C-N 3.26Å; A221-S223 PolarHBondContact O-N 3.05Å
224M50.2Low76.9Confident190 Ų190120.5 Ų120.594%0.93664%0.643SS**  trans-92.10167.6-75.4-168.7171.800110.8W220W220-M224 HydrophobicContact CH2-CE 3.74Å; W220-M224 HydrophobicContact CH2-SD 4.2Å; W220-M224 HydrophobicContact CZ2-CE 3.35Å; W220-M224 HydrophobicContact CZ2-SD 4.33Å

Retrieved 224 of 224 residues in 215.8 ms (Link to these results)