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Charged multivesicular body protein 6

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 released. The ESCRT machinery also functions in topologically equivalent membrane fission events, such as the terminal stages of cytokinesis and the budding of enveloped viruses (HIV-1 and other lentiviruses). ESCRT-III proteins are believed to mediate the necessary vesicle extrusion and/or membrane fission activities, possibly in conjunction with the AAA ATPase VPS4. In the ESCRT-III complex, it probably serves as an acceptor for the ESCRT-II complex on endosomal membranes.

AlphaFold DB , UniProt , Accession Q96FZ7, Species HUMAN (Homo sapiens, Human), Gene CHMP6, Length 201 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
1M46.2Very low57.7Low248 Ų248164.3 Ų164.3100%1.22283%0.834SS**  0117.80-83.3-75.6-104.600108.8
2G57.8Low59.4Low61 Ų61171.2 Ų171.263%0.62984%0.842SS**  trans93.581.1158.900000117.5L4G2-L4 PolarHBondContact O-N 2.96Å
3N52.1Low61Low149 Ų149163.7 Ų163.780%0.79781%0.812SS**  trans-68.880.5157-78.811.3000109.2F5N3-F5 HydrophobicContact CB-CD2 4.18Å; N3-F5 PolarHBondContact O-N 3.19Å
4L53.6Low62.9Low167 Ų167156.2 Ų156.287%0.87478%0.78SS**  trans-80.569.5170.1-79.8156.9000109.2G2 G6G2-L4 PolarHBondContact O-N 2.96Å; L4-G6 PolarHBondContact O-N 2.97Å
5F59Low64.5Low195 Ų195154.2 Ų154.286%0.85577%0.767SS**  trans-66.867.9159.1-87.9-98000108.8N3 R7N3-F5 HydrophobicContact CB-CD2 4.18Å; N3-F5 PolarHBondContact O-N 3.19Å; F5-R7 PolarHBondContact O-N 3.28Å
6G64.4Low66Low60 Ų60148.9 Ų148.962%0.61974%0.739SS**  trans-68.6110.3164.500000107L4 K8L4-G6 PolarHBondContact O-N 2.97Å; G6-K8 PolarHBondContact O-N 3.49Å
7R59.1Low67.5Low244 Ų244144 Ų14492%0.92172%0.716SS**  trans-35.4113.7160.8-96.3175.3162.3165-5.8107F5 K9F5-R7 PolarHBondContact O-N 3.28Å; R7-K9 PolarHBondContact O-N 3.44Å
8K55.7Low68.9Low203 Ų203140.6 Ų140.688%0.88370%0.697SS**  trans-51.7108.3174.4-79.7-178178.5178.60105.3G6 Q10G6-K8 PolarHBondContact O-N 3.49Å; K8-Q10 PolarHBondContact O-N 3.3Å
9K59.3Low70.1Confident202 Ų202134.9 Ų134.988%0.87867%0.674SS**  trans-50.4110.2170.5-90.9-178.6174178.80104.5R7 S11R7-K9 PolarHBondContact O-N 3.44Å; K9-S11 PolarHBondContact O-N 3.33Å
10Q61.5Low71.3Confident193 Ų193128.9 Ų128.990%0.90264%0.644SS**  trans-49122.3171.3-88.9154.6-61.400106K8 R12K8-Q10 PolarHBondContact O-N 3.3Å; Q10-R12 PolarHBondContact O-N 3.12Å; Q10-R12 VanDerWaalsContact O-N 3.13Å
11S66Low72.5Confident85 Ų85127.4 Ų127.459%0.59464%0.638SS**  trans-55.8124.5-170.5490000108.3K9 V13K9-S11 PolarHBondContact O-N 3.33Å; S11-V13 PolarHBondContact O-N 3.36Å; S11-V13 PolarHBondContact OG-O 2.93Å
12R77.7Confident74.8Confident247 Ų247122 Ų12293%0.93261%0.609SS**SBendtrans-59.1-5.6172.1-179.5172.6159.3100.6-0.5113Q10Q10-R12 PolarHBondContact O-N 3.12Å; Q10-R12 VanDerWaalsContact O-N 3.13Å
13V81.2Confident76.7Confident74 Ų74120.6 Ų120.645%0.44859%0.587SS.*  trans-94.1118178.8-174.60000108.4S11 D17 K18S11-V13 PolarHBondContact O-N 3.36Å; S11-V13 PolarHBondContact OG-O 2.93Å; V13-D17 HydrophobicContact CG1-CB 3.75Å; V13-K18 HydrophobicContact CG1-CG 3.84Å
14T86.7Confident78.8Confident59 Ų59116.8 Ų116.836%0.36256%0.564SS.*  trans-79.4164.6174.866.60000111Q16 D17 K18T14-Q16 VanDerWaalsContact CB-OE1 3.24Å; T14-Q16 PolarHBondContact O-N 3.18Å; T14-Q16 PolarHBondContact OG1-OE1 3.25Å; T14-D17 WeakPolarHBondContact CB-OD2 3.44Å; T14-D17 PolarHBondContact N-OD2 3.48Å; T14-D17 PolarHBondContact O-N 3.22Å; T14-D17 PolarHBondContact OG1-N 3.2Å; T14-D17 PolarHBondContact OG1-OD2 3.12Å; T14-K18 PolarHBondContact O-N 3.12Å
15E87.9Confident80.9Confident126 Ų126113.5 Ų113.559%0.58954%0.544SS*.Hα-helixtrans-63.1-31.2173.1-67.6-55.7128.700111.3K18 A19E15-K18 PolarHBondContact O-N 2.92Å; E15-K18 IonicContact OE1-NZ 2.73Å; E15-K18 PolarHBondContact OE1-NZ 3.36Å; E15-K18 IonicContact OE2-NZ 2.57Å; E15-A19 PolarHBondContact O-N 3.04Å
16Q88.4Confident82.7Confident70 Ų70108.4 Ų108.433%0.32752%0.523SS..Hα-helixtrans-64.8-42.9174.5-60.582.2-1100111.3T14 K18 A19 I20 I91 Q95T14-Q16 VanDerWaalsContact CB-OE1 3.24Å; T14-Q16 PolarHBondContact O-N 3.18Å; T14-Q16 PolarHBondContact OG1-OE1 3.25Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 2.97Å; Q16-A19 PolarHBondContact O-N 2.99Å; Q16-I20 WeakPolarHBondContact O-CG1 3.36Å; Q16-I20 PolarHBondContact O-N 3.27Å; Q16-I91 HydrophobicContact CB-CG2 4.35Å; Q16-Q95 HydrophobicContact CB-CG 4.37Å; Q16-Q95 HydrophobicContact CG-CG 4.29Å
17D90.4Very high84.2Confident65 Ų65108.1 Ų108.135%0.34850%0.503SS..Hα-helixtrans-61.5-40175.7-65.2-46.6000111.7V13 T14 I20 L21V13-D17 HydrophobicContact CG1-CB 3.75Å; T14-D17 WeakPolarHBondContact CB-OD2 3.44Å; T14-D17 PolarHBondContact N-OD2 3.48Å; T14-D17 PolarHBondContact O-N 3.22Å; T14-D17 PolarHBondContact OG1-N 3.2Å; T14-D17 PolarHBondContact OG1-OD2 3.12Å; D17-I20 PolarHBondContact O-N 3.49Å; D17-L21 WeakPolarHBondContact O-CB 3.5Å; D17-L21 PolarHBondContact O-N 2.94Å
18K92.5Very high86Confident83 Ų8399.5 Ų99.536%0.36148%0.475SS..Hα-helixtrans-63.3-43.4175.6-65.4175.9-172.2167.20111.2V13 T14 E15 Q16 L21 Q22V13-K18 HydrophobicContact CG1-CG 3.84Å; T14-K18 PolarHBondContact O-N 3.12Å; E15-K18 PolarHBondContact O-N 2.92Å; E15-K18 IonicContact OE1-NZ 2.73Å; E15-K18 PolarHBondContact OE1-NZ 3.36Å; E15-K18 IonicContact OE2-NZ 2.57Å; Q16-K18 VanDerWaalsContact C-N 3.3Å; Q16-K18 PolarHBondContact O-N 2.97Å; K18-L21 PolarHBondContact O-N 3.11Å; K18-Q22 WeakPolarHBondContact O-CG 3.44Å; K18-Q22 PolarHBondContact O-N 3.48Å
19A92Very high88Confident33 Ų3395.6 Ų95.627%0.27346%0.458SS..Hα-helixtrans-62.5-46.9176.800000111.6E15 Q16 L21 Q22 L23 I91E15-A19 PolarHBondContact O-N 3.04Å; Q16-A19 PolarHBondContact O-N 2.99Å; A19-L21 VanDerWaalsContact C-N 3.3Å; A19-L21 PolarHBondContact O-N 3.38Å; A19-Q22 PolarHBondContact O-N 3.48Å; A19-L23 WeakPolarHBondContact O-CG 3.35Å; A19-L23 PolarHBondContact O-N 3.18Å; A19-I91 HydrophobicContact CB-CD1 4.41Å
20I94.9Very high89.8Confident14 Ų1487 Ų877%0.07242%0.422CS..Hα-helixtrans-58.3-44.1175.8-70.4169.6000110.7Q16 D17 L23 K24 V88 I91 E92Q16-I20 WeakPolarHBondContact O-CG1 3.36Å; Q16-I20 PolarHBondContact O-N 3.27Å; D17-I20 PolarHBondContact O-N 3.49Å; I20-L23 PolarHBondContact O-N 3.42Å; I20-K24 HydrophobicContact CG2-CD 3.79Å; I20-K24 VanDerWaalsContact CG2-CE 3.46Å; I20-K24 HydrophobicContact CG2-CG 4.38Å; I20-K24 WeakPolarHBondContact O-CB 3.41Å; I20-K24 WeakPolarHBondContact O-CG 3.48Å; I20-K24 PolarHBondContact O-N 3.22Å; I20-V88 HydrophobicContact CG2-CG1 4.22Å; I20-I91 HydrophobicContact CD1-CG2 3.95Å; I20-I91 HydrophobicContact CG1-CB 4.33Å; I20-I91 HydrophobicContact CG1-CG2 3.82Å; I20-E92 HydrophobicContact CD1-CG 3.86Å
21L95.4Very high91.5Very high97 Ų9783.4 Ų83.451%0.50840%0.4SS..Hα-helixtrans-61.5-45.7178.2-179.265000111.6D17 K18 A19 K24 Q25D17-L21 WeakPolarHBondContact O-CB 3.5Å; D17-L21 PolarHBondContact O-N 2.94Å; K18-L21 PolarHBondContact O-N 3.11Å; A19-L21 VanDerWaalsContact C-N 3.3Å; A19-L21 PolarHBondContact O-N 3.38Å; L21-K24 PolarHBondContact O-N 3.48Å; L21-Q25 VanDerWaalsContact O-CG 3.31Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 3.44Å
22Q95.6Very high92.9Very high134 Ų13485.2 Ų85.263%0.62640%0.399SS*.Hα-helixtrans-62-43.7178.2-74.1177.1-10.800111.9K18 A19 Q25 Q26K18-Q22 WeakPolarHBondContact O-CG 3.44Å; K18-Q22 PolarHBondContact O-N 3.48Å; A19-Q22 PolarHBondContact O-N 3.48Å; Q22-Q25 PolarHBondContact O-N 3.5Å; Q22-Q26 PolarHBondContact O-N 2.88Å
23L96.7Very high93.8Very high32 Ų3277.7 Ų77.717%0.16837%0.371CS..Hα-helixtrans-62.6-44.1176.1-69.6171.8000111.7A19 I20 Q26 R27 L84 M87 V88 I91A19-L23 WeakPolarHBondContact O-CG 3.35Å; A19-L23 PolarHBondContact O-N 3.18Å; I20-L23 PolarHBondContact O-N 3.42Å; L23-Q26 PolarHBondContact O-N 3.23Å; L23-R27 WeakPolarHBondContact O-CB 3.48Å; L23-R27 PolarHBondContact O-N 3.04Å; L23-L84 HydrophobicContact CD2-CD2 3.64Å; L23-M87 HydrophobicContact CD1-CB 4.18Å; L23-M87 HydrophobicContact CD2-CE 4.36Å; L23-V88 HydrophobicContact CB-CG2 3.64Å; L23-V88 HydrophobicContact CD1-CG2 3.94Å; L23-V88 HydrophobicContact CG-CG2 4.46Å; L23-I91 HydrophobicContact CD1-CD1 3.45Å; L23-I91 VanDerWaalsContact CD1-CD1 3.45Å
24K96.4Very high94.4Very high70 Ų7076.8 Ų76.830%0.30436%0.362SS..Hα-helixtrans-61.8-44176-74.8175.3-179.9168.60111.4I20 L21 Q26 R27 D28 V88 E92I20-K24 HydrophobicContact CG2-CD 3.79Å; I20-K24 VanDerWaalsContact CG2-CE 3.46Å; I20-K24 HydrophobicContact CG2-CG 4.38Å; I20-K24 WeakPolarHBondContact O-CB 3.41Å; I20-K24 WeakPolarHBondContact O-CG 3.48Å; I20-K24 PolarHBondContact O-N 3.22Å; L21-K24 PolarHBondContact O-N 3.48Å; K24-Q26 VanDerWaalsContact C-N 3.35Å; K24-Q26 PolarHBondContact O-N 2.99Å; K24-R27 WeakPolarHBondContact O-CB 3.49Å; K24-R27 PolarHBondContact O-N 3.06Å; K24-D28 PolarHBondContact O-N 3.15Å; K24-V88 HydrophobicContact CG-CG2 4.42Å; K24-E92 IonicContact NZ-OE1 2.68Å
25Q97.4Very high94.9Very high97 Ų9780.7 Ų80.745%0.45337%0.374SS..Hα-helixtrans-60.7-42.6174.9-73.8178.611.200112.3L21 Q22 D28 K29L21-Q25 VanDerWaalsContact O-CG 3.31Å; L21-Q25 WeakPolarHBondContact O-CG 3.48Å; L21-Q25 PolarHBondContact O-N 3.44Å; Q22-Q25 PolarHBondContact O-N 3.5Å; Q25-D28 PolarHBondContact O-N 3.49Å; Q25-K29 WeakPolarHBondContact O-CG 3.42Å; Q25-K29 PolarHBondContact O-N 2.86Å
26Q96.8Very high95.3Very high89 Ų8982.1 Ų82.142%0.41637%0.374SS..Hα-helixtrans-65.5-42.4177.7-174.860.316.500111.6Q22 L23 K24 D28 K29 L30 L84Q22-Q26 PolarHBondContact O-N 2.88Å; L23-Q26 PolarHBondContact O-N 3.23Å; K24-Q26 VanDerWaalsContact C-N 3.35Å; K24-Q26 PolarHBondContact O-N 2.99Å; Q26-D28 VanDerWaalsContact C-N 3.32Å; Q26-D28 PolarHBondContact O-N 3.26Å; Q26-K29 PolarHBondContact O-N 3.26Å; Q26-L30 WeakPolarHBondContact O-CG 3.44Å; Q26-L30 PolarHBondContact O-N 3.02Å; Q26-L84 HydrophobicContact CB-CD1 4.28Å; Q26-L84 HydrophobicContact CG-CD1 3.93Å; Q26-L84 HydrophobicContact CG-CD2 4.35Å
27R96.6Very high95.5Very high53 Ų5379.2 Ų79.220%0.236%0.361CS..Hα-helixtrans-58.4-45.7174.5-177.8-158.564-165.1-4111.1L23 K24 K29 L30 R31 I81 L84 E85L23-R27 WeakPolarHBondContact O-CB 3.48Å; L23-R27 PolarHBondContact O-N 3.04Å; K24-R27 WeakPolarHBondContact O-CB 3.49Å; K24-R27 PolarHBondContact O-N 3.06Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.32Å; R27-L30 PolarHBondContact O-N 3.15Å; R27-L30 VanDerWaalsContact O-N 3.17Å; R27-R31 WeakPolarHBondContact O-CG 3.32Å; R27-R31 PolarHBondContact O-N 3.35Å; R27-I81 HydrophobicContact CG-CG2 4.05Å; R27-L84 HydrophobicContact CB-CB 4.33Å; R27-L84 HydrophobicContact CB-CD1 4.04Å; R27-E85 WeakPolarHBondContact CD-OE1 3.42Å; R27-E85 HydrophobicContact CG-CG 4.41Å
28D97.2Very high95.7Very high63 Ų6378 Ų7834%0.33736%0.36SS..Hα-helixtrans-67.1-36.5-178.4-64.2-13000111.6K24 Q25 Q26 R31 Q32K24-D28 PolarHBondContact O-N 3.15Å; Q25-D28 PolarHBondContact O-N 3.49Å; Q26-D28 VanDerWaalsContact C-N 3.32Å; Q26-D28 PolarHBondContact O-N 3.26Å; D28-R31 PolarHBondContact O-N 2.93Å; D28-Q32 WeakPolarHBondContact O-CG 3.45Å; D28-Q32 PolarHBondContact O-N 3.44Å
29K97.2Very high95.9Very high122 Ų12278 Ų7853%0.5336%0.361SS..Hα-helixtrans-61.7-42.5170.6-73.1174.2-176.9174.60112.1Q25 Q26 R27 Q32 Y33Q25-K29 WeakPolarHBondContact O-CG 3.42Å; Q25-K29 PolarHBondContact O-N 2.86Å; Q26-K29 PolarHBondContact O-N 3.26Å; R27-K29 VanDerWaalsContact C-N 3.34Å; R27-K29 PolarHBondContact O-N 3.32Å; K29-Q32 PolarHBondContact O-N 3.35Å; K29-Y33 PolarHBondContact O-N 3.38Å
30L96.9Very high95.9Very high22 Ų2280.3 Ų80.312%0.11537%0.366CS..Hα-helixtrans-65.1-40.9175.8-70.1-177.8000111.7Q26 R27 Q32 Y33 Q34 T77 Q80 I81 L84Q26-L30 WeakPolarHBondContact O-CG 3.44Å; Q26-L30 PolarHBondContact O-N 3.02Å; R27-L30 PolarHBondContact O-N 3.15Å; R27-L30 VanDerWaalsContact O-N 3.17Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.57Å; L30-Y33 CarbonylContact O-C 3.35Å; L30-Y33 WeakPolarHBondContact O-CB 3.48Å; L30-Y33 PolarHBondContact O-N 3.44Å; L30-Y33 VanDerWaalsContact O-N 3.11Å; L30-Q34 WeakPolarHBondContact O-CB 3.32Å; L30-Q34 PolarHBondContact O-N 3.32Å; L30-T77 HydrophobicContact CB-CG2 4.09Å; L30-T77 HydrophobicContact CD2-CG2 4.27Å; L30-Q80 HydrophobicContact CD1-CB 3.8Å; L30-I81 HydrophobicContact CB-CD1 4.03Å; L30-I81 HydrophobicContact CB-CG1 3.67Å; L30-I81 HydrophobicContact CD1-CG1 4.13Å; L30-L84 HydrophobicContact CD1-CD1 3.57Å
31R97Very high95.9Very high116 Ų11680.9 Ų80.944%0.43837%0.369SS..Hα-helixtrans-60.8-40.6173.9-72.8-179176-159.40.1112.1R27 D28 Y33 Q34 K35 I81 E85R27-R31 WeakPolarHBondContact O-CG 3.32Å; R27-R31 PolarHBondContact O-N 3.35Å; D28-R31 PolarHBondContact O-N 2.93Å; R31-Y33 VanDerWaalsContact C-N 3.34Å; R31-Q34 PolarHBondContact O-N 3.1Å; R31-K35 PolarHBondContact O-N 2.92Å; R31-I81 HydrophobicContact CG-CD1 3.88Å; R31-I81 HydrophobicContact CG-CG1 4.49Å; R31-E85 IonicContact CZ-OE1 3.95Å; R31-E85 IonicContact NE-OE1 3.73Å; R31-E85 IonicContact NH2-OE1 3.66Å; R31-E85 PolarHBondContact NH2-OE1 3.21Å
32Q97Very high95.8Very high124 Ų12482.6 Ų82.658%0.57938%0.375SS*.Hα-helixtrans-64.5-38.3173.4-70.2174.426.800112.3D28 K29 L30 R36D28-Q32 WeakPolarHBondContact O-CG 3.45Å; D28-Q32 PolarHBondContact O-N 3.44Å; K29-Q32 PolarHBondContact O-N 3.35Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 2.57Å; Q32-R36 WeakPolarHBondContact O-CG 3.33Å; Q32-R36 PolarHBondContact O-N 3.3Å; Q32-R36 VanDerWaalsContact O-N 3.15Å; Q32-R36 PolarHBondContact O-NE 2.89Å
33Y95.6Very high95.7Very high88 Ų8884.3 Ų84.335%0.34538%0.376SS..Hα-helixtrans-64.7-45.9174-179.1-116.7000111.9K29 L30 R31 K35 R36 I37 T77K29-Y33 PolarHBondContact O-N 3.38Å; L30-Y33 CarbonylContact O-C 3.35Å; L30-Y33 WeakPolarHBondContact O-CB 3.48Å; L30-Y33 PolarHBondContact O-N 3.44Å; L30-Y33 VanDerWaalsContact O-N 3.11Å; R31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-K35 VanDerWaalsContact C-N 3.34Å; Y33-K35 PolarHBondContact O-N 3.05Å; Y33-R36 PolarHBondContact O-N 2.91Å; Y33-R36 VanDerWaalsContact O-N 3.15Å; Y33-I37 HydrophobicContact CD1-CD1 3.67Å; Y33-I37 HydrophobicContact CD2-CD1 4.21Å; Y33-I37 HydrophobicContact CD2-CG1 4.4Å; Y33-I37 HydrophobicContact CE1-CD1 3.18Å; Y33-I37 HydrophobicContact CE1-CG1 4.29Å; Y33-I37 HydrophobicContact CE2-CD1 3.78Å; Y33-I37 HydrophobicContact CE2-CG1 4.04Å; Y33-I37 HydrophobicContact CG-CD1 4.17Å; Y33-I37 PolarHBondContact O-N 3.21Å; Y33-T77 HydrophobicContact CD1-CG2 4.17Å
34Q95.1Very high95.5Very high56 Ų5683.3 Ų83.326%0.26237%0.37SS..Hα-helixtrans-55.2-48175.1-167-172.122.500111.2L30 R31 R36 I37 A38 L74 T77L30-Q34 WeakPolarHBondContact O-CB 3.32Å; L30-Q34 PolarHBondContact O-N 3.32Å; R31-Q34 PolarHBondContact O-N 3.1Å; Q34-R36 PolarHBondContact O-N 3.39Å; Q34-I37 PolarHBondContact O-N 3.08Å; Q34-A38 WeakPolarHBondContact O-CB 3.5Å; Q34-A38 PolarHBondContact O-N 3.05Å; Q34-L74 HydrophobicContact CB-CD2 4.28Å; Q34-L74 HydrophobicContact CG-CD2 3.61Å; Q34-T77 HydrophobicContact CB-CG2 4.35Å
35K96.1Very high95.3Very high140 Ų14087 Ų8761%0.60938%0.382SS*.Hα-helixtrans-60.2-41.7177.2-173.6175.8-178.7177.10112.6R31 Y33 A38 Q39R31-K35 PolarHBondContact O-N 2.92Å; Y33-K35 VanDerWaalsContact C-N 3.34Å; Y33-K35 PolarHBondContact O-N 3.05Å; K35-A38 PolarHBondContact O-N 3.06Å; K35-Q39 WeakPolarHBondContact O-CG 3.41Å; K35-Q39 PolarHBondContact O-N 3.46Å; K35-Q39 VanDerWaalsContact O-N 3.12Å
36R95.8Very high95.1Very high156 Ų15684 Ų8459%0.58937%0.374SS*.Hα-helixtrans-64.4-44.9177.7-75.4-177-69.2161.7-2.6111.9Q32 Y33 Q34 Q39 Q40Q32-R36 WeakPolarHBondContact O-CG 3.33Å; Q32-R36 PolarHBondContact O-N 3.3Å; Q32-R36 VanDerWaalsContact O-N 3.15Å; Q32-R36 PolarHBondContact O-NE 2.89Å; Y33-R36 PolarHBondContact O-N 2.91Å; Y33-R36 VanDerWaalsContact O-N 3.15Å; Q34-R36 PolarHBondContact O-N 3.39Å; R36-Q39 PolarHBondContact O-N 2.96Å; R36-Q40 PolarHBondContact O-N 2.92Å; R36-Q40 VanDerWaalsContact O-N 3.08Å
37I94.2Very high95Very high10 Ų1084 Ų845%0.05138%0.376CS..Hα-helixtrans-66.3-42177.9-62.1164.6000110.7Y33 Q34 Q39 Q40 L41 Q70 L74Y33-I37 HydrophobicContact CD1-CD1 3.67Å; Y33-I37 HydrophobicContact CD2-CD1 4.21Å; Y33-I37 HydrophobicContact CD2-CG1 4.4Å; Y33-I37 HydrophobicContact CE1-CD1 3.18Å; Y33-I37 HydrophobicContact CE1-CG1 4.29Å; Y33-I37 HydrophobicContact CE2-CD1 3.78Å; Y33-I37 HydrophobicContact CE2-CG1 4.04Å; Y33-I37 HydrophobicContact CG-CD1 4.17Å; Y33-I37 PolarHBondContact O-N 3.21Å; Q34-I37 PolarHBondContact O-N 3.08Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 2.73Å; I37-Q40 WeakPolarHBondContact O-CB 3.45Å; I37-Q40 PolarHBondContact O-N 3.2Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 PolarHBondContact O-N 3.46Å; I37-Q70 HydrophobicContact CG2-CB 4.09Å; I37-L74 HydrophobicContact CB-CD2 3.77Å; I37-L74 HydrophobicContact CB-CG 4.12Å; I37-L74 HydrophobicContact CD1-CD2 4.21Å; I37-L74 HydrophobicContact CG2-CD1 3.86Å; I37-L74 HydrophobicContact CG2-CD2 3.9Å; I37-L74 HydrophobicContact CG2-CG 3.64Å
38A93.9Very high94.8Very high39 Ų3981.7 Ų81.732%0.32237%0.368SS..Hα-helixtrans-57.4-45.6177.900000111.9Q34 K35 Q40 L41 E42Q34-A38 WeakPolarHBondContact O-CB 3.5Å; Q34-A38 PolarHBondContact O-N 3.05Å; K35-A38 PolarHBondContact O-N 3.06Å; A38-Q40 PolarHBondContact O-N 3.33Å; A38-L41 WeakPolarHBondContact O-CB 3.28Å; A38-L41 PolarHBondContact O-N 3.1Å; A38-E42 PolarHBondContact O-N 3.23Å; A38-E42 VanDerWaalsContact O-N 3.1Å
39Q95.3Very high94.7Very high84 Ų8484.2 Ų84.239%0.39337%0.373SS..Hα-helixtrans-62.8-39.7174.8-71.4178.1-200112.7K35 R36 I37 L41 R43K35-Q39 WeakPolarHBondContact O-CG 3.41Å; K35-Q39 PolarHBondContact O-N 3.46Å; K35-Q39 VanDerWaalsContact O-N 3.12Å; R36-Q39 PolarHBondContact O-N 2.96Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 2.73Å; Q39-L41 VanDerWaalsContact C-N 3.32Å; Q39-R43 WeakPolarHBondContact O-CG 3.39Å; Q39-R43 PolarHBondContact O-N 3.08Å
40Q93.3Very high94.5Very high81 Ų8183.4 Ų83.438%0.37937%0.371SS..Hα-helixtrans-64-40.6175.7-179.7171.9-4.800111.3R36 I37 A38 E42 R43 E44R36-Q40 PolarHBondContact O-N 2.92Å; R36-Q40 VanDerWaalsContact O-N 3.08Å; I37-Q40 WeakPolarHBondContact O-CB 3.45Å; I37-Q40 PolarHBondContact O-N 3.2Å; I37-Q40 VanDerWaalsContact O-N 3.1Å; A38-Q40 PolarHBondContact O-N 3.33Å; Q40-E42 VanDerWaalsContact C-N 3.35Å; Q40-E42 PolarHBondContact O-N 2.84Å; Q40-R43 WeakPolarHBondContact O-CB 3.46Å; Q40-R43 PolarHBondContact O-N 3.1Å; Q40-E44 HydrophobicContact CG-CG 4.35Å; Q40-E44 PolarHBondContact NE2-OE1 2.92Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 3.11Å
41L94.2Very high94.4Very high25 Ų2584 Ų8413%0.13137%0.374CS..Hα-helixtrans-64.8-37.9-179.2-171.4139.7000112.3I37 A38 Q39 E44 R45 K67 Q70 E71 L74I37-L41 WeakPolarHBondContact O-CB 3.42Å; I37-L41 PolarHBondContact O-N 3.46Å; A38-L41 WeakPolarHBondContact O-CB 3.28Å; A38-L41 PolarHBondContact O-N 3.1Å; Q39-L41 VanDerWaalsContact C-N 3.32Å; L41-E44 PolarHBondContact O-N 3.37Å; L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 PolarHBondContact O-N 3.03Å; L41-K67 HydrophobicContact CD1-CG 4.09Å; L41-K67 HydrophobicContact CG-CG 4.11Å; L41-Q70 HydrophobicContact CD1-CB 4.46Å; L41-E71 HydrophobicContact CD1-CG 3.39Å; L41-L74 HydrophobicContact CD1-CD1 4.25Å
42E93.2Very high94.2Very high134 Ų13483 Ų8363%0.62638%0.377SS*.Hα-helixtrans-61.8-43172.7-71.6178.8168.200112.4A38 Q40 R45 A46A38-E42 PolarHBondContact O-N 3.23Å; A38-E42 VanDerWaalsContact O-N 3.1Å; Q40-E42 VanDerWaalsContact C-N 3.35Å; Q40-E42 PolarHBondContact O-N 2.84Å; E42-R45 WeakPolarHBondContact O-CB 3.42Å; E42-R45 PolarHBondContact O-N 3.45Å; E42-A46 PolarHBondContact O-N 2.74Å
43R93.8Very high94.1Very high170 Ų17087.1 Ų87.164%0.64239%0.387SS*.Hα-helixtrans-64.5-46.2176.2-64.5174.1-166173.84.3111.2Q39 Q40 R45 A46 L47Q39-R43 WeakPolarHBondContact O-CG 3.39Å; Q39-R43 PolarHBondContact O-N 3.08Å; Q40-R43 WeakPolarHBondContact O-CB 3.46Å; Q40-R43 PolarHBondContact O-N 3.1Å; R43-R45 VanDerWaalsContact C-N 3.27Å; R43-R45 PolarHBondContact O-N 2.92Å; R43-A46 PolarHBondContact O-N 2.96Å; R43-A46 VanDerWaalsContact O-N 3.15Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.23Å
44E92.3Very high94.1Very high10 Ų1087.9 Ų87.95%0.04740%0.397CS..Hα-helixtrans-62.7-35.7177.2-69.7-170.9-169.600111.4Q40 L41 L47 A48 L63 K66 Q70Q40-E44 HydrophobicContact CG-CG 4.35Å; Q40-E44 PolarHBondContact NE2-OE1 2.92Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 3.11Å; L41-E44 PolarHBondContact O-N 3.37Å; E44-L47 PolarHBondContact O-N 3.47Å; E44-A48 VanDerWaalsContact O-CB 3.32Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.12Å; E44-L63 HydrophobicContact CB-CD1 4.13Å; E44-L63 HydrophobicContact CB-CG 4.46Å; E44-L63 HydrophobicContact CG-CD1 4.05Å; E44-L63 WeakPolarHBondContact O-CD2 3.31Å; E44-K66 VanDerWaalsContact OE1-CE 3.28Å; E44-K66 WeakPolarHBondContact OE1-CE 3.37Å; E44-K66 IonicContact OE1-NZ 3.35Å; E44-K66 PolarHBondContact OE1-NZ 2.96Å; E44-Q70 PolarHBondContact OE1-NE2 3.39Å; E44-Q70 PolarHBondContact OE2-OE1 3.38Å; E44-Q70 VanDerWaalsContact OE2-OE1 3.08Å
45R92.3Very high94Very high148 Ų14887.7 Ų87.756%0.55841%0.411SS*.Hα-helixtrans-64.7-40.6173.4-167.8-177.1179.6-178.80.1112.2L41 E42 R43 R49L41-R45 WeakPolarHBondContact O-CB 3.47Å; L41-R45 PolarHBondContact O-N 3.03Å; E42-R45 WeakPolarHBondContact O-CB 3.42Å; E42-R45 PolarHBondContact O-N 3.45Å; R43-R45 VanDerWaalsContact C-N 3.27Å; R43-R45 PolarHBondContact O-N 2.92Å; R45-R49 WeakPolarHBondContact O-CG 3.35Å; R45-R49 PolarHBondContact O-N 3.38Å
46A94.1Very high94Very high35 Ų3587.2 Ų87.229%0.28941%0.405SS..Hα-helixtrans-66-45175.600000112E42 R43 A48 R49 Q50E42-A46 PolarHBondContact O-N 2.74Å; R43-A46 PolarHBondContact O-N 2.96Å; R43-A46 VanDerWaalsContact O-N 3.15Å; A46-A48 PolarHBondContact O-N 3.27Å; A46-R49 WeakPolarHBondContact O-CB 3.26Å; A46-R49 PolarHBondContact O-N 3.21Å; A46-Q50 PolarHBondContact O-N 3.45Å
47L94.4Very high93.8Very high88 Ų8887.2 Ų87.246%0.46141%0.41SS..Hα-helixtrans-62.7-40.4176.3-70.6172.6000112.1R43 E44 R49 Q50 L51 L63R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.23Å; E44-L47 PolarHBondContact O-N 3.47Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3Å; L47-Q50 PolarHBondContact O-N 3.35Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 2.84Å; L47-L63 HydrophobicContact CB-CD2 3.76Å
48A92.5Very high93.7Very high4 Ų493 Ų933%0.03344%0.437CS..Hα-helixtrans-61.5-40.7175.700000111.7E44 A46 L51 L52 L63 L64E44-A48 VanDerWaalsContact O-CB 3.32Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.12Å; A46-A48 PolarHBondContact O-N 3.27Å; A48-L51 PolarHBondContact O-N 2.89Å; A48-L52 WeakPolarHBondContact O-CG 3.41Å; A48-L52 PolarHBondContact O-N 3.27Å; A48-L52 VanDerWaalsContact O-N 3.12Å; A48-L63 HydrophobicContact CB-CD2 3.92Å; A48-L63 HydrophobicContact CB-CG 4.39Å; A48-L64 HydrophobicContact CB-CD2 4.12Å; A48-L64 HydrophobicContact CB-CG 4.45Å
49R93.7Very high93.7Very high116 Ų11698.4 Ų98.444%0.43845%0.448SS..Hα-helixtrans-64.4-39.8174.9-73-177.1-66.8-116.7-1.7112.4R45 A46 L47 L52 R53R45-R49 WeakPolarHBondContact O-CG 3.35Å; R45-R49 PolarHBondContact O-N 3.38Å; A46-R49 WeakPolarHBondContact O-CB 3.26Å; A46-R49 PolarHBondContact O-N 3.21Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3Å; R49-L52 PolarHBondContact O-N 3.48Å; R49-R53 WeakPolarHBondContact O-CG 3.46Å; R49-R53 PolarHBondContact O-N 2.9Å
50Q94.6Very high93.6Very high106 Ų10694.4 Ų94.450%0.49543%0.43SS..Hα-helixtrans-64.3-48.4175.9-72175.3-11.200111.2A46 L47 L52 R53 D54A46-Q50 PolarHBondContact O-N 3.45Å; L47-Q50 PolarHBondContact O-N 3.35Å; Q50-L52 PolarHBondContact O-N 3.05Å; Q50-R53 WeakPolarHBondContact O-CB 3.49Å; Q50-R53 PolarHBondContact O-N 3.48Å; Q50-D54 PolarHBondContact O-N 2.99Å
51L94.5Very high93.6Very high33 Ų3396.1 Ų96.117%0.17344%0.436CS..Hα-helixtrans-59.7-32.2178.2-72171.8000113.5L47 A48 G55 R56 R59 A60 L63L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 2.84Å; A48-L51 PolarHBondContact O-N 2.89Å; L51-G55 PolarHBondContact O-N 3.4Å; L51-R56 HydrophobicContact CD2-CB 4.24Å; L51-R56 PolarHBondContact O-N 3.4Å; L51-R59 HydrophobicContact CD1-CB 4.16Å; L51-R59 HydrophobicContact CD2-CB 4.42Å; L51-A60 HydrophobicContact CB-CB 3.98Å; L51-L63 HydrophobicContact CD1-CD2 4.12Å
52L93.1Very high93.6Very high95 Ų95100.5 Ų100.550%0.49746%0.459SS..Hα-helixtrans-69.8-38.6173.7-73.1173.2000112.5A48 R49 Q50 D54 G55 A60A48-L52 WeakPolarHBondContact O-CG 3.41Å; A48-L52 PolarHBondContact O-N 3.27Å; A48-L52 VanDerWaalsContact O-N 3.12Å; R49-L52 PolarHBondContact O-N 3.48Å; Q50-L52 PolarHBondContact O-N 3.05Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-G55 PolarHBondContact O-N 2.99Å; L52-A60 HydrophobicContact CD2-CB 3.7Å; L52-A60 HydrophobicContact CG-CB 3.83Å
53R94.4Very high93.6Very high211 Ų21195.4 Ų95.480%0.79644%0.436SS*.Hα-helixtrans-66-36.6174.3-67.9177.5-170.7-175.71111.6R49 Q50 G55R49-R53 WeakPolarHBondContact O-CG 3.46Å; R49-R53 PolarHBondContact O-N 2.9Å; Q50-R53 WeakPolarHBondContact O-CB 3.49Å; Q50-R53 PolarHBondContact O-N 3.48Å; R53-G55 PolarHBondContact O-N 3.31Å
54D95.1Very high93.5Very high104 Ų10491.3 Ų91.356%0.55643%0.426SS*.THydrogen-bonded Turntrans-75.44177.4-59.5-17.3000113.5Q50 L52 R56Q50-D54 PolarHBondContact O-N 2.99Å; L52-D54 VanDerWaalsContact C-N 3.32Å; D54-R56 HydrophobicContact CB-CG 4.33Å; D54-R56 PolarHBondContact O-N 2.81Å
55G93.5Very high93.6Very high53 Ų5397.1 Ų97.155%0.54645%0.451SS..THydrogen-bonded Turntrans72.33.8-178.500000115.1L51 L52 R53 K57L51-G55 PolarHBondContact O-N 3.4Å; L52-G55 PolarHBondContact O-N 2.99Å; R53-G55 PolarHBondContact O-N 3.31Å; G55-K57 VanDerWaalsContact C-N 3.29Å; G55-K57 PolarHBondContact O-N 3.4Å
56R95Very high93.7Very high129 Ų12994.8 Ų94.849%0.48745%0.445SS..  trans-8462.7-176.5-64.9177.2175.2179.8-1.1112.2L51 D54 E58 R59 A60L51-R56 HydrophobicContact CD2-CB 4.24Å; L51-R56 PolarHBondContact O-N 3.4Å; D54-R56 HydrophobicContact CB-CG 4.33Å; D54-R56 PolarHBondContact O-N 2.81Å; R56-E58 PolarHBondContact O-N 3.27Å; R56-R59 HydrophobicContact CB-CB 4.44Å; R56-R59 PolarHBondContact O-N 2.91Å; R56-A60 PolarHBondContact O-N 3.15Å; R56-A60 VanDerWaalsContact O-N 3.12Å
57K92.5Very high93.6Very high157 Ų15795 Ų9568%0.68344%0.44SS*.Hα-helixtrans-55.1-45.8-174.1-67.5-176179.1178.60114.2G55 R59 A60 K61G55-K57 VanDerWaalsContact C-N 3.29Å; G55-K57 PolarHBondContact O-N 3.4Å; K57-R59 PolarHBondContact O-N 3.5Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 3.15Å; K57-K61 PolarHBondContact O-N 3Å
58E93.2Very high93.7Very high132 Ų13298.6 Ų98.662%0.61745%0.447SS*.Hα-helixtrans-63.8-40.9-178-67.6-51.4124.400112.7R56 K61 L62R56-E58 PolarHBondContact O-N 3.27Å; E58-K61 PolarHBondContact O-N 2.9Å; E58-L62 PolarHBondContact O-N 3.32Å; E58-L62 VanDerWaalsContact O-N 3.12Å
59R93.3Very high93.7Very high151 Ų151104.5 Ų104.557%0.5747%0.47SS*.Hα-helixtrans-66.7-40.4175.9-67.2-174.6179.4176.2-0111.4L51 R56 K57 K61 L62 L63L51-R59 HydrophobicContact CD1-CB 4.16Å; L51-R59 HydrophobicContact CD2-CB 4.42Å; R56-R59 HydrophobicContact CB-CB 4.44Å; R56-R59 PolarHBondContact O-N 2.91Å; K57-R59 PolarHBondContact O-N 3.5Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 2.9Å; R59-L62 PolarHBondContact O-N 2.95Å; R59-L63 PolarHBondContact O-N 3.2Å; R59-L63 VanDerWaalsContact O-N 3.11Å
60A93.2Very high93.8Very high0 Ų099.7 Ų99.70%045%0.452CS..Hα-helixtrans-61.3-42174.900000111.7L51 L52 R56 K57 L62 L63 L64L51-A60 HydrophobicContact CB-CB 3.98Å; L52-A60 HydrophobicContact CD2-CB 3.7Å; L52-A60 HydrophobicContact CG-CB 3.83Å; R56-A60 PolarHBondContact O-N 3.15Å; R56-A60 VanDerWaalsContact O-N 3.12Å; K57-A60 WeakPolarHBondContact O-CB 3.4Å; K57-A60 PolarHBondContact O-N 3.15Å; A60-L62 PolarHBondContact O-N 3.41Å; A60-L63 PolarHBondContact O-N 3.05Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.29Å
61K93.2Very high93.8Very high117 Ų11797.7 Ų97.751%0.50944%0.442SS..Hα-helixtrans-61-43.8176.8-174.4178.7-178.4-179.30112.4K57 E58 R59 L63 L64 K65K57-K61 PolarHBondContact O-N 3Å; E58-K61 PolarHBondContact O-N 2.9Å; R59-K61 VanDerWaalsContact C-N 3.33Å; R59-K61 PolarHBondContact O-N 2.9Å; K61-L63 VanDerWaalsContact C-N 3.35Å; K61-L64 PolarHBondContact O-N 3.35Å; K61-K65 WeakPolarHBondContact O-CG 3.47Å; K61-K65 PolarHBondContact O-N 3.47Å
62L93.8Very high93.8Very high118 Ų11899.8 Ų99.862%0.61845%0.452SS*.Hα-helixtrans-61.4-42.9175.5-71174.7000112E58 R59 A60 L64 K65 K66E58-L62 PolarHBondContact O-N 3.32Å; E58-L62 VanDerWaalsContact O-N 3.12Å; R59-L62 PolarHBondContact O-N 2.95Å; A60-L62 PolarHBondContact O-N 3.41Å; L62-L64 PolarHBondContact O-N 2.98Å; L62-K65 WeakPolarHBondContact O-CB 3.49Å; L62-K65 PolarHBondContact O-N 2.94Å; L62-K66 PolarHBondContact O-N 3Å
63L93.3Very high93.8Very high27 Ų2797.1 Ų97.114%0.14144%0.437CS..Hα-helixtrans-65.3-39177.9-171.459.4000112.1E44 L47 A48 L51 R59 A60 K61 K65 K66 K67E44-L63 HydrophobicContact CB-CD1 4.13Å; E44-L63 HydrophobicContact CB-CG 4.46Å; E44-L63 HydrophobicContact CG-CD1 4.05Å; E44-L63 WeakPolarHBondContact O-CD2 3.31Å; L47-L63 HydrophobicContact CB-CD2 3.76Å; A48-L63 HydrophobicContact CB-CD2 3.92Å; A48-L63 HydrophobicContact CB-CG 4.39Å; L51-L63 HydrophobicContact CD1-CD2 4.12Å; R59-L63 PolarHBondContact O-N 3.2Å; R59-L63 VanDerWaalsContact O-N 3.11Å; A60-L63 PolarHBondContact O-N 3.05Å; K61-L63 VanDerWaalsContact C-N 3.35Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 2.93Å; L63-K66 HydrophobicContact CD1-CD 4.39Å; L63-K66 WeakPolarHBondContact O-CB 3.46Å; L63-K66 PolarHBondContact O-N 3.11Å; L63-K67 WeakPolarHBondContact O-CB 3.4Å; L63-K67 PolarHBondContact O-N 3.4Å
64L92.4Very high93.9Very high83 Ų8388.3 Ų88.344%0.43541%0.406SS..Hα-helixtrans-65.7-35.2174.7-70173.5000112.8A48 A60 K61 L62 K67 R68A48-L64 HydrophobicContact CB-CD2 4.12Å; A48-L64 HydrophobicContact CB-CG 4.45Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 3.29Å; K61-L64 PolarHBondContact O-N 3.35Å; L62-L64 PolarHBondContact O-N 2.98Å; L64-K67 HydrophobicContact CD2-CD 4.26Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.42Å; L64-R68 PolarHBondContact O-N 3.34Å
65K94.2Very high93.9Very high132 Ų13287.6 Ų87.657%0.57440%0.402SS*.Hα-helixtrans-63.1-44.5171.8-73.2-179.1176.8-173.90111.4K61 L62 L63 R68 Y69K61-K65 WeakPolarHBondContact O-CG 3.47Å; K61-K65 PolarHBondContact O-N 3.47Å; L62-K65 WeakPolarHBondContact O-CB 3.49Å; L62-K65 PolarHBondContact O-N 2.94Å; L63-K65 VanDerWaalsContact C-N 3.35Å; L63-K65 PolarHBondContact O-N 2.93Å; K65-R68 PolarHBondContact O-N 3.38Å; K65-Y69 PolarHBondContact O-N 3.17Å; K65-Y69 VanDerWaalsContact O-N 3.15Å
66K93.2Very high94Very high100 Ų10092.3 Ų92.344%0.43540%0.403SS..Hα-helixtrans-60.5-45.2175.3-173.4-170.3178.9-157.70111.6E44 L62 L63 R68 Y69 Q70E44-K66 VanDerWaalsContact OE1-CE 3.28Å; E44-K66 WeakPolarHBondContact OE1-CE 3.37Å; E44-K66 IonicContact OE1-NZ 3.35Å; E44-K66 PolarHBondContact OE1-NZ 2.96Å; L62-K66 PolarHBondContact O-N 3Å; L63-K66 HydrophobicContact CD1-CD 4.39Å; L63-K66 WeakPolarHBondContact O-CB 3.46Å; L63-K66 PolarHBondContact O-N 3.11Å; K66-R68 PolarHBondContact O-N 3.08Å; K66-Y69 WeakPolarHBondContact O-CB 3.31Å; K66-Y69 PolarHBondContact O-N 3.32Å; K66-Q70 PolarHBondContact O-N 2.85Å
67K93.5Very high94.1Very high39 Ų3986.4 Ų86.417%0.1738%0.382CS..Hα-helixtrans-55-50.3173.9175.1-176.7172.5-76.30111.5L41 L63 L64 Y69 Q70 E71L41-K67 HydrophobicContact CD1-CG 4.09Å; L41-K67 HydrophobicContact CG-CG 4.11Å; L63-K67 WeakPolarHBondContact O-CB 3.4Å; L63-K67 PolarHBondContact O-N 3.4Å; L64-K67 HydrophobicContact CD2-CD 4.26Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.42Å; K67-Y69 VanDerWaalsContact C-N 3.27Å; K67-Y69 PolarHBondContact O-N 2.68Å; K67-Q70 WeakPolarHBondContact O-CB 3.45Å; K67-Q70 PolarHBondContact O-N 3.19Å; K67-E71 WeakPolarHBondContact CE-OE1 3.48Å; K67-E71 VanDerWaalsContact NZ-CD 3.32Å; K67-E71 IonicContact NZ-OE1 2.68Å; K67-E71 PolarHBondContact NZ-OE1 3.27Å; K67-E71 IonicContact NZ-OE2 3.69Å; K67-E71 PolarHBondContact NZ-OE2 2.89Å; K67-E71 WeakPolarHBondContact O-CG 3.44Å; K67-E71 PolarHBondContact O-N 2.95Å
68R94.7Very high94.2Very high163 Ų16383.9 Ų83.962%0.61537%0.372SS*.Hα-helixtrans-59-38179.5-178.2176.1170.292.1-3.6112.4L64 K65 K66 E71 Q72L64-R68 PolarHBondContact O-N 3.34Å; K65-R68 PolarHBondContact O-N 3.38Å; K66-R68 PolarHBondContact O-N 3.08Å; R68-E71 PolarHBondContact O-N 3.03Å; R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.45Å; R68-Q72 VanDerWaalsContact O-N 3.1Å
69Y94.4Very high94.4Very high129 Ų12982.9 Ų82.951%0.50637%0.372SS..Hα-helixtrans-65.5-40.1174.6176.9-106.3000112.2K65 K66 K67 E71 Q72 L73K65-Y69 PolarHBondContact O-N 3.17Å; K65-Y69 VanDerWaalsContact O-N 3.15Å; K66-Y69 WeakPolarHBondContact O-CB 3.31Å; K66-Y69 PolarHBondContact O-N 3.32Å; K67-Y69 VanDerWaalsContact C-N 3.27Å; K67-Y69 PolarHBondContact O-N 2.68Å; Y69-E71 VanDerWaalsContact C-N 3.35Å; Y69-Q72 PolarHBondContact O-N 3.38Å; Y69-L73 HydrophobicContact CD1-CD1 4.03Å; Y69-L73 HydrophobicContact CE1-CD1 3.52Å; Y69-L73 HydrophobicContact CE1-CG 4.15Å; Y69-L73 WeakPolarHBondContact O-CG 3.4Å; Y69-L73 PolarHBondContact O-N 3.06Å
70Q94.1Very high94.6Very high14 Ų1480.7 Ų80.77%0.06537%0.368CS..Hα-helixtrans-65.6-36.1174.4-70.7171.1-16.400112.7I37 L41 E44 K66 K67 L73 L74I37-Q70 HydrophobicContact CG2-CB 4.09Å; L41-Q70 HydrophobicContact CD1-CB 4.46Å; E44-Q70 PolarHBondContact OE1-NE2 3.39Å; E44-Q70 PolarHBondContact OE2-OE1 3.38Å; E44-Q70 VanDerWaalsContact OE2-OE1 3.08Å; K66-Q70 PolarHBondContact O-N 2.85Å; K67-Q70 WeakPolarHBondContact O-CB 3.45Å; K67-Q70 PolarHBondContact O-N 3.19Å; Q70-L73 WeakPolarHBondContact O-CB 3.41Å; Q70-L73 PolarHBondContact O-N 2.93Å; Q70-L74 PolarHBondContact O-N 3.03Å
71E94.9Very high94.8Very high64 Ų6481.1 Ų81.130%0.29937%0.37SS..Hα-helixtrans-60.6-46.9172.7-68.7173.5153.900110.6L41 K67 R68 Y69 L73 L74 D75L41-E71 HydrophobicContact CD1-CG 3.39Å; K67-E71 WeakPolarHBondContact CE-OE1 3.48Å; K67-E71 VanDerWaalsContact NZ-CD 3.32Å; K67-E71 IonicContact NZ-OE1 2.68Å; K67-E71 PolarHBondContact NZ-OE1 3.27Å; K67-E71 IonicContact NZ-OE2 3.69Å; K67-E71 PolarHBondContact NZ-OE2 2.89Å; K67-E71 WeakPolarHBondContact O-CG 3.44Å; K67-E71 PolarHBondContact O-N 2.95Å; R68-E71 PolarHBondContact O-N 3.03Å; Y69-E71 VanDerWaalsContact C-N 3.35Å; E71-L73 VanDerWaalsContact C-N 3.26Å; E71-L73 PolarHBondContact O-N 3.45Å; E71-L74 WeakPolarHBondContact O-CA 3.43Å; E71-L74 WeakPolarHBondContact O-CB 3.45Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-D75 VanDerWaalsContact O-CG 3.29Å; E71-D75 PolarHBondContact O-N 3.47Å
72Q95.4Very high95Very high78 Ų7878.5 Ų78.536%0.36437%0.366SS..Hα-helixtrans-60.6-34.9175.1-69.1175.5-17.500113R68 Y69 R76R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.45Å; R68-Q72 VanDerWaalsContact O-N 3.1Å; Y69-Q72 PolarHBondContact O-N 3.38Å; Q72-R76 VanDerWaalsContact O-CG 3.26Å; Q72-R76 WeakPolarHBondContact O-CG 3.38Å; Q72-R76 PolarHBondContact O-N 3.01Å; Q72-R76 VanDerWaalsContact O-N 3.11Å
73L93.2Very high95.2Very high38 Ų3875.9 Ų75.920%0.19936%0.358CS..Hα-helixtrans-69.1-36.8173.9-71176.6000112.1Y69 Q70 E71 T77Y69-L73 HydrophobicContact CD1-CD1 4.03Å; Y69-L73 HydrophobicContact CE1-CD1 3.52Å; Y69-L73 HydrophobicContact CE1-CG 4.15Å; Y69-L73 WeakPolarHBondContact O-CG 3.4Å; Y69-L73 PolarHBondContact O-N 3.06Å; Q70-L73 WeakPolarHBondContact O-CB 3.41Å; Q70-L73 PolarHBondContact O-N 2.93Å; E71-L73 VanDerWaalsContact C-N 3.26Å; E71-L73 PolarHBondContact O-N 3.45Å; L73-T77 WeakPolarHBondContact O-CB 3.48Å; L73-T77 PolarHBondContact O-N 3.31Å; L73-T77 PolarHBondContact O-OG1 3.31Å
74L95.9Very high95.3Very high26 Ų2675.4 Ų75.414%0.13636%0.355CS..Hα-helixtrans-62.8-48.3173.5-79.3171.8000110.9Q34 I37 L41 Q70 E71 R76 T77 E78Q34-L74 HydrophobicContact CB-CD2 4.28Å; Q34-L74 HydrophobicContact CG-CD2 3.61Å; I37-L74 HydrophobicContact CB-CD2 3.77Å; I37-L74 HydrophobicContact CB-CG 4.12Å; I37-L74 HydrophobicContact CD1-CD2 4.21Å; I37-L74 HydrophobicContact CG2-CD1 3.86Å; I37-L74 HydrophobicContact CG2-CD2 3.9Å; I37-L74 HydrophobicContact CG2-CG 3.64Å; L41-L74 HydrophobicContact CD1-CD1 4.25Å; Q70-L74 PolarHBondContact O-N 3.03Å; E71-L74 WeakPolarHBondContact O-CA 3.43Å; E71-L74 WeakPolarHBondContact O-CB 3.45Å; E71-L74 PolarHBondContact O-N 3.45Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 2.85Å; L74-T77 CarbonylContact O-C 3.58Å; L74-T77 WeakPolarHBondContact O-CA 3.38Å; L74-T77 WeakPolarHBondContact O-CB 3.45Å; L74-T77 PolarHBondContact O-N 2.94Å; L74-E78 PolarHBondContact O-N 3.48Å
75D96Very high95.5Very high90 Ų9074 Ų7448%0.48135%0.347SS..Hα-helixtrans-59.4-43178.9-59.5-23.1000111.2E71 T77 E78 N79E71-D75 VanDerWaalsContact O-CG 3.29Å; E71-D75 PolarHBondContact O-N 3.47Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-T77 PolarHBondContact O-N 3.29Å; D75-E78 PolarHBondContact O-N 3.41Å; D75-N79 VanDerWaalsContact O-CG 3.29Å; D75-N79 PolarHBondContact O-N 3.01Å; D75-N79 PolarHBondContact O-ND2 3.34Å
76R95.3Very high95.7Very high151 Ų15170 Ų7057%0.5734%0.338SS*.Hα-helixtrans-62.5-41.3174.3-73173.5-175.3-1751.8112.2Q72 L74 E78 N79 Q80Q72-R76 VanDerWaalsContact O-CG 3.26Å; Q72-R76 WeakPolarHBondContact O-CG 3.38Å; Q72-R76 PolarHBondContact O-N 3.01Å; Q72-R76 VanDerWaalsContact O-N 3.11Å; L74-R76 VanDerWaalsContact C-N 3.31Å; L74-R76 PolarHBondContact O-N 2.85Å; R76-E78 VanDerWaalsContact C-N 3.33Å; R76-N79 PolarHBondContact O-N 2.93Å; R76-Q80 VanDerWaalsContact O-CG 3.31Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 2.89Å
77T95.6Very high95.8Very high6 Ų669.1 Ų69.14%0.03734%0.337CS..Hα-helixtrans-65.4-39.9178.3-58.10000110.7L30 Y33 Q34 L73 L74 D75 Q80 I81L30-T77 HydrophobicContact CB-CG2 4.09Å; L30-T77 HydrophobicContact CD2-CG2 4.27Å; Y33-T77 HydrophobicContact CD1-CG2 4.17Å; Q34-T77 HydrophobicContact CB-CG2 4.35Å; L73-T77 WeakPolarHBondContact O-CB 3.48Å; L73-T77 PolarHBondContact O-N 3.31Å; L73-T77 PolarHBondContact O-OG1 3.31Å; L74-T77 CarbonylContact O-C 3.58Å; L74-T77 WeakPolarHBondContact O-CA 3.38Å; L74-T77 WeakPolarHBondContact O-CB 3.45Å; L74-T77 PolarHBondContact O-N 2.94Å; D75-T77 VanDerWaalsContact C-N 3.34Å; D75-T77 PolarHBondContact O-N 3.29Å; T77-Q80 WeakPolarHBondContact O-CB 3.41Å; T77-Q80 PolarHBondContact O-N 3.32Å; T77-I81 HydrophobicContact CG2-CD1 4.11Å; T77-I81 VanDerWaalsContact O-CG1 3.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.46Å; T77-I81 PolarHBondContact O-N 3.03Å
78E96.5Very high95.9Very high103 Ų10367.8 Ų67.848%0.48133%0.332SS..Hα-helixtrans-62.9-47.2175.8-174.8166.9-165.100111.3L74 D75 R76 Q80 I81 S82L74-E78 PolarHBondContact O-N 3.48Å; D75-E78 PolarHBondContact O-N 3.41Å; R76-E78 VanDerWaalsContact C-N 3.33Å; E78-Q80 VanDerWaalsContact C-N 3.27Å; E78-Q80 PolarHBondContact O-N 2.84Å; E78-I81 WeakPolarHBondContact O-CB 3.34Å; E78-I81 PolarHBondContact O-N 3.28Å; E78-S82 PolarHBondContact O-N 3.38Å; E78-S82 PolarHBondContact O-OG 2.9Å
79N97.4Very high95.9Very high112 Ų11266.1 Ų66.160%0.59933%0.331SS*.Hα-helixtrans-57.7-39.6173.6-68.9-30.5000112.4D75 R76 S82 S83D75-N79 VanDerWaalsContact O-CG 3.29Å; D75-N79 PolarHBondContact O-N 3.01Å; D75-N79 PolarHBondContact O-ND2 3.34Å; R76-N79 PolarHBondContact O-N 2.93Å; N79-S82 PolarHBondContact O-N 3.34Å; N79-S83 WeakPolarHBondContact O-CB 3.46Å; N79-S83 PolarHBondContact O-N 3.23Å
80Q96.7Very high96Very high104 Ų10463.3 Ų63.349%0.48633%0.33SS..Hα-helixtrans-66.4-39.1174.9-73.7175.3-23.400112.4L30 R76 T77 E78 S83 L84L30-Q80 HydrophobicContact CD1-CB 3.8Å; R76-Q80 VanDerWaalsContact O-CG 3.31Å; R76-Q80 WeakPolarHBondContact O-CG 3.38Å; R76-Q80 PolarHBondContact O-N 2.89Å; T77-Q80 WeakPolarHBondContact O-CB 3.41Å; T77-Q80 PolarHBondContact O-N 3.32Å; E78-Q80 VanDerWaalsContact C-N 3.27Å; E78-Q80 PolarHBondContact O-N 2.84Å; Q80-S83 PolarHBondContact O-N 2.98Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.43Å
81I97.4Very high96Very high10 Ų1064.8 Ų64.85%0.05134%0.338CS..Hα-helixtrans-62-48.6174.9-71.7164.3000110R27 L30 R31 T77 E78 S83 L84 E85R27-I81 HydrophobicContact CG-CG2 4.05Å; L30-I81 HydrophobicContact CB-CD1 4.03Å; L30-I81 HydrophobicContact CB-CG1 3.67Å; L30-I81 HydrophobicContact CD1-CG1 4.13Å; R31-I81 HydrophobicContact CG-CD1 3.88Å; R31-I81 HydrophobicContact CG-CG1 4.49Å; T77-I81 HydrophobicContact CG2-CD1 4.11Å; T77-I81 VanDerWaalsContact O-CG1 3.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.46Å; T77-I81 PolarHBondContact O-N 3.03Å; E78-I81 WeakPolarHBondContact O-CB 3.34Å; E78-I81 PolarHBondContact O-N 3.28Å; I81-S83 VanDerWaalsContact C-N 3.31Å; I81-S83 PolarHBondContact O-N 3.35Å; I81-L84 PolarHBondContact O-N 3.41Å; I81-E85 WeakPolarHBondContact O-CG 3.37Å; I81-E85 PolarHBondContact O-N 2.97Å
82S97.8Very high95.9Very high62 Ų6265.7 Ų65.743%0.43434%0.342SS..Hα-helixtrans-61.1-39.6176.9-57.80000112E78 N79 E85 A86E78-S82 PolarHBondContact O-N 3.38Å; E78-S82 PolarHBondContact O-OG 2.9Å; N79-S82 PolarHBondContact O-N 3.34Å; S82-E85 PolarHBondContact O-N 2.92Å; S82-A86 WeakPolarHBondContact O-CB 3.15Å; S82-A86 PolarHBondContact O-N 3.45Å
83S97Very high95.8Very high62 Ų6267.7 Ų67.743%0.43435%0.35SS..Hα-helixtrans-63.2-41.8174.9179.50000112.5N79 Q80 I81 A86 M87N79-S83 WeakPolarHBondContact O-CB 3.46Å; N79-S83 PolarHBondContact O-N 3.23Å; Q80-S83 PolarHBondContact O-N 2.98Å; I81-S83 VanDerWaalsContact C-N 3.31Å; I81-S83 PolarHBondContact O-N 3.35Å; S83-A86 PolarHBondContact O-N 3.43Å; S83-M87 WeakPolarHBondContact O-CG 3.39Å; S83-M87 PolarHBondContact O-N 3.08Å
84L96.9Very high95.8Very high17 Ų1769 Ų699%0.08936%0.359CS..Hα-helixtrans-63.8-41.1174.8-72.5168.2000111.9L23 Q26 R27 L30 Q80 I81 M87 V88L23-L84 HydrophobicContact CD2-CD2 3.64Å; Q26-L84 HydrophobicContact CB-CD1 4.28Å; Q26-L84 HydrophobicContact CG-CD1 3.93Å; Q26-L84 HydrophobicContact CG-CD2 4.35Å; R27-L84 HydrophobicContact CB-CB 4.33Å; R27-L84 HydrophobicContact CB-CD1 4.04Å; L30-L84 HydrophobicContact CD1-CD1 3.57Å; Q80-L84 WeakPolarHBondContact O-CG 3.31Å; Q80-L84 PolarHBondContact O-N 3.43Å; I81-L84 PolarHBondContact O-N 3.41Å; L84-M87 HydrophobicContact CD2-CE 3.78Å; L84-M87 HydrophobicContact CG-CE 4.34Å; L84-M87 PolarHBondContact O-N 3.21Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 2.9Å
85E95.9Very high95.6Very high54 Ų5469.7 Ų69.725%0.25236%0.362SS..Hα-helixtrans-64.8-41.8176.7-71.9174.2177.500111.8R27 R31 I81 S82 V88 Q89R27-E85 WeakPolarHBondContact CD-OE1 3.42Å; R27-E85 HydrophobicContact CG-CG 4.41Å; R31-E85 IonicContact CZ-OE1 3.95Å; R31-E85 IonicContact NE-OE1 3.73Å; R31-E85 IonicContact NH2-OE1 3.66Å; R31-E85 PolarHBondContact NH2-OE1 3.21Å; I81-E85 WeakPolarHBondContact O-CG 3.37Å; I81-E85 PolarHBondContact O-N 2.97Å; S82-E85 PolarHBondContact O-N 2.92Å; E85-V88 PolarHBondContact O-N 3.38Å; E85-Q89 WeakPolarHBondContact O-CG 3.32Å; E85-Q89 PolarHBondContact O-N 2.86Å; E85-Q89 VanDerWaalsContact O-N 3.08Å
86A97.3Very high95.4Very high48 Ų4870 Ų7040%0.39736%0.363SS..Hα-helixtrans-61-45.4173.600000111.6S82 S83 V88 Q89 S90S82-A86 WeakPolarHBondContact O-CB 3.15Å; S82-A86 PolarHBondContact O-N 3.45Å; S83-A86 PolarHBondContact O-N 3.43Å; A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 PolarHBondContact O-N 3.4Å; A86-Q89 PolarHBondContact O-N 3.39Å; A86-S90 PolarHBondContact O-N 2.88Å; A86-S90 PolarHBondContact O-OG 3.46Å; A86-S90 VanDerWaalsContact O-OG 3.06Å
87M95.5Very high95.3Very high82 Ų8266.9 Ų66.940%0.40436%0.355SS..Hα-helixtrans-61.8-37.9176.8-76.2-173.9-73.500112.8L23 S83 L84 S90 I91L23-M87 HydrophobicContact CD1-CB 4.18Å; L23-M87 HydrophobicContact CD2-CE 4.36Å; S83-M87 WeakPolarHBondContact O-CG 3.39Å; S83-M87 PolarHBondContact O-N 3.08Å; L84-M87 HydrophobicContact CD2-CE 3.78Å; L84-M87 HydrophobicContact CG-CE 4.34Å; L84-M87 PolarHBondContact O-N 3.21Å; M87-S90 PolarHBondContact O-N 3.37Å; M87-I91 VanDerWaalsContact O-CG1 3.31Å; M87-I91 WeakPolarHBondContact O-CG1 3.36Å; M87-I91 PolarHBondContact O-N 3.39Å
88V95.8Very high95.2Very high11 Ų1170.1 Ų70.17%0.06737%0.37CS..Hα-helixtrans-61.8-47.1174.3169.20000110.7I20 L23 K24 L84 E85 A86 S90 I91 E92I20-V88 HydrophobicContact CG2-CG1 4.22Å; L23-V88 HydrophobicContact CB-CG2 3.64Å; L23-V88 HydrophobicContact CD1-CG2 3.94Å; L23-V88 HydrophobicContact CG-CG2 4.46Å; K24-V88 HydrophobicContact CG-CG2 4.42Å; L84-V88 WeakPolarHBondContact O-CG2 3.39Å; L84-V88 PolarHBondContact O-N 2.9Å; E85-V88 PolarHBondContact O-N 3.38Å; A86-V88 VanDerWaalsContact C-N 3.32Å; A86-V88 PolarHBondContact O-N 3.4Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-S90 PolarHBondContact O-N 3.02Å; V88-I91 PolarHBondContact O-N 3.46Å; V88-E92 WeakPolarHBondContact O-CG 3.31Å; V88-E92 PolarHBondContact O-N 3.41Å
89Q95.5Very high95.1Very high127 Ų12771.8 Ų71.859%0.59338%0.376SS*.Hα-helixtrans-62.8-40.9177.5-68.8173.632.400111.8E85 A86 I91 E92 F93E85-Q89 WeakPolarHBondContact O-CG 3.32Å; E85-Q89 PolarHBondContact O-N 2.86Å; E85-Q89 VanDerWaalsContact O-N 3.08Å; A86-Q89 PolarHBondContact O-N 3.39Å; Q89-I91 PolarHBondContact O-N 2.95Å; Q89-E92 PolarHBondContact O-N 3.24Å; Q89-F93 WeakPolarHBondContact O-CB 3.37Å; Q89-F93 PolarHBondContact O-N 3.07Å
90S95.9Very high94.9Very high70 Ų7070.1 Ų70.149%0.4937%0.37SS..Hα-helixtrans-60.1-44.1175.8-60.90000111.6A86 M87 V88 F93 T94A86-S90 PolarHBondContact O-N 2.88Å; A86-S90 PolarHBondContact O-OG 3.46Å; A86-S90 VanDerWaalsContact O-OG 3.06Å; M87-S90 PolarHBondContact O-N 3.37Å; V88-S90 VanDerWaalsContact C-N 3.34Å; V88-S90 PolarHBondContact O-N 3.02Å; S90-F93 PolarHBondContact O-N 3.33Å; S90-T94 WeakPolarHBondContact O-CB 3.31Å; S90-T94 PolarHBondContact O-N 3.21Å; S90-T94 PolarHBondContact O-OG1 2.68Å
91I94Very high94.8Very high45 Ų4570.1 Ų70.123%0.23137%0.371CS..Hα-helixtrans-64.8-42.1177.2-66.3166.1000111.1Q16 A19 I20 L23 M87 V88 Q89 F93 T94 Q95Q16-I91 HydrophobicContact CB-CG2 4.35Å; A19-I91 HydrophobicContact CB-CD1 4.41Å; I20-I91 HydrophobicContact CD1-CG2 3.95Å; I20-I91 HydrophobicContact CG1-CB 4.33Å; I20-I91 HydrophobicContact CG1-CG2 3.82Å; L23-I91 HydrophobicContact CD1-CD1 3.45Å; L23-I91 VanDerWaalsContact CD1-CD1 3.45Å; M87-I91 VanDerWaalsContact O-CG1 3.31Å; M87-I91 WeakPolarHBondContact O-CG1 3.36Å; M87-I91 PolarHBondContact O-N 3.39Å; V88-I91 PolarHBondContact O-N 3.46Å; Q89-I91 PolarHBondContact O-N 2.95Å; I91-F93 VanDerWaalsContact C-N 3.32Å; I91-T94 PolarHBondContact O-N 3.48Å; I91-Q95 WeakPolarHBondContact O-CG 3.37Å; I91-Q95 PolarHBondContact O-N 2.85Å; I91-Q95 VanDerWaalsContact O-N 3.08Å
92E92.2Very high94.7Very high84 Ų8475.4 Ų75.439%0.39340%0.395SS..Hα-helixtrans-63-40176.8-71.8172.8176.500111.2I20 K24 V88 Q89 Q95 I96I20-E92 HydrophobicContact CD1-CG 3.86Å; K24-E92 IonicContact NZ-OE1 2.68Å; V88-E92 WeakPolarHBondContact O-CG 3.31Å; V88-E92 PolarHBondContact O-N 3.41Å; Q89-E92 PolarHBondContact O-N 3.24Å; E92-Q95 WeakPolarHBondContact O-CB 3.36Å; E92-Q95 PolarHBondContact O-N 3.44Å; E92-I96 PolarHBondContact O-N 3.19Å
93F94.3Very high94.5Very high119 Ų11974.6 Ų74.652%0.52240%0.396SS..Hα-helixtrans-67.6-44.8175.5-173.8-107.1000112.3Q89 S90 I91 Q95 I96 E97Q89-F93 WeakPolarHBondContact O-CB 3.37Å; Q89-F93 PolarHBondContact O-N 3.07Å; S90-F93 PolarHBondContact O-N 3.33Å; I91-F93 VanDerWaalsContact C-N 3.32Å; F93-Q95 PolarHBondContact O-N 3.1Å; F93-I96 CarbonylContact O-C 3.59Å; F93-I96 WeakPolarHBondContact O-CA 3.47Å; F93-I96 VanDerWaalsContact O-CB 3.31Å; F93-I96 WeakPolarHBondContact O-CB 3.31Å; F93-I96 PolarHBondContact O-N 3.38Å; F93-E97 HydrophobicContact CD1-CG 3.87Å; F93-E97 HydrophobicContact CE1-CG 3.61Å; F93-E97 WeakPolarHBondContact CE1-OE1 3.49Å; F93-E97 HydrophobicContact CZ-CG 4.09Å; F93-E97 PolarHBondContact O-N 2.88Å
94T93.4Very high94.4Very high65 Ų6576.8 Ų76.840%0.39940%0.403SS..Hα-helixtrans-60.4-30.4175.9-61.30000112.2S90 I91 I96 E97 M98S90-T94 WeakPolarHBondContact O-CB 3.31Å; S90-T94 PolarHBondContact O-N 3.21Å; S90-T94 PolarHBondContact O-OG1 2.68Å; I91-T94 PolarHBondContact O-N 3.48Å; T94-I96 VanDerWaalsContact C-N 3.31Å; T94-I96 PolarHBondContact O-N 3.22Å; T94-E97 WeakPolarHBondContact CA-OE2 3.36Å; T94-E97 PolarHBondContact O-N 2.94Å; T94-E97 PolarHBondContact OG1-OE2 3.25Å; T94-M98 WeakPolarHBondContact O-CB 3.41Å; T94-M98 VanDerWaalsContact O-CG 3.31Å; T94-M98 WeakPolarHBondContact O-CG 3.47Å; T94-M98 PolarHBondContact O-N 2.86Å
95Q91.3Very high94.3Very high42 Ų4281.9 Ų81.920%0.19643%0.426CS..Hα-helixtrans-65.2-34.4170.5-71.3177.943.700113.2Q16 I91 E92 F93 M98 K99Q16-Q95 HydrophobicContact CB-CG 4.37Å; Q16-Q95 HydrophobicContact CG-CG 4.29Å; I91-Q95 WeakPolarHBondContact O-CG 3.37Å; I91-Q95 PolarHBondContact O-N 2.85Å; I91-Q95 VanDerWaalsContact O-N 3.08Å; E92-Q95 WeakPolarHBondContact O-CB 3.36Å; E92-Q95 PolarHBondContact O-N 3.44Å; F93-Q95 PolarHBondContact O-N 3.1Å; Q95-M98 HydrophobicContact CB-CE 4.36Å; Q95-M98 HydrophobicContact CG-CE 4.02Å; Q95-K99 WeakPolarHBondContact O-CG 3.35Å; Q95-K99 PolarHBondContact O-N 3.43Å
96I92.9Very high94.2Very high97 Ų9785.5 Ų85.550%0.49744%0.441SS..Hα-helixtrans-70.5-45.6173.9-59.9169.2000109.4E92 F93 T94 M98 K99 V100E92-I96 PolarHBondContact O-N 3.19Å; F93-I96 CarbonylContact O-C 3.59Å; F93-I96 WeakPolarHBondContact O-CA 3.47Å; F93-I96 VanDerWaalsContact O-CB 3.31Å; F93-I96 WeakPolarHBondContact O-CB 3.31Å; F93-I96 PolarHBondContact O-N 3.38Å; T94-I96 VanDerWaalsContact C-N 3.31Å; T94-I96 PolarHBondContact O-N 3.22Å; I96-M98 VanDerWaalsContact C-N 3.31Å; I96-M98 PolarHBondContact O-N 3.44Å; I96-K99 WeakPolarHBondContact O-CB 3.41Å; I96-K99 PolarHBondContact O-N 3.21Å; I96-K99 VanDerWaalsContact O-N 3.1Å; I96-V100 HydrophobicContact CG2-CG2 4.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.34Å; I96-V100 PolarHBondContact O-N 3.37Å
97E92.8Very high94Very high85 Ų8584.7 Ų84.740%0.39744%0.438SS..Hα-helixtrans-57.3-43.9176.7-65.5178.7124.500111.7F93 T94 K99 V100 M101F93-E97 HydrophobicContact CD1-CG 3.87Å; F93-E97 HydrophobicContact CE1-CG 3.61Å; F93-E97 WeakPolarHBondContact CE1-OE1 3.49Å; F93-E97 HydrophobicContact CZ-CG 4.09Å; F93-E97 PolarHBondContact O-N 2.88Å; T94-E97 WeakPolarHBondContact CA-OE2 3.36Å; T94-E97 PolarHBondContact O-N 2.94Å; T94-E97 PolarHBondContact OG1-OE2 3.25Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 3.27Å; E97-V100 PolarHBondContact O-N 2.71Å; E97-M101 WeakPolarHBondContact O-CG 3.37Å; E97-M101 PolarHBondContact O-N 2.84Å
98M93.4Very high94Very high74 Ų7485 Ų8537%0.36544%0.441SS..Hα-helixtrans-58.7-44.4174.9-75.2-171.9-58.800111.9T94 Q95 I96 V100 M101 E102T94-M98 WeakPolarHBondContact O-CB 3.41Å; T94-M98 VanDerWaalsContact O-CG 3.31Å; T94-M98 WeakPolarHBondContact O-CG 3.47Å; T94-M98 PolarHBondContact O-N 2.86Å; Q95-M98 HydrophobicContact CB-CE 4.36Å; Q95-M98 HydrophobicContact CG-CE 4.02Å; I96-M98 VanDerWaalsContact C-N 3.31Å; I96-M98 PolarHBondContact O-N 3.44Å; M98-V100 VanDerWaalsContact C-N 3.33Å; M98-V100 PolarHBondContact O-N 2.88Å; M98-M101 PolarHBondContact O-N 3.45Å; M98-E102 WeakPolarHBondContact O-CG 3.42Å; M98-E102 PolarHBondContact O-N 3.37Å
99K93Very high93.9Very high137 Ų13789.4 Ų89.460%0.59646%0.461SS*.Hα-helixtrans-64.2-37176.6-70.9172.1-176.7174.20112.6Q95 I96 E97 G103Q95-K99 WeakPolarHBondContact O-CG 3.35Å; Q95-K99 PolarHBondContact O-N 3.43Å; I96-K99 WeakPolarHBondContact O-CB 3.41Å; I96-K99 PolarHBondContact O-N 3.21Å; I96-K99 VanDerWaalsContact O-N 3.1Å; E97-K99 VanDerWaalsContact C-N 3.35Å; E97-K99 PolarHBondContact O-N 3.27Å; K99-G103 PolarHBondContact O-N 2.92Å
100V94.5Very high93.7Very high78 Ų7885.6 Ų85.647%0.47345%0.448SS..Hα-helixtrans-64.8-44174.5174.50000110I96 E97 M98 G103 L104I96-V100 HydrophobicContact CG2-CG2 4.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.34Å; I96-V100 PolarHBondContact O-N 3.37Å; E97-V100 PolarHBondContact O-N 2.71Å; M98-V100 VanDerWaalsContact C-N 3.33Å; M98-V100 PolarHBondContact O-N 2.88Å; V100-G103 PolarHBondContact O-N 3.49Å; V100-L104 HydrophobicContact CG1-CD1 4.41Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 2.93Å
101M94.2Very high93.4Very high103 Ų10386.6 Ų86.651%0.50745%0.447SS..Hα-helixtrans-62.6-43.5176.1-68.9-60.9111.600112.3E97 M98 G103 L104 Q105E97-M101 WeakPolarHBondContact O-CG 3.37Å; E97-M101 PolarHBondContact O-N 2.84Å; M98-M101 PolarHBondContact O-N 3.45Å; M101-G103 VanDerWaalsContact C-N 3.31Å; M101-G103 PolarHBondContact O-N 3.15Å; M101-L104 HydrophobicContact CE-CD1 3.67Å; M101-L104 PolarHBondContact O-N 3.35Å; M101-L104 HydrophobicContact SD-CD1 4.38Å; M101-Q105 WeakPolarHBondContact O-CB 3.49Å; M101-Q105 WeakPolarHBondContact O-CG 3.36Å; M101-Q105 PolarHBondContact O-N 2.91Å
102E94.7Very high93.1Very high122 Ų12287.9 Ų87.957%0.5745%0.454SS*.Hα-helixtrans-58.9-42.3173.9-73.6170.8-174.400111.4M98 Q105 F106M98-E102 WeakPolarHBondContact O-CG 3.42Å; M98-E102 PolarHBondContact O-N 3.37Å; E102-Q105 PolarHBondContact O-N 2.9Å; E102-F106 WeakPolarHBondContact O-CB 3.46Å; E102-F106 PolarHBondContact O-N 3.13Å
103G94.4Very high92.9Very high44 Ų4489.5 Ų89.545%0.45446%0.46SS..Hα-helixtrans-63.1-40.8175.200000113.2K99 V100 M101 G107K99-G103 PolarHBondContact O-N 2.92Å; V100-G103 PolarHBondContact O-N 3.49Å; M101-G103 VanDerWaalsContact C-N 3.31Å; M101-G103 PolarHBondContact O-N 3.15Å; G103-G107 PolarHBondContact O-N 2.98Å
104L94.6Very high92.3Very high108 Ų10889.1 Ų89.157%0.56546%0.461SS*.Hα-helixtrans-67.8-40.1175.3-71.4176.8000112.1V100 M101 G107 N108V100-L104 HydrophobicContact CG1-CD1 4.41Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 2.93Å; M101-L104 HydrophobicContact CE-CD1 3.67Å; M101-L104 PolarHBondContact O-N 3.35Å; M101-L104 HydrophobicContact SD-CD1 4.38Å; L104-G107 PolarHBondContact O-N 3.5Å; L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.34Å
105Q94.5Very high91.8Very high124 Ų12491.7 Ų91.758%0.57947%0.468SS*.Hα-helixtrans-61.5-48.2174.7-76.2177.1-13.800110.8M101 E102 G107 N108 E109M101-Q105 WeakPolarHBondContact O-CB 3.49Å; M101-Q105 WeakPolarHBondContact O-CG 3.36Å; M101-Q105 PolarHBondContact O-N 2.91Å; E102-Q105 PolarHBondContact O-N 2.9Å; Q105-G107 VanDerWaalsContact C-N 3.33Å; Q105-G107 PolarHBondContact O-N 3.23Å; Q105-N108 PolarHBondContact O-N 3.42Å; Q105-N108 VanDerWaalsContact O-N 3.15Å; Q105-E109 WeakPolarHBondContact O-CG 3.42Å; Q105-E109 PolarHBondContact O-N 2.82Å
106F94.4Very high91.2Very high131 Ų13196.4 Ų96.458%0.57549%0.49SS*.Hα-helixtrans-59.7-43.8175.4-179-100.8000111.8E102 N108 E109 C110E102-F106 WeakPolarHBondContact O-CB 3.46Å; E102-F106 PolarHBondContact O-N 3.13Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.44Å; F106-E109 PolarHBondContact O-N 3.04Å; F106-C110 PolarHBondContact O-N 3.2Å; F106-C110 PolarHBondContact O-SG 3.23Å
107G93.9Very high90.4Very high31 Ų3197.1 Ų97.132%0.3250%0.499SS..Hα-helixtrans-59-43.5173.900000112.6G103 L104 Q105 C110 L111G103-G107 PolarHBondContact O-N 2.98Å; L104-G107 PolarHBondContact O-N 3.5Å; Q105-G107 VanDerWaalsContact C-N 3.33Å; Q105-G107 PolarHBondContact O-N 3.23Å; G107-C110 WeakPolarHBondContact O-CB 3.46Å; G107-C110 PolarHBondContact O-N 2.94Å; G107-L111 WeakPolarHBondContact O-CG 3.47Å; G107-L111 PolarHBondContact O-N 2.81Å
108N94.4Very high89.2Confident89 Ų8998.7 Ų98.748%0.47651%0.508SS..Hα-helixtrans-66.4-41176.7-170-91.4000112.2L104 Q105 F106 C110 L111 N112L104-N108 WeakPolarHBondContact O-CB 3.4Å; L104-N108 PolarHBondContact O-N 3.34Å; Q105-N108 PolarHBondContact O-N 3.42Å; Q105-N108 VanDerWaalsContact O-N 3.15Å; F106-N108 VanDerWaalsContact C-N 3.34Å; F106-N108 PolarHBondContact O-N 3.44Å; N108-C110 VanDerWaalsContact C-N 3.33Å; N108-C110 PolarHBondContact O-N 2.91Å; N108-L111 PolarHBondContact O-N 3.49Å; N108-N112 WeakPolarHBondContact O-CB 3.34Å; N108-N112 PolarHBondContact O-N 2.84Å; N108-N112 PolarHBondContact O-ND2 2.86Å; N108-N112 PolarHBondContact OD1-ND2 3.32Å
109E93.2Very high88.1Confident103 Ų10396.3 Ų96.348%0.48150%0.499SS..Hα-helixtrans-60.8-41.8173.2-74.3-179.9-168.700111.9Q105 F106 N112 K113Q105-E109 WeakPolarHBondContact O-CG 3.42Å; Q105-E109 PolarHBondContact O-N 2.82Å; F106-E109 PolarHBondContact O-N 3.04Å; E109-N112 PolarHBondContact O-N 3.47Å; E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 3.25Å
110C90.9Very high87Confident47 Ų4795.6 Ų95.632%0.31850%0.5SS..Hα-helixtrans-60.8-46.3173.1-76.70000111.5F106 G107 N108 N112 K113 M114F106-C110 PolarHBondContact O-N 3.2Å; F106-C110 PolarHBondContact O-SG 3.23Å; G107-C110 WeakPolarHBondContact O-CB 3.46Å; G107-C110 PolarHBondContact O-N 2.94Å; N108-C110 VanDerWaalsContact C-N 3.33Å; N108-C110 PolarHBondContact O-N 2.91Å; C110-N112 PolarHBondContact O-N 2.9Å; C110-K113 PolarHBondContact O-N 2.8Å; C110-M114 WeakPolarHBondContact O-CG 3.28Å; C110-M114 PolarHBondContact O-N 2.93Å
111L89.6Confident86Confident90 Ų9097.8 Ų97.847%0.47151%0.505SS..Hα-helixtrans-60.8-43.9175.5-71.4172.7000111.8G107 N108 K113 M114 H115G107-L111 WeakPolarHBondContact O-CG 3.47Å; G107-L111 PolarHBondContact O-N 2.81Å; N108-L111 PolarHBondContact O-N 3.49Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 3.38Å; L111-M114 WeakPolarHBondContact O-CB 3.46Å; L111-M114 PolarHBondContact O-N 3.19Å; L111-H115 VanDerWaalsContact O-CG 3.28Å; L111-H115 PolarHBondContact O-N 3.45Å
112N89.2Confident85Confident72 Ų7297.1 Ų97.139%0.38550%0.501SS..Hα-helixtrans-62.7-41.1176.8-69.3-27.2000111.6N108 E109 C110 H115 Q116N108-N112 WeakPolarHBondContact O-CB 3.34Å; N108-N112 PolarHBondContact O-N 2.84Å; N108-N112 PolarHBondContact O-ND2 2.86Å; N108-N112 PolarHBondContact OD1-ND2 3.32Å; E109-N112 PolarHBondContact O-N 3.47Å; C110-N112 PolarHBondContact O-N 2.9Å; N112-H115 PolarHBondContact O-N 3.15Å; N112-Q116 VanDerWaalsContact O-CG 3.28Å; N112-Q116 WeakPolarHBondContact O-CG 3.35Å; N112-Q116 PolarHBondContact O-N 2.95Å
113K87.5Confident84.2Confident119 Ų11995.1 Ų95.152%0.51750%0.497SS..Hα-helixtrans-63.8-41173.7-74.1171.3-176167.20111.6E109 C110 L111 H115 Q116 V117E109-K113 WeakPolarHBondContact O-CG 3.37Å; E109-K113 PolarHBondContact O-N 3.25Å; C110-K113 PolarHBondContact O-N 2.8Å; L111-K113 VanDerWaalsContact C-N 3.35Å; L111-K113 PolarHBondContact O-N 3.38Å; K113-H115 VanDerWaalsContact C-N 3.35Å; K113-Q116 WeakPolarHBondContact O-CB 3.49Å; K113-Q116 PolarHBondContact O-N 3.45Å; K113-V117 WeakPolarHBondContact O-CG2 3.37Å; K113-V117 PolarHBondContact O-N 2.85Å
114M80.9Confident83.5Confident111 Ų11197.9 Ų97.955%0.54750%0.498SS..Hα-helixtrans-62.4-42.7174.3-71.3-179.275.700111.5C110 L111 Q116 V117 M118C110-M114 WeakPolarHBondContact O-CG 3.28Å; C110-M114 PolarHBondContact O-N 2.93Å; L111-M114 WeakPolarHBondContact O-CB 3.46Å; L111-M114 PolarHBondContact O-N 3.19Å; M114-Q116 VanDerWaalsContact C-N 3.31Å; M114-Q116 PolarHBondContact O-N 3.23Å; M114-V117 PolarHBondContact O-N 3.33Å; M114-V117 VanDerWaalsContact O-N 3.15Å; M114-M118 PolarHBondContact O-N 3.22Å
115H82.5Confident83Confident118 Ų11898.9 Ų98.955%0.54649%0.494SS..Hα-helixtrans-65.1-32.8174.1-65.8167.9000112.8L111 N112 K113 V117 M118L111-H115 VanDerWaalsContact O-CG 3.28Å; L111-H115 PolarHBondContact O-N 3.45Å; N112-H115 PolarHBondContact O-N 3.15Å; K113-H115 VanDerWaalsContact C-N 3.35Å; H115-V117 VanDerWaalsContact C-N 3.33Å; H115-M118 CarbonylContact O-C 3.52Å
116Q80Confident82.5Confident141 Ų14197.9 Ų97.966%0.65949%0.492SS*.Hα-helixtrans-69.2-31.5172.3-74.9171.20.600112.4N112 K113 M114 S119N112-Q116 VanDerWaalsContact O-CG 3.28Å; N112-Q116 WeakPolarHBondContact O-CG 3.35Å; N112-Q116 PolarHBondContact O-N 2.95Å; K113-Q116 WeakPolarHBondContact O-CB 3.49Å; K113-Q116 PolarHBondContact O-N 3.45Å; M114-Q116 VanDerWaalsContact C-N 3.31Å; M114-Q116 PolarHBondContact O-N 3.23Å; Q116-S119 VanDerWaalsContact O-CB 3.26Å; Q116-S119 WeakPolarHBondContact O-CB 3.22Å
117V75.5Confident82.1Confident113 Ų11395.9 Ų95.969%0.68549%0.487SS*.Hα-helixtrans-75-40174.6173.70000110.7K113 M114 H115 S119K113-V117 WeakPolarHBondContact O-CG2 3.37Å; K113-V117 PolarHBondContact O-N 2.85Å; M114-V117 PolarHBondContact O-N 3.33Å; M114-V117 VanDerWaalsContact O-N 3.15Å; H115-V117 VanDerWaalsContact C-N 3.33Å; V117-S119 PolarHBondContact O-N 2.9Å
118M68.6Low81.9Confident117 Ų11798.5 Ų98.558%0.57649%0.493SS*.THydrogen-bonded Turntrans-76.538.7168.4-62.6179.917400111.6M114 H115M114-M118 PolarHBondContact O-N 3.22Å; H115-M118 CarbonylContact O-C 3.52Å
119S69.1Low81.7Confident25 Ų2599.7 Ų99.718%0.17550%0.496CS..  trans-51157.9-162.560.70000113.2Q116 V117 E121 E122 V123Q116-S119 VanDerWaalsContact O-CB 3.26Å; Q116-S119 WeakPolarHBondContact O-CB 3.22Å; V117-S119 PolarHBondContact O-N 2.9Å; S119-E121 PolarHBondContact O-N 3.41Å; S119-E121 WeakPolarHBondContact OG-CB 3.32Å; S119-E121 PolarHBondContact OG-N 2.9Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-V123 PolarHBondContact O-N 3.28Å
120I70Confident81.6Confident121 Ų12198.3 Ų98.362%0.62149%0.494SS*.Hα-helixtrans-45.9-30.7167.8-67.2165000111.1E122 V123 E124I120-E122 PolarHBondContact O-N 3.08Å; I120-V123 CarbonylContact O-C 3.59Å; I120-V123 PolarHBondContact O-N 2.68Å; I120-E124 HydrophobicContact CG2-CG 3.8Å; I120-E124 VanDerWaalsContact CG2-OE1 3.32Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.28Å; I120-E124 VanDerWaalsContact O-CB 3.28Å; I120-E124 WeakPolarHBondContact O-CB 3.32Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.82Å
121E73.3Confident81.5Confident125 Ų125101.2 Ų101.258%0.58450%0.504SS*.Hα-helixtrans-62.9-36.8175.7-54.9171.4168.100113.1S119 R125S119-E121 PolarHBondContact O-N 3.41Å; S119-E121 WeakPolarHBondContact OG-CB 3.32Å; S119-E121 PolarHBondContact OG-N 2.9Å; E121-R125 VanDerWaalsContact O-CB 3.26Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.36Å
122E73.1Confident81.6Confident89 Ų89103.3 Ų103.342%0.41651%0.511SS..Hα-helixtrans-68.9-40173-69.1-174.4164.600110.5S119 I120 R125 I126S119-E122 PolarHBondContact O-N 2.88Å; I120-E122 PolarHBondContact O-N 3.08Å; E122-R125 PolarHBondContact O-N 2.96Å; E122-I126 WeakPolarHBondContact O-CB 3.28Å; E122-I126 WeakPolarHBondContact O-CD1 3.4Å; E122-I126 WeakPolarHBondContact O-CG1 3.18Å; E122-I126 PolarHBondContact O-N 3.49Å
123V77.6Confident81.5Confident80 Ų80102.6 Ų102.649%0.48552%0.515SS..Hα-helixtrans-65.5-44.1175.9-179.60000111.1S119 I120 I126 L127S119-V123 PolarHBondContact O-N 3.28Å; I120-V123 CarbonylContact O-C 3.59Å; I120-V123 PolarHBondContact O-N 2.68Å; V123-I126 PolarHBondContact O-N 3.45Å; V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 WeakPolarHBondContact O-CG 3.4Å; V123-L127 PolarHBondContact O-N 3.17Å
124E81.2Confident81.7Confident102 Ų102100.5 Ų100.548%0.47751%0.512SS..Hα-helixtrans-63.7-45.6174.6-77.5175.417400110.2I120 I126 L127 D128I120-E124 HydrophobicContact CG2-CG 3.8Å; I120-E124 VanDerWaalsContact CG2-OE1 3.32Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.28Å; I120-E124 VanDerWaalsContact O-CB 3.28Å; I120-E124 WeakPolarHBondContact O-CB 3.32Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.82Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.18Å; E124-L127 CarbonylContact O-C 3.39Å; E124-L127 WeakPolarHBondContact O-CA 3.16Å; E124-L127 PolarHBondContact O-N 3Å; E124-L127 VanDerWaalsContact O-N 3.08Å; E124-D128 WeakPolarHBondContact O-CB 3.46Å; E124-D128 VanDerWaalsContact O-CG 3.24Å; E124-D128 PolarHBondContact O-N 2.92Å
125R83.7Confident82.3Confident129 Ų129100.2 Ų100.249%0.48751%0.509SS..Hα-helixtrans-58.3-45.7174.5-133.7179.4-57.7164.56.8111.8E121 E122 L127 D128 E129E121-R125 VanDerWaalsContact O-CB 3.26Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.36Å; E122-R125 PolarHBondContact O-N 2.96Å; R125-L127 VanDerWaalsContact C-N 3.29Å; R125-L127 PolarHBondContact O-N 2.93Å; R125-D128 PolarHBondContact O-N 3.01Å; R125-E129 VanDerWaalsContact O-CB 3.24Å; R125-E129 WeakPolarHBondContact O-CB 3.27Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 2.74Å
126I83.4Confident82.6Confident102 Ų102101.7 Ų101.752%0.52351%0.511SS..Hα-helixtrans-63.6-38.8177.2-69.2164.5000110.1E122 V123 E124 T130E122-I126 WeakPolarHBondContact O-CB 3.28Å; E122-I126 WeakPolarHBondContact O-CD1 3.4Å; E122-I126 WeakPolarHBondContact O-CG1 3.18Å; E122-I126 PolarHBondContact O-N 3.49Å; V123-I126 PolarHBondContact O-N 3.45Å; E124-I126 VanDerWaalsContact C-N 3.34Å; E124-I126 PolarHBondContact O-N 3.18Å; I126-T130 WeakPolarHBondContact O-CB 3.3Å; I126-T130 WeakPolarHBondContact O-CG2 3.5Å; I126-T130 PolarHBondContact O-N 2.82Å; I126-T130 PolarHBondContact O-OG1 3.02Å
127L85.7Confident83Confident90 Ų9099.8 Ų99.847%0.47150%0.502SS..Hα-helixtrans-70.5-32.8176.7-73.8171.8000113.3V123 E124 R125 T130 Q131V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 WeakPolarHBondContact O-CG 3.4Å; V123-L127 PolarHBondContact O-N 3.17Å; E124-L127 CarbonylContact O-C 3.39Å; E124-L127 WeakPolarHBondContact O-CA 3.16Å; E124-L127 PolarHBondContact O-N 3Å; E124-L127 VanDerWaalsContact O-N 3.08Å; R125-L127 VanDerWaalsContact C-N 3.29Å; R125-L127 PolarHBondContact O-N 2.93Å; L127-T130 VanDerWaalsContact CA-OG1 3.28Å; L127-T130 WeakPolarHBondContact CA-OG1 3.44Å; L127-T130 PolarHBondContact O-OG1 2.9Å; L127-Q131 VanDerWaalsContact O-CG 3.3Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.45Å; L127-Q131 VanDerWaalsContact O-N 3.12Å; L127-Q131 PolarHBondContact O-NE2 2.9Å; L127-Q131 VanDerWaalsContact O-NE2 3.08Å
128D90.5Very high83.7Confident86 Ų86102.2 Ų102.246%0.4650%0.499SS..Hα-helixtrans-77.1-47.4177.4-70.5-15.7000110.1E124 R125 T130 Q131 E132E124-D128 WeakPolarHBondContact O-CB 3.46Å; E124-D128 VanDerWaalsContact O-CG 3.24Å; E124-D128 PolarHBondContact O-N 2.92Å; R125-D128 PolarHBondContact O-N 3.01Å; D128-T130 PolarHBondContact O-N 2.98Å; D128-Q131 CarbonylContact O-C 3.5Å; D128-Q131 WeakPolarHBondContact O-CB 3.38Å; D128-Q131 PolarHBondContact O-N 2.97Å; D128-E132 WeakPolarHBondContact O-CG 3.47Å; D128-E132 PolarHBondContact O-N 3.48Å
129E90.2Very high84.6Confident114 Ų114101.8 Ų101.853%0.53350%0.496SS..Hα-helixtrans-57.4-38.6173.9-74.7173.5-166.400111.4R125 A133R125-E129 VanDerWaalsContact O-CB 3.24Å; R125-E129 WeakPolarHBondContact O-CB 3.27Å; R125-E129 WeakPolarHBondContact O-CG 3.34Å; R125-E129 PolarHBondContact O-N 2.74Å; E129-A133 WeakPolarHBondContact O-CB 3.22Å; E129-A133 PolarHBondContact O-N 3.05Å
130T90.9Very high85.4Confident73 Ų73102.9 Ų102.945%0.44850%0.499SS..Hα-helixtrans-71-33.917549.50000112.9I126 L127 D128 V134I126-T130 WeakPolarHBondContact O-CB 3.3Å; I126-T130 WeakPolarHBondContact O-CG2 3.5Å; I126-T130 PolarHBondContact O-N 2.82Å; I126-T130 PolarHBondContact O-OG1 3.02Å; L127-T130 VanDerWaalsContact CA-OG1 3.28Å; L127-T130 WeakPolarHBondContact CA-OG1 3.44Å; L127-T130 PolarHBondContact O-OG1 2.9Å; D128-T130 PolarHBondContact O-N 2.98Å; T130-V134 VanDerWaalsContact O-CG2 3.27Å; T130-V134 WeakPolarHBondContact O-CG2 3.26Å; T130-V134 PolarHBondContact O-N 3.08Å
131Q89.5Confident86.3Confident109 Ų109101.1 Ų101.151%0.50949%0.491SS..Hα-helixtrans-69.7-46.4173.2-80171.17000111.9L127 D128 A133 V134 E135L127-Q131 VanDerWaalsContact O-CG 3.3Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.45Å; L127-Q131 VanDerWaalsContact O-N 3.12Å; L127-Q131 PolarHBondContact O-NE2 2.9Å; L127-Q131 VanDerWaalsContact O-NE2 3.08Å; D128-Q131 CarbonylContact O-C 3.5Å; D128-Q131 WeakPolarHBondContact O-CB 3.38Å; D128-Q131 PolarHBondContact O-N 2.97Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.28Å; Q131-V134 WeakPolarHBondContact O-CB 3.24Å; Q131-V134 PolarHBondContact O-N 3.24Å; Q131-V134 VanDerWaalsContact O-N 3.08Å; Q131-E135 PolarHBondContact O-N 3.12Å
132E90.9Very high87Confident133 Ų133102.4 Ų102.462%0.62150%0.497SS*.Hα-helixtrans-57.7-43175.8-73.3-177.3179.500111.3D128 V134 E135 Y136D128-E132 WeakPolarHBondContact O-CG 3.47Å; D128-E132 PolarHBondContact O-N 3.48Å; E132-V134 VanDerWaalsContact C-N 3.31Å; E132-V134 PolarHBondContact O-N 2.8Å; E132-E135 PolarHBondContact O-N 3.28Å; E132-Y136 VanDerWaalsContact O-CB 3.3Å; E132-Y136 WeakPolarHBondContact O-CB 3.08Å; E132-Y136 PolarHBondContact O-N 2.79Å
133A87.8Confident87.6Confident58 Ų58104.2 Ų104.248%0.47951%0.509SS..Hα-helixtrans-61.1-39.5175.400000112.4E129 Q131 Q137E129-A133 WeakPolarHBondContact O-CB 3.22Å; E129-A133 PolarHBondContact O-N 3.05Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.28Å; A133-Q137 WeakPolarHBondContact O-CB 3.38Å; A133-Q137 PolarHBondContact O-N 3.42Å
134V91.7Very high87.9Confident75 Ų75104 Ų10446%0.45551%0.505SS..Hα-helixtrans-68.5-40.2176.4170.20000111.5T130 Q131 E132 Q137 R138T130-V134 VanDerWaalsContact O-CG2 3.27Å; T130-V134 WeakPolarHBondContact O-CG2 3.26Å; T130-V134 PolarHBondContact O-N 3.08Å; Q131-V134 WeakPolarHBondContact O-CB 3.24Å; Q131-V134 PolarHBondContact O-N 3.24Å; Q131-V134 VanDerWaalsContact O-N 3.08Å; E132-V134 VanDerWaalsContact C-N 3.31Å; E132-V134 PolarHBondContact O-N 2.8Å; V134-Q137 PolarHBondContact O-N 3.39Å; V134-R138 WeakPolarHBondContact O-CG 3.25Å; V134-R138 PolarHBondContact O-N 3.02Å
135E92.4Very high87.9Confident104 Ų104103.4 Ų103.449%0.48652%0.517SS..Hα-helixtrans-68.5-42.9176.9-71.4-175.6174.800112.3Q131 E132 Q137 R138 Q139Q131-E135 PolarHBondContact O-N 3.12Å; E132-E135 PolarHBondContact O-N 3.28Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.74Å; E135-R138 WeakPolarHBondContact O-CB 3.42Å; E135-R138 PolarHBondContact O-N 3.08Å; E135-R138 VanDerWaalsContact O-N 3.13Å; E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 2.81Å
136Y90.3Very high87.6Confident149 Ų149100.6 Ų100.658%0.58453%0.528SS*.Hα-helixtrans-58.6-43.5174.3-179.2-111000111.1E132 R138 Q139 I140E132-Y136 VanDerWaalsContact O-CB 3.3Å; E132-Y136 WeakPolarHBondContact O-CB 3.08Å; E132-Y136 PolarHBondContact O-N 2.79Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 3.39Å; Y136-Q139 PolarHBondContact O-N 3.22Å; Y136-I140 HydrophobicContact CD1-CD1 3.77Å; Y136-I140 HydrophobicContact CE1-CD1 3.34Å; Y136-I140 HydrophobicContact CE1-CG1 4.28Å; Y136-I140 HydrophobicContact CE2-CD1 4.4Å; Y136-I140 HydrophobicContact CG-CD1 4.47Å; Y136-I140 WeakPolarHBondContact O-CG1 3.21Å; Y136-I140 PolarHBondContact O-N 3.3Å
137Q87.2Confident87.2Confident101 Ų10199.9 Ų99.947%0.47253%0.532SS..Hα-helixtrans-60-44.4174.5-170.861.147.400111.5A133 V134 E135 Q139 I140 D141A133-Q137 WeakPolarHBondContact O-CB 3.38Å; A133-Q137 PolarHBondContact O-N 3.42Å; V134-Q137 PolarHBondContact O-N 3.39Å; E135-Q137 VanDerWaalsContact C-N 3.29Å; E135-Q137 PolarHBondContact O-N 2.74Å; Q137-Q139 VanDerWaalsContact C-N 3.35Å; Q137-Q139 PolarHBondContact O-N 2.88Å; Q137-I140 WeakPolarHBondContact O-CB 3.13Å; Q137-I140 PolarHBondContact O-N 3.45Å; Q137-D141 PolarHBondContact NE2-OD1 2.88Å; Q137-D141 PolarHBondContact O-N 3.29Å
138R91.3Very high87Confident165 Ų16599.7 Ų99.762%0.62353%0.528SS*.Hα-helixtrans-63.1-37.2176-73.2175179.61671.5113.3V134 E135 Y136 D141 E142V134-R138 WeakPolarHBondContact O-CG 3.25Å; V134-R138 PolarHBondContact O-N 3.02Å; E135-R138 WeakPolarHBondContact O-CB 3.42Å; E135-R138 PolarHBondContact O-N 3.08Å; E135-R138 VanDerWaalsContact O-N 3.13Å; Y136-R138 VanDerWaalsContact C-N 3.34Å; Y136-R138 PolarHBondContact O-N 3.39Å; R138-D141 PolarHBondContact O-N 3.04Å; R138-E142 WeakPolarHBondContact O-CB 3.32Å; R138-E142 PolarHBondContact O-N 3.48Å
139Q87.6Confident86.6Confident107 Ų10799.2 Ų99.250%0.553%0.528SS..Hα-helixtrans-67-39.6176.5-72.3174.620.700111.7E135 Y136 Q137 D141 E142 L143E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 2.81Å; Y136-Q139 PolarHBondContact O-N 3.22Å; Q137-Q139 VanDerWaalsContact C-N 3.35Å; Q137-Q139 PolarHBondContact O-N 2.88Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; Q139-E142 PolarHBondContact O-N 2.91Å; Q139-L143 WeakPolarHBondContact O-CB 3.46Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 2.95Å
140I86Confident86.2Confident48 Ų48101.2 Ų101.225%0.24654%0.538CS..Hα-helixtrans-58.2-51.4170.8-70.3167.9000108.9Y136 Q137 E142 L143 L144Y136-I140 HydrophobicContact CD1-CD1 3.77Å; Y136-I140 HydrophobicContact CE1-CD1 3.34Å; Y136-I140 HydrophobicContact CE1-CG1 4.28Å; Y136-I140 HydrophobicContact CE2-CD1 4.4Å; Y136-I140 HydrophobicContact CG-CD1 4.47Å; Y136-I140 WeakPolarHBondContact O-CG1 3.21Å; Y136-I140 PolarHBondContact O-N 3.3Å; Q137-I140 WeakPolarHBondContact O-CB 3.13Å; Q137-I140 PolarHBondContact O-N 3.45Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 3.3Å; I140-L143 PolarHBondContact O-N 3.43Å; I140-L144 HydrophobicContact CG2-CD1 3.49Å; I140-L144 VanDerWaalsContact CG2-CD1 3.49Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.41Å; I140-L144 PolarHBondContact O-N 2.88Å
141D87.9Confident85.8Confident84 Ų84105.6 Ų105.645%0.44955%0.553SS.*Hα-helixtrans-58.7-40.7-179.2-60.8-20.6000111.6Q137 R138 Q139 L144 A145Q137-D141 PolarHBondContact NE2-OD1 2.88Å; Q137-D141 PolarHBondContact O-N 3.29Å; R138-D141 PolarHBondContact O-N 3.04Å; Q139-D141 VanDerWaalsContact C-N 3.33Å; D141-L144 PolarHBondContact O-N 3.32Å; D141-A145 VanDerWaalsContact O-CB 3.25Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 3.41Å
142E88.7Confident85.6Confident152 Ų152103.7 Ų103.771%0.7155%0.546SS*.Hα-helixtrans-67.9-44.6178.1-174.2177.1-172.400113.2R138 Q139 I140 L144 A145R138-E142 WeakPolarHBondContact O-CB 3.32Å; R138-E142 PolarHBondContact O-N 3.48Å; Q139-E142 PolarHBondContact O-N 2.91Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 3.3Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.45Å; E142-A145 PolarHBondContact O-N 3.13Å
143L85.2Confident85.3Confident127 Ų127102.5 Ų102.567%0.66554%0.54SS*.Hα-helixtrans-62.6-37.7176.1-75.1172.3000111.5Q139 I140 S147Q139-L143 WeakPolarHBondContact O-CB 3.46Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 2.95Å; I140-L143 PolarHBondContact O-N 3.43Å; L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-OG 3.23Å
144L83.5Confident85.2Confident77 Ų77104.5 Ų104.540%0.40354%0.543SS..Hα-helixtrans-75.2-35.7179.3-66.9177.2000112.2I140 D141 E142 G146 S147 F148I140-L144 HydrophobicContact CG2-CD1 3.49Å; I140-L144 VanDerWaalsContact CG2-CD1 3.49Å; I140-L144 HydrophobicContact CG2-CG 4.16Å; I140-L144 WeakPolarHBondContact O-CB 3.3Å; I140-L144 WeakPolarHBondContact O-CG 3.41Å; I140-L144 PolarHBondContact O-N 2.88Å; D141-L144 PolarHBondContact O-N 3.32Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.45Å; L144-G146 PolarHBondContact O-N 3.29Å; L144-S147 PolarHBondContact O-N 2.97Å; L144-F148 HydrophobicContact CB-CE2 3.87Å; L144-F148 HydrophobicContact CD2-CE2 3.5Å; L144-F148 VanDerWaalsContact CD2-CE2 3.5Å; L144-F148 HydrophobicContact CD2-CZ 3.53Å; L144-F148 HydrophobicContact CG-CE2 4.17Å; L144-F148 WeakPolarHBondContact O-CD2 3.45Å
145A81.8Confident84.9Confident88 Ų88103.1 Ų103.173%0.72754%0.54SS*.THydrogen-bonded Turntrans-59.8-17-173.700000115.7D141 E142D141-A145 VanDerWaalsContact O-CB 3.25Å; D141-A145 WeakPolarHBondContact O-CB 3.33Å; D141-A145 PolarHBondContact O-N 3.41Å; E142-A145 PolarHBondContact O-N 3.13Å
146G76.2Confident84.7Confident71 Ų71101.8 Ų101.873%0.73254%0.535SS*.THydrogen-bonded Turntrans-127.2-0.9178.600000115.7L144L144-G146 PolarHBondContact O-N 3.29Å
147S76.2Confident84.5Confident86 Ų8699.9 Ų99.960%0.60154%0.535SS*.THydrogen-bonded Turntrans-91.9-19.4-172.9-66.50000114L143 L144L143-S147 WeakPolarHBondContact O-CB 3.44Å; L143-S147 PolarHBondContact O-OG 3.23Å; L144-S147 PolarHBondContact O-N 2.97Å
148F80.2Confident84.6Confident86 Ų86101.9 Ų101.938%0.37754%0.544SS..  trans-89.3132.3-177.6-63.5-62.7000111.4L144 D152 E153 I156L144-F148 HydrophobicContact CB-CE2 3.87Å; L144-F148 HydrophobicContact CD2-CE2 3.5Å; L144-F148 VanDerWaalsContact CD2-CE2 3.5Å; L144-F148 HydrophobicContact CD2-CZ 3.53Å; L144-F148 HydrophobicContact CG-CE2 4.17Å; L144-F148 WeakPolarHBondContact O-CD2 3.45Å; F148-D152 HydrophobicContact CB-CB 4.11Å; F148-D152 HydrophobicContact CD1-CB 3.81Å; F148-D152 HydrophobicContact CG-CB 4.41Å; F148-E153 HydrophobicContact CB-CG 4.06Å; F148-I156 HydrophobicContact CD1-CD1 3.93Å; F148-I156 HydrophobicContact CE1-CD1 3.75Å; F148-I156 HydrophobicContact CE2-CD1 4.39Å; F148-I156 HydrophobicContact CG-CD1 4.34Å; F148-I156 HydrophobicContact CZ-CD1 3.98Å
149T82.7Confident84.4Confident76 Ų76100.6 Ų100.647%0.46655%0.545SS..  trans-78.5164.4164.967.20000109.7E151 D152 E153T149-E151 PolarHBondContact O-N 3.01Å; T149-D152 WeakPolarHBondContact CB-OD2 3.3Å; T149-D152 PolarHBondContact N-OD2 3.29Å; T149-D152 WeakPolarHBondContact O-CB 3.31Å; T149-D152 PolarHBondContact O-N 2.71Å; T149-D152 VanDerWaalsContact OG1-CG 3.26Å; T149-D152 PolarHBondContact OG1-N 3.46Å; T149-D152 PolarHBondContact OG1-OD2 3.33Å; T149-E153 PolarHBondContact O-N 2.91Å
150Q82.1Confident84.3Confident157 Ų157100.3 Ų100.373%0.73455%0.547SS*.Hα-helixtrans-56.8-34.7175.2-74.4-175.6-30.100112.4D152 E153 D154Q150-D152 VanDerWaalsContact C-N 3.32Å; Q150-D152 PolarHBondContact O-N 3.42Å; Q150-E153 PolarHBondContact O-N 2.83Å; Q150-D154 PolarHBondContact O-N 3.35Å; Q150-D154 VanDerWaalsContact O-N 3.09Å
151E82.9Confident84.3Confident164 Ų164101.2 Ų101.277%0.76656%0.557SS**Hα-helixtrans-66-34.6176.5-64.8-179173.500112T149 A155T149-E151 PolarHBondContact O-N 3.01Å; E151-A155 PolarHBondContact O-N 2.86Å; E151-A155 VanDerWaalsContact O-N 3.17Å
152D85.4Confident84.1Confident69 Ų6999.5 Ų99.537%0.36956%0.555SS.*Hα-helixtrans-72.1-41.2176.1-57.2-54.7000111.6F148 T149 Q150 D154 A155 I156F148-D152 HydrophobicContact CB-CB 4.11Å; F148-D152 HydrophobicContact CD1-CB 3.81Å; F148-D152 HydrophobicContact CG-CB 4.41Å; T149-D152 WeakPolarHBondContact CB-OD2 3.3Å; T149-D152 PolarHBondContact N-OD2 3.29Å; T149-D152 WeakPolarHBondContact O-CB 3.31Å; T149-D152 PolarHBondContact O-N 2.71Å; T149-D152 VanDerWaalsContact OG1-CG 3.26Å; T149-D152 PolarHBondContact OG1-N 3.46Å; T149-D152 PolarHBondContact OG1-OD2 3.33Å; Q150-D152 VanDerWaalsContact C-N 3.32Å; Q150-D152 PolarHBondContact O-N 3.42Å; D152-D154 VanDerWaalsContact C-N 3.34Å; D152-D154 PolarHBondContact O-N 3.24Å; D152-A155 PolarHBondContact O-N 2.86Å; D152-I156 WeakPolarHBondContact O-CD1 3.49Å; D152-I156 VanDerWaalsContact O-CG1 3.22Å; D152-I156 WeakPolarHBondContact O-CG1 3.37Å; D152-I156 PolarHBondContact O-N 2.91Å
153E83.8Confident83.8Confident108 Ų10896.7 Ų96.751%0.50554%0.543SS..Hα-helixtrans-60.8-43.7176.4-70.2-173.3165.600111.5F148 T149 Q150 I156 L157F148-E153 HydrophobicContact CB-CG 4.06Å; T149-E153 PolarHBondContact O-N 2.91Å; Q150-E153 PolarHBondContact O-N 2.83Å; E153-I156 PolarHBondContact O-N 3.35Å; E153-L157 WeakPolarHBondContact O-CB 3.31Å; E153-L157 VanDerWaalsContact O-CG 3.31Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.39Å
154D85.4Confident83.6Confident100 Ų10093.8 Ų93.854%0.53553%0.531SS..Hα-helixtrans-63.4-44177.5-73.4-23.6000111.4Q150 D152 I156 L157 E158Q150-D154 PolarHBondContact O-N 3.35Å; Q150-D154 VanDerWaalsContact O-N 3.09Å; D152-D154 VanDerWaalsContact C-N 3.34Å; D152-D154 PolarHBondContact O-N 3.24Å; D154-I156 PolarHBondContact O-N 2.69Å; D154-L157 PolarHBondContact O-N 2.94Å; D154-E158 WeakPolarHBondContact O-CG 3.17Å; D154-E158 PolarHBondContact O-N 3.44Å
155A86.5Confident83.2Confident47 Ų4796.7 Ų96.739%0.38854%0.542SS..Hα-helixtrans-62.7-41.1175.800000112.5E151 D152 E158 E159E151-A155 PolarHBondContact O-N 2.86Å; E151-A155 VanDerWaalsContact O-N 3.17Å; D152-A155 PolarHBondContact O-N 2.86Å; A155-E158 PolarHBondContact O-N 3.45Å; A155-E159 PolarHBondContact O-N 3.29Å
156I87.5Confident82.6Confident75 Ų7599.4 Ų99.439%0.38554%0.54SS..Hα-helixtrans-64-42.4175.7-69.3162.5000111F148 D152 E153 D154 E158 E159 L160F148-I156 HydrophobicContact CD1-CD1 3.93Å; F148-I156 HydrophobicContact CE1-CD1 3.75Å; F148-I156 HydrophobicContact CE2-CD1 4.39Å; F148-I156 HydrophobicContact CG-CD1 4.34Å; F148-I156 HydrophobicContact CZ-CD1 3.98Å; D152-I156 WeakPolarHBondContact O-CD1 3.49Å; D152-I156 VanDerWaalsContact O-CG1 3.22Å; D152-I156 WeakPolarHBondContact O-CG1 3.37Å; D152-I156 PolarHBondContact O-N 2.91Å; E153-I156 PolarHBondContact O-N 3.35Å; D154-I156 PolarHBondContact O-N 2.69Å; I156-E158 VanDerWaalsContact C-N 3.34Å; I156-E159 PolarHBondContact O-N 2.71Å; I156-L160 VanDerWaalsContact O-CB 3.3Å; I156-L160 WeakPolarHBondContact O-CB 3.36Å; I156-L160 PolarHBondContact O-N 3.21Å
157L87.1Confident81.9Confident110 Ų110102.9 Ų102.958%0.57654%0.537SS*.Hα-helixtrans-64-39.4176.4-73.5172.3000111.7E153 D154 S161E153-L157 WeakPolarHBondContact O-CB 3.31Å; E153-L157 VanDerWaalsContact O-CG 3.31Å; E153-L157 WeakPolarHBondContact O-CG 3.33Å; E153-L157 PolarHBondContact O-N 3.39Å; D154-L157 PolarHBondContact O-N 2.94Å; L157-S161 VanDerWaalsContact O-CB 3.31Å; L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.34Å
158E88Confident80.9Confident142 Ų142103.1 Ų103.166%0.66453%0.531SS*.Hα-helixtrans-62.7-49.3173.6-75.5-173.9178.400111.6D154 A155 I156 L160 S161 A162D154-E158 WeakPolarHBondContact O-CG 3.17Å; D154-E158 PolarHBondContact O-N 3.44Å; A155-E158 PolarHBondContact O-N 3.45Å; I156-E158 VanDerWaalsContact C-N 3.34Å; E158-L160 PolarHBondContact O-N 2.91Å; E158-S161 PolarHBondContact O-N 2.94Å; E158-S161 PolarHBondContact O-OG 3.46Å; E158-A162 PolarHBondContact O-N 3.41Å
159E87.5Confident79.8Confident138 Ų138107 Ų10765%0.64555%0.55SS**Hα-helixtrans-59.8-44.7176.6-74.9-170.8-179.400112.2A155 I156 S161 A162 I163A155-E159 PolarHBondContact O-N 3.29Å; I156-E159 PolarHBondContact O-N 2.71Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 2.89Å; E159-A162 PolarHBondContact O-N 2.94Å; E159-I163 WeakPolarHBondContact O-CG1 3.36Å; E159-I163 PolarHBondContact O-N 3.31Å
160L85.7Confident78.3Confident102 Ų102109.7 Ų109.753%0.53456%0.561SS.*Hα-helixtrans-63.2-39.2176.6-174.1140.5000111.6I156 E158 T164I156-L160 VanDerWaalsContact O-CB 3.3Å; I156-L160 WeakPolarHBondContact O-CB 3.36Å; I156-L160 PolarHBondContact O-N 3.21Å; E158-L160 PolarHBondContact O-N 2.91Å; L160-T164 WeakPolarHBondContact O-CB 3.34Å; L160-T164 PolarHBondContact O-N 3.49Å; L160-T164 PolarHBondContact O-OG1 3.06Å
161S85.4Confident77.1Confident67 Ų67107.5 Ų107.547%0.46956%0.561SS.*Hα-helixtrans-64.4-39.6175.879.70000112.1L157 E158 E159 T164 Q165L157-S161 VanDerWaalsContact O-CB 3.31Å; L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.34Å; E158-S161 PolarHBondContact O-N 2.94Å; E158-S161 PolarHBondContact O-OG 3.46Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 2.89Å; S161-T164 PolarHBondContact O-N 3.09Å; S161-Q165 WeakPolarHBondContact O-CB 3.46Å; S161-Q165 PolarHBondContact O-N 3.29Å
162A84.9Confident75.8Confident48 Ų48108.6 Ų108.640%0.39757%0.566SS.*Hα-helixtrans-64.5-47.3177.200000111.6E158 E159 T164 Q165 E166E158-A162 PolarHBondContact O-N 3.41Å; E159-A162 PolarHBondContact O-N 2.94Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 3.36Å; A162-Q165 PolarHBondContact O-N 2.99Å; A162-E166 WeakPolarHBondContact O-CG 3.46Å; A162-E166 PolarHBondContact O-N 2.96Å
163I81.3Confident74.2Confident92 Ų92111.1 Ų111.147%0.47258%0.583SS.*Hα-helixtrans-62.6-41.3176.4-64.5169.5000110.8E159 Q165 E166 Q167E159-I163 WeakPolarHBondContact O-CG1 3.36Å; E159-I163 PolarHBondContact O-N 3.31Å; I163-Q165 VanDerWaalsContact C-N 3.35Å; I163-E166 PolarHBondContact O-N 3.43Å; I163-Q167 WeakPolarHBondContact O-CG 3.46Å; I163-Q167 PolarHBondContact O-N 2.66Å
164T81.1Confident73.1Confident66 Ų66111.1 Ų111.141%0.40559%0.593SS.*Hα-helixtrans-65.3-40.7177.7-520000110.6L160 S161 A162 Q167 I168L160-T164 WeakPolarHBondContact O-CB 3.34Å; L160-T164 PolarHBondContact O-N 3.49Å; L160-T164 PolarHBondContact O-OG1 3.06Å; S161-T164 PolarHBondContact O-N 3.09Å; A162-T164 VanDerWaalsContact C-N 3.33Å; A162-T164 PolarHBondContact O-N 3.36Å; T164-Q167 CarbonylContact O-C 3.6Å; T164-Q167 PolarHBondContact O-N 3.48Å; T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 HydrophobicContact CG2-CG1 4.44Å; T164-I168 WeakPolarHBondContact O-CD1 3.22Å; T164-I168 WeakPolarHBondContact O-CG1 3.43Å; T164-I168 PolarHBondContact O-N 3.41Å
165Q75.8Confident71.7Confident138 Ų138112.2 Ų112.265%0.64561%0.608SS**Hα-helixtrans-65.4-37.9176.2-163.174.123.800112.1S161 A162 I163 I168S161-Q165 WeakPolarHBondContact O-CB 3.46Å; S161-Q165 PolarHBondContact O-N 3.29Å; A162-Q165 PolarHBondContact O-N 2.99Å; I163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-I168 PolarHBondContact O-N 3.4Å
166E70Confident70.2Confident146 Ų146117.9 Ų117.968%0.68263%0.627SS**Hα-helixtrans-65.4-39.7172.6-75.3-180-179.500112A162 I163 I168 E169A162-E166 WeakPolarHBondContact O-CG 3.46Å; A162-E166 PolarHBondContact O-N 2.96Å; I163-E166 PolarHBondContact O-N 3.43Å; E166-I168 VanDerWaalsContact C-N 3.34Å; E166-E169 PolarHBondContact O-N 2.95Å
167Q60.6Low68.4Low144 Ų144120.1 Ų120.167%0.67365%0.646SS**Hα-helixtrans-76.7-16.8175-70.2-174.118.300113.8I163 T164 E169 L170I163-Q167 WeakPolarHBondContact O-CG 3.46Å; I163-Q167 PolarHBondContact O-N 2.66Å; T164-Q167 CarbonylContact O-C 3.6Å; T164-Q167 PolarHBondContact O-N 3.48Å; Q167-E169 CarbonylContact O-C 3.57Å; Q167-E169 PolarHBondContact O-N 3.06Å; Q167-L170 PolarHBondContact O-N 3.26Å
168I55.3Low66.8Low90 Ų90122.6 Ų122.646%0.46266%0.659SS.*THydrogen-bonded Turntrans-73.41170-68.9159.2000111.7T164 Q165 E166 L170T164-I168 HydrophobicContact CG2-CD1 3.96Å; T164-I168 HydrophobicContact CG2-CG1 4.44Å; T164-I168 WeakPolarHBondContact O-CD1 3.22Å; T164-I168 WeakPolarHBondContact O-CG1 3.43Å; T164-I168 PolarHBondContact O-N 3.41Å; Q165-I168 PolarHBondContact O-N 3.4Å; E166-I168 VanDerWaalsContact C-N 3.34Å; I168-L170 HydrophobicContact CG2-CD1 4.43Å; I168-L170 PolarHBondContact O-N 3.31Å
169E56.4Low65.4Low169 Ų169121.8 Ų121.879%0.7967%0.666SS**SBendtrans-64.964.6142.5-67.8-167171.600109.1E166 Q167 P171E166-E169 PolarHBondContact O-N 2.95Å; Q167-E169 CarbonylContact O-C 3.57Å; Q167-E169 PolarHBondContact O-N 3.06Å; E169-P171 WeakPolarHBondContact O-CD 3.43Å
170L51.2Low63.4Low132 Ų132124.2 Ų124.269%0.69168%0.677SS**  trans-50.2112.4169.4-83146.6000105.3Q167 I168 E172Q167-L170 PolarHBondContact O-N 3.26Å; I168-L170 HydrophobicContact CG2-CD1 4.43Å; I168-L170 PolarHBondContact O-N 3.31Å; L170-E172 PolarHBondContact O-N 2.98Å
171P56.6Low61.4Low111 Ų111128 Ų12872%0.72169%0.689SS**  trans-55.6133173.521.8-30.4000106.8E169 V173E169-P171 WeakPolarHBondContact O-CD 3.43Å; P171-V173 PolarHBondContact O-N 2.95Å
172E57.2Low59.5Low187 Ų187131.7 Ų131.787%0.87470%0.702SS**  trans-42.4112.7178.3-78.9-173.4152.200108.3L170 P174L170-E172 PolarHBondContact O-N 2.98Å; E172-P174 WeakPolarHBondContact O-CD 3.48Å
173V50.1Low57.8Low121 Ų121134.9 Ų134.973%0.73372%0.719SS**  trans-55.3116.4173.3178.20000105.1P171 S175P171-V173 PolarHBondContact O-N 2.95Å; V173-S175 PolarHBondContact O-N 3.49Å
174P62Low56.1Low109 Ų109139.8 Ų139.871%0.70874%0.74SS**  trans-55.5115.4178.6-26.836.6000108E172 E176E172-P174 WeakPolarHBondContact O-CD 3.48Å; P174-E176 PolarHBondContact O-N 2.95Å
175S56.2Low53.9Low122 Ų122143.2 Ų143.285%0.85376%0.756SS**  trans-7927.3-178.546.20000112V173V173-S175 PolarHBondContact O-N 3.49Å
176E54.7Low52.4Low167 Ų167143.1 Ų143.178%0.7876%0.764SS**PPolyproline II helixtrans-89.7125.6176.4-69.7-171.2174.100109.8P174 L178P174-E176 PolarHBondContact O-N 2.95Å; E176-L178 PolarHBondContact O-N 3.36Å
177P50Low51.3Low122 Ų122141 Ų14179%0.79276%0.763SS**PPolyproline II helixtrans-63.2123.6-175.224-31.4000110.2
178L53.1Low50.6Low162 Ų162141 Ų14185%0.84877%0.773SS**PPolyproline II helixtrans-50.7128.1174.2-77.9164.3000110.1E176 E180E176-L178 PolarHBondContact O-N 3.36Å; L178-E180 PolarHBondContact O-N 3.23Å
179P58.8Low50Low124 Ų124146 Ų14681%0.80579%0.791SS**PPolyproline II helixtrans-66.1119.5-179.122.8-30.2000111K181P179-K181 PolarHBondContact O-N 3.17Å
180E46.1Very low49.1Very low189 Ų189142.3 Ų142.388%0.88379%0.79SS**  trans-62.8111.3168.3-66.8179.3167.400110.4L178L178-E180 PolarHBondContact O-N 3.23Å
181K43.4Very low48.4Very low181 Ų181147.5 Ų147.579%0.78780%0.8SS**  trans-163.595.5144.7-120.6160.7-179.5-179.90112.6P179P179-K181 PolarHBondContact O-N 3.17Å
182I44.4Very low48.1Very low146 Ų146147.4 Ų147.475%0.74980%0.8SS**  94.4133.794.4-74.7174.7000111
183P49Very low47.4Very low115 Ų115150.2 Ų150.275%0.74780%0.802SS**  trans-97.1124.5-154.133.9-23.1000111.4N185P183-N185 PolarHBondContact O-N 2.67Å
184E45.3Very low46.8Very low195 Ų195153.5 Ų153.591%0.91181%0.81SS**  trans-99.584.9161.9-143.5168-162.900109.6V186E184-V186 PolarHBondContact O-N 2.89Å
185N36.7Very low45.9Very low137 Ų137152.3 Ų152.373%0.73381%0.809SS**  trans-51.4113.1164-17014.3000110.4P183P183-N185 PolarHBondContact O-N 2.67Å
186V43.1Very low45Very low136 Ų136154.3 Ų154.382%0.82481%0.805SS**  trans-157.3139.3137.2-99.70000112.7E184E184-V186 PolarHBondContact O-N 2.89Å
187P47.8Very low44.4Very low103 Ų103153.9 Ų153.967%0.66981%0.807SS**  trans-102.6138.7-16536.6-26000111.9
188V45.8Very low43.9Very low144 Ų144153.5 Ų153.587%0.87380%0.802SS**  trans-126.987.5155.7-171.80000109.2A190V188-A190 PolarHBondContact O-N 3.44Å
189K42.2Very low43.1Very low193 Ų193150.1 Ų150.184%0.83980%0.798SS**  trans17.2102.9143-76.1173.6174.2171.90115.6
190A36.6Very low42.3Very low93 Ų93148.6 Ų148.677%0.76980%0.796SS**  trans-35.6138.3138.100000111.9V188V188-A190 PolarHBondContact O-N 3.44Å
191R38.1Very low42.3Very low241 Ų241149 Ų14991%0.90982%0.82SS**  trans-169.6155.6137.5-102.5-178.1-172.5-155.40.1110.1
192P49.9Very low42.2Very low109 Ų109147.5 Ų147.571%0.70882%0.821SS**  -122.9169.3-124.636.1-19.5000111.6
193R42.2Very low42.1Very low245 Ų245147.5 Ų147.593%0.92583%0.825SS**  trans-159.879.2147-108.7165.1-171177.81.7108.9A195R193-A195 PolarHBondContact O-N 3.02Å
194Q37.2Very low41.7Very low191 Ų191149.3 Ų149.389%0.89383%0.829SS**  trans-69.2111.6136.3-76.5172.6-13.200106.2
195A42.9Very low41.5Very low84 Ų84146.6 Ų146.669%0.69483%0.825SS**  trans-135.491.7144.600000101.3R193R193-A195 PolarHBondContact O-N 3.02Å
196E38.7Very low41.8Very low164 Ų164147.3 Ų147.377%0.76683%0.83SS**  46142.685.2-72.8-161.4157.100112.9
197L41.5Very low41.7Very low157 Ų157148 Ų14882%0.82283%0.831SS**  trans96.4124.8169.9-49.7174.7000112.2
198V39.1Very low41.3Very low114 Ų114151.2 Ų151.269%0.69184%0.842SS**  cis-170.712316.1123.90000104.8
199A36.6Very low40.9Very low92 Ų92151.8 Ų151.876%0.7684%0.84SS**  47.9103.6103.700000114.3
200A41.9Very low40.8Very low92 Ų92148.3 Ų148.376%0.7684%0.84SS**  trans-155106.7149.900000110.3
201S45.1Very low41.2Very low198 Ų198153.4 Ų153.4100%1.38585%0.847SS**  trans740155.81.90000118.1

Retrieved 201 of 201 residues in 33.8 ms (Link to these results)