A0A087XEB1_POEFO Loading...

SET domain containing 4

AlphaFold DB , UniProt , Accession A0A087XEB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 417 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
1M33.9Very low42.6Very low248 Ų248164.5 Ų164.5100%1.22280%0.804SS**  098.30-74.1163.6130.100109.1
2K32.9Very low43.3Very low214 Ų214154.8 Ų154.893%0.9377%0.769SS**  trans-84.9114.2178.9-79.2-179.4175.3177.40109.2R4K2-R4 PolarHBondContact O-N 3.42Å
3G32.4Very low44.7Very low79 Ų79153.8 Ų153.881%0.81475%0.751SS**  trans-63.9124178.700000111.9S5G3-S5 PolarHBondContact O-N 3.15Å; G3-S5 VanDerWaalsContact O-N 3.15Å
4R33.7Very low45.5Very low244 Ų244154.9 Ų154.992%0.92175%0.75SS**  trans-66.3106.2171.4-84.9176.6166.8173-4.5109.5K2 R6K2-R4 PolarHBondContact O-N 3.42Å; R4-R6 PolarHBondContact O-N 3.38Å; R4-R6 VanDerWaalsContact O-N 3.11Å
5S37.8Very low46.3Very low119 Ų119157.1 Ų157.183%0.83275%0.747SS**  trans-67.2103.9165.2-179.20000109.1G3 R7G3-S5 PolarHBondContact O-N 3.15Å; G3-S5 VanDerWaalsContact O-N 3.15Å; S5-R7 PolarHBondContact O-N 3.44Å
6R41.6Very low46.5Very low230 Ų230155.5 Ų155.587%0.86874%0.736SS**  trans-67.6113.6172.8-84.9-179168.2176.4-2.9108.6R4 V8R4-R6 PolarHBondContact O-N 3.38Å; R4-R6 VanDerWaalsContact O-N 3.11Å; R6-V8 PolarHBondContact O-N 3.44Å; R6-V8 VanDerWaalsContact O-N 3.08Å
7R46.8Very low46.9Very low233 Ų233155.9 Ų155.988%0.87973%0.729SS**  trans-57.3113.2170.3-78.3-179.4175.6-175.3-1.4109.2S5 G9S5-R7 PolarHBondContact O-N 3.44Å; R7-G9 PolarHBondContact O-N 3.08Å
8V48.8Very low47.3Very low78 Ų78157.1 Ų157.147%0.47373%0.731SS.*  trans-59.3130.5176.9-177.10000109.4R6 A12 R13R6-V8 PolarHBondContact O-N 3.44Å; R6-V8 VanDerWaalsContact O-N 3.08Å; V8-A12 HydrophobicContact CG1-CB 3.36Å; V8-R13 HydrophobicContact CB-CG 4.15Å; V8-R13 HydrophobicContact CG1-CG 3.93Å; V8-R13 VanDerWaalsContact O-CZ 3.24Å; V8-R13 PolarHBondContact O-NE 3.24Å; V8-R13 PolarHBondContact O-NH2 2.77Å
9G56.4Low47.4Very low46 Ų46160.6 Ų160.647%0.47474%0.737SS.*  trans-68158.8-179.300000113.8R7 T11 A12 R13R7-G9 PolarHBondContact O-N 3.08Å; G9-T11 VanDerWaalsContact C-N 3.26Å; G9-T11 PolarHBondContact O-N 3.31Å; G9-T11 VanDerWaalsContact O-N 3.17Å; G9-A12 PolarHBondContact O-N 3.11Å; G9-R13 PolarHBondContact O-N 3.34Å
10R53.8Low47.5Very low225 Ų225159.5 Ų159.585%0.84973%0.733SS**Hα-helixtrans-49-43.6-177.8-74.8-175.6-147.7154.66.9113.1R13 K14R10-R13 PolarHBondContact O-N 3.43Å; R10-K14 PolarHBondContact O-N 3.11Å
11T50.8Low47.8Very low94 Ų94158 Ų15858%0.57773%0.726SS**Hα-helixtrans-66.2-37.9-179.2-45.60000112.5G9 R15G9-T11 VanDerWaalsContact C-N 3.26Å; G9-T11 PolarHBondContact O-N 3.31Å; G9-T11 VanDerWaalsContact O-N 3.17Å; T11-R15 WeakPolarHBondContact O-CB 3.29Å; T11-R15 WeakPolarHBondContact O-CG 3.34Å; T11-R15 PolarHBondContact O-N 3.46Å
12A51.4Low49.1Very low47 Ų47150.6 Ų150.639%0.38870%0.699SS.*Hα-helixtrans-74.6-33.4178.600000112.1V8 G9 K16V8-A12 HydrophobicContact CG1-CB 3.36Å; G9-A12 PolarHBondContact O-N 3.11Å; A12-K16 VanDerWaalsContact O-CB 3.3Å; A12-K16 WeakPolarHBondContact O-CB 3.48Å; A12-K16 PolarHBondContact O-N 3.32Å
13R61.1Low50.9Low143 Ų143143.7 Ų143.754%0.5468%0.675SS.*Hα-helixtrans-67.8-44.3170.7-62.8-174-142.7173.86.5112V8 G9 R10 R15 K16 R17V8-R13 HydrophobicContact CB-CG 4.15Å; V8-R13 HydrophobicContact CG1-CG 3.93Å; V8-R13 VanDerWaalsContact O-CZ 3.24Å; V8-R13 PolarHBondContact O-NE 3.24Å; V8-R13 PolarHBondContact O-NH2 2.77Å; G9-R13 PolarHBondContact O-N 3.34Å; R10-R13 PolarHBondContact O-N 3.43Å; R13-R15 PolarHBondContact O-N 2.97Å; R13-K16 PolarHBondContact O-N 2.94Å; R13-R17 WeakPolarHBondContact O-CB 3.5Å; R13-R17 PolarHBondContact O-N 2.85Å
14K56.4Low53.4Low169 Ų169149.6 Ų149.674%0.73567%0.672SS**Hα-helixtrans-58.4-45.8173-98.3-173.2174.2-176.90111.4R10 K18R10-K14 PolarHBondContact O-N 3.11Å; K14-K18 VanDerWaalsContact O-CB 3.26Å; K14-K18 WeakPolarHBondContact O-CB 3.32Å; K14-K18 PolarHBondContact O-N 3.16Å
15R57.3Low56Low188 Ų188139.6 Ų139.671%0.70964%0.64SS**Hα-helixtrans-65.8-39.1177.6-76.3178.9-179.4175.80.2113T11 R13 R19T11-R15 WeakPolarHBondContact O-CB 3.29Å; T11-R15 WeakPolarHBondContact O-CG 3.34Å; T11-R15 PolarHBondContact O-N 3.46Å; R13-R15 PolarHBondContact O-N 2.97Å; R15-R19 WeakPolarHBondContact O-CB 3.46Å; R15-R19 PolarHBondContact O-N 3.07Å; R15-R19 VanDerWaalsContact O-N 3.08Å
16K48.8Very low58.6Low131 Ų131138.4 Ų138.457%0.5763%0.627SS**Hα-helixtrans-65.8-47176.3-171.4175.3175-179.20111.5A12 R13 K18 R19 E20A12-K16 VanDerWaalsContact O-CB 3.3Å; A12-K16 WeakPolarHBondContact O-CB 3.48Å; A12-K16 PolarHBondContact O-N 3.32Å; R13-K16 PolarHBondContact O-N 2.94Å; K16-K18 VanDerWaalsContact C-N 3.34Å; K16-K18 PolarHBondContact O-N 3.02Å; K16-R19 PolarHBondContact O-N 2.93Å; K16-R19 VanDerWaalsContact O-N 3.09Å; K16-E20 WeakPolarHBondContact CE-OE1 3.17Å; K16-E20 IonicContact NZ-OE1 3.97Å; K16-E20 WeakPolarHBondContact O-CG 3.4Å; K16-E20 PolarHBondContact O-N 2.9Å
17R53.3Low61Low162 Ų162129.3 Ų129.361%0.61160%0.599SS**Hα-helixtrans-61.8-39.8176.6-151175.7-177.5-169.7-0.5112.2R13 R19 E20 Q21R13-R17 WeakPolarHBondContact O-CB 3.5Å; R13-R17 PolarHBondContact O-N 2.85Å; R17-R19 VanDerWaalsContact C-N 3.3Å; R17-R19 PolarHBondContact O-N 3.17Å; R17-E20 PolarHBondContact O-N 3.34Å; R17-Q21 PolarHBondContact O-N 3.4Å; R17-Q21 VanDerWaalsContact O-N 3.14Å
18K54.5Low63.2Low178 Ų178118.7 Ų118.777%0.77456%0.56SS**Hα-helixtrans-68.7-24.3175.6-150.1178.7-169.7-1720113.5K14 K16K14-K18 VanDerWaalsContact O-CB 3.26Å; K14-K18 WeakPolarHBondContact O-CB 3.32Å; K14-K18 PolarHBondContact O-N 3.16Å; K16-K18 VanDerWaalsContact C-N 3.34Å; K16-K18 PolarHBondContact O-N 3.02Å
19R48.6Very low65.2Low224 Ų224117.3 Ų117.385%0.84555%0.553SS**Hα-helixtrans-87.5-28.8177.3-164.5179176.9-164.5-1.4112.4R15 K16 R17R15-R19 WeakPolarHBondContact O-CB 3.46Å; R15-R19 PolarHBondContact O-N 3.07Å; R15-R19 VanDerWaalsContact O-N 3.08Å; K16-R19 PolarHBondContact O-N 2.93Å; K16-R19 VanDerWaalsContact O-N 3.09Å; R17-R19 VanDerWaalsContact C-N 3.3Å; R17-R19 PolarHBondContact O-N 3.17Å
20E49.2Very low66.9Low137 Ų137121.6 Ų121.664%0.6456%0.561SS**Hα-helixtrans-81.4-22.6176.6-72.5167.6174.300112.7K16 R17K16-E20 WeakPolarHBondContact CE-OE1 3.17Å; K16-E20 IonicContact NZ-OE1 3.97Å; K16-E20 WeakPolarHBondContact O-CG 3.4Å; K16-E20 PolarHBondContact O-N 2.9Å; R17-E20 PolarHBondContact O-N 3.34Å
21Q54.8Low68.9Low129 Ų129114.2 Ų114.260%0.60354%0.536SS*.  trans-10556.3175.4-69.4177.2-37.800112.4R17 V23R17-Q21 PolarHBondContact O-N 3.4Å; R17-Q21 VanDerWaalsContact O-N 3.14Å; Q21-V23 PolarHBondContact O-N 2.95Å
22S61.9Low71Confident93 Ų93115 Ų11565%0.6554%0.536SS*.  trans-68.7105.7173.179.90000109.4R24S22-R24 PolarHBondContact O-N 3.06Å
23V70.6Confident73.1Confident68 Ų68115.1 Ų115.141%0.41253%0.528SS..  trans-57.7120.8174.7178.70000108.8Q21 F56 D58Q21-V23 PolarHBondContact O-N 2.95Å; V23-F56 HydrophobicContact CG1-CB 4.16Å; V23-F56 HydrophobicContact CG1-CD1 3.88Å; V23-D58 WeakPolarHBondContact CG1-OD1 3.43Å; V23-D58 VanDerWaalsContact CG2-OD2 3.27Å; V23-D58 WeakPolarHBondContact CG2-OD2 3.45Å
24R83.3Confident74.7Confident204 Ų204108.5 Ų108.577%0.7750%0.503SS*.  trans-80.7139.7176.7-69.3-175.2178.7177.50.2108.7S22 S57S22-R24 PolarHBondContact O-N 3.06Å; R24-S57 PolarHBondContact N-OG 2.77Å; R24-S57 PolarHBondContact O-N 2.99Å; R24-S57 VanDerWaalsContact O-N 3.08Å
25S88.1Confident76.6Confident33 Ų33104 Ų10423%0.23149%0.49CS..EExtended strand (participates in β ladder)trans-135.9139.8177.949.50000111.5L55 K64S25-L55 CarbonylContact C-O 3.46Å; S25-L55 VanDerWaalsContact CA-O 3.22Å; S25-L55 WeakPolarHBondContact CA-O 3.3Å; S25-K64 WeakPolarHBondContact OG-CD 3.3Å; S25-K64 WeakPolarHBondContact OG-CE 3.36Å; S25-K64 PolarHBondContact OG-NZ 3.4Å
26V92.4Very high78.5Confident95 Ų9599 Ų9958%0.57647%0.471SS*.EExtended strand (participates in β ladder)trans-115.6130.2174.8-178.90000108.6A54 L55V26-A54 CarbonylContact O-C 3.6Å; V26-A54 WeakPolarHBondContact O-CA 3.38Å; V26-A54 WeakPolarHBondContact O-CB 3.47Å; V26-L55 PolarHBondContact N-O 2.98Å; V26-L55 PolarHBondContact O-N 3.07Å
27S92.9Very high80.7Confident39 Ų3992.8 Ų92.827%0.27344%0.444SS..EExtended strand (participates in β ladder)trans-66.4135.5178.51770000110.7S29 H30 Q52S27-S29 PolarHBondContact OG-N 3.31Å; S27-S29 PolarHBondContact OG-OG 3.03Å; S27-H30 PolarHBondContact O-CE1 2.95Å; S27-H30 PolarHBondContact O-ND1 2.6Å; S27-Q52 PolarHBondContact OG-OE1 3.1Å
28L93.8Very high82.7Confident10 Ų1086.9 Ų86.95%0.05242%0.424CS..  trans-102.3-2.7176-61.4173.3000112.3H30 Q31 Y34 P53 A54 L55 R61L28-H30 PolarHBondContact O-N 2.9Å; L28-Q31 WeakPolarHBondContact O-CB 3.31Å; L28-Q31 PolarHBondContact O-N 3.39Å; L28-Y34 HydrophobicContact CB-CD2 3.68Å; L28-Y34 HydrophobicContact CB-CE2 3.55Å; L28-Y34 HydrophobicContact CD1-CE2 3.81Å; L28-Y34 HydrophobicContact CG-CE2 4.22Å; L28-Y34 VanDerWaalsContact O-CD2 3.3Å; L28-Y34 WeakPolarHBondContact O-CD2 3.42Å; L28-P53 HydrophobicContact CB-CB 4.05Å; L28-P53 PolarHBondContact N-O 3.19Å; L28-A54 VanDerWaalsContact CD1-C 3.49Å; L28-L55 HydrophobicContact CD1-CB 4.15Å; L28-L55 HydrophobicContact CD2-CB 4.06Å; L28-L55 HydrophobicContact CG-CB 4.21Å; L28-R61 HydrophobicContact CD1-CB 4.38Å; L28-R61 HydrophobicContact CD1-CG 4.01Å
29S90.9Very high84.7Confident48 Ų4885 Ų8534%0.33642%0.416SS..THydrogen-bonded Turntrans-59-24.4-175-61.70000114.6S27 Q31 V35S27-S29 PolarHBondContact OG-N 3.31Å; S27-S29 PolarHBondContact OG-OG 3.03Å; S29-Q31 VanDerWaalsContact C-N 3.34Å; S29-V35 VanDerWaalsContact O-CG2 3.31Å; S29-V35 WeakPolarHBondContact O-CG2 3.43Å
30H91.5Very high87Confident137 Ų13774.6 Ų74.663%0.63438%0.377SS*.THydrogen-bonded Turntrans-79.1-16.3178.866.8-84.4000113.3S27 L28S27-H30 PolarHBondContact O-CE1 2.95Å; S27-H30 PolarHBondContact O-ND1 2.6Å; L28-H30 PolarHBondContact O-N 2.9Å
31Q95.5Very high89.2Confident70 Ų7068.1 Ų68.133%0.32735%0.346SS..SBendtrans-73.1138.6-179.5-59.3-177.4-1700110.3L28 S29 Q33 Y34 V35L28-Q31 WeakPolarHBondContact O-CB 3.31Å; L28-Q31 PolarHBondContact O-N 3.39Å; S29-Q31 VanDerWaalsContact C-N 3.34Å; Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 HydrophobicContact CB-CG 4.33Å; Q31-Q33 PolarHBondContact O-N 3.17Å; Q31-Y34 HydrophobicContact CB-CD2 4.13Å; Q31-Y34 PolarHBondContact O-N 3.12Å; Q31-V35 PolarHBondContact O-N 2.92Å; Q31-V35 VanDerWaalsContact O-N 3.09Å
32L95.4Very high91.1Very high109 Ų10966.8 Ų66.857%0.57134%0.34SS*.Hα-helixtrans-54.3-41.1-173-177.260.3000113.3Y34 V35 R36L32-Y34 VanDerWaalsContact C-N 3.33Å; L32-Y34 PolarHBondContact O-N 3.08Å; L32-V35 PolarHBondContact O-N 2.98Å; L32-R36 HydrophobicContact CD1-CG 4.23Å; L32-R36 HydrophobicContact CG-CG 4.38Å; L32-R36 WeakPolarHBondContact O-CB 3.44Å; L32-R36 WeakPolarHBondContact O-CG 2.92Å; L32-R36 PolarHBondContact O-N 3.39Å
33Q95.3Very high92.8Very high51 Ų5169 Ų6924%0.23834%0.34CS..Hα-helixtrans-57.7-42177.667.7-167.727.800112.6Q31 L37 D132 V133Q31-Q33 VanDerWaalsContact C-N 3.28Å; Q31-Q33 HydrophobicContact CB-CG 4.33Å; Q31-Q33 PolarHBondContact O-N 3.17Å; Q33-L37 WeakPolarHBondContact O-CB 3.42Å; Q33-L37 PolarHBondContact O-N 3.42Å; Q33-D132 WeakPolarHBondContact CB-OD2 3.44Å; Q33-V133 HydrophobicContact CB-CG2 4Å; Q33-V133 HydrophobicContact CG-CG2 4.17Å
34Y95.1Very high94Very high3 Ų368.8 Ų68.81%0.01233%0.332CS..Hα-helixtrans-76.7-33.7178.8-70.8-69.5000112.1L28 Q31 L32 L37 M38 P53 R61 V133 L234L28-Y34 HydrophobicContact CB-CD2 3.68Å; L28-Y34 HydrophobicContact CB-CE2 3.55Å; L28-Y34 HydrophobicContact CD1-CE2 3.81Å; L28-Y34 HydrophobicContact CG-CE2 4.22Å; L28-Y34 VanDerWaalsContact O-CD2 3.3Å; L28-Y34 WeakPolarHBondContact O-CD2 3.42Å; Q31-Y34 HydrophobicContact CB-CD2 4.13Å; Q31-Y34 PolarHBondContact O-N 3.12Å; L32-Y34 VanDerWaalsContact C-N 3.33Å; L32-Y34 PolarHBondContact O-N 3.08Å; Y34-L37 HydrophobicContact CD1-CD2 4.36Å; Y34-L37 PolarHBondContact O-N 3.49Å; Y34-M38 WeakPolarHBondContact O-CB 3.38Å; Y34-M38 VanDerWaalsContact O-CG 3.31Å; Y34-M38 WeakPolarHBondContact O-CG 3.35Å; Y34-M38 PolarHBondContact O-N 2.96Å; Y34-P53 HydrophobicContact CD1-CB 3.72Å; Y34-P53 HydrophobicContact CD1-CG 3.64Å; Y34-P53 HydrophobicContact CD2-CB 4.47Å; Y34-P53 HydrophobicContact CE1-CB 3.78Å; Y34-P53 HydrophobicContact CE1-CG 4.08Å; Y34-P53 HydrophobicContact CG-CB 4.09Å; Y34-P53 HydrophobicContact CG-CG 4.16Å; Y34-R61 WeakPolarHBondContact OH-CD 3.41Å; Y34-V133 HydrophobicContact CD1-CG1 4.21Å; Y34-V133 HydrophobicContact CD1-CG2 4.32Å; Y34-V133 HydrophobicContact CE1-CG1 3.51Å; Y34-V133 HydrophobicContact CE1-CG2 4.36Å; Y34-L234 HydrophobicContact CE1-CD1 3.87Å; Y34-L234 HydrophobicContact CE1-CD2 4.48Å
35V95.4Very high94.6Very high74 Ų7461.5 Ų61.545%0.44832%0.321SS..Hα-helixtrans-61.9-46.2172.1176.80000110.5S29 Q31 L32 M38 K39S29-V35 VanDerWaalsContact O-CG2 3.31Å; S29-V35 WeakPolarHBondContact O-CG2 3.43Å; Q31-V35 PolarHBondContact O-N 2.92Å; Q31-V35 VanDerWaalsContact O-N 3.09Å; L32-V35 PolarHBondContact O-N 2.98Å; V35-M38 PolarHBondContact O-N 2.98Å; V35-K39 PolarHBondContact O-N 3.41Å
36R96.5Very high94.9Very high83 Ų8360 Ų6031%0.31331%0.31SS..Hα-helixtrans-60.9-47.8175.7-73.8172.6170.9-171.1-12.8111.1L32 M38 K39 F40 E123 P129L32-R36 HydrophobicContact CD1-CG 4.23Å; L32-R36 HydrophobicContact CG-CG 4.38Å; L32-R36 WeakPolarHBondContact O-CB 3.44Å; L32-R36 WeakPolarHBondContact O-CG 2.92Å; L32-R36 PolarHBondContact O-N 3.39Å; R36-M38 PolarHBondContact O-N 3.42Å; R36-K39 PolarHBondContact O-N 3.17Å; R36-F40 WeakPolarHBondContact O-CB 3.48Å; R36-F40 PolarHBondContact O-N 3.42Å; R36-E123 IonicContact CZ-OE1 3.67Å; R36-E123 VanDerWaalsContact CZ-OE1 3.31Å; R36-E123 IonicContact NH1-OE1 3.79Å; R36-E123 PolarHBondContact NH1-OE1 3.39Å; R36-E123 IonicContact NH2-OE1 3.76Å; R36-E123 PolarHBondContact NH2-OE1 3.14Å; R36-P129 HydrophobicContact CB-CB 4.22Å
37L96.3Very high94.5Very high1 Ų160 Ų601%0.00531%0.314CS..Hα-helixtrans-56.9-49.4176.3175.161.4000111.8Q33 Y34 K39 F40 L41 V133 P230Q33-L37 WeakPolarHBondContact O-CB 3.42Å; Q33-L37 PolarHBondContact O-N 3.42Å; Y34-L37 HydrophobicContact CD1-CD2 4.36Å; Y34-L37 PolarHBondContact O-N 3.49Å; L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 3.47Å; L37-F40 HydrophobicContact CD1-CD1 4.38Å; L37-F40 WeakPolarHBondContact O-CB 3.26Å; L37-F40 PolarHBondContact O-N 3.38Å; L37-L41 HydrophobicContact CD1-CD1 4.01Å; L37-L41 HydrophobicContact CD1-CG 4.13Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.44Å; L37-V133 HydrophobicContact CB-CG2 4.1Å; L37-V133 HydrophobicContact CD2-CB 4.38Å; L37-V133 HydrophobicContact CD2-CG1 4.23Å; L37-V133 HydrophobicContact CD2-CG2 4.02Å; L37-P230 HydrophobicContact CD1-CB 3.92Å
38M95.4Very high93.6Very high38 Ų3859.1 Ų59.119%0.18731%0.307CS..Hα-helixtrans-62.7-41.5179.4-70.4-54.4-62.200111.2Y34 V35 R36 F40 L41 H42 F46 F231Y34-M38 WeakPolarHBondContact O-CB 3.38Å; Y34-M38 VanDerWaalsContact O-CG 3.31Å; Y34-M38 WeakPolarHBondContact O-CG 3.35Å; Y34-M38 PolarHBondContact O-N 2.96Å; V35-M38 PolarHBondContact O-N 2.98Å; R36-M38 PolarHBondContact O-N 3.42Å; M38-F40 PolarHBondContact O-N 3.09Å; M38-L41 PolarHBondContact O-N 3.31Å; M38-L41 HydrophobicContact SD-CD1 4.36Å; M38-H42 PolarHBondContact O-N 3.49Å; M38-H42 PolarHBondContact O-ND1 2.97Å; M38-F46 HydrophobicContact CE-CD1 4.18Å; M38-F46 HydrophobicContact CE-CE1 3.96Å; M38-F231 HydrophobicContact CE-CE2 4.3Å; M38-F231 HydrophobicContact SD-CD2 3.56Å; M38-F231 VanDerWaalsContact SD-CD2 3.56Å; M38-F231 HydrophobicContact SD-CE2 3.46Å; M38-F231 WeakPolarHBondContact SD-CE2 3.39Å; M38-F231 HydrophobicContact SD-CZ 4.36Å
39K95.5Very high92.6Very high139 Ų13963.8 Ų63.860%0.60434%0.337SS*.Hα-helixtrans-60.5-44.7175.4-171.7178.8-179.9-178.70111.9V35 R36 L37 L41 H42 Q43V35-K39 PolarHBondContact O-N 3.41Å; R36-K39 PolarHBondContact O-N 3.17Å; L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 3.47Å; K39-L41 VanDerWaalsContact C-N 3.29Å; K39-L41 PolarHBondContact O-N 3.2Å; K39-H42 PolarHBondContact O-N 3.32Å; K39-Q43 WeakPolarHBondContact O-CG 3.42Å; K39-Q43 PolarHBondContact O-N 3.25Å; K39-Q43 VanDerWaalsContact O-N 3.12Å
40F96.5Very high92.4Very high6 Ų663.1 Ų63.13%0.02633%0.329CS..Hα-helixtrans-57.5-40.8175.6164.1-84.1000112.4R36 L37 M38 R44 D126 W127 P129R36-F40 WeakPolarHBondContact O-CB 3.48Å; R36-F40 PolarHBondContact O-N 3.42Å; L37-F40 HydrophobicContact CD1-CD1 4.38Å; L37-F40 WeakPolarHBondContact O-CB 3.26Å; L37-F40 PolarHBondContact O-N 3.38Å; M38-F40 PolarHBondContact O-N 3.09Å; F40-R44 VanDerWaalsContact CD2-CZ 3.48Å; F40-R44 VanDerWaalsContact CZ-CZ 3.41Å; F40-R44 PolarHBondContact O-NH1 3.44Å; F40-R44 VanDerWaalsContact O-NH1 3.12Å; F40-D126 WeakPolarHBondContact CD2-O 3.39Å; F40-D126 WeakPolarHBondContact CE2-O 3.43Å; F40-W127 HydrophobicContact CE1-CZ3 4.26Å; F40-W127 HydrophobicContact CE2-CE3 4.36Å; F40-W127 HydrophobicContact CZ-CD2 4.25Å; F40-W127 AromaticContact CZ-CE3 3.67Å; F40-W127 HydrophobicContact CZ-CE3 3.67Å; F40-W127 HydrophobicContact CZ-CH2 4.19Å; F40-W127 AromaticContact CZ-CZ3 3.64Å; F40-W127 HydrophobicContact CZ-CZ3 3.64Å; F40-P129 HydrophobicContact CB-CB 3.66Å; F40-P129 HydrophobicContact CB-CG 3.93Å; F40-P129 HydrophobicContact CD2-CB 4.18Å; F40-P129 HydrophobicContact CD2-CG 3.98Å; F40-P129 HydrophobicContact CG-CB 3.99Å; F40-P129 HydrophobicContact CG-CG 4.23Å
41L96.4Very high92.5Very high0 Ų057.1 Ų57.10%030%0.302CS..Hα-helixtrans-72.8-43.2178.9-72.7176.7000112.5L37 M38 K39 Q43 R44 G45 F46 L78 C82 P230 F231L37-L41 HydrophobicContact CD1-CD1 4.01Å; L37-L41 HydrophobicContact CD1-CG 4.13Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 3.44Å; M38-L41 PolarHBondContact O-N 3.31Å; M38-L41 HydrophobicContact SD-CD1 4.36Å; K39-L41 VanDerWaalsContact C-N 3.29Å; K39-L41 PolarHBondContact O-N 3.2Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 2.97Å; L41-R44 CarbonylContact O-C 3.47Å; L41-R44 WeakPolarHBondContact O-CA 3.39Å; L41-R44 PolarHBondContact O-N 3.37Å; L41-G45 PolarHBondContact O-N 3.26Å; L41-F46 HydrophobicContact CB-CB 3.81Å; L41-F46 HydrophobicContact CB-CD1 3.76Å; L41-F46 HydrophobicContact CB-CG 4.16Å; L41-F46 HydrophobicContact CD1-CD1 3.92Å; L41-F46 HydrophobicContact CD1-CE1 4.18Å; L41-F46 HydrophobicContact CG-CD1 4.39Å; L41-F46 WeakPolarHBondContact O-CB 3.35Å; L41-F46 PolarHBondContact O-N 3.32Å; L41-L78 HydrophobicContact CD2-CD1 4.1Å; L41-C82 HydrophobicContact CD2-CB 3.69Å; L41-P230 HydrophobicContact CD2-CB 4.2Å; L41-F231 HydrophobicContact CD1-CB 3.46Å; L41-F231 VanDerWaalsContact CD1-CB 3.46Å; L41-F231 HydrophobicContact CD1-CD2 4.44Å; L41-F231 HydrophobicContact CD1-CG 4.14Å
42H95.6Very high92.4Very high102 Ų10255.6 Ų55.647%0.47230%0.295SS..Hα-helixtrans-59.8-40.7176.7-72.6108000112.2M38 K39 R44 G45 F46M38-H42 PolarHBondContact O-N 3.49Å; M38-H42 PolarHBondContact O-ND1 2.97Å; K39-H42 PolarHBondContact O-N 3.32Å; H42-R44 PolarHBondContact O-N 3.19Å; H42-R44 VanDerWaalsContact O-N 3.17Å; H42-G45 PolarHBondContact O-N 2.98Å; H42-F46 WeakPolarHBondContact CA-O 3.5Å; H42-F46 PolarHBondContact CD2-O 3.14Å
43Q95.9Very high92.3Very high140 Ų14050.6 Ų50.665%0.65427%0.269SS*.THydrogen-bonded Turntrans-61.6-22175-72.7173.4-18.300113.2K39 L41K39-Q43 WeakPolarHBondContact O-CG 3.42Å; K39-Q43 PolarHBondContact O-N 3.25Å; K39-Q43 VanDerWaalsContact O-N 3.12Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 2.97Å
44R96.3Very high92.3Very high62 Ų6248.1 Ų48.123%0.23426%0.257CS..THydrogen-bonded Turntrans-100.810.9178.7-71.7169.3173.375.5-0.7113.1F40 L41 H42 S81 C82F40-R44 VanDerWaalsContact CD2-CZ 3.48Å; F40-R44 VanDerWaalsContact CZ-CZ 3.41Å; F40-R44 PolarHBondContact O-NH1 3.44Å; F40-R44 VanDerWaalsContact O-NH1 3.12Å; L41-R44 CarbonylContact O-C 3.47Å; L41-R44 WeakPolarHBondContact O-CA 3.39Å; L41-R44 PolarHBondContact O-N 3.37Å; H42-R44 PolarHBondContact O-N 3.19Å; H42-R44 VanDerWaalsContact O-N 3.17Å; R44-S81 VanDerWaalsContact CD-O 3.32Å; R44-S81 WeakPolarHBondContact CD-O 3.49Å; R44-S81 PolarHBondContact O-OG 3.28Å; R44-C82 VanDerWaalsContact CB-SG 3.51Å
45G95.1Very high92.1Very high52 Ų5252 Ų5254%0.53628%0.277SS..THydrogen-bonded Turntrans92.68173.900000115.2L41 H42L41-G45 PolarHBondContact O-N 3.26Å; H42-G45 PolarHBondContact O-N 2.98Å
46F94.9Very high91.8Very high2 Ų250.3 Ų50.31%0.00926%0.264CS..  trans-78.3133.3173.7-175.2-119.8000111.2M38 L41 H42 V76 S77 L78 F231M38-F46 HydrophobicContact CE-CD1 4.18Å; M38-F46 HydrophobicContact CE-CE1 3.96Å; L41-F46 HydrophobicContact CB-CB 3.81Å; L41-F46 HydrophobicContact CB-CD1 3.76Å; L41-F46 HydrophobicContact CB-CG 4.16Å; L41-F46 HydrophobicContact CD1-CD1 3.92Å; L41-F46 HydrophobicContact CD1-CE1 4.18Å; L41-F46 HydrophobicContact CG-CD1 4.39Å; L41-F46 WeakPolarHBondContact O-CB 3.35Å; L41-F46 PolarHBondContact O-N 3.32Å; H42-F46 WeakPolarHBondContact CA-O 3.5Å; H42-F46 PolarHBondContact CD2-O 3.14Å; F46-V76 HydrophobicContact CE2-CG2 3.87Å; F46-V76 HydrophobicContact CZ-CG2 4.02Å; F46-S77 VanDerWaalsContact CD2-O 3.26Å; F46-S77 WeakPolarHBondContact CD2-O 3.32Å; F46-S77 VanDerWaalsContact CE2-O 3.27Å; F46-S77 WeakPolarHBondContact CE2-O 3.32Å; F46-L78 HydrophobicContact CB-CD1 4.41Å; F46-L78 HydrophobicContact CD2-CD1 3.59Å; F46-L78 HydrophobicContact CE2-CD1 3.89Å; F46-L78 HydrophobicContact CG-CD1 4Å; F46-F231 AromaticContact CE1-CD1 3.75Å; F46-F231 HydrophobicContact CE1-CD1 3.75Å; F46-F231 AromaticContact CE1-CE1 3.86Å; F46-F231 HydrophobicContact CE1-CE1 3.86Å; F46-F231 HydrophobicContact CE1-CG 4.13Å; F46-F231 HydrophobicContact CE1-CZ 4.32Å; F46-F231 AromaticContact CZ-CD1 3.51Å; F46-F231 HydrophobicContact CZ-CD1 3.51Å; F46-F231 AromaticContact CZ-CE1 3.59Å; F46-F231 HydrophobicContact CZ-CE1 3.59Å; F46-F231 HydrophobicContact CZ-CG 4.32Å; F46-F231 HydrophobicContact CZ-CZ 4.43Å
47S84.4Confident91.1Very high94 Ų9450.7 Ų50.766%0.65728%0.28SS*.  trans-132.614.5-173.457.20000114.3T49S47-T49 PolarHBondContact O-N 2.93Å
48S73.6Confident90.1Very high20 Ų2055 Ų5514%0.1430%0.303CS..  trans-66.4131.7-173.5-171.20000113
49T72.3Confident89.3Confident109 Ų10955.2 Ų55.267%0.66931%0.306SS*.  trans-116.5-7.517855.10000113.3S47 L66S47-T49 PolarHBondContact O-N 2.93Å; T49-L66 WeakPolarHBondContact O-CD1 3.22Å
50L88.2Confident88.9Confident33 Ų3349.9 Ų49.917%0.17329%0.291CS..SBendtrans-78.6-24.2-172-62.9-176.2000113.5T65 L66 Q67L50-T65 CarbonylContact O-C 3.53Å; L50-T65 WeakPolarHBondContact O-CA 3.41Å; L50-L66 PolarHBondContact O-N 3.27Å; L50-Q67 HydrophobicContact CD2-CG 3.86Å
51L92.8Very high88.6Confident11 Ų1153.2 Ų53.26%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-120.4143.7-170.9-58177.1000110.1L63 K64 T65 V75 V76 F231L51-L63 HydrophobicContact CB-CB 4.4Å; L51-L63 HydrophobicContact CB-CD1 4.22Å; L51-L63 HydrophobicContact CD1-CD1 3.6Å; L51-L63 HydrophobicContact CG-CD1 4.48Å; L51-K64 WeakPolarHBondContact CA-O 3.37Å; L51-T65 HydrophobicContact CD2-CG2 3.82Å; L51-V75 HydrophobicContact CD1-CG1 3.76Å; L51-V75 HydrophobicContact CD2-CG1 4.07Å; L51-V75 HydrophobicContact CG-CG1 4.27Å; L51-V76 HydrophobicContact CD1-CB 4.17Å; L51-F231 HydrophobicContact CB-CE1 4.18Å; L51-F231 HydrophobicContact CB-CZ 4Å; L51-F231 HydrophobicContact CD1-CE1 4.4Å
52Q92.7Very high88.4Confident38 Ų3853.3 Ų53.318%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-129146.3168.664.3170.4-17.800111.2S27 A54 L63 K64 L66S27-Q52 PolarHBondContact OG-OE1 3.1Å; Q52-A54 PolarHBondContact O-N 3.29Å; Q52-L63 WeakPolarHBondContact O-CA 3.46Å; Q52-K64 HydrophobicContact CG-CB 4.2Å; Q52-K64 PolarHBondContact N-O 3.49Å; Q52-K64 PolarHBondContact O-N 3.47Å; Q52-L66 HydrophobicContact CB-CD2 4.4Å; Q52-L66 VanDerWaalsContact CD-CD2 3.44Å; Q52-L66 HydrophobicContact CG-CD2 3.75Å; Q52-L66 HydrophobicContact CG-CG 4.26Å
53P94.1Very high88.3Confident4 Ų449.4 Ų49.43%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-60134.6168-2436.1000111.3L28 Y34 G62 L63 F231 L234L28-P53 HydrophobicContact CB-CB 4.05Å; L28-P53 PolarHBondContact N-O 3.19Å; Y34-P53 HydrophobicContact CD1-CB 3.72Å; Y34-P53 HydrophobicContact CD1-CG 3.64Å; Y34-P53 HydrophobicContact CD2-CB 4.47Å; Y34-P53 HydrophobicContact CE1-CB 3.78Å; Y34-P53 HydrophobicContact CE1-CG 4.08Å; Y34-P53 HydrophobicContact CG-CB 4.09Å; Y34-P53 HydrophobicContact CG-CG 4.16Å; P53-G62 CarbonylContact C-O 3.54Å; P53-G62 WeakPolarHBondContact CA-O 3.44Å; P53-L63 HydrophobicContact CG-CD2 4.31Å; P53-F231 HydrophobicContact CG-CE2 4.09Å; P53-L234 HydrophobicContact CB-CD1 4.48Å; P53-L234 HydrophobicContact CG-CD1 4.29Å
54A94.4Very high88.1Confident0 Ų046.4 Ų46.40%027%0.271CS..EExtended strand (participates in β ladder)trans-145.1155177.800000111.3V26 L28 Q52 F56 R61 G62 K64V26-A54 CarbonylContact O-C 3.6Å; V26-A54 WeakPolarHBondContact O-CA 3.38Å; V26-A54 WeakPolarHBondContact O-CB 3.47Å; L28-A54 VanDerWaalsContact CD1-C 3.49Å; Q52-A54 PolarHBondContact O-N 3.29Å; A54-F56 HydrophobicContact CB-CE2 3.96Å; A54-F56 HydrophobicContact CB-CZ 4.18Å; A54-R61 CarbonylContact O-C 3.25Å; A54-R61 WeakPolarHBondContact O-CA 3.46Å; A54-G62 PolarHBondContact N-O 3.33Å; A54-G62 PolarHBondContact O-N 2.89Å; A54-K64 HydrophobicContact CB-CB 3.81Å; A54-K64 HydrophobicContact CB-CD 4.44Å
55L91.7Very high88Confident83 Ų8346.7 Ų46.744%0.43528%0.28SS..EExtended strand (participates in β ladder)trans-98.8116.3168.9-176.369.7000108.7S25 V26 L28 R61S25-L55 CarbonylContact C-O 3.46Å; S25-L55 VanDerWaalsContact CA-O 3.22Å; S25-L55 WeakPolarHBondContact CA-O 3.3Å; V26-L55 PolarHBondContact N-O 2.98Å; V26-L55 PolarHBondContact O-N 3.07Å; L28-L55 HydrophobicContact CD1-CB 4.15Å; L28-L55 HydrophobicContact CD2-CB 4.06Å; L28-L55 HydrophobicContact CG-CB 4.21Å; L55-R61 HydrophobicContact CD1-CG 4.03Å
56F88.9Confident87.7Confident39 Ų3949.1 Ų49.117%0.17128%0.28CS..EExtended strand (participates in β ladder)trans-95.6143.8176.2-61.5-92.3000110.6V23 A54 D58 G60 L63 K64V23-F56 HydrophobicContact CG1-CB 4.16Å; V23-F56 HydrophobicContact CG1-CD1 3.88Å; A54-F56 HydrophobicContact CB-CE2 3.96Å; A54-F56 HydrophobicContact CB-CZ 4.18Å; F56-D58 WeakPolarHBondContact CB-OD1 3.36Å; F56-D58 PolarHBondContact O-N 2.76Å; F56-G60 WeakPolarHBondContact CD2-O 3.31Å; F56-G60 PolarHBondContact N-O 2.93Å; F56-G60 WeakPolarHBondContact O-CA 3.37Å; F56-G60 PolarHBondContact O-N 3.37Å; F56-G60 VanDerWaalsContact O-N 3.11Å; F56-L63 WeakPolarHBondContact CZ-O 3.39Å; F56-K64 HydrophobicContact CE1-CB 4.47Å; F56-K64 HydrophobicContact CZ-CB 3.78Å; F56-K64 HydrophobicContact CZ-CG 4.44Å
57S82.6Confident87.5Confident91 Ų9154.3 Ų54.364%0.63630%0.304SS*.THydrogen-bonded Turntrans-66-21.5-178.653.30000114.5R24R24-S57 PolarHBondContact N-OG 2.77Å; R24-S57 PolarHBondContact O-N 2.99Å; R24-S57 VanDerWaalsContact O-N 3.08Å
58D74.6Confident87.9Confident93 Ų9355.4 Ų55.450%0.49731%0.307SS..THydrogen-bonded Turntrans-107.9-41.1-173.556.6-15.4000113.4V23 F56V23-D58 WeakPolarHBondContact CG1-OD1 3.43Å; V23-D58 VanDerWaalsContact CG2-OD2 3.27Å; V23-D58 WeakPolarHBondContact CG2-OD2 3.45Å; F56-D58 WeakPolarHBondContact CB-OD1 3.36Å; F56-D58 PolarHBondContact O-N 2.76Å
59T79.9Confident88.7Confident42 Ų4256.6 Ų56.626%0.25831%0.312SS..THydrogen-bonded Turntrans-108.2-1.2-176.863.40000114.2N236T59-N236 WeakPolarHBondContact CB-ND2 3.47Å; T59-N236 PolarHBondContact OG1-ND2 2.91Å
60G85.8Confident89.7Confident27 Ų2756.7 Ų56.728%0.27831%0.306SS..EExtended strand (participates in β ladder)trans72.7-144-17500000112.7F56F56-G60 WeakPolarHBondContact CD2-O 3.31Å; F56-G60 PolarHBondContact N-O 2.93Å; F56-G60 WeakPolarHBondContact O-CA 3.37Å; F56-G60 PolarHBondContact O-N 3.37Å; F56-G60 VanDerWaalsContact O-N 3.11Å
61R90.1Very high89.9Confident76 Ų7661.2 Ų61.229%0.28734%0.337SS..EExtended strand (participates in β ladder)trans-63.9138.4-177.1-60.5-175.3-63.8173.6-0.8109.8L28 Y34 A54 L55 V133 N236L28-R61 HydrophobicContact CD1-CB 4.38Å; L28-R61 HydrophobicContact CD1-CG 4.01Å; Y34-R61 WeakPolarHBondContact OH-CD 3.41Å; A54-R61 CarbonylContact O-C 3.25Å; A54-R61 WeakPolarHBondContact O-CA 3.46Å; L55-R61 HydrophobicContact CD1-CG 4.03Å; R61-V133 PolarHBondContact NH1-O 3.32Å; R61-V133 PolarHBondContact NH2-O 2.93Å; R61-N236 PolarHBondContact O-ND2 3.08Å; R61-N236 PolarHBondContact O-OD1 3.31Å
62G92.6Very high89.9Confident1 Ų165 Ų651%0.0138%0.379CS..EExtended strand (participates in β ladder)trans-169.7-166.4175.300000113.4P53 A54 L234P53-G62 CarbonylContact C-O 3.54Å; P53-G62 WeakPolarHBondContact CA-O 3.44Å; A54-G62 PolarHBondContact N-O 3.33Å; A54-G62 PolarHBondContact O-N 2.89Å; G62-L234 CarbonylContact C-O 3.57Å; G62-L234 WeakPolarHBondContact CA-O 3.32Å
63L93.2Very high89.8Confident21 Ų2167.6 Ų67.611%0.1139%0.391CS..EExtended strand (participates in β ladder)trans-104.3136.4174.4-62-176.7000112.6L51 Q52 P53 F56 F231 L234 L235L51-L63 HydrophobicContact CB-CB 4.4Å; L51-L63 HydrophobicContact CB-CD1 4.22Å; L51-L63 HydrophobicContact CD1-CD1 3.6Å; L51-L63 HydrophobicContact CG-CD1 4.48Å; Q52-L63 WeakPolarHBondContact O-CA 3.46Å; P53-L63 HydrophobicContact CG-CD2 4.31Å; F56-L63 WeakPolarHBondContact CZ-O 3.39Å; L63-F231 HydrophobicContact CD1-CD1 4.19Å; L63-F231 HydrophobicContact CD1-CE1 3.92Å; L63-F231 HydrophobicContact CD1-CZ 4.33Å; L63-F231 HydrophobicContact CD2-CD2 4.38Å; L63-F231 HydrophobicContact CD2-CE1 4.35Å; L63-F231 HydrophobicContact CD2-CE2 3.98Å; L63-F231 HydrophobicContact CD2-CZ 3.97Å; L63-L234 HydrophobicContact CD1-CB 4.39Å; L63-L234 HydrophobicContact CD2-CB 3.81Å; L63-L234 HydrophobicContact CD2-CD1 3.94Å; L63-L234 HydrophobicContact CG-CB 3.73Å; L63-L234 PolarHBondContact N-O 3.14Å; L63-L235 HydrophobicContact CB-CD2 4.13Å; L63-L235 HydrophobicContact CD1-CD2 3.85Å; L63-L235 HydrophobicContact CD1-CG 4Å; L63-L235 HydrophobicContact CG-CD2 4.37Å
64K92.6Very high89.7Confident77 Ų7773.5 Ų73.534%0.33542%0.422SS..EExtended strand (participates in β ladder)trans-113.7135.6174.7-178.5179.4179.7174.30109.9S25 L51 Q52 A54 F56S25-K64 WeakPolarHBondContact OG-CD 3.3Å; S25-K64 WeakPolarHBondContact OG-CE 3.36Å; S25-K64 PolarHBondContact OG-NZ 3.4Å; L51-K64 WeakPolarHBondContact CA-O 3.37Å; Q52-K64 HydrophobicContact CG-CB 4.2Å; Q52-K64 PolarHBondContact N-O 3.49Å; Q52-K64 PolarHBondContact O-N 3.47Å; A54-K64 HydrophobicContact CB-CB 3.81Å; A54-K64 HydrophobicContact CB-CD 4.44Å; F56-K64 HydrophobicContact CE1-CB 4.47Å; F56-K64 HydrophobicContact CZ-CB 3.78Å; F56-K64 HydrophobicContact CZ-CG 4.44Å
65T92.9Very high89.5Confident67 Ų6775.9 Ų75.941%0.41144%0.436SS..EExtended strand (participates in β ladder)trans-73.9141.1173.772.10000110.8L50 L51 Q67 I69L50-T65 CarbonylContact O-C 3.53Å; L50-T65 WeakPolarHBondContact O-CA 3.41Å; L51-T65 HydrophobicContact CD2-CG2 3.82Å; T65-Q67 WeakPolarHBondContact CB-O 3.27Å; T65-Q67 PolarHBondContact OG1-O 3.2Å; T65-Q67 VanDerWaalsContact OG1-O 3.04Å; T65-I69 HydrophobicContact CG2-CD1 3.48Å; T65-I69 VanDerWaalsContact CG2-CD1 3.48Å; T65-I69 HydrophobicContact CG2-CG1 4.2Å
66L90.2Very high89.5Confident103 Ų10373.3 Ų73.354%0.53942%0.424SS..SBendtrans-89-17.7174.6-68.3-177.8000112.9T49 L50 Q52T49-L66 WeakPolarHBondContact O-CD1 3.22Å; L50-L66 PolarHBondContact O-N 3.27Å; Q52-L66 HydrophobicContact CB-CD2 4.4Å; Q52-L66 VanDerWaalsContact CD-CD2 3.44Å; Q52-L66 HydrophobicContact CG-CD2 3.75Å; Q52-L66 HydrophobicContact CG-CG 4.26Å
67Q91.1Very high89.7Confident111 Ų11175.3 Ų75.352%0.51944%0.442SS..SBendtrans-139.2173178.461.3-174.143.500110.9L50 T65L50-Q67 HydrophobicContact CD2-CG 3.86Å; T65-Q67 WeakPolarHBondContact CB-O 3.27Å; T65-Q67 PolarHBondContact OG1-O 3.2Å; T65-Q67 VanDerWaalsContact OG1-O 3.04Å
68T91.5Very high90.2Very high118 Ų11872.5 Ų72.572%0.72442%0.42SS*.  trans-72.2138.2172.6-62.40000109M70T68-M70 HydrophobicContact CG2-SD 4.41Å
69I90.3Very high91.1Very high45 Ų4569.9 Ų69.923%0.23141%0.408CS..  trans-118.2130.5179.3-56.9-176.1000108T65 E73 V75T65-I69 HydrophobicContact CG2-CD1 3.48Å; T65-I69 VanDerWaalsContact CG2-CD1 3.48Å; T65-I69 HydrophobicContact CG2-CG1 4.2Å; I69-E73 WeakPolarHBondContact CA-OE2 3.44Å; I69-E73 HydrophobicContact CG2-CB 3.97Å; I69-V75 HydrophobicContact CD1-CG1 4.27Å; I69-V75 HydrophobicContact CD1-CG2 4.09Å; I69-V75 HydrophobicContact CG2-CG2 3.93Å
70M93.3Very high91.8Very high111 Ų11173.6 Ų73.655%0.54742%0.423SS..  trans-91.8151.7178.3-59.9-59.8-68.500111.7T68 G72 E73T68-M70 HydrophobicContact CG2-SD 4.41Å; M70-G72 PolarHBondContact O-N 3.34Å; M70-E73 HydrophobicContact CB-CG 4.05Å; M70-E73 WeakPolarHBondContact CB-OE1 3.28Å; M70-E73 VanDerWaalsContact N-CD 3.35Å; M70-E73 PolarHBondContact N-OE2 2.91Å; M70-E73 WeakPolarHBondContact O-CB 3.17Å; M70-E73 PolarHBondContact O-N 3.2Å; M70-E73 VanDerWaalsContact O-N 3.08Å
71P93Very high92.2Very high128 Ų12875.6 Ų75.683%0.83143%0.432SS*.THydrogen-bonded Turntrans-54.9129.6173.9-24.834.7000111.5
72G92Very high92.5Very high91 Ų9172 Ų7294%0.93842%0.418SS*.THydrogen-bonded Turntrans92.5-8.3-177.900000114.9M70M70-G72 PolarHBondContact O-N 3.34Å
73E92.2Very high92.7Very high92 Ų9272.6 Ų72.643%0.4342%0.421SS..  trans-74.2143.6174.9-71.1-180175.100112.3I69 M70 V75I69-E73 WeakPolarHBondContact CA-OE2 3.44Å; I69-E73 HydrophobicContact CG2-CB 3.97Å; M70-E73 HydrophobicContact CB-CG 4.05Å; M70-E73 WeakPolarHBondContact CB-OE1 3.28Å; M70-E73 VanDerWaalsContact N-CD 3.35Å; M70-E73 PolarHBondContact N-OE2 2.91Å; M70-E73 WeakPolarHBondContact O-CB 3.17Å; M70-E73 PolarHBondContact O-N 3.2Å; M70-E73 VanDerWaalsContact O-N 3.08Å; E73-V75 PolarHBondContact O-N 3.28Å
74L90.6Very high92.9Very high128 Ų12871.6 Ų71.667%0.6742%0.416SS*.  trans-71110.6174.2178.563.6000110V76L74-V76 WeakPolarHBondContact CD1-O 3.36Å
75V91Very high93.1Very high50 Ų5068 Ų6830%0.30340%0.401SS..  trans-80.6-42.1-178.6174.20000112.2L51 I69 E73L51-V75 HydrophobicContact CD1-CG1 3.76Å; L51-V75 HydrophobicContact CD2-CG1 4.07Å; L51-V75 HydrophobicContact CG-CG1 4.27Å; I69-V75 HydrophobicContact CD1-CG1 4.27Å; I69-V75 HydrophobicContact CD1-CG2 4.09Å; I69-V75 HydrophobicContact CG2-CG2 3.93Å; E73-V75 PolarHBondContact O-N 3.28Å
76V91.1Very high93.3Very high29 Ų2964.9 Ų64.918%0.17638%0.382CS..  trans-154.1136.6-176.960.80000109.3F46 L51 L74 L232F46-V76 HydrophobicContact CE2-CG2 3.87Å; F46-V76 HydrophobicContact CZ-CG2 4.02Å; L51-V76 HydrophobicContact CD1-CB 4.17Å; L74-V76 WeakPolarHBondContact CD1-O 3.36Å; V76-L232 HydrophobicContact CG1-CD1 3.44Å; V76-L232 VanDerWaalsContact CG1-CD1 3.44Å; V76-L232 HydrophobicContact CG2-CD1 4.4Å
77S92.6Very high93.5Very high80 Ų8062.7 Ų62.756%0.55938%0.375SS*.  trans-128.4115.3169.8178.80000107.5F46F46-S77 VanDerWaalsContact CD2-O 3.26Å; F46-S77 WeakPolarHBondContact CD2-O 3.32Å; F46-S77 VanDerWaalsContact CE2-O 3.27Å; F46-S77 WeakPolarHBondContact CE2-O 3.32Å
78L93.5Very high93.7Very high32 Ų3259.2 Ų59.217%0.16836%0.362CS..  trans-110116.4-176.2-171.365.8000108.7L41 F46 C82 L83 A229 P230 L232L41-L78 HydrophobicContact CD2-CD1 4.1Å; F46-L78 HydrophobicContact CB-CD1 4.41Å; F46-L78 HydrophobicContact CD2-CD1 3.59Å; F46-L78 HydrophobicContact CE2-CD1 3.89Å; F46-L78 HydrophobicContact CG-CD1 4Å; L78-C82 HydrophobicContact CD1-CB 3.58Å; L78-C82 HydrophobicContact CD2-CB 4.42Å; L78-C82 HydrophobicContact CG-CB 3.83Å; L78-L83 HydrophobicContact CD2-CD2 3.57Å; L78-L83 HydrophobicContact CG-CD2 4.19Å; L78-A229 HydrophobicContact CD2-CB 3.87Å; L78-P230 WeakPolarHBondContact CD2-O 3.29Å; L78-L232 HydrophobicContact CD2-CB 3.97Å
79P94.6Very high94Very high38 Ų3853.6 Ų53.625%0.24733%0.327CS..  trans-59149.2176.8-26.435.2000112.7S81 C82P79-S81 WeakPolarHBondContact CB-OG 3.4Å; P79-S81 PolarHBondContact O-N 3.08Å; P79-C82 VanDerWaalsContact O-CB 3.28Å; P79-C82 WeakPolarHBondContact O-CB 3.27Å; P79-C82 PolarHBondContact O-N 2.98Å
80E93.4Very high94.4Very high121 Ų12152.3 Ų52.357%0.56532%0.32SS*.G310 helixtrans-61.2-30.6177.3-172.7171.9-175.800112.3C82 L83 M212E80-C82 PolarHBondContact O-N 3.17Å; E80-C82 VanDerWaalsContact O-N 3.14Å; E80-L83 HydrophobicContact CG-CD1 4.38Å; E80-L83 WeakPolarHBondContact O-CB 3.29Å; E80-L83 PolarHBondContact O-N 2.88Å; E80-M212 HydrophobicContact CG-CE 4.5Å
81S94.9Very high94.5Very high68 Ų6851.9 Ų51.948%0.47633%0.329SS..G310 helixtrans-58.3-22.317245.50000113.9R44 P79R44-S81 VanDerWaalsContact CD-O 3.32Å; R44-S81 WeakPolarHBondContact CD-O 3.49Å; R44-S81 PolarHBondContact O-OG 3.28Å; P79-S81 WeakPolarHBondContact CB-OG 3.4Å; P79-S81 PolarHBondContact O-N 3.08Å
82C96.3Very high94.8Very high0 Ų047.2 Ų47.20%030%0.299CS..G310 helixtrans-84-14.5174.9-61.80000113.1L41 R44 L78 P79 E80 P230L41-C82 HydrophobicContact CD2-CB 3.69Å; R44-C82 VanDerWaalsContact CB-SG 3.51Å; L78-C82 HydrophobicContact CD1-CB 3.58Å; L78-C82 HydrophobicContact CD2-CB 4.42Å; L78-C82 HydrophobicContact CG-CB 3.83Å; P79-C82 VanDerWaalsContact O-CB 3.28Å; P79-C82 WeakPolarHBondContact O-CB 3.27Å; P79-C82 PolarHBondContact O-N 2.98Å; E80-C82 PolarHBondContact O-N 3.17Å; E80-C82 VanDerWaalsContact O-N 3.14Å; C82-P230 WeakPolarHBondContact O-CD 3.27Å; C82-P230 WeakPolarHBondContact O-CG 3.48Å
83L96.6Very high95Very high14 Ų1446.4 Ų46.47%0.07327%0.268CS..  trans-86138-173.6-54.9-177.8000111.6L78 E80 T85 T88 W127 M212 A227 L228 A229L78-L83 HydrophobicContact CD2-CD2 3.57Å; L78-L83 HydrophobicContact CG-CD2 4.19Å; E80-L83 HydrophobicContact CG-CD1 4.38Å; E80-L83 WeakPolarHBondContact O-CB 3.29Å; E80-L83 PolarHBondContact O-N 2.88Å; L83-T85 HydrophobicContact CB-CG2 3.74Å; L83-T88 PolarHBondContact O-OG1 3.11Å; L83-W127 WeakPolarHBondContact O-CH2 3.4Å; L83-M212 HydrophobicContact CD1-CE 4.07Å; L83-M212 HydrophobicContact CD1-SD 3.87Å; L83-A227 HydrophobicContact CD1-CB 4.37Å; L83-L228 WeakPolarHBondContact CA-O 3.46Å; L83-A229 HydrophobicContact CD2-CB 3.57Å
84L97.7Very high95.3Very high0 Ų042 Ų420%025%0.248CC..EExtended strand (participates in β ladder)trans-92.2106.8167.1-168.6169000107.5V89 L111 F114 L115 W127 Y130 L228L84-V89 HydrophobicContact CD2-CG2 4.41Å; L84-L111 HydrophobicContact CD2-CD2 3.38Å; L84-F114 HydrophobicContact CD1-CD1 4.01Å; L84-F114 HydrophobicContact CD1-CE1 3.8Å; L84-F114 HydrophobicContact CD2-CD1 4.09Å; L84-F114 HydrophobicContact CD2-CE1 4.37Å; L84-F114 HydrophobicContact CG-CD1 4.27Å; L84-F114 HydrophobicContact CG-CE1 4.07Å; L84-L115 HydrophobicContact CD1-CD2 3.85Å; L84-W127 HydrophobicContact CB-CD2 4.46Å; L84-W127 HydrophobicContact CB-CE3 3.96Å; L84-W127 HydrophobicContact CB-CH2 3.69Å; L84-W127 HydrophobicContact CB-CZ2 4.21Å; L84-W127 HydrophobicContact CB-CZ3 3.54Å; L84-W127 HydrophobicContact CD1-CD2 3.88Å; L84-W127 HydrophobicContact CD1-CE3 3.81Å; L84-W127 HydrophobicContact CD1-CG 4.3Å; L84-W127 HydrophobicContact CD1-CZ3 4.28Å; L84-W127 HydrophobicContact CG-CD2 4.29Å; L84-W127 HydrophobicContact CG-CE3 4.22Å; L84-W127 HydrophobicContact CG-CH2 4.34Å; L84-W127 HydrophobicContact CG-CZ2 4.4Å; L84-W127 HydrophobicContact CG-CZ3 4.25Å; L84-Y130 HydrophobicContact CD1-CD1 4.48Å; L84-Y130 HydrophobicContact CD1-CE1 4.5Å; L84-L228 HydrophobicContact CB-CB 4.03Å; L84-L228 HydrophobicContact CD1-CD1 4.5Å; L84-L228 HydrophobicContact CD2-CD1 4.33Å; L84-L228 PolarHBondContact N-O 3.37Å; L84-L228 PolarHBondContact O-N 3.47Å
85T96.6Very high95.6Very high3 Ų336 Ų362%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-124.4171.2-17772.30000110.6L83 S87 T88 V89 M212 R214 A227L83-T85 HydrophobicContact CB-CG2 3.74Å; T85-S87 PolarHBondContact O-N 3.14Å; T85-S87 WeakPolarHBondContact OG1-CB 3.42Å; T85-S87 PolarHBondContact OG1-N 3.24Å; T85-T88 PolarHBondContact N-OG1 3.39Å; T85-T88 WeakPolarHBondContact O-CA 3.3Å; T85-T88 WeakPolarHBondContact O-CB 3.4Å; T85-T88 PolarHBondContact O-N 3.04Å; T85-T88 PolarHBondContact O-OG1 2.97Å; T85-T88 PolarHBondContact OG1-N 2.79Å; T85-T88 PolarHBondContact OG1-OG1 3.2Å; T85-V89 WeakPolarHBondContact O-CG2 3.43Å; T85-V89 PolarHBondContact O-N 2.72Å; T85-M212 HydrophobicContact CG2-CE 4.35Å; T85-R214 PolarHBondContact OG1-NH1 3.13Å; T85-A227 HydrophobicContact CG2-CB 3.89Å
86T96.3Very high95.9Very high0 Ų039.6 Ų39.60%023%0.229CC..Hα-helixtrans-59.8-28.3171.252.40000113.1T88 V89 L90 P107 L111 R214 L220 D224T86-T88 VanDerWaalsContact C-N 3.31Å; T86-V89 PolarHBondContact O-N 3.24Å; T86-L90 WeakPolarHBondContact O-CB 3.21Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.44Å; T86-L90 PolarHBondContact O-N 2.79Å; T86-P107 HydrophobicContact CG2-CB 3.83Å; T86-L111 HydrophobicContact CG2-CD1 4.35Å; T86-L111 HydrophobicContact CG2-CG 4.15Å; T86-R214 VanDerWaalsContact OG1-CZ 3.29Å; T86-R214 PolarHBondContact OG1-NH1 2.97Å; T86-R214 PolarHBondContact OG1-NH2 3.41Å; T86-L220 HydrophobicContact CG2-CD1 3.62Å; T86-D224 WeakPolarHBondContact CB-OD2 3.32Å; T86-D224 WeakPolarHBondContact CG2-OD1 3.33Å; T86-D224 PolarHBondContact OG1-OD1 3.5Å; T86-D224 PolarHBondContact OG1-OD2 3.2Å
87S95.4Very high96.3Very high57 Ų5741.2 Ų41.240%0.39923%0.233SC..Hα-helixtrans-64.8-40.5174.2-55.60000110.5T85 S91 R214T85-S87 PolarHBondContact O-N 3.14Å; T85-S87 WeakPolarHBondContact OG1-CB 3.42Å; T85-S87 PolarHBondContact OG1-N 3.24Å; S87-S91 WeakPolarHBondContact O-CB 3.14Å; S87-S91 PolarHBondContact O-N 3.37Å; S87-S91 VanDerWaalsContact O-N 3.08Å; S87-S91 PolarHBondContact O-OG 2.88Å; S87-R214 PolarHBondContact OG-NH1 3.32Å
88T95.9Very high96.5Very high39 Ų3937.5 Ų37.524%0.23921%0.207CC..Hα-helixtrans-58.9-48171.9-45.80000110.5L83 T85 T86 S91 S92 W127L83-T88 PolarHBondContact O-OG1 3.11Å; T85-T88 PolarHBondContact N-OG1 3.39Å; T85-T88 WeakPolarHBondContact O-CA 3.3Å; T85-T88 WeakPolarHBondContact O-CB 3.4Å; T85-T88 PolarHBondContact O-N 3.04Å; T85-T88 PolarHBondContact O-OG1 2.97Å; T85-T88 PolarHBondContact OG1-N 2.79Å; T85-T88 PolarHBondContact OG1-OG1 3.2Å; T86-T88 VanDerWaalsContact C-N 3.31Å; T88-S91 PolarHBondContact O-N 3.07Å; T88-S92 PolarHBondContact O-N 2.82Å; T88-W127 HydrophobicContact CG2-CH2 4.47Å; T88-W127 HydrophobicContact CG2-CZ2 3.44Å; T88-W127 VanDerWaalsContact CG2-CZ2 3.44Å
89V97.7Very high96.7Very high0 Ų038.7 Ų38.70%021%0.21CC..Hα-helixtrans-63.6-47.5-179.9179.70000111.7L84 T85 T86 S91 S92 I98 A110 L111 F114L84-V89 HydrophobicContact CD2-CG2 4.41Å; T85-V89 WeakPolarHBondContact O-CG2 3.43Å; T85-V89 PolarHBondContact O-N 2.72Å; T86-V89 PolarHBondContact O-N 3.24Å; V89-S91 PolarHBondContact O-N 3.42Å; V89-S92 WeakPolarHBondContact O-CB 3.42Å; V89-S92 PolarHBondContact O-N 2.88Å; V89-S92 PolarHBondContact O-OG 3.41Å; V89-I98 HydrophobicContact CG1-CD1 3.53Å; V89-A110 HydrophobicContact CG1-CB 4.43Å; V89-L111 HydrophobicContact CG2-CD2 3.95Å; V89-F114 HydrophobicContact CB-CB 4.4Å; V89-F114 HydrophobicContact CB-CD2 4.36Å; V89-F114 HydrophobicContact CB-CG 4.38Å; V89-F114 HydrophobicContact CG1-CB 3.91Å; V89-F114 HydrophobicContact CG1-CD2 4.09Å; V89-F114 HydrophobicContact CG1-CG 4.22Å; V89-F114 HydrophobicContact CG2-CB 3.65Å; V89-F114 HydrophobicContact CG2-CD1 4Å; V89-F114 HydrophobicContact CG2-CD2 4.07Å; V89-F114 HydrophobicContact CG2-CG 3.64Å
90L97.1Very high96.8Very high17 Ų1741.1 Ų41.19%0.08923%0.228CC..Hα-helixtrans-68.4-20.2-178.6-68.9172000113.4T86 G95 I98 K99 S217 F219 L220T86-L90 WeakPolarHBondContact O-CB 3.21Å; T86-L90 VanDerWaalsContact O-CG 3.23Å; T86-L90 WeakPolarHBondContact O-CG 3.44Å; T86-L90 PolarHBondContact O-N 2.79Å; L90-G95 WeakPolarHBondContact O-CA 3.22Å; L90-I98 HydrophobicContact CD2-CB 4.18Å; L90-I98 HydrophobicContact CD2-CG2 3.62Å; L90-K99 HydrophobicContact CD2-CG 4.2Å; L90-K99 WeakPolarHBondContact O-CE 3.49Å; L90-K99 PolarHBondContact O-NZ 3.37Å; L90-S217 WeakPolarHBondContact CD1-OG 3.36Å; L90-F219 HydrophobicContact CD1-CD2 4.48Å; L90-F219 HydrophobicContact CD2-CB 4.21Å; L90-L220 HydrophobicContact CD1-CD1 4.15Å; L90-L220 HydrophobicContact CD1-CG 4.41Å
91S96.9Very high97Very high103 Ų10337.2 Ų37.272%0.7221%0.208SC*.THydrogen-bonded Turntrans-93.1-3.8174.6-51.30000112.9S87 T88 V89S87-S91 WeakPolarHBondContact O-CB 3.14Å; S87-S91 PolarHBondContact O-N 3.37Å; S87-S91 VanDerWaalsContact O-N 3.08Å; S87-S91 PolarHBondContact O-OG 2.88Å; T88-S91 PolarHBondContact O-N 3.07Å; V89-S91 PolarHBondContact O-N 3.42Å
92S97.8Very high97Very high29 Ų2940.2 Ų40.220%0.20321%0.213CC..SBendtrans-86.1-179.8179.279.70000112.4T88 V89 L94 G95T88-S92 PolarHBondContact O-N 2.82Å; V89-S92 WeakPolarHBondContact O-CB 3.42Å; V89-S92 PolarHBondContact O-N 2.88Å; V89-S92 PolarHBondContact O-OG 3.41Å; S92-L94 PolarHBondContact O-N 2.9Å; S92-L94 VanDerWaalsContact O-N 3.17Å; S92-L94 PolarHBondContact OG-N 3.08Å; S92-G95 PolarHBondContact O-N 2.98Å
93Y97.3Very high96.9Very high74 Ų7445 Ų4529%0.2924%0.244SC..THydrogen-bonded Turntrans-59.8-21.6173.172.1-87000113.9G95 C117 E118 V184Y93-G95 VanDerWaalsContact C-N 3.32Å; Y93-C117 VanDerWaalsContact OH-CB 3.26Å; Y93-C117 WeakPolarHBondContact OH-CB 3.18Å; Y93-E118 WeakPolarHBondContact CE1-OE1 3.42Å; Y93-V184 HydrophobicContact CD2-CB 3.92Å; Y93-V184 HydrophobicContact CD2-CG1 4.22Å; Y93-V184 HydrophobicContact CD2-CG2 4.08Å; Y93-V184 HydrophobicContact CE2-CB 4Å; Y93-V184 HydrophobicContact CE2-CG2 3.9Å
94L98Very high96.9Very high1 Ų150.2 Ų50.21%0.00526%0.263CS..THydrogen-bonded Turntrans-80.6-13.4172.8-66-178000113.1S92 E96 Y97 I98 V113 F114 C117 L181 V184S92-L94 PolarHBondContact O-N 2.9Å; S92-L94 VanDerWaalsContact O-N 3.17Å; S92-L94 PolarHBondContact OG-N 3.08Å; L94-E96 PolarHBondContact O-N 2.94Å; L94-Y97 PolarHBondContact O-N 2.89Å; L94-I98 HydrophobicContact CB-CD1 4.12Å; L94-I98 WeakPolarHBondContact O-CG1 3.4Å; L94-I98 PolarHBondContact O-N 3.02Å; L94-I98 VanDerWaalsContact O-N 3.07Å; L94-V113 HydrophobicContact CD1-CG1 4.28Å; L94-F114 HydrophobicContact CD1-CB 4.31Å; L94-F114 HydrophobicContact CD1-CD2 4.02Å; L94-C117 HydrophobicContact CD1-CB 4.29Å; L94-L181 HydrophobicContact CD2-CD1 4.26Å; L94-L181 HydrophobicContact CD2-CD2 3.9Å; L94-V184 HydrophobicContact CD2-CG2 3.92Å
95G97.9Very high96.9Very high0 Ų050.5 Ų50.50%026%0.264CS..Hα-helixtrans-58.2-46.6-172.500000113.4L90 S92 Y93 Y97 I98 K99L90-G95 WeakPolarHBondContact O-CA 3.22Å; S92-G95 PolarHBondContact O-N 2.98Å; Y93-G95 VanDerWaalsContact C-N 3.32Å; G95-Y97 PolarHBondContact O-N 2.98Å; G95-I98 PolarHBondContact O-N 3.02Å; G95-K99 WeakPolarHBondContact O-CB 3.4Å; G95-K99 WeakPolarHBondContact O-CG 3.44Å; G95-K99 PolarHBondContact O-N 2.93Å
96E97.4Very high96.8Very high126 Ų12652.1 Ų52.159%0.58928%0.276SS*.Hα-helixtrans-65.2-38.1-177.9-64.8-53.4116.200112.6L94 K99 S100L94-E96 PolarHBondContact O-N 2.94Å; E96-K99 IonicContact OE1-NZ 3.69Å; E96-K99 PolarHBondContact OE1-NZ 2.86Å; E96-S100 VanDerWaalsContact O-CB 3.29Å; E96-S100 WeakPolarHBondContact O-CB 3.32Å; E96-S100 PolarHBondContact O-N 3.47Å; E96-S100 PolarHBondContact O-OG 3.03Å
97Y98.3Very high96.8Very high64 Ų6452.4 Ų52.425%0.25128%0.278SS..Hα-helixtrans-63.8-46173.9-63.9-89.1000111.3L94 G95 S100 W101 T180 L181 V184L94-Y97 PolarHBondContact O-N 2.89Å; G95-Y97 PolarHBondContact O-N 2.98Å; Y97-S100 PolarHBondContact O-OG 3.35Å; Y97-W101 VanDerWaalsContact O-CB 3.27Å; Y97-W101 WeakPolarHBondContact O-CB 3.4Å; Y97-W101 PolarHBondContact O-N 3.02Å; Y97-T180 WeakPolarHBondContact CD1-O 3.49Å; Y97-T180 WeakPolarHBondContact CE1-O 3.46Å; Y97-L181 VanDerWaalsContact CB-CD2 3.48Å; Y97-L181 HydrophobicContact CD1-CD2 3.95Å; Y97-L181 HydrophobicContact CD2-CD2 4.19Å; Y97-L181 HydrophobicContact CG-CD2 3.61Å; Y97-V184 HydrophobicContact CE2-CG1 3.65Å; Y97-V184 HydrophobicContact CE2-CG2 4.39Å
98I97.9Very high96.9Very high2 Ų250.7 Ų50.71%0.0126%0.264CS..Hα-helixtrans-66.9-42-179.5-65.7167.4000111.4V89 L90 L94 G95 L105 A110 F177 L220V89-I98 HydrophobicContact CG1-CD1 3.53Å; L90-I98 HydrophobicContact CD2-CB 4.18Å; L90-I98 HydrophobicContact CD2-CG2 3.62Å; L94-I98 HydrophobicContact CB-CD1 4.12Å; L94-I98 WeakPolarHBondContact O-CG1 3.4Å; L94-I98 PolarHBondContact O-N 3.02Å; L94-I98 VanDerWaalsContact O-N 3.07Å; G95-I98 PolarHBondContact O-N 3.02Å; I98-L105 HydrophobicContact CG1-CD1 4.09Å; I98-L105 HydrophobicContact CG2-CD1 4.23Å; I98-A110 HydrophobicContact CD1-CB 4.36Å; I98-F177 HydrophobicContact CG1-CE2 4.26Å; I98-F177 HydrophobicContact CG1-CZ 3.71Å; I98-L220 HydrophobicContact CG2-CD2 3.93Å
99K97.6Very high96.9Very high56 Ų5649.3 Ų49.324%0.24326%0.256CS..Hα-helixtrans-67.2-39-178.7-69.4169.3-162161.90112.2L90 G95 E96 F219L90-K99 HydrophobicContact CD2-CG 4.2Å; L90-K99 WeakPolarHBondContact O-CE 3.49Å; L90-K99 PolarHBondContact O-NZ 3.37Å; G95-K99 WeakPolarHBondContact O-CB 3.4Å; G95-K99 WeakPolarHBondContact O-CG 3.44Å; G95-K99 PolarHBondContact O-N 2.93Å; E96-K99 IonicContact OE1-NZ 3.69Å; E96-K99 PolarHBondContact OE1-NZ 2.86Å; K99-F219 HydrophobicContact CB-CD1 3.62Å; K99-F219 HydrophobicContact CB-CE1 3.83Å; K99-F219 HydrophobicContact CB-CG 4.18Å; K99-F219 HydrophobicContact CD-CE1 4.3Å; K99-F219 HydrophobicContact CD-CE2 4.34Å; K99-F219 HydrophobicContact CD-CZ 4.2Å; K99-F219 HydrophobicContact CG-CB 4.28Å; K99-F219 HydrophobicContact CG-CD1 3.61Å; K99-F219 HydrophobicContact CG-CD2 3.99Å; K99-F219 HydrophobicContact CG-CE1 3.84Å; K99-F219 HydrophobicContact CG-CE2 4.19Å; K99-F219 HydrophobicContact CG-CG 3.69Å; K99-F219 HydrophobicContact CG-CZ 4.12Å
100S96.8Very high96.9Very high89 Ų8949.3 Ų49.362%0.62226%0.256SS*.Hα-helixtrans-78.7-25.7-179.159.20000113.1E96 Y97E96-S100 VanDerWaalsContact O-CB 3.29Å; E96-S100 WeakPolarHBondContact O-CB 3.32Å; E96-S100 PolarHBondContact O-N 3.47Å; E96-S100 PolarHBondContact O-OG 3.03Å; Y97-S100 PolarHBondContact O-OG 3.35Å
101W97.3Very high97Very high39 Ų3948.5 Ų48.515%0.14825%0.252CS..  trans-64.4140.2-178.3-175.5-108.9000113.7Y97 P103 E176 F177 T180Y97-W101 VanDerWaalsContact O-CB 3.27Å; Y97-W101 WeakPolarHBondContact O-CB 3.4Å; Y97-W101 PolarHBondContact O-N 3.02Å; W101-P103 PolarHBondContact NE1-O 3.24Å; W101-P103 VanDerWaalsContact NE1-O 3.15Å; W101-E176 HydrophobicContact CH2-CB 3.74Å; W101-E176 HydrophobicContact CH2-CG 3.65Å; W101-E176 HydrophobicContact CZ2-CB 4.17Å; W101-E176 HydrophobicContact CZ3-CG 4.46Å; W101-F177 HydrophobicContact CB-CD2 3.83Å; W101-F177 HydrophobicContact CB-CE2 4.09Å; W101-F177 AromaticContact CD1-CD2 3.77Å; W101-F177 HydrophobicContact CD2-CB 3.89Å; W101-F177 AromaticContact CD2-CD2 3.6Å; W101-F177 HydrophobicContact CD2-CD2 3.6Å; W101-F177 HydrophobicContact CD2-CG 4.18Å; W101-F177 HydrophobicContact CE3-CB 4.4Å; W101-F177 HydrophobicContact CE3-CD2 4.05Å; W101-F177 HydrophobicContact CG-CB 4.34Å; W101-F177 AromaticContact CG-CD2 3.45Å; W101-F177 HydrophobicContact CG-CD2 3.45Å; W101-F177 VanDerWaalsContact CG-CD2 3.45Å; W101-F177 HydrophobicContact CG-CE2 4.18Å; W101-F177 HydrophobicContact CG-CG 4.19Å; W101-F177 HydrophobicContact CH2-CB 4.33Å; W101-F177 HydrophobicContact CZ2-CB 3.78Å; W101-T180 HydrophobicContact CE3-CG2 3.92Å; W101-T180 HydrophobicContact CZ3-CG2 3.67Å
102K95.3Very high97.1Very high131 Ų13143.6 Ų43.657%0.5722%0.217SC*.SBendtrans-135.4129.1170.7-59.5-63.8168.2-144.30108.6
103P94.3Very high97.1Very high102 Ų10242.3 Ų42.366%0.66221%0.208SC*.SBendcis-72.9157.95.630.7-36.6000114.4W101 L105W101-P103 PolarHBondContact NE1-O 3.24Å; W101-P103 VanDerWaalsContact NE1-O 3.15Å; P103-L105 PolarHBondContact O-N 2.9Å
104R95.8Very high97.2Very high123 Ų12339 Ų3946%0.46420%0.195SC..PPolyproline II helixtrans-65.5132.3-179.1-70.5-171.6-66.7-138.1-2.3112C218 F219 L220 S221R104-C218 VanDerWaalsContact CD-O 3.24Å; R104-C218 WeakPolarHBondContact CD-O 3.45Å; R104-C218 PolarHBondContact NH1-O 2.89Å; R104-F219 VanDerWaalsContact CD-C 3.44Å; R104-F219 WeakPolarHBondContact CD-O 3.44Å; R104-F219 WeakPolarHBondContact CG-O 3.4Å; R104-L220 PolarHBondContact NE-O 2.87Å; R104-S221 PolarHBondContact O-OG 2.98Å
105L96.6Very high97.2Very high5 Ų539 Ų393%0.02620%0.195CC..PPolyproline II helixtrans-66.4152.2174.1-58.5-179.4000112.1I98 P103 N174 F177 L220 S221I98-L105 HydrophobicContact CG1-CD1 4.09Å; I98-L105 HydrophobicContact CG2-CD1 4.23Å; P103-L105 PolarHBondContact O-N 2.9Å; L105-N174 WeakPolarHBondContact CD2-OD1 3.41Å; L105-F177 HydrophobicContact CD1-CD1 3.78Å; L105-F177 HydrophobicContact CD1-CD2 4.41Å; L105-F177 HydrophobicContact CD1-CE1 3.39Å; L105-F177 HydrophobicContact CD1-CE2 4.06Å; L105-F177 HydrophobicContact CD1-CG 4.29Å; L105-F177 HydrophobicContact CD1-CZ 3.55Å; L105-F177 HydrophobicContact CD2-CD1 3.99Å; L105-F177 HydrophobicContact CD2-CE1 4.45Å; L105-F177 HydrophobicContact CD2-CG 4.14Å; L105-F177 HydrophobicContact CG-CD1 4.47Å; L105-F177 HydrophobicContact CG-CE1 4.49Å; L105-L220 HydrophobicContact CB-CD2 4.32Å; L105-L220 CarbonylContact O-C 3.54Å; L105-L220 VanDerWaalsContact O-CA 3.3Å; L105-L220 WeakPolarHBondContact O-CA 3.35Å; L105-L220 WeakPolarHBondContact O-CD2 3.41Å; L105-S221 VanDerWaalsContact C-OG 3.27Å; L105-S221 PolarHBondContact O-N 3.45Å; L105-S221 PolarHBondContact O-OG 3.29Å
106S95.9Very high97.2Very high38 Ų3839.2 Ų39.227%0.26620%0.197SC..PPolyproline II helixtrans-71.5152.216779.90000110.9L108 S109 A110 S221S106-L108 PolarHBondContact O-N 3.08Å; S106-S109 PolarHBondContact O-N 3.23Å; S106-S109 VanDerWaalsContact O-N 3.14Å; S106-S109 WeakPolarHBondContact OG-CB 3.41Å; S106-S109 PolarHBondContact OG-N 3.01Å; S106-S109 PolarHBondContact OG-OG 3.44Å; S106-A110 PolarHBondContact O-N 3.25Å; S106-S221 PolarHBondContact N-OG 3.34Å
107P95.9Very high97.3Very high5 Ų533.3 Ų33.33%0.03217%0.169CC..Hα-helixtrans-49.9-41.5170.8-33.738.7000113.9T86 A110 L111 L220 S221 D224 Y226T86-P107 HydrophobicContact CG2-CB 3.83Å; P107-A110 PolarHBondContact O-N 3.47Å; P107-L111 WeakPolarHBondContact O-CG 3.27Å; P107-L111 PolarHBondContact O-N 3.05Å; P107-L220 HydrophobicContact CB-CD1 4.47Å; P107-L220 HydrophobicContact CG-CB 4.21Å; P107-L220 HydrophobicContact CG-CD1 4.21Å; P107-S221 WeakPolarHBondContact CD-O 3.44Å; P107-D224 HydrophobicContact CG-CB 4.04Å; P107-Y226 HydrophobicContact CB-CD2 4.38Å
108L96.6Very high97.3Very high21 Ų2130.7 Ų30.711%0.1116%0.16CC..Hα-helixtrans-65-45.9178.7-17960.6000111.4S106 A110 L111 C112 M170 V205 Y226S106-L108 PolarHBondContact O-N 3.08Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.44Å; L108-L111 PolarHBondContact O-N 3.39Å; L108-C112 WeakPolarHBondContact O-CB 3.39Å; L108-C112 PolarHBondContact O-N 3.08Å; L108-C112 PolarHBondContact O-SG 2.89Å; L108-M170 HydrophobicContact CB-CE 4.38Å; L108-M170 HydrophobicContact CD2-CE 3.76Å; L108-M170 HydrophobicContact CG-CE 3.69Å; L108-V205 HydrophobicContact CD1-CB 3.71Å; L108-V205 HydrophobicContact CD1-CG1 3.37Å; L108-V205 HydrophobicContact CD1-CG2 4.36Å; L108-Y226 HydrophobicContact CB-CE2 4.16Å
109S97.4Very high97.2Very high10 Ų1034.4 Ų34.47%0.0717%0.173CC..Hα-helixtrans-59.9-43.9176.5-57.10000111.8S106 C112 V113S106-S109 PolarHBondContact O-N 3.23Å; S106-S109 VanDerWaalsContact O-N 3.14Å; S106-S109 WeakPolarHBondContact OG-CB 3.41Å; S106-S109 PolarHBondContact OG-N 3.01Å; S106-S109 PolarHBondContact OG-OG 3.44Å; S109-C112 PolarHBondContact O-N 3.29Å; S109-V113 VanDerWaalsContact O-CG2 3.32Å; S109-V113 WeakPolarHBondContact O-CG2 3.49Å; S109-V113 PolarHBondContact O-N 3.26Å
110A97.9Very high97.1Very high0 Ų035.4 Ų35.40%018%0.179CC..Hα-helixtrans-62-44.4178.900000112.1V89 I98 S106 P107 L108 F114 L220V89-A110 HydrophobicContact CG1-CB 4.43Å; I98-A110 HydrophobicContact CD1-CB 4.36Å; S106-A110 PolarHBondContact O-N 3.25Å; P107-A110 PolarHBondContact O-N 3.47Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 3.44Å; A110-F114 WeakPolarHBondContact O-CB 3.31Å; A110-F114 PolarHBondContact O-N 3.4Å; A110-F114 VanDerWaalsContact O-N 3.08Å; A110-L220 HydrophobicContact CB-CD2 4.01Å
111L98.3Very high97.1Very high0 Ų036.5 Ų36.50%017%0.169CC..Hα-helixtrans-64-43.6175.3-73168.3000112.1L84 T86 V89 P107 L108 F114 L115 V205 Y226L84-L111 HydrophobicContact CD2-CD2 3.38Å; T86-L111 HydrophobicContact CG2-CD1 4.35Å; T86-L111 HydrophobicContact CG2-CG 4.15Å; V89-L111 HydrophobicContact CG2-CD2 3.95Å; P107-L111 WeakPolarHBondContact O-CG 3.27Å; P107-L111 PolarHBondContact O-N 3.05Å; L108-L111 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.44Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.19Å; L111-V205 HydrophobicContact CB-CG2 3.98Å; L111-V205 HydrophobicContact CD1-CG1 4.14Å; L111-Y226 VanDerWaalsContact CD1-CB 3.4Å; L111-Y226 HydrophobicContact CD1-CG 4.25Å
112C98.6Very high97Very high0 Ų035.6 Ų35.60%017%0.172CC..Hα-helixtrans-62.5-47.8179.5-71.50000111.9L108 S109 F114 L115 V116 M170 L198 A201 W202L108-C112 WeakPolarHBondContact O-CB 3.39Å; L108-C112 PolarHBondContact O-N 3.08Å; L108-C112 PolarHBondContact O-SG 2.89Å; S109-C112 PolarHBondContact O-N 3.29Å; C112-F114 VanDerWaalsContact C-N 3.35Å; C112-F114 PolarHBondContact O-N 2.93Å; C112-L115 PolarHBondContact O-N 3.26Å; C112-V116 WeakPolarHBondContact O-CG2 3.41Å; C112-V116 PolarHBondContact O-N 3.26Å; C112-M170 HydrophobicContact CB-SD 4.09Å; C112-L198 HydrophobicContact CB-CD2 3.99Å; C112-A201 HydrophobicContact CB-CB 3.98Å; C112-A201 WeakPolarHBondContact O-CB 3.34Å; C112-W202 VanDerWaalsContact SG-CA 3.53Å
113V98.5Very high97Very high3 Ų335.8 Ų35.82%0.01818%0.175CC..Hα-helixtrans-60.2-47.2177.9171.10000110.4L94 S109 L115 V116 C117 F177 F178 L181 L193 L198L94-V113 HydrophobicContact CD1-CG1 4.28Å; S109-V113 VanDerWaalsContact O-CG2 3.32Å; S109-V113 WeakPolarHBondContact O-CG2 3.49Å; S109-V113 PolarHBondContact O-N 3.26Å; V113-L115 PolarHBondContact O-N 2.92Å; V113-V116 PolarHBondContact O-N 2.96Å; V113-C117 PolarHBondContact O-N 3.26Å; V113-C117 PolarHBondContact O-SG 3.01Å; V113-F177 HydrophobicContact CG1-CE1 4.32Å; V113-F177 HydrophobicContact CG2-CE1 4.36Å; V113-F178 HydrophobicContact CG2-CD1 4.3Å; V113-F178 HydrophobicContact CG2-CE1 3.59Å; V113-F178 HydrophobicContact CG2-CZ 4.39Å; V113-L181 HydrophobicContact CG1-CD1 3.61Å; V113-L193 HydrophobicContact CG1-CD1 4.19Å; V113-L193 HydrophobicContact CG1-CD2 4.35Å; V113-L198 HydrophobicContact CG2-CD2 4.38Å
114F98.7Very high97.1Very high4 Ų434.1 Ų34.12%0.01817%0.17CC..Hα-helixtrans-57.8-47.8177.2-176.7-95.7000111.9L84 V89 L94 A110 L111 C112 V116 C117 E118 W127L84-F114 HydrophobicContact CD1-CD1 4.01Å; L84-F114 HydrophobicContact CD1-CE1 3.8Å; L84-F114 HydrophobicContact CD2-CD1 4.09Å; L84-F114 HydrophobicContact CD2-CE1 4.37Å; L84-F114 HydrophobicContact CG-CD1 4.27Å; L84-F114 HydrophobicContact CG-CE1 4.07Å; V89-F114 HydrophobicContact CB-CB 4.4Å; V89-F114 HydrophobicContact CB-CD2 4.36Å; V89-F114 HydrophobicContact CB-CG 4.38Å; V89-F114 HydrophobicContact CG1-CB 3.91Å; V89-F114 HydrophobicContact CG1-CD2 4.09Å; V89-F114 HydrophobicContact CG1-CG 4.22Å; V89-F114 HydrophobicContact CG2-CB 3.65Å; V89-F114 HydrophobicContact CG2-CD1 4Å; V89-F114 HydrophobicContact CG2-CD2 4.07Å; V89-F114 HydrophobicContact CG2-CG 3.64Å; L94-F114 HydrophobicContact CD1-CB 4.31Å; L94-F114 HydrophobicContact CD1-CD2 4.02Å; A110-F114 WeakPolarHBondContact O-CB 3.31Å; A110-F114 PolarHBondContact O-N 3.4Å; A110-F114 VanDerWaalsContact O-N 3.08Å; L111-F114 PolarHBondContact O-N 3.44Å; C112-F114 VanDerWaalsContact C-N 3.35Å; C112-F114 PolarHBondContact O-N 2.93Å; F114-V116 VanDerWaalsContact C-N 3.35Å; F114-V116 PolarHBondContact O-N 3.34Å; F114-C117 PolarHBondContact O-N 3.41Å; F114-E118 HydrophobicContact CD1-CG 3.87Å; F114-E118 HydrophobicContact CD2-CG 4.34Å; F114-E118 HydrophobicContact CE1-CG 3.47Å; F114-E118 VanDerWaalsContact CE1-CG 3.47Å; F114-E118 HydrophobicContact CE2-CG 3.95Å; F114-E118 HydrophobicContact CG-CG 4.28Å; F114-E118 HydrophobicContact CZ-CG 3.5Å; F114-E118 VanDerWaalsContact CZ-CG 3.5Å; F114-E118 WeakPolarHBondContact O-CB 3.49Å; F114-E118 WeakPolarHBondContact O-CG 3.47Å; F114-E118 PolarHBondContact O-N 3.11Å; F114-W127 AromaticContact CE1-CD1 3.88Å; F114-W127 HydrophobicContact CE1-CG 4.32Å; F114-W127 AromaticContact CZ-CD1 3.76Å; F114-W127 AromaticContact CZ-NE1 3.93Å
115L98.6Very high97.2Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-59.4-41.7177.9-83.1-175.7000113.2L84 L111 C112 V113 R119 I131 W200 A201 V205 L228L84-L115 HydrophobicContact CD1-CD2 3.85Å; L111-L115 WeakPolarHBondContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.19Å; C112-L115 PolarHBondContact O-N 3.26Å; V113-L115 PolarHBondContact O-N 2.92Å; L115-R119 VanDerWaalsContact O-CB 3.26Å; L115-R119 WeakPolarHBondContact O-CB 3.22Å; L115-R119 PolarHBondContact O-N 3.32Å; L115-I131 HydrophobicContact CD2-CD1 4.46Å; L115-I131 HydrophobicContact CD2-CG1 4.31Å; L115-W200 HydrophobicContact CB-CZ3 4.16Å; L115-A201 HydrophobicContact CB-CB 4.04Å; L115-A201 HydrophobicContact CD1-CB 4.33Å; L115-V205 HydrophobicContact CD1-CG2 3.76Å; L115-L228 HydrophobicContact CD1-CD1 3.75Å; L115-L228 HydrophobicContact CD2-CD1 4.02Å; L115-L228 HydrophobicContact CG-CD1 4.16Å
116V98.6Very high97.2Very high6 Ų634.3 Ų34.34%0.03618%0.18CC..Hα-helixtrans-64.6-47.1178175.40000110.5C112 V113 F114 E118 R119 Q120 V192 L193 A197 L198 A201C112-V116 WeakPolarHBondContact O-CG2 3.41Å; C112-V116 PolarHBondContact O-N 3.26Å; V113-V116 PolarHBondContact O-N 2.96Å; F114-V116 VanDerWaalsContact C-N 3.35Å; F114-V116 PolarHBondContact O-N 3.34Å; V116-E118 PolarHBondContact O-N 3.03Å; V116-R119 PolarHBondContact O-N 3.35Å; V116-Q120 PolarHBondContact O-N 3.48Å; V116-V192 HydrophobicContact CG1-CG1 4.09Å; V116-V192 WeakPolarHBondContact CG1-O 3.47Å; V116-L193 HydrophobicContact CB-CD2 3.8Å; V116-L193 HydrophobicContact CG1-CD2 3.65Å; V116-L193 HydrophobicContact CG2-CD2 4.48Å; V116-A197 HydrophobicContact CG1-CB 3.72Å; V116-A197 HydrophobicContact CG2-CB 4Å; V116-A197 WeakPolarHBondContact CG2-O 3.28Å; V116-L198 HydrophobicContact CG2-CD2 4.04Å; V116-A201 HydrophobicContact CG2-CB 3.67Å
117C98.2Very high97.2Very high1 Ų133.5 Ų33.51%0.00717%0.172CC..Hα-helixtrans-62.3-44.7179.1-61.70000111.9Y93 L94 V113 F114 R119 Q120 R121 L185Y93-C117 VanDerWaalsContact OH-CB 3.26Å; Y93-C117 WeakPolarHBondContact OH-CB 3.18Å; L94-C117 HydrophobicContact CD1-CB 4.29Å; V113-C117 PolarHBondContact O-N 3.26Å; V113-C117 PolarHBondContact O-SG 3.01Å; F114-C117 PolarHBondContact O-N 3.41Å; C117-R119 PolarHBondContact O-N 2.95Å; C117-Q120 WeakPolarHBondContact O-CB 3.4Å; C117-Q120 PolarHBondContact O-N 3.13Å; C117-R121 WeakPolarHBondContact O-CG 3.23Å; C117-R121 PolarHBondContact O-N 3.05Å; C117-R121 VanDerWaalsContact O-N 3.11Å; C117-L185 HydrophobicContact CB-CD2 4.38Å
118E98.1Very high97.4Very high10 Ų1034.9 Ų34.95%0.04718%0.177CC..Hα-helixtrans-65.5-38177.9-70.2-61.199.400112.1Y93 F114 V116 Q120 R121 G122 S125 I131Y93-E118 WeakPolarHBondContact CE1-OE1 3.42Å; F114-E118 HydrophobicContact CD1-CG 3.87Å; F114-E118 HydrophobicContact CD2-CG 4.34Å; F114-E118 HydrophobicContact CE1-CG 3.47Å; F114-E118 VanDerWaalsContact CE1-CG 3.47Å; F114-E118 HydrophobicContact CE2-CG 3.95Å; F114-E118 HydrophobicContact CG-CG 4.28Å; F114-E118 HydrophobicContact CZ-CG 3.5Å; F114-E118 VanDerWaalsContact CZ-CG 3.5Å; F114-E118 WeakPolarHBondContact O-CB 3.49Å; F114-E118 WeakPolarHBondContact O-CG 3.47Å; F114-E118 PolarHBondContact O-N 3.11Å; V116-E118 PolarHBondContact O-N 3.03Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.43Å; E118-R121 PolarHBondContact O-N 2.91Å; E118-R121 WeakPolarHBondContact OE1-CD 3.26Å; E118-R121 IonicContact OE1-NE 3.43Å; E118-G122 PolarHBondContact O-N 3.42Å; E118-S125 WeakPolarHBondContact O-CB 3.49Å; E118-S125 WeakPolarHBondContact OE2-CB 3.26Å; E118-S125 PolarHBondContact OE2-OG 3.09Å; E118-I131 HydrophobicContact CB-CD1 3.35Å; E118-I131 HydrophobicContact CG-CD1 4.47Å
119R96.9Very high97.4Very high80 Ų8035 Ų3530%0.30218%0.179SC..Hα-helixtrans-60.8-41.5173.5-176.6179.2-179.4176.14.6111.2L115 V116 C117 R121 G122 I131 W200L115-R119 VanDerWaalsContact O-CB 3.26Å; L115-R119 WeakPolarHBondContact O-CB 3.22Å; L115-R119 PolarHBondContact O-N 3.32Å; V116-R119 PolarHBondContact O-N 3.35Å; C117-R119 PolarHBondContact O-N 2.95Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.21Å; R119-G122 PolarHBondContact O-N 3.37Å; R119-I131 HydrophobicContact CB-CG2 4Å; R119-I131 HydrophobicContact CG-CG2 4.11Å; R119-W200 HydrophobicContact CB-CH2 4.28Å; R119-W200 HydrophobicContact CB-CZ3 4.18Å; R119-W200 HydrophobicContact CG-CH2 4.39Å; R119-W200 HydrophobicContact CG-CZ3 4.48Å
120Q95.4Very high97.5Very high76 Ų7634.6 Ų34.636%0.35518%0.176SC..Hα-helixtrans-66.4-32.7179.5-169.662.711.500112.9V116 C117 E118 G122 V192V116-Q120 PolarHBondContact O-N 3.48Å; C117-Q120 WeakPolarHBondContact O-CB 3.4Å; C117-Q120 PolarHBondContact O-N 3.13Å; E118-Q120 VanDerWaalsContact C-N 3.3Å; E118-Q120 PolarHBondContact O-N 3.43Å; Q120-G122 PolarHBondContact O-N 3.17Å; Q120-V192 HydrophobicContact CB-CG1 4.28Å; Q120-V192 HydrophobicContact CG-CG1 4.29Å; Q120-V192 HydrophobicContact CG-CG2 4.15Å
121R95.6Very high97.5Very high113 Ų11335.2 Ų35.243%0.42618%0.179SC..Hα-helixtrans-68.6-17.2176-68.7171.56583.58.6113C117 E118 R119 E123 A124C117-R121 WeakPolarHBondContact O-CG 3.23Å; C117-R121 PolarHBondContact O-N 3.05Å; C117-R121 VanDerWaalsContact O-N 3.11Å; E118-R121 PolarHBondContact O-N 2.91Å; E118-R121 WeakPolarHBondContact OE1-CD 3.26Å; E118-R121 IonicContact OE1-NE 3.43Å; R119-R121 VanDerWaalsContact C-N 3.3Å; R119-R121 PolarHBondContact O-N 3.21Å; R121-E123 PolarHBondContact O-N 2.87Å; R121-A124 PolarHBondContact NH2-O 3.24Å; R121-A124 WeakPolarHBondContact O-CB 3.19Å; R121-A124 PolarHBondContact O-N 3.41Å; R121-A124 VanDerWaalsContact O-N 3.15Å
122G95.7Very high97.4Very high20 Ų2038 Ų3821%0.20619%0.194CC..G310 helixtrans55.1-137.1178.600000111.5E118 R119 Q120 A124 S125 F128E118-G122 PolarHBondContact O-N 3.42Å; R119-G122 PolarHBondContact O-N 3.37Å; Q120-G122 PolarHBondContact O-N 3.17Å; G122-A124 PolarHBondContact O-N 3.17Å; G122-S125 WeakPolarHBondContact O-CB 3.29Å; G122-S125 PolarHBondContact O-N 2.89Å; G122-F128 VanDerWaalsContact O-CB 3.31Å; G122-F128 WeakPolarHBondContact O-CB 3.24Å; G122-F128 WeakPolarHBondContact O-CD2 3.32Å; G122-F128 WeakPolarHBondContact O-CG 3.23Å
123E96.4Very high97.2Very high134 Ų13438 Ų3863%0.62620%0.195SC*.G310 helixtrans-61.7-12.3-178.2-59.7-159.1156.200114.3R36 R121 S125 F128R36-E123 IonicContact CZ-OE1 3.67Å; R36-E123 VanDerWaalsContact CZ-OE1 3.31Å; R36-E123 IonicContact NH1-OE1 3.79Å; R36-E123 PolarHBondContact NH1-OE1 3.39Å; R36-E123 IonicContact NH2-OE1 3.76Å; R36-E123 PolarHBondContact NH2-OE1 3.14Å; R121-E123 PolarHBondContact O-N 2.87Å; E123-S125 VanDerWaalsContact C-N 3.28Å; E123-F128 HydrophobicContact CB-CD1 4.44Å; E123-F128 HydrophobicContact CG-CD1 4.01Å; E123-F128 HydrophobicContact CG-CE1 3.67Å; E123-F128 HydrophobicContact CG-CE2 4.23Å; E123-F128 HydrophobicContact CG-CG 4.46Å; E123-F128 HydrophobicContact CG-CZ 3.78Å
124A96.1Very high97.1Very high68 Ų6838.4 Ų38.456%0.56220%0.196SC*.G310 helixtrans-81.7-2.4172.900000113.9R121 G122R121-A124 PolarHBondContact NH2-O 3.24Å; R121-A124 WeakPolarHBondContact O-CB 3.19Å; R121-A124 PolarHBondContact O-N 3.41Å; R121-A124 VanDerWaalsContact O-N 3.15Å; G122-A124 PolarHBondContact O-N 3.17Å
125S96.9Very high96.8Very high5 Ų539.2 Ų39.24%0.03520%0.202CC..SBendtrans-88.1133.2170.1165.10000110.5E118 G122 E123 W127 F128E118-S125 WeakPolarHBondContact O-CB 3.49Å; E118-S125 WeakPolarHBondContact OE2-CB 3.26Å; E118-S125 PolarHBondContact OE2-OG 3.09Å; G122-S125 WeakPolarHBondContact O-CB 3.29Å; G122-S125 PolarHBondContact O-N 2.89Å; E123-S125 VanDerWaalsContact C-N 3.28Å; S125-W127 PolarHBondContact O-N 3.38Å; S125-W127 WeakPolarHBondContact OG-CA 3.28Å; S125-W127 PolarHBondContact OG-N 3.14Å; S125-F128 WeakPolarHBondContact O-CB 3.49Å; S125-F128 PolarHBondContact O-N 3.11Å; S125-F128 VanDerWaalsContact O-N 3.09Å; S125-F128 PolarHBondContact OG-N 2.89Å
126D96.1Very high96.4Very high126 Ų12648.3 Ų48.367%0.67424%0.238SC*.THydrogen-bonded Turntrans-62.5-27170.8-70.9-25.7000112F40 P129F40-D126 WeakPolarHBondContact CD2-O 3.39Å; F40-D126 WeakPolarHBondContact CE2-O 3.43Å; D126-P129 WeakPolarHBondContact O-CD 3.45Å
127W97.9Very high96Very high21 Ų2151.6 Ų51.68%0.0826%0.261CS..THydrogen-bonded Turntrans-86.9-2.6177.9-71.593.5000113.6F40 L83 L84 T88 F114 S125 P129 Y130 I131 P230F40-W127 HydrophobicContact CE1-CZ3 4.26Å; F40-W127 HydrophobicContact CE2-CE3 4.36Å; F40-W127 HydrophobicContact CZ-CD2 4.25Å; F40-W127 AromaticContact CZ-CE3 3.67Å; F40-W127 HydrophobicContact CZ-CE3 3.67Å; F40-W127 HydrophobicContact CZ-CH2 4.19Å; F40-W127 AromaticContact CZ-CZ3 3.64Å; F40-W127 HydrophobicContact CZ-CZ3 3.64Å; L83-W127 WeakPolarHBondContact O-CH2 3.4Å; L84-W127 HydrophobicContact CB-CD2 4.46Å; L84-W127 HydrophobicContact CB-CE3 3.96Å; L84-W127 HydrophobicContact CB-CH2 3.69Å; L84-W127 HydrophobicContact CB-CZ2 4.21Å; L84-W127 HydrophobicContact CB-CZ3 3.54Å; L84-W127 HydrophobicContact CD1-CD2 3.88Å; L84-W127 HydrophobicContact CD1-CE3 3.81Å; L84-W127 HydrophobicContact CD1-CG 4.3Å; L84-W127 HydrophobicContact CD1-CZ3 4.28Å; L84-W127 HydrophobicContact CG-CD2 4.29Å; L84-W127 HydrophobicContact CG-CE3 4.22Å; L84-W127 HydrophobicContact CG-CH2 4.34Å; L84-W127 HydrophobicContact CG-CZ2 4.4Å; L84-W127 HydrophobicContact CG-CZ3 4.25Å; T88-W127 HydrophobicContact CG2-CH2 4.47Å; T88-W127 HydrophobicContact CG2-CZ2 3.44Å; T88-W127 VanDerWaalsContact CG2-CZ2 3.44Å; F114-W127 AromaticContact CE1-CD1 3.88Å; F114-W127 HydrophobicContact CE1-CG 4.32Å; F114-W127 AromaticContact CZ-CD1 3.76Å; F114-W127 AromaticContact CZ-NE1 3.93Å; S125-W127 PolarHBondContact O-N 3.38Å; S125-W127 WeakPolarHBondContact OG-CA 3.28Å; S125-W127 PolarHBondContact OG-N 3.14Å; W127-P129 VanDerWaalsContact C-CD 3.41Å; W127-P129 VanDerWaalsContact C-N 3.33Å; W127-Y130 HydrophobicContact CE3-CD1 4.14Å; W127-Y130 PolarHBondContact O-N 3.18Å; W127-I131 HydrophobicContact CB-CD1 3.99Å; W127-I131 HydrophobicContact CB-CG1 4.47Å; W127-I131 PolarHBondContact O-N 3.45Å; W127-P230 HydrophobicContact CZ3-CG 4.25Å
128F98.1Very high95.7Very high34 Ų3452.7 Ų52.715%0.14927%0.265CS..Hα-helixtrans-49.7-44.7178.3-178.7-99.4000113.7G122 E123 S125 Y130 I131 D132G122-F128 VanDerWaalsContact O-CB 3.31Å; G122-F128 WeakPolarHBondContact O-CB 3.24Å; G122-F128 WeakPolarHBondContact O-CD2 3.32Å; G122-F128 WeakPolarHBondContact O-CG 3.23Å; E123-F128 HydrophobicContact CB-CD1 4.44Å; E123-F128 HydrophobicContact CG-CD1 4.01Å; E123-F128 HydrophobicContact CG-CE1 3.67Å; E123-F128 HydrophobicContact CG-CE2 4.23Å; E123-F128 HydrophobicContact CG-CG 4.46Å; E123-F128 HydrophobicContact CG-CZ 3.78Å; S125-F128 WeakPolarHBondContact O-CB 3.49Å; S125-F128 PolarHBondContact O-N 3.11Å; S125-F128 VanDerWaalsContact O-N 3.09Å; S125-F128 PolarHBondContact OG-N 2.89Å; F128-Y130 PolarHBondContact O-N 3.23Å; F128-Y130 VanDerWaalsContact O-N 3.1Å; F128-I131 PolarHBondContact O-N 3.02Å; F128-I131 VanDerWaalsContact O-N 3.12Å; F128-D132 HydrophobicContact CD1-CB 4.43Å; F128-D132 HydrophobicContact CE1-CB 3.99Å; F128-D132 HydrophobicContact CE2-CB 4.27Å; F128-D132 HydrophobicContact CZ-CB 3.92Å; F128-D132 VanDerWaalsContact O-CB 3.23Å; F128-D132 WeakPolarHBondContact O-CB 3.49Å; F128-D132 PolarHBondContact O-N 3.33Å
129P98Very high95.2Very high24 Ų2454.3 Ų54.316%0.15628%0.28CS..Hα-helixtrans-59.6-26.7179.8-26.537.8000114.5R36 F40 D126 W127R36-P129 HydrophobicContact CB-CB 4.22Å; F40-P129 HydrophobicContact CB-CB 3.66Å; F40-P129 HydrophobicContact CB-CG 3.93Å; F40-P129 HydrophobicContact CD2-CB 4.18Å; F40-P129 HydrophobicContact CD2-CG 3.98Å; F40-P129 HydrophobicContact CG-CB 3.99Å; F40-P129 HydrophobicContact CG-CG 4.23Å; D126-P129 WeakPolarHBondContact O-CD 3.45Å; W127-P129 VanDerWaalsContact C-CD 3.41Å; W127-P129 VanDerWaalsContact C-N 3.33Å
130Y98.1Very high94.9Very high2 Ų250.7 Ų50.71%0.00827%0.267CS..Hα-helixtrans-83.2-48.2172.8170.1-130.3000111.5L84 W127 F128 D132 V133 L134 L228 P230 D233L84-Y130 HydrophobicContact CD1-CD1 4.48Å; L84-Y130 HydrophobicContact CD1-CE1 4.5Å; W127-Y130 HydrophobicContact CE3-CD1 4.14Å; W127-Y130 PolarHBondContact O-N 3.18Å; F128-Y130 PolarHBondContact O-N 3.23Å; F128-Y130 VanDerWaalsContact O-N 3.1Å; Y130-D132 VanDerWaalsContact C-N 3.25Å; Y130-D132 PolarHBondContact O-N 2.89Å; Y130-V133 PolarHBondContact O-N 3.43Å; Y130-L134 HydrophobicContact CE1-CD1 4.45Å; Y130-L134 HydrophobicContact CE2-CD2 3.83Å; Y130-L134 HydrophobicContact CE2-CG 4.34Å; Y130-L134 PolarHBondContact O-N 2.9Å; Y130-L228 HydrophobicContact CE1-CB 3.97Å; Y130-L228 HydrophobicContact CE1-CD1 4.05Å; Y130-L228 WeakPolarHBondContact OH-CB 3.44Å; Y130-L228 WeakPolarHBondContact OH-CD2 3.32Å; Y130-P230 HydrophobicContact CD1-CG 3.86Å; Y130-P230 HydrophobicContact CD2-CB 3.39Å; Y130-P230 HydrophobicContact CD2-CG 3.57Å; Y130-P230 HydrophobicContact CE1-CG 4.16Å; Y130-P230 HydrophobicContact CE2-CB 3.82Å; Y130-P230 HydrophobicContact CE2-CG 3.89Å; Y130-P230 HydrophobicContact CG-CB 3.81Å; Y130-P230 HydrophobicContact CG-CG 3.54Å; Y130-D233 WeakPolarHBondContact CE2-OD2 3.48Å; Y130-D233 PolarHBondContact OH-OD2 2.65Å
131I98.1Very high94.8Very high12 Ų1247.3 Ų47.36%0.06225%0.252CS..Hα-helixtrans-60.6-36.6-177.6-66.4169.8000111.5L115 E118 R119 W127 F128 V133 L134 W200L115-I131 HydrophobicContact CD2-CD1 4.46Å; L115-I131 HydrophobicContact CD2-CG1 4.31Å; E118-I131 HydrophobicContact CB-CD1 3.35Å; E118-I131 HydrophobicContact CG-CD1 4.47Å; R119-I131 HydrophobicContact CB-CG2 4Å; R119-I131 HydrophobicContact CG-CG2 4.11Å; W127-I131 HydrophobicContact CB-CD1 3.99Å; W127-I131 HydrophobicContact CB-CG1 4.47Å; W127-I131 PolarHBondContact O-N 3.45Å; F128-I131 PolarHBondContact O-N 3.02Å; F128-I131 VanDerWaalsContact O-N 3.12Å; I131-V133 PolarHBondContact O-N 3.39Å; I131-L134 VanDerWaalsContact O-CB 3.32Å; I131-L134 WeakPolarHBondContact O-CB 3.13Å; I131-L134 PolarHBondContact O-N 2.89Å; I131-L134 VanDerWaalsContact O-N 3.14Å; I131-W200 HydrophobicContact CG2-CH2 4.09Å
132D96.3Very high94.7Very high58 Ų5842 Ų4231%0.3123%0.232SC..THydrogen-bonded Turntrans-64.5-24.5178-166.243.8000113Q33 F128 Y130Q33-D132 WeakPolarHBondContact CB-OD2 3.44Å; F128-D132 HydrophobicContact CD1-CB 4.43Å; F128-D132 HydrophobicContact CE1-CB 3.99Å; F128-D132 HydrophobicContact CE2-CB 4.27Å; F128-D132 HydrophobicContact CZ-CB 3.92Å; F128-D132 VanDerWaalsContact O-CB 3.23Å; F128-D132 WeakPolarHBondContact O-CB 3.49Å; F128-D132 PolarHBondContact O-N 3.33Å; Y130-D132 VanDerWaalsContact C-N 3.25Å; Y130-D132 PolarHBondContact O-N 2.89Å
133V95.6Very high94.6Very high2 Ų242.8 Ų42.81%0.01223%0.229CC..THydrogen-bonded Turntrans-86.9-19.7177175.10000112.2Q33 Y34 L37 R61 Y130 I131 L234Q33-V133 HydrophobicContact CB-CG2 4Å; Q33-V133 HydrophobicContact CG-CG2 4.17Å; Y34-V133 HydrophobicContact CD1-CG1 4.21Å; Y34-V133 HydrophobicContact CD1-CG2 4.32Å; Y34-V133 HydrophobicContact CE1-CG1 3.51Å; Y34-V133 HydrophobicContact CE1-CG2 4.36Å; L37-V133 HydrophobicContact CB-CG2 4.1Å; L37-V133 HydrophobicContact CD2-CB 4.38Å; L37-V133 HydrophobicContact CD2-CG1 4.23Å; L37-V133 HydrophobicContact CD2-CG2 4.02Å; R61-V133 PolarHBondContact NH1-O 3.32Å; R61-V133 PolarHBondContact NH2-O 2.93Å; Y130-V133 PolarHBondContact O-N 3.43Å; I131-V133 PolarHBondContact O-N 3.39Å; V133-L234 HydrophobicContact CG1-CD2 4.4Å
134L95.8Very high94.5Very high10 Ų1036.7 Ų36.75%0.05220%0.2CC..SBendtrans-60.4152.8177.1-66177.9000111.5Y130 I131 Y136 W200Y130-L134 HydrophobicContact CE1-CD1 4.45Å; Y130-L134 HydrophobicContact CE2-CD2 3.83Å; Y130-L134 HydrophobicContact CE2-CG 4.34Å; Y130-L134 PolarHBondContact O-N 2.9Å; I131-L134 VanDerWaalsContact O-CB 3.32Å; I131-L134 WeakPolarHBondContact O-CB 3.13Å; I131-L134 PolarHBondContact O-N 2.89Å; I131-L134 VanDerWaalsContact O-N 3.14Å; L134-Y136 PolarHBondContact O-N 3.34Å; L134-W200 HydrophobicContact CB-CZ2 4.12Å; L134-W200 HydrophobicContact CD1-CH2 3.93Å; L134-W200 HydrophobicContact CD1-CZ2 3.85Å
135P92.3Very high94.3Very high21 Ų2135.4 Ų35.414%0.13619%0.187CC..  trans-54.9133.6170.6-23.332.9000111.4S137 Y138 W200 R208P135-S137 VanDerWaalsContact C-N 3.25Å; P135-S137 VanDerWaalsContact CB-O 3.25Å; P135-S137 WeakPolarHBondContact CB-O 3.39Å; P135-S137 PolarHBondContact O-N 2.82Å; P135-Y138 HydrophobicContact CB-CD1 4.48Å; P135-Y138 HydrophobicContact CB-CE1 4.06Å; P135-Y138 HydrophobicContact CB-CE2 4.29Å; P135-Y138 WeakPolarHBondContact CD-OH 3.48Å; P135-Y138 HydrophobicContact CG-CE1 3.77Å; P135-W200 PolarHBondContact O-NE1 3.22Å; P135-R208 VanDerWaalsContact CD-NE 3.32Å
136Y90.8Very high94.1Very high192 Ų19239.9 Ų39.975%0.75321%0.207SC*.SBendtrans-64.4-35.2175.1-177.3-96.4000112L134L134-Y136 PolarHBondContact O-N 3.34Å
137S90.1Very high93.9Very high75 Ų7538.6 Ų38.652%0.52420%0.197SC..SBendtrans-143.1167.9175.561.10000110P135P135-S137 VanDerWaalsContact C-N 3.25Å; P135-S137 VanDerWaalsContact CB-O 3.25Å; P135-S137 WeakPolarHBondContact CB-O 3.39Å; P135-S137 PolarHBondContact O-N 2.82Å
138Y90.8Very high93.8Very high24 Ų2437.6 Ų37.69%0.09419%0.194CC..  trans-123.2152.3177.6-65.8-94.1000110.1P135 Y143 W200 C203 S204 T207P135-Y138 HydrophobicContact CB-CD1 4.48Å; P135-Y138 HydrophobicContact CB-CE1 4.06Å; P135-Y138 HydrophobicContact CB-CE2 4.29Å; P135-Y138 WeakPolarHBondContact CD-OH 3.48Å; P135-Y138 HydrophobicContact CG-CE1 3.77Å; Y138-Y143 HydrophobicContact CD2-CE2 4.45Å; Y138-Y143 WeakPolarHBondContact O-CD2 3.4Å; Y138-W200 AromaticContact CE2-CD1 3.67Å; Y138-W200 HydrophobicContact CE2-CG 4.39Å; Y138-W200 AromaticContact CE2-NE1 3.81Å; Y138-C203 HydrophobicContact CD1-CB 3.94Å; Y138-C203 HydrophobicContact CD2-CB 3.4Å; Y138-C203 VanDerWaalsContact CD2-CB 3.4Å; Y138-C203 HydrophobicContact CE1-CB 4.21Å; Y138-C203 HydrophobicContact CE2-CB 3.74Å; Y138-C203 HydrophobicContact CG-CB 3.54Å; Y138-S204 WeakPolarHBondContact OH-CA 3.42Å; Y138-S204 WeakPolarHBondContact OH-CB 3.27Å; Y138-S204 PolarHBondContact OH-OG 2.82Å; Y138-T207 HydrophobicContact CD1-CG2 4.11Å; Y138-T207 HydrophobicContact CE1-CG2 4.05Å; Y138-T207 VanDerWaalsContact CE1-OG1 3.32Å; Y138-T207 WeakPolarHBondContact CE1-OG1 3.34Å
139A88.6Confident93.7Very high44 Ų4436.4 Ų36.436%0.36419%0.19SC..  trans-105.126.317300000111.8F144 G249A139-F144 WeakPolarHBondContact O-CE1 3.45Å; A139-F144 WeakPolarHBondContact O-CZ 3.35Å; A139-G249 VanDerWaalsContact C-CA 3.48Å; A139-G249 WeakPolarHBondContact CB-O 3.43Å; A139-G249 VanDerWaalsContact O-CA 3.27Å; A139-G249 WeakPolarHBondContact O-CA 3.35Å
140C90.7Very high93.6Very high3 Ų339.2 Ų39.22%0.0220%0.203CC..SBendtrans-73.1157.3177-53.50000111T142 Y143C140-T142 PolarHBondContact O-N 2.86Å; C140-Y143 WeakPolarHBondContact O-CB 3.28Å; C140-Y143 PolarHBondContact O-N 3.37Å
141P93.3Very high93.5Very high6 Ų639.2 Ų39.24%0.03920%0.204CC..G310 helixtrans-55.4-20.9179.7-32.140.6000115.7Y143 F144 L245 L246P141-Y143 PolarHBondContact O-N 3.27Å; P141-Y143 VanDerWaalsContact O-N 3.16Å; P141-F144 HydrophobicContact CB-CD2 4.25Å; P141-F144 HydrophobicContact CB-CE2 4.48Å; P141-F144 HydrophobicContact CG-CE2 4.26Å; P141-F144 PolarHBondContact O-N 2.97Å; P141-F144 VanDerWaalsContact O-N 3.08Å; P141-L245 WeakPolarHBondContact CD-O 3.5Å; P141-L245 HydrophobicContact CG-CG 4.26Å; P141-L246 HydrophobicContact CG-CD2 4Å
142T93Very high93.5Very high0 Ų038.7 Ų38.70%020%0.201CC..G310 helixtrans-59.2-20.3170.853.10000113.9C140 Q163 R199 W202 C203C140-T142 PolarHBondContact O-N 2.86Å; T142-Q163 HydrophobicContact CG2-CB 3.6Å; T142-R199 VanDerWaalsContact O-CD 3.32Å; T142-R199 WeakPolarHBondContact O-CD 3.41Å; T142-R199 PolarHBondContact O-NH1 3.06Å; T142-W202 HydrophobicContact CG2-CE3 4.39Å; T142-W202 HydrophobicContact CG2-CZ3 4.11Å; T142-C203 PolarHBondContact OG1-SG 3.13Å
143Y93.7Very high93.5Very high38 Ų3836.3 Ų36.315%0.14919%0.189CC..G310 helixtrans-96.8-8.3176.8-75.2-97.8000113.9Y138 C140 P141 R199 W200 Q374Y138-Y143 HydrophobicContact CD2-CE2 4.45Å; Y138-Y143 WeakPolarHBondContact O-CD2 3.4Å; C140-Y143 WeakPolarHBondContact O-CB 3.28Å; C140-Y143 PolarHBondContact O-N 3.37Å; P141-Y143 PolarHBondContact O-N 3.27Å; P141-Y143 VanDerWaalsContact O-N 3.16Å; Y143-R199 VanDerWaalsContact CD1-CZ 3.41Å; Y143-R199 HydrophobicContact CD2-CG 4.43Å; Y143-R199 HydrophobicContact CE2-CG 3.84Å; Y143-W200 WeakPolarHBondContact OH-CA 3.46Å; Y143-W200 PolarHBondContact OH-N 3.02Å; Y143-Q374 PolarHBondContact O-NE2 3.05Å
144F94.1Very high93.4Very high6 Ų638.8 Ų38.83%0.02621%0.209CC..  trans-75.5139.9-173-68.6-0.3000111.9A139 P141 V148 L152 R164 L245 Q374 V378A139-F144 WeakPolarHBondContact O-CE1 3.45Å; A139-F144 WeakPolarHBondContact O-CZ 3.35Å; P141-F144 HydrophobicContact CB-CD2 4.25Å; P141-F144 HydrophobicContact CB-CE2 4.48Å; P141-F144 HydrophobicContact CG-CE2 4.26Å; P141-F144 PolarHBondContact O-N 2.97Å; P141-F144 VanDerWaalsContact O-N 3.08Å; F144-V148 HydrophobicContact CB-CB 4.11Å; F144-V148 HydrophobicContact CB-CG1 3.95Å; F144-V148 HydrophobicContact CD1-CG1 4.31Å; F144-V148 HydrophobicContact CD2-CG1 3.5Å; F144-V148 VanDerWaalsContact CD2-CG1 3.5Å; F144-V148 HydrophobicContact CE2-CG1 4.03Å; F144-V148 HydrophobicContact CG-CB 4.37Å; F144-V148 HydrophobicContact CG-CG1 3.67Å; F144-L152 HydrophobicContact CD2-CD1 4.03Å; F144-L152 HydrophobicContact CE2-CD1 4.39Å; F144-L152 HydrophobicContact CE2-CD2 4.21Å; F144-R164 PolarHBondContact O-NH1 2.92Å; F144-L245 HydrophobicContact CE2-CD1 4.42Å; F144-L245 HydrophobicContact CE2-CD2 4.49Å; F144-L245 HydrophobicContact CZ-CD1 4.05Å; F144-Q374 HydrophobicContact CD1-CB 4.17Å; F144-Q374 HydrophobicContact CD1-CG 3.92Å; F144-Q374 HydrophobicContact CE1-CB 4.22Å; F144-Q374 HydrophobicContact CE1-CG 4.08Å; F144-V378 HydrophobicContact CD2-CG2 4.24Å; F144-V378 HydrophobicContact CE2-CG2 3.61Å; F144-V378 HydrophobicContact CZ-CG2 4.19Å
145S92.4Very high93.3Very high40 Ų4038.7 Ų38.728%0.2821%0.211SC..  trans-66.6163167.770.10000110.7E147 V148 A149S145-E147 PolarHBondContact O-N 3.1Å; S145-V148 PolarHBondContact O-N 2.94Å; S145-V148 WeakPolarHBondContact OG-CG2 3.49Å; S145-V148 PolarHBondContact OG-N 2.89Å; S145-A149 WeakPolarHBondContact O-CB 3.4Å; S145-A149 PolarHBondContact O-N 3.5Å
146E92.7Very high93.4Very high100 Ų10037.7 Ų37.747%0.46720%0.204SC..Hα-helixtrans-57.3-40.2174.5-57.9-52.7145.600111.6V148 A149 D150 R164E146-V148 VanDerWaalsContact C-N 3.31Å; E146-V148 PolarHBondContact O-N 3.26Å; E146-A149 PolarHBondContact O-N 3.33Å; E146-A149 VanDerWaalsContact O-N 3.15Å; E146-D150 PolarHBondContact O-N 3.45Å; E146-R164 IonicContact OE1-CZ 2.82Å; E146-R164 IonicContact OE1-NH1 3.47Å; E146-R164 PolarHBondContact OE1-NH1 3.45Å; E146-R164 IonicContact OE1-NH2 2.88Å; E146-R164 PolarHBondContact OE1-NH2 3.33Å; E146-R164 IonicContact OE2-CZ 3.64Å; E146-R164 IonicContact OE2-NH1 2.88Å; E146-R164 IonicContact OE2-NH2 3.32Å; E146-R164 PolarHBondContact OE2-NH2 2.73Å
147E92.6Very high93.7Very high99 Ų9932.8 Ų32.846%0.46318%0.184SC..Hα-helixtrans-61-38.5179.9-61.3172.717500112.6S145S145-E147 PolarHBondContact O-N 3.1Å
148V95.1Very high94Very high0 Ų034.9 Ų34.90%018%0.181CC..Hα-helixtrans-74.5-41.1175.1175.90000110.5F144 S145 E146 D150 V151 L371 Q374 L375 V378F144-V148 HydrophobicContact CB-CB 4.11Å; F144-V148 HydrophobicContact CB-CG1 3.95Å; F144-V148 HydrophobicContact CD1-CG1 4.31Å; F144-V148 HydrophobicContact CD2-CG1 3.5Å; F144-V148 VanDerWaalsContact CD2-CG1 3.5Å; F144-V148 HydrophobicContact CE2-CG1 4.03Å; F144-V148 HydrophobicContact CG-CB 4.37Å; F144-V148 HydrophobicContact CG-CG1 3.67Å; S145-V148 PolarHBondContact O-N 2.94Å; S145-V148 WeakPolarHBondContact OG-CG2 3.49Å; S145-V148 PolarHBondContact OG-N 2.89Å; E146-V148 VanDerWaalsContact C-N 3.31Å; E146-V148 PolarHBondContact O-N 3.26Å; V148-D150 VanDerWaalsContact C-N 3.25Å; V148-D150 PolarHBondContact O-N 3.18Å; V148-V151 WeakPolarHBondContact O-CG2 3.45Å; V148-V151 PolarHBondContact O-N 2.9Å; V148-L371 HydrophobicContact CG2-CD1 3.41Å; V148-L371 VanDerWaalsContact CG2-CD1 3.41Å; V148-Q374 HydrophobicContact CG1-CB 4.07Å; V148-Q374 HydrophobicContact CG2-CB 3.84Å; V148-L375 HydrophobicContact CG2-CD2 3.94Å; V148-L375 HydrophobicContact CG2-CG 4.02Å; V148-V378 HydrophobicContact CG1-CG2 3.58Å
149A95.6Very high94.2Very high8 Ų838.3 Ų38.37%0.06619%0.194CC..Hα-helixtrans-60.9-37.2178.500000111.5S145 E146 V151 L152 R157S145-A149 WeakPolarHBondContact O-CB 3.4Å; S145-A149 PolarHBondContact O-N 3.5Å; E146-A149 PolarHBondContact O-N 3.33Å; E146-A149 VanDerWaalsContact O-N 3.15Å; A149-V151 PolarHBondContact O-N 3.45Å; A149-L152 VanDerWaalsContact O-CB 3.31Å; A149-L152 WeakPolarHBondContact O-CB 3.41Å; A149-L152 PolarHBondContact O-N 3.48Å; A149-L152 VanDerWaalsContact O-N 3.13Å; A149-R157 WeakPolarHBondContact O-CD 3.45Å; A149-R157 WeakPolarHBondContact O-CG 3.41Å
150D95.6Very high94.6Very high83 Ų8336.4 Ų36.444%0.44418%0.178SC..Hα-helixtrans-58.5-33.3178.9-84.6-6.9000114.1E146 V148 R157 K359E146-D150 PolarHBondContact O-N 3.45Å; V148-D150 VanDerWaalsContact C-N 3.25Å; V148-D150 PolarHBondContact O-N 3.18Å; D150-R157 PolarHBondContact O-NH1 2.94Å; D150-K359 IonicContact OD2-NZ 3.16Å; D150-K359 PolarHBondContact OD2-NZ 3.44Å
151V97.1Very high94.8Very high2 Ų239.3 Ų39.31%0.01219%0.193CC..Hα-helixtrans-91-4-178-67.70000113.1V148 A149 K359 I360 L363 L375 V378 R382V148-V151 WeakPolarHBondContact O-CG2 3.45Å; V148-V151 PolarHBondContact O-N 2.9Å; A149-V151 PolarHBondContact O-N 3.45Å; V151-K359 HydrophobicContact CG1-CB 4.02Å; V151-K359 HydrophobicContact CG1-CD 3.62Å; V151-K359 HydrophobicContact CG1-CG 3.71Å; V151-I360 HydrophobicContact CB-CD1 4.11Å; V151-I360 HydrophobicContact CB-CG1 3.78Å; V151-I360 HydrophobicContact CG1-CG1 4.05Å; V151-I360 HydrophobicContact CG2-CD1 4.19Å; V151-I360 HydrophobicContact CG2-CG1 3.72Å; V151-L363 HydrophobicContact CG1-CD1 4.37Å; V151-L375 HydrophobicContact CG2-CD2 4.34Å; V151-V378 HydrophobicContact CG2-CG1 4Å; V151-R382 PolarHBondContact O-NE 2.87Å; V151-R382 PolarHBondContact O-NH2 3.2Å
152L97.3Very high95Very high2 Ų244 Ų441%0.0122%0.215CC..SBendtrans-67153.9171.5-73.6173000112.4F144 A149 V156 R157 L245 V378 L381 R382F144-L152 HydrophobicContact CD2-CD1 4.03Å; F144-L152 HydrophobicContact CE2-CD1 4.39Å; F144-L152 HydrophobicContact CE2-CD2 4.21Å; A149-L152 VanDerWaalsContact O-CB 3.31Å; A149-L152 WeakPolarHBondContact O-CB 3.41Å; A149-L152 PolarHBondContact O-N 3.48Å; A149-L152 VanDerWaalsContact O-N 3.13Å; L152-V156 HydrophobicContact CD1-CG1 4.24Å; L152-V156 HydrophobicContact CD2-CG1 3.92Å; L152-R157 HydrophobicContact CB-CB 3.93Å; L152-L245 HydrophobicContact CD2-CD2 3.86Å; L152-V378 HydrophobicContact CD2-CB 4.37Å; L152-V378 HydrophobicContact CD2-CG1 3.85Å; L152-V378 HydrophobicContact CD2-CG2 3.62Å; L152-V378 HydrophobicContact CG-CG1 4.41Å; L152-V378 HydrophobicContact CG-CG2 4.31Å; L152-L381 HydrophobicContact CD2-CD2 4.35Å; L152-R382 PolarHBondContact O-NH2 2.88Å
153P96.2Very high95.1Very high8 Ų845.5 Ų45.55%0.05222%0.221CC..  trans-56144.9167.1-19.730.7000110.7G155 V156 R157 L381 R382 E385P153-G155 PolarHBondContact O-N 3.33Å; P153-V156 HydrophobicContact CB-CB 4.3Å; P153-V156 HydrophobicContact CB-CG2 4.02Å; P153-V156 HydrophobicContact CG-CB 4.38Å; P153-V156 HydrophobicContact CG-CG2 4.05Å; P153-V156 PolarHBondContact O-N 3.1Å; P153-R157 WeakPolarHBondContact O-CB 3.35Å; P153-R157 PolarHBondContact O-N 2.72Å; P153-L381 HydrophobicContact CG-CD2 3.74Å; P153-L381 HydrophobicContact CG-CG 4.37Å; P153-R382 VanDerWaalsContact N-CZ 3.32Å; P153-E385 WeakPolarHBondContact CB-OE1 3.06Å; P153-E385 WeakPolarHBondContact CG-OE1 3.43Å; P153-E385 WeakPolarHBondContact CG-OE2 3.24Å
154A93.4Very high95.2Very high53 Ų5344.6 Ų44.644%0.43822%0.218SC..Hα-helixtrans-54.6-46.5-170.400000113.5R157 R158 E263A154-R157 PolarHBondContact O-N 3.33Å; A154-R158 WeakPolarHBondContact O-CB 3.4Å; A154-R158 PolarHBondContact O-N 3.17Å; A154-E263 HydrophobicContact CB-CG 4.47Å
155G93.4Very high95.4Very high8 Ų849 Ų498%0.08224%0.238CC..Hα-helixtrans-63.8-40.5176.900000113.2P153 R159 E263P153-G155 PolarHBondContact O-N 3.33Å; G155-R159 WeakPolarHBondContact O-CG 3.45Å; G155-R159 PolarHBondContact O-N 2.96Å; G155-E263 VanDerWaalsContact CA-OE1 3.32Å; G155-E263 WeakPolarHBondContact CA-OE1 3.38Å
156V95.9Very high95.6Very high0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-68-42.4177.1-177.10000110.9L152 P153 R159 G160 Q242 L245 L246 L381L152-V156 HydrophobicContact CD1-CG1 4.24Å; L152-V156 HydrophobicContact CD2-CG1 3.92Å; P153-V156 HydrophobicContact CB-CB 4.3Å; P153-V156 HydrophobicContact CB-CG2 4.02Å; P153-V156 HydrophobicContact CG-CB 4.38Å; P153-V156 HydrophobicContact CG-CG2 4.05Å; P153-V156 PolarHBondContact O-N 3.1Å; V156-R159 PolarHBondContact O-N 3.09Å; V156-G160 PolarHBondContact O-N 2.86Å; V156-Q242 HydrophobicContact CG2-CB 3.92Å; V156-Q242 VanDerWaalsContact CG2-CD 3.45Å; V156-Q242 HydrophobicContact CG2-CG 3.69Å; V156-L245 HydrophobicContact CG1-CD2 4.11Å; V156-L246 HydrophobicContact CG1-CD1 4.33Å; V156-L246 HydrophobicContact CG1-CD2 4.08Å; V156-L246 HydrophobicContact CG1-CG 4.05Å; V156-L381 HydrophobicContact CG2-CD2 4.47Å
157R96.4Very high95.8Very high90 Ų9044.3 Ų44.334%0.3422%0.219SC..Hα-helixtrans-57.8-52.4174.8-175173.565.7-136.32.2110.5A149 D150 L152 P153 A154 R159 G160 L161A149-R157 WeakPolarHBondContact O-CD 3.45Å; A149-R157 WeakPolarHBondContact O-CG 3.41Å; D150-R157 PolarHBondContact O-NH1 2.94Å; L152-R157 HydrophobicContact CB-CB 3.93Å; P153-R157 WeakPolarHBondContact O-CB 3.35Å; P153-R157 PolarHBondContact O-N 2.72Å; A154-R157 PolarHBondContact O-N 3.33Å; R157-R159 PolarHBondContact O-N 3.16Å; R157-G160 PolarHBondContact O-N 3.48Å; R157-L161 HydrophobicContact CG-CD1 4.11Å; R157-L161 HydrophobicContact CG-CG 4.45Å; R157-L161 VanDerWaalsContact O-CG 3.27Å; R157-L161 WeakPolarHBondContact O-CG 3.39Å; R157-L161 PolarHBondContact O-N 2.82Å
158R95.8Very high96Very high118 Ų11844 Ų4445%0.44521%0.214SC..Hα-helixtrans-55.1-52.1178.7176.2170.956.390.3-4.8111.6A154 G160 L161 E162 E263A154-R158 WeakPolarHBondContact O-CB 3.4Å; A154-R158 PolarHBondContact O-N 3.17Å; R158-G160 PolarHBondContact O-N 2.82Å; R158-L161 WeakPolarHBondContact O-CB 3.41Å; R158-L161 PolarHBondContact O-N 2.96Å; R158-E162 WeakPolarHBondContact CG-OE1 3.44Å; R158-E162 IonicContact NH1-OE1 3.77Å; R158-E162 WeakPolarHBondContact O-CG 3.21Å; R158-E162 PolarHBondContact O-N 3.28Å; R158-E263 IonicContact CZ-OE2 2.76Å; R158-E263 IonicContact NE-OE2 2.68Å; R158-E263 IonicContact NH2-OE1 3.67Å; R158-E263 IonicContact NH2-OE2 3.61Å; R158-E263 PolarHBondContact NH2-OE2 2.8Å
159R95.6Very high96.2Very high97 Ų9749.7 Ų49.737%0.36624%0.241SC..Hα-helixtrans-63.3-39.3178.5-70-176.466.6-164.4-2.9113G155 V156 R157 L161 E162 Q163 L246G155-R159 WeakPolarHBondContact O-CG 3.45Å; G155-R159 PolarHBondContact O-N 2.96Å; V156-R159 PolarHBondContact O-N 3.09Å; R157-R159 PolarHBondContact O-N 3.16Å; R159-L161 VanDerWaalsContact C-N 3.35Å; R159-E162 PolarHBondContact O-N 2.73Å; R159-Q163 VanDerWaalsContact O-CG 3.3Å; R159-Q163 WeakPolarHBondContact O-CG 3.4Å; R159-Q163 PolarHBondContact O-N 3.37Å; R159-L246 HydrophobicContact CB-CD1 4.18Å; R159-L246 HydrophobicContact CB-CD2 3.74Å
160G95.8Very high96.2Very high4 Ų450.2 Ų50.24%0.04124%0.242CC..Hα-helixtrans-64.1-39.1175.800000112.7V156 R157 R158 Q163 R164V156-G160 PolarHBondContact O-N 2.86Å; R157-G160 PolarHBondContact O-N 3.48Å; R158-G160 PolarHBondContact O-N 2.82Å; G160-Q163 PolarHBondContact O-N 2.88Å; G160-R164 WeakPolarHBondContact O-CB 3.1Å; G160-R164 PolarHBondContact O-N 2.87Å
161L96.2Very high96.3Very high63 Ų6348.1 Ų48.133%0.3323%0.229SC..Hα-helixtrans-65.2-44.6173.8-69.2175.5000111.8R157 R158 R159 Q163 R164 E165R157-L161 HydrophobicContact CG-CD1 4.11Å; R157-L161 HydrophobicContact CG-CG 4.45Å; R157-L161 VanDerWaalsContact O-CG 3.27Å; R157-L161 WeakPolarHBondContact O-CG 3.39Å; R157-L161 PolarHBondContact O-N 2.82Å; R158-L161 WeakPolarHBondContact O-CB 3.41Å; R158-L161 PolarHBondContact O-N 2.96Å; R159-L161 VanDerWaalsContact C-N 3.35Å; L161-Q163 VanDerWaalsContact C-N 3.34Å; L161-Q163 PolarHBondContact O-N 3.19Å; L161-R164 PolarHBondContact O-N 2.98Å; L161-E165 WeakPolarHBondContact O-CB 3.47Å; L161-E165 PolarHBondContact O-N 3.11Å
162E96.8Very high96.3Very high106 Ų10651.5 Ų51.550%0.49525%0.253SS..Hα-helixtrans-57.5-45.8174.5-71.2164.1-176.100111.3R158 R159 R164 E165 A166R158-E162 WeakPolarHBondContact CG-OE1 3.44Å; R158-E162 IonicContact NH1-OE1 3.77Å; R158-E162 WeakPolarHBondContact O-CG 3.21Å; R158-E162 PolarHBondContact O-N 3.28Å; R159-E162 PolarHBondContact O-N 2.73Å; E162-R164 PolarHBondContact O-N 3.48Å; E162-E165 PolarHBondContact O-N 2.98Å; E162-A166 WeakPolarHBondContact O-CB 3.44Å; E162-A166 PolarHBondContact O-N 3.24Å
163Q96.2Very high96.3Very high30 Ų3055.3 Ų55.314%0.1428%0.28CS..Hα-helixtrans-61.2-44.1175.7-70.3175.5-2400111.8T142 R159 G160 L161 E165 A166 V167 W202 L246T142-Q163 HydrophobicContact CG2-CB 3.6Å; R159-Q163 VanDerWaalsContact O-CG 3.3Å; R159-Q163 WeakPolarHBondContact O-CG 3.4Å; R159-Q163 PolarHBondContact O-N 3.37Å; G160-Q163 PolarHBondContact O-N 2.88Å; L161-Q163 VanDerWaalsContact C-N 3.34Å; L161-Q163 PolarHBondContact O-N 3.19Å; Q163-E165 VanDerWaalsContact C-N 3.35Å; Q163-A166 PolarHBondContact O-N 3.02Å; Q163-V167 WeakPolarHBondContact O-CG2 3.2Å; Q163-V167 PolarHBondContact O-N 3.39Å; Q163-V167 VanDerWaalsContact O-N 3.17Å; Q163-W202 HydrophobicContact CB-CH2 4.01Å; Q163-W202 HydrophobicContact CB-CZ3 4.49Å; Q163-W202 HydrophobicContact CG-CH2 3.81Å; Q163-L246 PolarHBondContact NE2-O 3.31Å; Q163-L246 VanDerWaalsContact NE2-O 3.12Å
164R95.8Very high96.3Very high19 Ų1956 Ų567%0.07228%0.283CS..Hα-helixtrans-64.5-40.7179.8-172.7168.662.3165.910111.7F144 E146 G160 L161 E162 V167 R168F144-R164 PolarHBondContact O-NH1 2.92Å; E146-R164 IonicContact OE1-CZ 2.82Å; E146-R164 IonicContact OE1-NH1 3.47Å; E146-R164 PolarHBondContact OE1-NH1 3.45Å; E146-R164 IonicContact OE1-NH2 2.88Å; E146-R164 PolarHBondContact OE1-NH2 3.33Å; E146-R164 IonicContact OE2-CZ 3.64Å; E146-R164 IonicContact OE2-NH1 2.88Å; E146-R164 IonicContact OE2-NH2 3.32Å; E146-R164 PolarHBondContact OE2-NH2 2.73Å; G160-R164 WeakPolarHBondContact O-CB 3.1Å; G160-R164 PolarHBondContact O-N 2.87Å; L161-R164 PolarHBondContact O-N 2.98Å; E162-R164 PolarHBondContact O-N 3.48Å; R164-V167 PolarHBondContact O-N 3.33Å; R164-R168 WeakPolarHBondContact O-CG 3.47Å; R164-R168 PolarHBondContact O-N 2.94Å; R164-R168 VanDerWaalsContact O-N 3.1Å
165E96.9Very high96.5Very high99 Ų9956.4 Ų56.446%0.46328%0.276SS..Hα-helixtrans-67.8-41.1177-16355.7-147.600111.7L161 E162 Q163 V167 R168 E169L161-E165 WeakPolarHBondContact O-CB 3.47Å; L161-E165 PolarHBondContact O-N 3.11Å; E162-E165 PolarHBondContact O-N 2.98Å; Q163-E165 VanDerWaalsContact C-N 3.35Å; E165-V167 VanDerWaalsContact C-N 3.26Å; E165-V167 PolarHBondContact O-N 3.41Å; E165-R168 WeakPolarHBondContact O-CB 3.28Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-R168 IonicContact OE2-NH1 2.77Å; E165-R168 PolarHBondContact OE2-NH1 2.95Å; E165-R168 VanDerWaalsContact OE2-NH1 3.1Å; E165-E169 WeakPolarHBondContact O-CB 3.31Å; E165-E169 PolarHBondContact O-N 2.9Å
166A96.8Very high96.7Very high42 Ų4262.3 Ų62.335%0.34730%0.301SS..Hα-helixtrans-58.3-37.1175.100000112.9E162 Q163 M170E162-A166 WeakPolarHBondContact O-CB 3.44Å; E162-A166 PolarHBondContact O-N 3.24Å; Q163-A166 PolarHBondContact O-N 3.02Å; A166-M170 VanDerWaalsContact O-CB 3.3Å; A166-M170 WeakPolarHBondContact O-CB 3.45Å; A166-M170 PolarHBondContact O-N 3.38Å
167V97.4Very high96.8Very high0 Ų062.3 Ų62.30%030%0.301CS..Hα-helixtrans-69.4-42.6174.3179.80000111.2Q163 R164 E165 M170 H171 Y195 R199 W202Q163-V167 WeakPolarHBondContact O-CG2 3.2Å; Q163-V167 PolarHBondContact O-N 3.39Å; Q163-V167 VanDerWaalsContact O-N 3.17Å; R164-V167 PolarHBondContact O-N 3.33Å; E165-V167 VanDerWaalsContact C-N 3.26Å; E165-V167 PolarHBondContact O-N 3.41Å; V167-M170 PolarHBondContact O-N 3.2Å; V167-H171 PolarHBondContact O-N 3.03Å; V167-Y195 HydrophobicContact CB-CE2 4.24Å; V167-Y195 HydrophobicContact CG1-CD2 4.14Å; V167-Y195 HydrophobicContact CG1-CE2 3.67Å; V167-R199 HydrophobicContact CG1-CB 3.86Å; V167-R199 HydrophobicContact CG1-CG 4.35Å; V167-W202 HydrophobicContact CG2-CB 3.97Å; V167-W202 HydrophobicContact CG2-CD2 3.61Å; V167-W202 HydrophobicContact CG2-CE3 4.12Å; V167-W202 HydrophobicContact CG2-CG 3.52Å
168R97.6Very high96.8Very high93 Ų9358.2 Ų58.235%0.35129%0.286SS..Hα-helixtrans-61.4-47.2177.5-74.3178.2-175.3149.4-5111.4R164 E165 H171 S172 Y195R164-R168 WeakPolarHBondContact O-CG 3.47Å; R164-R168 PolarHBondContact O-N 2.94Å; R164-R168 VanDerWaalsContact O-N 3.1Å; E165-R168 WeakPolarHBondContact O-CB 3.28Å; E165-R168 PolarHBondContact O-N 2.95Å; E165-R168 IonicContact OE2-NH1 2.77Å; E165-R168 PolarHBondContact OE2-NH1 2.95Å; E165-R168 VanDerWaalsContact OE2-NH1 3.1Å; R168-H171 PolarHBondContact O-N 3.37Å; R168-S172 WeakPolarHBondContact O-CB 3.3Å; R168-S172 PolarHBondContact O-N 3.15Å; R168-S172 PolarHBondContact O-OG 2.91Å; R168-S172 VanDerWaalsContact O-OG 3.1Å; R168-Y195 HydrophobicContact CB-CE2 4.34Å; R168-Y195 HydrophobicContact CG-CD2 4.25Å; R168-Y195 HydrophobicContact CG-CE2 3.5Å; R168-Y195 VanDerWaalsContact CG-CE2 3.5Å
169E97.5Very high96.9Very high119 Ų11959.3 Ų59.356%0.55629%0.29SS*.Hα-helixtrans-61.6-45.1176.6-172.7178.4-172.900111E165 H171 S172 S173E165-E169 WeakPolarHBondContact O-CB 3.31Å; E165-E169 PolarHBondContact O-N 2.9Å; E169-H171 VanDerWaalsContact C-N 3.27Å; E169-H171 PolarHBondContact O-N 2.96Å; E169-S172 PolarHBondContact O-N 2.59Å; E169-S172 PolarHBondContact O-OG 2.92Å; E169-S173 VanDerWaalsContact O-CB 3.23Å; E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 3.49Å; E169-S173 PolarHBondContact O-OG 2.96Å; E169-S173 VanDerWaalsContact O-OG 3.12Å
170M97.1Very high97Very high18 Ų1857 Ų579%0.08929%0.287CS..Hα-helixtrans-55.6-42.5174.1178.7-177.4-64.300112.2L108 C112 A166 V167 N174L108-M170 HydrophobicContact CB-CE 4.38Å; L108-M170 HydrophobicContact CD2-CE 3.76Å; L108-M170 HydrophobicContact CG-CE 3.69Å; C112-M170 HydrophobicContact CB-SD 4.09Å; A166-M170 VanDerWaalsContact O-CB 3.3Å; A166-M170 WeakPolarHBondContact O-CB 3.45Å; A166-M170 PolarHBondContact O-N 3.38Å; V167-M170 PolarHBondContact O-N 3.2Å; M170-N174 WeakPolarHBondContact O-CB 3.37Å; M170-N174 PolarHBondContact O-ND2 2.81Å
171H97.7Very high97.1Very high40 Ų4056.8 Ų56.819%0.18529%0.285CS..Hα-helixtrans-72.1-49.2178.4175.5-96.7000111.9V167 R168 E169 Q175 L193 Y195 L198V167-H171 PolarHBondContact O-N 3.03Å; R168-H171 PolarHBondContact O-N 3.37Å; E169-H171 VanDerWaalsContact C-N 3.27Å; E169-H171 PolarHBondContact O-N 2.96Å; H171-Q175 PolarHBondContact CE1-NE2 3.48Å; H171-Q175 PolarHBondContact NE2-NE2 3.39Å; H171-Q175 VanDerWaalsContact NE2-NE2 3.15Å; H171-Q175 PolarHBondContact O-NE2 3.38Å; H171-L193 PolarHBondContact CD2-O 2.87Å; H171-L193 VanDerWaalsContact CD2-O 3.3Å; H171-L193 PolarHBondContact NE2-O 2.81Å; H171-Y195 HydrophobicContact CB-CD2 4.4Å; H171-Y195 PolarHBondContact CD2-N 3.23Å; H171-Y195 PolarHBondContact NE2-N 3.07Å; H171-L198 HydrophobicContact CB-CD1 3.93Å
172S97.3Very high97.1Very high73 Ų7357 Ų5751%0.5128%0.284SS..Hα-helixtrans-70.8-39.5-173.164.50000112.9R168 E169 N174 Q175R168-S172 WeakPolarHBondContact O-CB 3.3Å; R168-S172 PolarHBondContact O-N 3.15Å; R168-S172 PolarHBondContact O-OG 2.91Å; R168-S172 VanDerWaalsContact O-OG 3.1Å; E169-S172 PolarHBondContact O-N 2.59Å; E169-S172 PolarHBondContact O-OG 2.92Å; S172-N174 VanDerWaalsContact C-N 3.3Å; S172-N174 PolarHBondContact O-N 3.05Å; S172-Q175 WeakPolarHBondContact O-CG 3.26Å
173S96.3Very high97.1Very high82 Ų8256.8 Ų56.857%0.57329%0.292SS*.Hα-helixtrans-76.3-14.1-177.7-57.30000113.9E169E169-S173 VanDerWaalsContact O-CB 3.23Å; E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 3.49Å; E169-S173 PolarHBondContact O-OG 2.96Å; E169-S173 VanDerWaalsContact O-OG 3.12Å
174N96.6Very high97.1Very high23 Ų2357.4 Ų57.412%0.12330%0.297CS..THydrogen-bonded Turntrans-10911.7-177.1-67.3-75.7000113.9L105 M170 S172 E176 F177 F178L105-N174 WeakPolarHBondContact CD2-OD1 3.41Å; M170-N174 WeakPolarHBondContact O-CB 3.37Å; M170-N174 PolarHBondContact O-ND2 2.81Å; S172-N174 VanDerWaalsContact C-N 3.3Å; S172-N174 PolarHBondContact O-N 3.05Å; N174-E176 VanDerWaalsContact C-N 3.32Å; N174-E176 PolarHBondContact O-N 2.76Å; N174-F177 WeakPolarHBondContact O-CB 3.49Å; N174-F177 PolarHBondContact O-N 2.93Å; N174-F178 HydrophobicContact CB-CD1 4.22Å; N174-F178 HydrophobicContact CB-CE1 3.53Å; N174-F178 HydrophobicContact CB-CE2 4.11Å; N174-F178 HydrophobicContact CB-CZ 3.45Å; N174-F178 VanDerWaalsContact CB-CZ 3.45Å; N174-F178 VanDerWaalsContact O-CD1 3.27Å; N174-F178 WeakPolarHBondContact O-CD1 3.32Å; N174-F178 WeakPolarHBondContact O-CD2 3.46Å; N174-F178 WeakPolarHBondContact O-CG 3.46Å; N174-F178 PolarHBondContact O-N 2.95Å
175Q97Very high97Very high61 Ų6157.7 Ų57.729%0.28530%0.3SS..Hα-helixtrans-57.7-40.4-178.4-69.5-64.8-54.100113.6H171 S172 F178 R179H171-Q175 PolarHBondContact CE1-NE2 3.48Å; H171-Q175 PolarHBondContact NE2-NE2 3.39Å; H171-Q175 VanDerWaalsContact NE2-NE2 3.15Å; H171-Q175 PolarHBondContact O-NE2 3.38Å; S172-Q175 WeakPolarHBondContact O-CG 3.26Å; Q175-F178 PolarHBondContact O-N 3.42Å; Q175-R179 WeakPolarHBondContact O-CG 3.31Å; Q175-R179 PolarHBondContact O-N 2.86Å
176E97.5Very high96.7Very high131 Ų13158.1 Ų58.161%0.61232%0.315SS*.Hα-helixtrans-68-40.6179.3-161.7-175.9174.900111.8W101 N174 F178 R179W101-E176 HydrophobicContact CH2-CB 3.74Å; W101-E176 HydrophobicContact CH2-CG 3.65Å; W101-E176 HydrophobicContact CZ2-CB 4.17Å; W101-E176 HydrophobicContact CZ3-CG 4.46Å; N174-E176 VanDerWaalsContact C-N 3.32Å; N174-E176 PolarHBondContact O-N 2.76Å; E176-F178 VanDerWaalsContact C-N 3.34Å; E176-F178 PolarHBondContact O-N 3.12Å; E176-R179 PolarHBondContact O-N 3.46Å
177F97.9Very high96.6Very high1 Ų160 Ų600%0.00432%0.316CS..Hα-helixtrans-59-46.3172.2171.9-113.5000111.1I98 W101 L105 V113 N174 R179 T180 L181I98-F177 HydrophobicContact CG1-CE2 4.26Å; I98-F177 HydrophobicContact CG1-CZ 3.71Å; W101-F177 HydrophobicContact CB-CD2 3.83Å; W101-F177 HydrophobicContact CB-CE2 4.09Å; W101-F177 AromaticContact CD1-CD2 3.77Å; W101-F177 HydrophobicContact CD2-CB 3.89Å; W101-F177 AromaticContact CD2-CD2 3.6Å; W101-F177 HydrophobicContact CD2-CD2 3.6Å; W101-F177 HydrophobicContact CD2-CG 4.18Å; W101-F177 HydrophobicContact CE3-CB 4.4Å; W101-F177 HydrophobicContact CE3-CD2 4.05Å; W101-F177 HydrophobicContact CG-CB 4.34Å; W101-F177 AromaticContact CG-CD2 3.45Å; W101-F177 HydrophobicContact CG-CD2 3.45Å; W101-F177 VanDerWaalsContact CG-CD2 3.45Å; W101-F177 HydrophobicContact CG-CE2 4.18Å; W101-F177 HydrophobicContact CG-CG 4.19Å; W101-F177 HydrophobicContact CH2-CB 4.33Å; W101-F177 HydrophobicContact CZ2-CB 3.78Å; L105-F177 HydrophobicContact CD1-CD1 3.78Å; L105-F177 HydrophobicContact CD1-CD2 4.41Å; L105-F177 HydrophobicContact CD1-CE1 3.39Å; L105-F177 HydrophobicContact CD1-CE2 4.06Å; L105-F177 HydrophobicContact CD1-CG 4.29Å; L105-F177 HydrophobicContact CD1-CZ 3.55Å; L105-F177 HydrophobicContact CD2-CD1 3.99Å; L105-F177 HydrophobicContact CD2-CE1 4.45Å; L105-F177 HydrophobicContact CD2-CG 4.14Å; L105-F177 HydrophobicContact CG-CD1 4.47Å; L105-F177 HydrophobicContact CG-CE1 4.49Å; V113-F177 HydrophobicContact CG1-CE1 4.32Å; V113-F177 HydrophobicContact CG2-CE1 4.36Å; N174-F177 WeakPolarHBondContact O-CB 3.49Å; N174-F177 PolarHBondContact O-N 2.93Å; F177-R179 VanDerWaalsContact C-N 3.28Å; F177-R179 PolarHBondContact O-N 3.47Å; F177-T180 WeakPolarHBondContact O-CB 3.46Å; F177-T180 PolarHBondContact O-N 2.65Å; F177-T180 PolarHBondContact O-OG1 3.29Å; F177-L181 HydrophobicContact CE1-CD1 3.84Å; F177-L181 HydrophobicContact CE1-CG 4.44Å; F177-L181 HydrophobicContact CE2-CD2 4.23Å; F177-L181 HydrophobicContact CZ-CD1 3.93Å; F177-L181 HydrophobicContact CZ-CD2 3.97Å; F177-L181 HydrophobicContact CZ-CG 4.2Å
178F97.7Very high96.6Very high4 Ų463 Ų632%0.01834%0.335CS..Hα-helixtrans-55.9-42.4-179.7-63.3-15000112.1V113 N174 Q175 E176 T180 L181 I189 L193 L198V113-F178 HydrophobicContact CG2-CD1 4.3Å; V113-F178 HydrophobicContact CG2-CE1 3.59Å; V113-F178 HydrophobicContact CG2-CZ 4.39Å; N174-F178 HydrophobicContact CB-CD1 4.22Å; N174-F178 HydrophobicContact CB-CE1 3.53Å; N174-F178 HydrophobicContact CB-CE2 4.11Å; N174-F178 HydrophobicContact CB-CZ 3.45Å; N174-F178 VanDerWaalsContact CB-CZ 3.45Å; N174-F178 VanDerWaalsContact O-CD1 3.27Å; N174-F178 WeakPolarHBondContact O-CD1 3.32Å; N174-F178 WeakPolarHBondContact O-CD2 3.46Å; N174-F178 WeakPolarHBondContact O-CG 3.46Å; N174-F178 PolarHBondContact O-N 2.95Å; Q175-F178 PolarHBondContact O-N 3.42Å; E176-F178 VanDerWaalsContact C-N 3.34Å; E176-F178 PolarHBondContact O-N 3.12Å; F178-T180 PolarHBondContact O-N 3.25Å; F178-L181 WeakPolarHBondContact O-CB 3.47Å; F178-L181 PolarHBondContact O-N 3.15Å; F178-I189 HydrophobicContact CB-CD1 4.01Å; F178-I189 HydrophobicContact CB-CG1 3.78Å; F178-I189 WeakPolarHBondContact O-CD1 3.47Å; F178-I189 WeakPolarHBondContact O-CG1 3.43Å; F178-L193 HydrophobicContact CB-CD1 3.79Å; F178-L193 HydrophobicContact CD1-CD1 3.44Å; F178-L193 VanDerWaalsContact CD1-CD1 3.44Å; F178-L193 HydrophobicContact CD2-CB 4.07Å; F178-L193 HydrophobicContact CD2-CD1 4.2Å; F178-L193 HydrophobicContact CE1-CD1 4.08Å; F178-L193 HydrophobicContact CE2-CB 4.45Å; F178-L193 HydrophobicContact CG-CB 4.23Å; F178-L193 HydrophobicContact CG-CD1 3.53Å; F178-L198 HydrophobicContact CE2-CD1 3.76Å; F178-L198 HydrophobicContact CZ-CD1 3.51Å
179R97.1Very high96.4Very high140 Ų14059 Ų5953%0.52832%0.321SS..Hα-helixtrans-58.7-31.7177.9-67.2179-164.7116.15.3113.2Q175 E176 F177 L181 Q182Q175-R179 WeakPolarHBondContact O-CG 3.31Å; Q175-R179 PolarHBondContact O-N 2.86Å; E176-R179 PolarHBondContact O-N 3.46Å; F177-R179 VanDerWaalsContact C-N 3.28Å; F177-R179 PolarHBondContact O-N 3.47Å; R179-L181 PolarHBondContact O-N 3.46Å; R179-Q182 WeakPolarHBondContact O-CB 3.42Å; R179-Q182 PolarHBondContact O-N 3.48Å
180T97.7Very high96.3Very high48 Ų4859.2 Ų59.229%0.29432%0.322SS..Hα-helixtrans-64.3-22.5176.875.20000112.7Y97 W101 F177 F178 P183Y97-T180 WeakPolarHBondContact CD1-O 3.49Å; Y97-T180 WeakPolarHBondContact CE1-O 3.46Å; W101-T180 HydrophobicContact CE3-CG2 3.92Å; W101-T180 HydrophobicContact CZ3-CG2 3.67Å; F177-T180 WeakPolarHBondContact O-CB 3.46Å; F177-T180 PolarHBondContact O-N 2.65Å; F177-T180 PolarHBondContact O-OG1 3.29Å; F178-T180 PolarHBondContact O-N 3.25Å; T180-P183 VanDerWaalsContact O-CD 3.24Å; T180-P183 WeakPolarHBondContact O-CD 3.13Å
181L97.6Very high96.2Very high0 Ų063.3 Ų63.30%034%0.344CS..THydrogen-bonded Turntrans-85.4-8-178-54.4-177000113.4L94 Y97 V113 F177 F178 R179 P183 V184 L185 I189 L193L94-L181 HydrophobicContact CD2-CD1 4.26Å; L94-L181 HydrophobicContact CD2-CD2 3.9Å; Y97-L181 VanDerWaalsContact CB-CD2 3.48Å; Y97-L181 HydrophobicContact CD1-CD2 3.95Å; Y97-L181 HydrophobicContact CD2-CD2 4.19Å; Y97-L181 HydrophobicContact CG-CD2 3.61Å; V113-L181 HydrophobicContact CG1-CD1 3.61Å; F177-L181 HydrophobicContact CE1-CD1 3.84Å; F177-L181 HydrophobicContact CE1-CG 4.44Å; F177-L181 HydrophobicContact CE2-CD2 4.23Å; F177-L181 HydrophobicContact CZ-CD1 3.93Å; F177-L181 HydrophobicContact CZ-CD2 3.97Å; F177-L181 HydrophobicContact CZ-CG 4.2Å; F178-L181 WeakPolarHBondContact O-CB 3.47Å; F178-L181 PolarHBondContact O-N 3.15Å; R179-L181 PolarHBondContact O-N 3.46Å; L181-P183 VanDerWaalsContact C-N 3.28Å; L181-P183 VanDerWaalsContact O-N 3.15Å; L181-V184 HydrophobicContact CB-CG2 4.32Å; L181-V184 WeakPolarHBondContact O-CG2 3.34Å; L181-V184 PolarHBondContact O-N 3.24Å; L181-L185 PolarHBondContact O-N 3.05Å; L181-I189 HydrophobicContact CB-CD1 4.4Å; L181-L193 HydrophobicContact CD1-CD1 4.07Å
182Q96.8Very high96.2Very high67 Ų6761.5 Ų61.531%0.31334%0.336SS..G310 helixtrans-49.8-40.6-179.8-173.761.172.400114.2R179 V184 L185 Q187R179-Q182 WeakPolarHBondContact O-CB 3.42Å; R179-Q182 PolarHBondContact O-N 3.48Å; Q182-V184 PolarHBondContact O-N 3.32Å; Q182-V184 VanDerWaalsContact O-N 3.17Å; Q182-L185 PolarHBondContact O-N 3.41Å; Q182-L185 VanDerWaalsContact O-N 3.15Å; Q182-Q187 PolarHBondContact NE2-O 3.02Å
183P96.9Very high96.2Very high102 Ų10258.2 Ų58.266%0.66231%0.313SS*.G310 helixtrans-63.2-21.1-179.4-23.735.7000115T180 L181T180-P183 VanDerWaalsContact O-CD 3.24Å; T180-P183 WeakPolarHBondContact O-CD 3.13Å; L181-P183 VanDerWaalsContact C-N 3.28Å; L181-P183 VanDerWaalsContact O-N 3.15Å
184V95.3Very high96.3Very high43 Ų4356.1 Ų56.126%0.26130%0.296SS..G310 helixtrans-102.52.5179.7-62.80000113.1Y93 L94 Y97 L181 Q182Y93-V184 HydrophobicContact CD2-CB 3.92Å; Y93-V184 HydrophobicContact CD2-CG1 4.22Å; Y93-V184 HydrophobicContact CD2-CG2 4.08Å; Y93-V184 HydrophobicContact CE2-CB 4Å; Y93-V184 HydrophobicContact CE2-CG2 3.9Å; L94-V184 HydrophobicContact CD2-CG2 3.92Å; Y97-V184 HydrophobicContact CE2-CG1 3.65Å; Y97-V184 HydrophobicContact CE2-CG2 4.39Å; L181-V184 HydrophobicContact CB-CG2 4.32Å; L181-V184 WeakPolarHBondContact O-CG2 3.34Å; L181-V184 PolarHBondContact O-N 3.24Å; Q182-V184 PolarHBondContact O-N 3.32Å; Q182-V184 VanDerWaalsContact O-N 3.17Å
185L94.4Very high96.4Very high25 Ų2557 Ų5713%0.13130%0.298CS..  trans-106.9140.1177.7-62.9179.6000110.9C117 L181 Q182 Q187 I189 V192C117-L185 HydrophobicContact CB-CD2 4.38Å; L181-L185 PolarHBondContact O-N 3.05Å; Q182-L185 PolarHBondContact O-N 3.41Å; Q182-L185 VanDerWaalsContact O-N 3.15Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-I189 HydrophobicContact CD1-CD1 3.29Å; L185-V192 HydrophobicContact CD1-CB 4.22Å; L185-V192 HydrophobicContact CD1-CG1 4.22Å; L185-V192 HydrophobicContact CD1-CG2 4.47Å; L185-V192 HydrophobicContact CD2-CG1 4.29Å
186S91.1Very high96.4Very high109 Ų10959.4 Ų59.476%0.76231%0.309SS*.SBendtrans-81.8-11.7176.857.60000113.7
187Q94.6Very high96.4Very high82 Ų8254.1 Ų54.138%0.38329%0.288SS..SBendtrans-128.1161.5-178.9-72.3-179.528.900109.8Q182 L185 V192Q182-Q187 PolarHBondContact NE2-O 3.02Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; Q187-V192 HydrophobicContact CB-CG2 3.72Å
188P96.4Very high96.4Very high61 Ų6154.1 Ų54.140%0.39629%0.288SS..  trans-53.7140.8174.7-25.435.6000111.9E190 D191 V192P188-E190 PolarHBondContact O-N 2.89Å; P188-D191 WeakPolarHBondContact CD-OD2 3.31Å; P188-D191 WeakPolarHBondContact CG-OD2 3.16Å; P188-D191 PolarHBondContact O-N 2.78Å; P188-V192 WeakPolarHBondContact O-CG2 3.37Å; P188-V192 PolarHBondContact O-N 2.82Å
189I94.8Very high96.4Very high11 Ų1156 Ų566%0.05630%0.296CS..Hα-helixtrans-58.8-34.2-177.7-171.369.6000111.8F178 L181 L185 D191 V192 L193F178-I189 HydrophobicContact CB-CD1 4.01Å; F178-I189 HydrophobicContact CB-CG1 3.78Å; F178-I189 WeakPolarHBondContact O-CD1 3.47Å; F178-I189 WeakPolarHBondContact O-CG1 3.43Å; L181-I189 HydrophobicContact CB-CD1 4.4Å; L185-I189 HydrophobicContact CD1-CD1 3.29Å; I189-D191 PolarHBondContact O-N 3.07Å; I189-V192 PolarHBondContact O-N 2.98Å; I189-L193 HydrophobicContact CD1-CB 4.17Å; I189-L193 HydrophobicContact CD1-CD1 3.52Å; I189-L193 HydrophobicContact CD1-CG 3.81Å; I189-L193 HydrophobicContact CG1-CD1 4.45Å; I189-L193 PolarHBondContact O-N 2.82Å
190E94.3Very high96.5Very high123 Ų12349.8 Ų49.858%0.57527%0.272SS*.Hα-helixtrans-66.2-26178.7-60.477.7-168.100112.6P188 T194P188-E190 PolarHBondContact O-N 2.89Å; E190-T194 WeakPolarHBondContact O-CG2 3.34Å
191D96.1Very high96.5Very high103 Ų10347.5 Ų47.555%0.55126%0.258SS*.Hα-helixtrans-89.6-24.1177.9-62.9-33.7000111.9P188 I189P188-D191 WeakPolarHBondContact CD-OD2 3.31Å; P188-D191 WeakPolarHBondContact CG-OD2 3.16Å; P188-D191 PolarHBondContact O-N 2.78Å; I189-D191 PolarHBondContact O-N 3.07Å
192V97.2Very high96.5Very high3 Ų348.4 Ų48.42%0.01826%0.261CS..Hα-helixtrans-93.7-58.9-176.5179.80000111.9V116 Q120 L185 Q187 P188 I189 T194 A197V116-V192 HydrophobicContact CG1-CG1 4.09Å; V116-V192 WeakPolarHBondContact CG1-O 3.47Å; Q120-V192 HydrophobicContact CB-CG1 4.28Å; Q120-V192 HydrophobicContact CG-CG1 4.29Å; Q120-V192 HydrophobicContact CG-CG2 4.15Å; L185-V192 HydrophobicContact CD1-CB 4.22Å; L185-V192 HydrophobicContact CD1-CG1 4.22Å; L185-V192 HydrophobicContact CD1-CG2 4.47Å; L185-V192 HydrophobicContact CD2-CG1 4.29Å; Q187-V192 HydrophobicContact CB-CG2 3.72Å; P188-V192 WeakPolarHBondContact O-CG2 3.37Å; P188-V192 PolarHBondContact O-N 2.82Å; I189-V192 PolarHBondContact O-N 2.98Å; V192-T194 PolarHBondContact O-N 2.81Å; V192-T194 VanDerWaalsContact O-N 3.15Å; V192-A197 WeakPolarHBondContact O-CB 3.42Å
193L97.8Very high96.5Very high3 Ų345.2 Ų45.22%0.01625%0.246CC..SBendtrans-91.750.4-175.9-66.2-175000111.7V113 V116 H171 F178 L181 I189V113-L193 HydrophobicContact CG1-CD1 4.19Å; V113-L193 HydrophobicContact CG1-CD2 4.35Å; V116-L193 HydrophobicContact CB-CD2 3.8Å; V116-L193 HydrophobicContact CG1-CD2 3.65Å; V116-L193 HydrophobicContact CG2-CD2 4.48Å; H171-L193 PolarHBondContact CD2-O 2.87Å; H171-L193 VanDerWaalsContact CD2-O 3.3Å; H171-L193 PolarHBondContact NE2-O 2.81Å; F178-L193 HydrophobicContact CB-CD1 3.79Å; F178-L193 HydrophobicContact CD1-CD1 3.44Å; F178-L193 VanDerWaalsContact CD1-CD1 3.44Å; F178-L193 HydrophobicContact CD2-CB 4.07Å; F178-L193 HydrophobicContact CD2-CD1 4.2Å; F178-L193 HydrophobicContact CE1-CD1 4.08Å; F178-L193 HydrophobicContact CE2-CB 4.45Å; F178-L193 HydrophobicContact CG-CB 4.23Å; F178-L193 HydrophobicContact CG-CD1 3.53Å; L181-L193 HydrophobicContact CD1-CD1 4.07Å; I189-L193 HydrophobicContact CD1-CB 4.17Å; I189-L193 HydrophobicContact CD1-CD1 3.52Å; I189-L193 HydrophobicContact CD1-CG 3.81Å; I189-L193 HydrophobicContact CG1-CD1 4.45Å; I189-L193 PolarHBondContact O-N 2.82Å
194T98.2Very high96.5Very high38 Ų3840.4 Ų40.423%0.23322%0.215CC..  trans-68.9162.2175.458.90000112.1E190 V192 E196 A197 L198E190-T194 WeakPolarHBondContact O-CG2 3.34Å; V192-T194 PolarHBondContact O-N 2.81Å; V192-T194 VanDerWaalsContact O-N 3.15Å; T194-E196 PolarHBondContact O-N 3.49Å; T194-A197 PolarHBondContact O-N 2.92Å; T194-A197 VanDerWaalsContact OG1-CB 3.25Å; T194-A197 WeakPolarHBondContact OG1-CB 3.4Å; T194-A197 PolarHBondContact OG1-N 2.93Å; T194-A197 VanDerWaalsContact OG1-N 3.08Å; T194-L198 PolarHBondContact O-N 3.42Å
195Y97.8Very high96.6Very high43 Ų4338.3 Ų38.317%0.16920%0.203CC..Hα-helixtrans-56.6-40.8170.6169.3-103.5000111.5V167 R168 H171 R199V167-Y195 HydrophobicContact CB-CE2 4.24Å; V167-Y195 HydrophobicContact CG1-CD2 4.14Å; V167-Y195 HydrophobicContact CG1-CE2 3.67Å; R168-Y195 HydrophobicContact CB-CE2 4.34Å; R168-Y195 HydrophobicContact CG-CD2 4.25Å; R168-Y195 HydrophobicContact CG-CE2 3.5Å; R168-Y195 VanDerWaalsContact CG-CE2 3.5Å; H171-Y195 HydrophobicContact CB-CD2 4.4Å; H171-Y195 PolarHBondContact CD2-N 3.23Å; H171-Y195 PolarHBondContact NE2-N 3.07Å; Y195-R199 VanDerWaalsContact O-CB 3.23Å; Y195-R199 WeakPolarHBondContact O-CB 3.44Å; Y195-R199 PolarHBondContact O-N 2.84Å
196E97.3Very high96.5Very high110 Ų11039.9 Ų39.951%0.51421%0.211SC..Hα-helixtrans-66-43.3179.9-67.971.3-159.800111.9T194 R199 W200T194-E196 PolarHBondContact O-N 3.49Å; E196-R199 PolarHBondContact O-N 3.18Å; E196-W200 PolarHBondContact O-N 3.41Å
197A98Very high96.5Very high21 Ų2135.6 Ų35.617%0.17418%0.18CC..Hα-helixtrans-66.1-45.4177.600000111.2V116 V192 T194 R199 W200 A201V116-A197 HydrophobicContact CG1-CB 3.72Å; V116-A197 HydrophobicContact CG2-CB 4Å; V116-A197 WeakPolarHBondContact CG2-O 3.28Å; V192-A197 WeakPolarHBondContact O-CB 3.42Å; T194-A197 PolarHBondContact O-N 2.92Å; T194-A197 VanDerWaalsContact OG1-CB 3.25Å; T194-A197 WeakPolarHBondContact OG1-CB 3.4Å; T194-A197 PolarHBondContact OG1-N 2.93Å; T194-A197 VanDerWaalsContact OG1-N 3.08Å; A197-R199 PolarHBondContact O-N 3.32Å; A197-W200 WeakPolarHBondContact O-CB 3.24Å; A197-W200 PolarHBondContact O-N 3.37Å; A197-A201 PolarHBondContact O-N 3.06Å
198L98Very high96.5Very high0 Ų033.3 Ų33.30%017%0.168CC..Hα-helixtrans-66.4-35.5174.9-77.4-177.1000112.7C112 V113 V116 H171 F178 T194 W200 A201 W202C112-L198 HydrophobicContact CB-CD2 3.99Å; V113-L198 HydrophobicContact CG2-CD2 4.38Å; V116-L198 HydrophobicContact CG2-CD2 4.04Å; H171-L198 HydrophobicContact CB-CD1 3.93Å; F178-L198 HydrophobicContact CE2-CD1 3.76Å; F178-L198 HydrophobicContact CZ-CD1 3.51Å; T194-L198 PolarHBondContact O-N 3.42Å; L198-W200 VanDerWaalsContact C-N 3.32Å; L198-W200 PolarHBondContact O-N 3Å; L198-A201 PolarHBondContact O-N 3.11Å; L198-W202 WeakPolarHBondContact O-CB 3.43Å; L198-W202 PolarHBondContact O-N 2.99Å
199R97.9Very high96.4Very high45 Ų4531.3 Ų31.317%0.1716%0.156CC..Hα-helixtrans-60.8-43.1173.5-177.7175.158.8175.5-3.3111.3T142 Y143 V167 Y195 E196 A197 C203T142-R199 VanDerWaalsContact O-CD 3.32Å; T142-R199 WeakPolarHBondContact O-CD 3.41Å; T142-R199 PolarHBondContact O-NH1 3.06Å; Y143-R199 VanDerWaalsContact CD1-CZ 3.41Å; Y143-R199 HydrophobicContact CD2-CG 4.43Å; Y143-R199 HydrophobicContact CE2-CG 3.84Å; V167-R199 HydrophobicContact CG1-CB 3.86Å; V167-R199 HydrophobicContact CG1-CG 4.35Å; Y195-R199 VanDerWaalsContact O-CB 3.23Å; Y195-R199 WeakPolarHBondContact O-CB 3.44Å; Y195-R199 PolarHBondContact O-N 2.84Å; E196-R199 PolarHBondContact O-N 3.18Å; A197-R199 PolarHBondContact O-N 3.32Å; R199-C203 WeakPolarHBondContact O-CB 3.32Å; R199-C203 PolarHBondContact O-N 3.46Å; R199-C203 PolarHBondContact O-SG 2.98Å
200W98.1Very high96.3Very high8 Ų833.4 Ų33.43%0.0317%0.169CC..Hα-helixtrans-62-46.4174.617088000111.7L115 R119 I131 L134 P135 Y138 Y143 E196 A197 L198 C203 S204L115-W200 HydrophobicContact CB-CZ3 4.16Å; R119-W200 HydrophobicContact CB-CH2 4.28Å; R119-W200 HydrophobicContact CB-CZ3 4.18Å; R119-W200 HydrophobicContact CG-CH2 4.39Å; R119-W200 HydrophobicContact CG-CZ3 4.48Å; I131-W200 HydrophobicContact CG2-CH2 4.09Å; L134-W200 HydrophobicContact CB-CZ2 4.12Å; L134-W200 HydrophobicContact CD1-CH2 3.93Å; L134-W200 HydrophobicContact CD1-CZ2 3.85Å; P135-W200 PolarHBondContact O-NE1 3.22Å; Y138-W200 AromaticContact CE2-CD1 3.67Å; Y138-W200 HydrophobicContact CE2-CG 4.39Å; Y138-W200 AromaticContact CE2-NE1 3.81Å; Y143-W200 WeakPolarHBondContact OH-CA 3.46Å; Y143-W200 PolarHBondContact OH-N 3.02Å; E196-W200 PolarHBondContact O-N 3.41Å; A197-W200 WeakPolarHBondContact O-CB 3.24Å; A197-W200 PolarHBondContact O-N 3.37Å; L198-W200 VanDerWaalsContact C-N 3.32Å; L198-W200 PolarHBondContact O-N 3Å; W200-C203 PolarHBondContact O-N 2.92Å; W200-S204 WeakPolarHBondContact O-CB 3.26Å; W200-S204 PolarHBondContact O-N 3.27Å; W200-S204 PolarHBondContact O-OG 2.93Å
201A98.4Very high96.1Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-65.9-41-179.900000111.5C112 L115 V116 A197 L198 C203 S204 V205C112-A201 HydrophobicContact CB-CB 3.98Å; C112-A201 WeakPolarHBondContact O-CB 3.34Å; L115-A201 HydrophobicContact CB-CB 4.04Å; L115-A201 HydrophobicContact CD1-CB 4.33Å; V116-A201 HydrophobicContact CG2-CB 3.67Å; A197-A201 PolarHBondContact O-N 3.06Å; L198-A201 PolarHBondContact O-N 3.11Å; A201-C203 PolarHBondContact O-N 3.44Å; A201-S204 WeakPolarHBondContact O-CA 3.39Å; A201-S204 WeakPolarHBondContact O-CB 3.34Å; A201-S204 PolarHBondContact O-N 3.26Å; A201-S204 VanDerWaalsContact O-N 3.12Å; A201-V205 WeakPolarHBondContact O-CG2 3.18Å; A201-V205 PolarHBondContact O-N 2.95Å
202W97.7Very high95.8Very high20 Ų2032.2 Ų32.28%0.07616%0.158CC..Hα-helixtrans-59.4-46.4174.9-172.2104.9000111.4C112 T142 Q163 V167 L198 S204 V205 N206C112-W202 VanDerWaalsContact SG-CA 3.53Å; T142-W202 HydrophobicContact CG2-CE3 4.39Å; T142-W202 HydrophobicContact CG2-CZ3 4.11Å; Q163-W202 HydrophobicContact CB-CH2 4.01Å; Q163-W202 HydrophobicContact CB-CZ3 4.49Å; Q163-W202 HydrophobicContact CG-CH2 3.81Å; V167-W202 HydrophobicContact CG2-CB 3.97Å; V167-W202 HydrophobicContact CG2-CD2 3.61Å; V167-W202 HydrophobicContact CG2-CE3 4.12Å; V167-W202 HydrophobicContact CG2-CG 3.52Å; L198-W202 WeakPolarHBondContact O-CB 3.43Å; L198-W202 PolarHBondContact O-N 2.99Å; W202-S204 VanDerWaalsContact C-N 3.31Å; W202-S204 PolarHBondContact O-N 3.46Å; W202-V205 PolarHBondContact O-N 2.82Å; W202-N206 HydrophobicContact CE3-CB 4.13Å; W202-N206 HydrophobicContact CH2-CB 4.01Å; W202-N206 WeakPolarHBondContact CZ2-ND2 3.48Å; W202-N206 HydrophobicContact CZ3-CB 3.83Å; W202-N206 WeakPolarHBondContact O-CB 3.47Å; W202-N206 PolarHBondContact O-N 3.3Å; W202-N206 PolarHBondContact O-ND2 3.45Å
203C96.8Very high95.2Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-63.9-40.7175.3-65.20000110.5Y138 T142 R199 W200 A201 V205 N206 T207Y138-C203 HydrophobicContact CD1-CB 3.94Å; Y138-C203 HydrophobicContact CD2-CB 3.4Å; Y138-C203 VanDerWaalsContact CD2-CB 3.4Å; Y138-C203 HydrophobicContact CE1-CB 4.21Å; Y138-C203 HydrophobicContact CE2-CB 3.74Å; Y138-C203 HydrophobicContact CG-CB 3.54Å; T142-C203 PolarHBondContact OG1-SG 3.13Å; R199-C203 WeakPolarHBondContact O-CB 3.32Å; R199-C203 PolarHBondContact O-N 3.46Å; R199-C203 PolarHBondContact O-SG 2.98Å; W200-C203 PolarHBondContact O-N 2.92Å; A201-C203 PolarHBondContact O-N 3.44Å; C203-V205 PolarHBondContact O-N 3.13Å; C203-N206 PolarHBondContact O-N 3.35Å; C203-T207 VanDerWaalsContact O-CB 3.22Å; C203-T207 WeakPolarHBondContact O-CB 3.46Å; C203-T207 WeakPolarHBondContact O-CG2 3.46Å; C203-T207 PolarHBondContact O-N 3.15Å; C203-T207 PolarHBondContact O-OG1 3.3Å
204S96.9Very high94.4Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-57-49.4175.1-54.80000112.2Y138 W200 A201 W202 R208Y138-S204 WeakPolarHBondContact OH-CA 3.42Å; Y138-S204 WeakPolarHBondContact OH-CB 3.27Å; Y138-S204 PolarHBondContact OH-OG 2.82Å; W200-S204 WeakPolarHBondContact O-CB 3.26Å; W200-S204 PolarHBondContact O-N 3.27Å; W200-S204 PolarHBondContact O-OG 2.93Å; A201-S204 WeakPolarHBondContact O-CA 3.39Å; A201-S204 WeakPolarHBondContact O-CB 3.34Å; A201-S204 PolarHBondContact O-N 3.26Å; A201-S204 VanDerWaalsContact O-N 3.12Å; W202-S204 VanDerWaalsContact C-N 3.31Å; W202-S204 PolarHBondContact O-N 3.46Å; S204-R208 VanDerWaalsContact O-CB 3.32Å; S204-R208 WeakPolarHBondContact O-CB 3.14Å; S204-R208 PolarHBondContact O-N 3.4Å
205V96.6Very high93.7Very high0 Ų043.3 Ų43.30%023%0.23CC..Hα-helixtrans-66.1-47.7179.1-177.30000111.3L108 L111 L115 A201 W202 C203 T207 S209 Y226 L228L108-V205 HydrophobicContact CD1-CB 3.71Å; L108-V205 HydrophobicContact CD1-CG1 3.37Å; L108-V205 HydrophobicContact CD1-CG2 4.36Å; L111-V205 HydrophobicContact CB-CG2 3.98Å; L111-V205 HydrophobicContact CD1-CG1 4.14Å; L115-V205 HydrophobicContact CD1-CG2 3.76Å; A201-V205 WeakPolarHBondContact O-CG2 3.18Å; A201-V205 PolarHBondContact O-N 2.95Å; W202-V205 PolarHBondContact O-N 2.82Å; C203-V205 PolarHBondContact O-N 3.13Å; V205-T207 PolarHBondContact O-N 3.46Å; V205-S209 WeakPolarHBondContact CG1-OG 3.43Å; V205-S209 WeakPolarHBondContact O-CB 3.48Å; V205-S209 PolarHBondContact O-N 3.38Å; V205-S209 PolarHBondContact O-OG 2.87Å; V205-Y226 HydrophobicContact CG1-CD1 3.87Å; V205-Y226 HydrophobicContact CG1-CE1 4.48Å; V205-Y226 HydrophobicContact CG1-CG 4.21Å; V205-L228 HydrophobicContact CG2-CD1 4.32Å
206N93.1Very high92.8Very high58 Ų5846 Ų4631%0.3126%0.255SS..Hα-helixtrans-71.1-33.1-174.5-77.8-90.5000113.5W202 C203W202-N206 HydrophobicContact CE3-CB 4.13Å; W202-N206 HydrophobicContact CH2-CB 4.01Å; W202-N206 WeakPolarHBondContact CZ2-ND2 3.48Å; W202-N206 HydrophobicContact CZ3-CB 3.83Å; W202-N206 WeakPolarHBondContact O-CB 3.47Å; W202-N206 PolarHBondContact O-N 3.3Å; W202-N206 PolarHBondContact O-ND2 3.45Å; C203-N206 PolarHBondContact O-N 3.35Å
207T91.6Very high92.2Very high18 Ų1842 Ų4211%0.1124%0.239CC..Hα-helixtrans-85.1-18.3-177.564.60000113.3Y138 C203 V205 E247 Y248Y138-T207 HydrophobicContact CD1-CG2 4.11Å; Y138-T207 HydrophobicContact CE1-CG2 4.05Å; Y138-T207 VanDerWaalsContact CE1-OG1 3.32Å; Y138-T207 WeakPolarHBondContact CE1-OG1 3.34Å; C203-T207 VanDerWaalsContact O-CB 3.22Å; C203-T207 WeakPolarHBondContact O-CB 3.46Å; C203-T207 WeakPolarHBondContact O-CG2 3.46Å; C203-T207 PolarHBondContact O-N 3.15Å; C203-T207 PolarHBondContact O-OG1 3.3Å; V205-T207 PolarHBondContact O-N 3.46Å; T207-E247 WeakPolarHBondContact CB-O 3.41Å; T207-E247 WeakPolarHBondContact CG2-O 3.39Å; T207-Y248 WeakPolarHBondContact O-CE1 3.18Å
208R93.6Very high91.8Very high34 Ų3445 Ų4513%0.12826%0.258CS..Hα-helixtrans-129.8-3.7-169.3-67.2172.2168.8-90-14.4115.8P135 S204 L228 D233P135-R208 VanDerWaalsContact CD-NE 3.32Å; S204-R208 VanDerWaalsContact O-CB 3.32Å; S204-R208 WeakPolarHBondContact O-CB 3.14Å; S204-R208 PolarHBondContact O-N 3.4Å; R208-L228 HydrophobicContact CB-CD2 3.87Å; R208-D233 HydrophobicContact CB-CB 3.99Å; R208-D233 WeakPolarHBondContact CD-OD2 3.22Å; R208-D233 HydrophobicContact CG-CB 4.3Å; R208-D233 IonicContact CZ-OD2 3.64Å; R208-D233 IonicContact NE-OD2 2.66Å; R208-D233 VanDerWaalsContact NH1-CG 3.3Å; R208-D233 IonicContact NH1-OD1 3.95Å; R208-D233 IonicContact NH1-OD2 3.62Å; R208-D233 PolarHBondContact NH1-OD2 3Å
209S94.1Very high91.6Very high20 Ų2048.7 Ų48.714%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-73.7139.4176.1-63.80000111.2V205 A227V205-S209 WeakPolarHBondContact CG1-OG 3.43Å; V205-S209 WeakPolarHBondContact O-CB 3.48Å; V205-S209 PolarHBondContact O-N 3.38Å; V205-S209 PolarHBondContact O-OG 2.87Å; S209-A227 CarbonylContact C-O 3.57Å; S209-A227 VanDerWaalsContact CA-O 3.29Å; S209-A227 WeakPolarHBondContact CA-O 3.48Å
210V92.9Very high91.5Very high54 Ų5446.9 Ų46.933%0.32727%0.268SS..EExtended strand (participates in β ladder)trans-89.8148.1156.2-62.40000108.9A227 A229 L232V210-A227 HydrophobicContact CG2-CB 4.11Å; V210-A227 WeakPolarHBondContact CG2-O 3.31Å; V210-A227 PolarHBondContact N-O 2.78Å; V210-A227 PolarHBondContact O-N 3.23Å; V210-A229 HydrophobicContact CG1-CB 4.43Å; V210-A229 HydrophobicContact CG2-CB 3.98Å; V210-L232 HydrophobicContact CG1-CD2 3.98Å
211F90.4Very high91.2Very high151 Ų15148.8 Ų48.866%0.66228%0.283SS*.EExtended strand (participates in β ladder)trans-88.6114.4175.5-67.9-73.3000109.9S225 Y226F211-S225 CarbonylContact C-O 3.56Å; F211-S225 VanDerWaalsContact CA-O 3.32Å; F211-S225 WeakPolarHBondContact CA-O 3.47Å; F211-S225 WeakPolarHBondContact CD1-OG 3.38Å; F211-Y226 HydrophobicContact CE1-CD1 4.06Å; F211-Y226 AromaticContact CE1-CE1 3.76Å; F211-Y226 HydrophobicContact CE1-CE1 3.76Å; F211-Y226 HydrophobicContact CZ-CE1 4.21Å
212M89.1Confident90.8Very high50 Ų5051.2 Ų51.225%0.24631%0.308CS..  trans-117121.1179.4-171.51688100109.4E80 L83 T85 R214 S225 A227E80-M212 HydrophobicContact CG-CE 4.5Å; L83-M212 HydrophobicContact CD1-CE 4.07Å; L83-M212 HydrophobicContact CD1-SD 3.87Å; T85-M212 HydrophobicContact CG2-CE 4.35Å; M212-R214 HydrophobicContact CE-CG 3.87Å; M212-R214 HydrophobicContact CG-CG 4.38Å; M212-R214 PolarHBondContact O-N 3.09Å; M212-S225 PolarHBondContact N-O 3.38Å; M212-S225 WeakPolarHBondContact O-CA 3.46Å; M212-A227 HydrophobicContact CB-CB 4.34Å
213S85.1Confident90.3Very high124 Ų12455.3 Ų55.387%0.86734%0.337SS*.  trans-65126.4175.4-169.80000109.6
214R81.8Confident89.9Confident34 Ų3455.8 Ų55.813%0.12834%0.339CS..  trans-140.9155.4179.3-72.1-170.5-69.4150.75.6110.8T85 T86 S87 M212 D224 Y226T85-R214 PolarHBondContact OG1-NH1 3.13Å; T86-R214 VanDerWaalsContact OG1-CZ 3.29Å; T86-R214 PolarHBondContact OG1-NH1 2.97Å; T86-R214 PolarHBondContact OG1-NH2 3.41Å; S87-R214 PolarHBondContact OG-NH1 3.32Å; M212-R214 HydrophobicContact CE-CG 3.87Å; M212-R214 HydrophobicContact CG-CG 4.38Å; M212-R214 PolarHBondContact O-N 3.09Å; R214-D224 IonicContact CZ-OD1 3.84Å; R214-D224 IonicContact CZ-OD2 2.92Å; R214-D224 PolarHBondContact NE-O 3.04Å; R214-D224 IonicContact NH1-OD2 3.05Å; R214-D224 PolarHBondContact NH2-O 3.12Å; R214-D224 IonicContact NH2-OD1 3.8Å; R214-D224 PolarHBondContact NH2-OD1 2.88Å; R214-D224 IonicContact NH2-OD2 3.79Å; R214-Y226 PolarHBondContact NH2-O 3.17Å
215P82.3Confident89.6Confident119 Ų11957.3 Ų57.377%0.77335%0.35SS*.PPolyproline II helixtrans-57.5139.6170-20.131.9000110.7S217P215-S217 PolarHBondContact O-N 3.43Å
216S79.4Confident89.5Confident100 Ų10059.5 Ų59.570%0.69936%0.359SS*.PPolyproline II helixtrans-61.5132.8176.2-57.40000111.1
217S85.4Confident89.7Confident26 Ų2656.8 Ų56.818%0.18234%0.344CS..PPolyproline II helixtrans-74.4134.8172175.90000111L90 P215 F219L90-S217 WeakPolarHBondContact CD1-OG 3.36Å; P215-S217 PolarHBondContact O-N 3.43Å; S217-F219 PolarHBondContact O-N 3.28Å; S217-F219 PolarHBondContact OG-N 3.44Å
218C89.4Confident90Very high85 Ų8555.9 Ų55.957%0.57434%0.339SS*.THydrogen-bonded Turntrans-69.8-13.8173.160.50000113.2R104R104-C218 VanDerWaalsContact CD-O 3.24Å; R104-C218 WeakPolarHBondContact CD-O 3.45Å; R104-C218 PolarHBondContact NH1-O 2.89Å
219F93.8Very high90.1Very high76 Ų7654.3 Ų54.333%0.33333%0.332SS..THydrogen-bonded Turntrans-96-13.9-177.5-57.2-69.8000114.1L90 K99 R104 S217L90-F219 HydrophobicContact CD1-CD2 4.48Å; L90-F219 HydrophobicContact CD2-CB 4.21Å; K99-F219 HydrophobicContact CB-CD1 3.62Å; K99-F219 HydrophobicContact CB-CE1 3.83Å; K99-F219 HydrophobicContact CB-CG 4.18Å; K99-F219 HydrophobicContact CD-CE1 4.3Å; K99-F219 HydrophobicContact CD-CE2 4.34Å; K99-F219 HydrophobicContact CD-CZ 4.2Å; K99-F219 HydrophobicContact CG-CB 4.28Å; K99-F219 HydrophobicContact CG-CD1 3.61Å; K99-F219 HydrophobicContact CG-CD2 3.99Å; K99-F219 HydrophobicContact CG-CE1 3.84Å; K99-F219 HydrophobicContact CG-CE2 4.19Å; K99-F219 HydrophobicContact CG-CG 3.69Å; K99-F219 HydrophobicContact CG-CZ 4.12Å; R104-F219 VanDerWaalsContact CD-C 3.44Å; R104-F219 WeakPolarHBondContact CD-O 3.44Å; R104-F219 WeakPolarHBondContact CG-O 3.4Å; S217-F219 PolarHBondContact O-N 3.28Å; S217-F219 PolarHBondContact OG-N 3.44Å
220L94.6Very high90.2Very high7 Ų753.3 Ų53.34%0.03733%0.326CS..SBendtrans-115.4161.4-178.4-59.5173.5000111.5T86 L90 I98 R104 L105 P107 A110T86-L220 HydrophobicContact CG2-CD1 3.62Å; L90-L220 HydrophobicContact CD1-CD1 4.15Å; L90-L220 HydrophobicContact CD1-CG 4.41Å; I98-L220 HydrophobicContact CG2-CD2 3.93Å; R104-L220 PolarHBondContact NE-O 2.87Å; L105-L220 HydrophobicContact CB-CD2 4.32Å; L105-L220 CarbonylContact O-C 3.54Å; L105-L220 VanDerWaalsContact O-CA 3.3Å; L105-L220 WeakPolarHBondContact O-CA 3.35Å; L105-L220 WeakPolarHBondContact O-CD2 3.41Å; P107-L220 HydrophobicContact CB-CD1 4.47Å; P107-L220 HydrophobicContact CG-CB 4.21Å; P107-L220 HydrophobicContact CG-CD1 4.21Å; A110-L220 HydrophobicContact CB-CD2 4.01Å
221S93Very high90.2Very high49 Ų4950.8 Ų50.834%0.34331%0.31SS..SBendtrans-105.1126.317755.10000111.4R104 L105 S106 P107R104-S221 PolarHBondContact O-OG 2.98Å; L105-S221 VanDerWaalsContact C-OG 3.27Å; L105-S221 PolarHBondContact O-N 3.45Å; L105-S221 PolarHBondContact O-OG 3.29Å; S106-S221 PolarHBondContact N-OG 3.34Å; P107-S221 WeakPolarHBondContact CD-O 3.44Å
222G88.7Confident90.4Very high51 Ų5145.6 Ų45.653%0.52629%0.289SS..SBendtrans89.8-172.5176.900000115
223P87.1Confident90.6Very high105 Ų10544.2 Ų44.268%0.68228%0.283SS*.  trans-73.8130.5-173.329-33.9000112.3S225P223-S225 PolarHBondContact O-N 3.4Å
224D88.8Confident90.9Very high10 Ų1038.5 Ų38.55%0.05324%0.242CC..  trans-102.470.8-172.9-165.65000112.8T86 P107 R214T86-D224 WeakPolarHBondContact CB-OD2 3.32Å; T86-D224 WeakPolarHBondContact CG2-OD1 3.33Å; T86-D224 PolarHBondContact OG1-OD1 3.5Å; T86-D224 PolarHBondContact OG1-OD2 3.2Å; P107-D224 HydrophobicContact CG-CB 4.04Å; R214-D224 IonicContact CZ-OD1 3.84Å; R214-D224 IonicContact CZ-OD2 2.92Å; R214-D224 PolarHBondContact NE-O 3.04Å; R214-D224 IonicContact NH1-OD2 3.05Å; R214-D224 PolarHBondContact NH2-O 3.12Å; R214-D224 IonicContact NH2-OD1 3.8Å; R214-D224 PolarHBondContact NH2-OD1 2.88Å; R214-D224 IonicContact NH2-OD2 3.79Å
225S91.8Very high91.3Very high32 Ų3240.8 Ų40.822%0.22426%0.257CS..  trans-109.9-9.3-169.557.20000115.5F211 M212 P223F211-S225 CarbonylContact C-O 3.56Å; F211-S225 VanDerWaalsContact CA-O 3.32Å; F211-S225 WeakPolarHBondContact CA-O 3.47Å; F211-S225 WeakPolarHBondContact CD1-OG 3.38Å; M212-S225 PolarHBondContact N-O 3.38Å; M212-S225 WeakPolarHBondContact O-CA 3.46Å; P223-S225 PolarHBondContact O-N 3.4Å
226Y94.4Very high91.4Very high47 Ų4738.6 Ų38.618%0.18424%0.239CC..EExtended strand (participates in β ladder)trans-76.7130-177.3-62.9-82.5000111.7P107 L108 L111 V205 F211 R214P107-Y226 HydrophobicContact CB-CD2 4.38Å; L108-Y226 HydrophobicContact CB-CE2 4.16Å; L111-Y226 VanDerWaalsContact CD1-CB 3.4Å; L111-Y226 HydrophobicContact CD1-CG 4.25Å; V205-Y226 HydrophobicContact CG1-CD1 3.87Å; V205-Y226 HydrophobicContact CG1-CE1 4.48Å; V205-Y226 HydrophobicContact CG1-CG 4.21Å; F211-Y226 HydrophobicContact CE1-CD1 4.06Å; F211-Y226 AromaticContact CE1-CE1 3.76Å; F211-Y226 HydrophobicContact CE1-CE1 3.76Å; F211-Y226 HydrophobicContact CZ-CE1 4.21Å; R214-Y226 PolarHBondContact NH2-O 3.17Å
227A96.1Very high91.3Very high0 Ų039.8 Ų39.80%023%0.233CC..EExtended strand (participates in β ladder)trans-136.6119.3166.800000109.4L83 T85 S209 V210 M212L83-A227 HydrophobicContact CD1-CB 4.37Å; T85-A227 HydrophobicContact CG2-CB 3.89Å; S209-A227 CarbonylContact C-O 3.57Å; S209-A227 VanDerWaalsContact CA-O 3.29Å; S209-A227 WeakPolarHBondContact CA-O 3.48Å; V210-A227 HydrophobicContact CG2-CB 4.11Å; V210-A227 WeakPolarHBondContact CG2-O 3.31Å; V210-A227 PolarHBondContact N-O 2.78Å; V210-A227 PolarHBondContact O-N 3.23Å; M212-A227 HydrophobicContact CB-CB 4.34Å
228L97.7Very high90.9Very high0 Ų042.8 Ų42.80%024%0.244CC..EExtended strand (participates in β ladder)trans-76.5126.2166.8-74.3176.1000108L83 L84 L115 Y130 V205 R208 P230L83-L228 WeakPolarHBondContact CA-O 3.46Å; L84-L228 HydrophobicContact CB-CB 4.03Å; L84-L228 HydrophobicContact CD1-CD1 4.5Å; L84-L228 HydrophobicContact CD2-CD1 4.33Å; L84-L228 PolarHBondContact N-O 3.37Å; L84-L228 PolarHBondContact O-N 3.47Å; L115-L228 HydrophobicContact CD1-CD1 3.75Å; L115-L228 HydrophobicContact CD2-CD1 4.02Å; L115-L228 HydrophobicContact CG-CD1 4.16Å; Y130-L228 HydrophobicContact CE1-CB 3.97Å; Y130-L228 HydrophobicContact CE1-CD1 4.05Å; Y130-L228 WeakPolarHBondContact OH-CB 3.44Å; Y130-L228 WeakPolarHBondContact OH-CD2 3.32Å; V205-L228 HydrophobicContact CG2-CD1 4.32Å; R208-L228 HydrophobicContact CB-CD2 3.87Å; L228-P230 WeakPolarHBondContact O-CD 3.39Å
229A96.1Very high90.5Very high0 Ų039.3 Ų39.30%022%0.22CC..  trans-119.585.8-171.400000109.5L78 L83 V210 F231 L232 D233L78-A229 HydrophobicContact CD2-CB 3.87Å; L83-A229 HydrophobicContact CD2-CB 3.57Å; V210-A229 HydrophobicContact CG1-CB 4.43Å; V210-A229 HydrophobicContact CG2-CB 3.98Å; A229-F231 PolarHBondContact O-N 3.01Å; A229-L232 HydrophobicContact CB-CB 3.85Å; A229-L232 HydrophobicContact CB-CD2 3.85Å; A229-L232 HydrophobicContact CB-CG 4.34Å; A229-L232 PolarHBondContact O-N 2.72Å; A229-D233 WeakPolarHBondContact O-CB 3.37Å; A229-D233 PolarHBondContact O-N 3.08Å
230P95.8Very high90.3Very high0 Ų036.6 Ų36.60%021%0.209CC..THydrogen-bonded Turntrans-52.2140.3-178.7-21.630.3000110.9L37 L41 L78 C82 W127 Y130 L228 L232L37-P230 HydrophobicContact CD1-CB 3.92Å; L41-P230 HydrophobicContact CD2-CB 4.2Å; L78-P230 WeakPolarHBondContact CD2-O 3.29Å; C82-P230 WeakPolarHBondContact O-CD 3.27Å; C82-P230 WeakPolarHBondContact O-CG 3.48Å; W127-P230 HydrophobicContact CZ3-CG 4.25Å; Y130-P230 HydrophobicContact CD1-CG 3.86Å; Y130-P230 HydrophobicContact CD2-CB 3.39Å; Y130-P230 HydrophobicContact CD2-CG 3.57Å; Y130-P230 HydrophobicContact CE1-CG 4.16Å; Y130-P230 HydrophobicContact CE2-CB 3.82Å; Y130-P230 HydrophobicContact CE2-CG 3.89Å; Y130-P230 HydrophobicContact CG-CB 3.81Å; Y130-P230 HydrophobicContact CG-CG 3.54Å; L228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-L232 PolarHBondContact O-N 2.96Å
231F93.9Very high90.1Very high1 Ų136.3 Ų36.30%0.00421%0.208CC..THydrogen-bonded Turntrans72.2-44.7-174.7-172.1-90.4000114.3M38 L41 F46 L51 P53 L63 A229 D233 L234M38-F231 HydrophobicContact CE-CE2 4.3Å; M38-F231 HydrophobicContact SD-CD2 3.56Å; M38-F231 VanDerWaalsContact SD-CD2 3.56Å; M38-F231 HydrophobicContact SD-CE2 3.46Å; M38-F231 WeakPolarHBondContact SD-CE2 3.39Å; M38-F231 HydrophobicContact SD-CZ 4.36Å; L41-F231 HydrophobicContact CD1-CB 3.46Å; L41-F231 VanDerWaalsContact CD1-CB 3.46Å; L41-F231 HydrophobicContact CD1-CD2 4.44Å; L41-F231 HydrophobicContact CD1-CG 4.14Å; F46-F231 AromaticContact CE1-CD1 3.75Å; F46-F231 HydrophobicContact CE1-CD1 3.75Å; F46-F231 AromaticContact CE1-CE1 3.86Å; F46-F231 HydrophobicContact CE1-CE1 3.86Å; F46-F231 HydrophobicContact CE1-CG 4.13Å; F46-F231 HydrophobicContact CE1-CZ 4.32Å; F46-F231 AromaticContact CZ-CD1 3.51Å; F46-F231 HydrophobicContact CZ-CD1 3.51Å; F46-F231 AromaticContact CZ-CE1 3.59Å; F46-F231 HydrophobicContact CZ-CE1 3.59Å; F46-F231 HydrophobicContact CZ-CG 4.32Å; F46-F231 HydrophobicContact CZ-CZ 4.43Å; L51-F231 HydrophobicContact CB-CE1 4.18Å; L51-F231 HydrophobicContact CB-CZ 4Å; L51-F231 HydrophobicContact CD1-CE1 4.4Å; P53-F231 HydrophobicContact CG-CE2 4.09Å; L63-F231 HydrophobicContact CD1-CD1 4.19Å; L63-F231 HydrophobicContact CD1-CE1 3.92Å; L63-F231 HydrophobicContact CD1-CZ 4.33Å; L63-F231 HydrophobicContact CD2-CD2 4.38Å; L63-F231 HydrophobicContact CD2-CE1 4.35Å; L63-F231 HydrophobicContact CD2-CE2 3.98Å; L63-F231 HydrophobicContact CD2-CZ 3.97Å; A229-F231 PolarHBondContact O-N 3.01Å; F231-D233 VanDerWaalsContact C-N 3.26Å; F231-D233 PolarHBondContact N-OD1 3.03Å; F231-D233 PolarHBondContact O-N 3.29Å; F231-L234 HydrophobicContact CD2-CD1 4.39Å; F231-L234 WeakPolarHBondContact O-CB 3.5Å; F231-L234 PolarHBondContact O-N 2.84Å
232L93.7Very high90Very high41 Ų4134.6 Ų34.622%0.21519%0.194CC..G310 helixtrans-62.7-37.2174.8-177.167.5000111.5V76 L78 V210 A229 P230 L234 L235V76-L232 HydrophobicContact CG1-CD1 3.44Å; V76-L232 VanDerWaalsContact CG1-CD1 3.44Å; V76-L232 HydrophobicContact CG2-CD1 4.4Å; L78-L232 HydrophobicContact CD2-CB 3.97Å; V210-L232 HydrophobicContact CG1-CD2 3.98Å; A229-L232 HydrophobicContact CB-CB 3.85Å; A229-L232 HydrophobicContact CB-CD2 3.85Å; A229-L232 HydrophobicContact CB-CG 4.34Å; A229-L232 PolarHBondContact O-N 2.72Å; P230-L232 PolarHBondContact O-N 2.96Å; L232-L234 PolarHBondContact O-N 3.18Å; L232-L234 VanDerWaalsContact O-N 3.11Å; L232-L235 HydrophobicContact CD1-CD1 3.66Å; L232-L235 WeakPolarHBondContact O-CB 3.38Å; L232-L235 WeakPolarHBondContact O-CG 3.5Å; L232-L235 PolarHBondContact O-N 3.11Å
233D92.9Very high90.1Very high22 Ų2237.7 Ų37.712%0.11819%0.19CC..G310 helixtrans-67.9-1176.875.1-24.1000114.9Y130 R208 A229 F231 L235Y130-D233 WeakPolarHBondContact CE2-OD2 3.48Å; Y130-D233 PolarHBondContact OH-OD2 2.65Å; R208-D233 HydrophobicContact CB-CB 3.99Å; R208-D233 WeakPolarHBondContact CD-OD2 3.22Å; R208-D233 HydrophobicContact CG-CB 4.3Å; R208-D233 IonicContact CZ-OD2 3.64Å; R208-D233 IonicContact NE-OD2 2.66Å; R208-D233 VanDerWaalsContact NH1-CG 3.3Å; R208-D233 IonicContact NH1-OD1 3.95Å; R208-D233 IonicContact NH1-OD2 3.62Å; R208-D233 PolarHBondContact NH1-OD2 3Å; A229-D233 WeakPolarHBondContact O-CB 3.37Å; A229-D233 PolarHBondContact O-N 3.08Å; F231-D233 VanDerWaalsContact C-N 3.26Å; F231-D233 PolarHBondContact N-OD1 3.03Å; F231-D233 PolarHBondContact O-N 3.29Å; D233-L235 VanDerWaalsContact C-N 3.34Å
234L91.9Very high90.3Very high3 Ų332.9 Ų32.92%0.01616%0.159CC..G310 helixtrans-87.2-3.3168.5-60.8172.1000112.2Y34 P53 G62 L63 V133 F231 L232 N236Y34-L234 HydrophobicContact CE1-CD1 3.87Å; Y34-L234 HydrophobicContact CE1-CD2 4.48Å; P53-L234 HydrophobicContact CB-CD1 4.48Å; P53-L234 HydrophobicContact CG-CD1 4.29Å; G62-L234 CarbonylContact C-O 3.57Å; G62-L234 WeakPolarHBondContact CA-O 3.32Å; L63-L234 HydrophobicContact CD1-CB 4.39Å; L63-L234 HydrophobicContact CD2-CB 3.81Å; L63-L234 HydrophobicContact CD2-CD1 3.94Å; L63-L234 HydrophobicContact CG-CB 3.73Å; L63-L234 PolarHBondContact N-O 3.14Å; V133-L234 HydrophobicContact CG1-CD2 4.4Å; F231-L234 HydrophobicContact CD2-CD1 4.39Å; F231-L234 WeakPolarHBondContact O-CB 3.5Å; F231-L234 PolarHBondContact O-N 2.84Å; L232-L234 PolarHBondContact O-N 3.18Å; L232-L234 VanDerWaalsContact O-N 3.11Å; L234-N236 PolarHBondContact O-N 2.83Å
235L90.3Very high90.4Very high83 Ų8332.4 Ų32.444%0.43516%0.156SC..PPolyproline II helixtrans-71.9117.6170.9-71.6174.3000110L63 L232 D233L63-L235 HydrophobicContact CB-CD2 4.13Å; L63-L235 HydrophobicContact CD1-CD2 3.85Å; L63-L235 HydrophobicContact CD1-CG 4Å; L63-L235 HydrophobicContact CG-CD2 4.37Å; L232-L235 HydrophobicContact CD1-CD1 3.66Å; L232-L235 WeakPolarHBondContact O-CB 3.38Å; L232-L235 WeakPolarHBondContact O-CG 3.5Å; L232-L235 PolarHBondContact O-N 3.11Å; D233-L235 VanDerWaalsContact C-N 3.34Å
236N85.3Confident90.5Very high73 Ų7331 Ų3139%0.3915%0.146SC..PPolyproline II helixtrans-75.6139.9175.4-67.5-30000110.6T59 R61 L234T59-N236 WeakPolarHBondContact CB-ND2 3.47Å; T59-N236 PolarHBondContact OG1-ND2 2.91Å; R61-N236 PolarHBondContact O-ND2 3.08Å; R61-N236 PolarHBondContact O-OD1 3.31Å; L234-N236 PolarHBondContact O-N 2.83Å
237H76.5Confident90.1Very high124 Ų12430.7 Ų30.757%0.57415%0.146SC*.PPolyproline II helixtrans-101.8158.7170.7-161.3-85.4000110P239H237-P239 VanDerWaalsContact C-CD 3.4Å; H237-P239 WeakPolarHBondContact ND1-CD 3.48Å; H237-P239 WeakPolarHBondContact O-CD 3.31Å
238H77Confident89.7Confident89 Ų8934.9 Ų34.941%0.41216%0.163SC..  trans-124.857.2178.3-152-58.9000112.5N255 H257H238-N255 PolarHBondContact CE1-OD1 3.47Å; H238-N255 PolarHBondContact ND1-OD1 2.9Å; H238-N255 VanDerWaalsContact ND1-OD1 3.16Å; H238-H257 AromaticContact ND1-CD2 3.68Å; H238-H257 PolarHBondContact O-CD2 3.4Å; H238-H257 VanDerWaalsContact O-CD2 3.22Å
239P82.1Confident89.3Confident13 Ų1335.1 Ų35.18%0.08417%0.165CC..  trans-74.4-173.9175.634.4-26.3000111.3H237 R243 L244 N255H237-P239 VanDerWaalsContact C-CD 3.4Å; H237-P239 WeakPolarHBondContact ND1-CD 3.48Å; H237-P239 WeakPolarHBondContact O-CD 3.31Å; P239-R243 HydrophobicContact CB-CB 4.22Å; P239-R243 HydrophobicContact CB-CG 4.15Å; P239-R243 HydrophobicContact CG-CB 4.39Å; P239-R243 HydrophobicContact CG-CG 4.22Å; P239-L244 HydrophobicContact CG-CD2 3.65Å; P239-L244 HydrophobicContact CG-CG 3.84Å; P239-N255 PolarHBondContact O-ND2 2.91Å
240D89Confident89Confident19 Ų1938 Ų3810%0.10218%0.178CC..  trans-63.8160.9172.470.190.8000112.4Q242 R243 L244 H257 V259D240-Q242 PolarHBondContact O-N 3.1Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.42Å; D240-Q242 PolarHBondContact OD1-N 3.41Å; D240-R243 PolarHBondContact O-N 3.45Å; D240-R243 PolarHBondContact OD1-N 2.95Å; D240-R243 VanDerWaalsContact OD2-CB 3.26Å; D240-R243 WeakPolarHBondContact OD2-CB 3.07Å; D240-L244 WeakPolarHBondContact O-CG 3.33Å; D240-L244 PolarHBondContact O-N 3.44Å; D240-H257 VanDerWaalsContact CB-O 3.26Å; D240-H257 WeakPolarHBondContact CB-O 3.4Å; D240-V259 HydrophobicContact CB-CG2 4.27Å
241V89.1Confident88.7Confident1 Ų139.2 Ų39.21%0.00619%0.185CC..Hα-helixtrans-67.2-30.3-174.4-73.20000115L244 L245 V251 A252 N255 S258 L381 E384V241-L244 PolarHBondContact O-N 3.2Å; V241-L245 PolarHBondContact O-N 3.38Å; V241-V251 HydrophobicContact CB-CG1 4.35Å; V241-V251 HydrophobicContact CG1-CG1 4.16Å; V241-A252 VanDerWaalsContact CG1-O 3.24Å; V241-A252 WeakPolarHBondContact CG1-O 3.32Å; V241-N255 HydrophobicContact CG1-CB 4Å; V241-S258 WeakPolarHBondContact CG1-OG 3.4Å; V241-L381 HydrophobicContact CB-CD1 4.11Å; V241-L381 HydrophobicContact CG2-CD1 3.87Å; V241-E384 HydrophobicContact CG1-CG 4.26Å; V241-E384 HydrophobicContact CG2-CG 4.09Å
242Q92.4Very high88.4Confident12 Ų1240.1 Ų40.16%0.05619%0.193CC..Hα-helixtrans-70.6-40.6177-68.7-167.35.600110V156 D240 L245 L246 Y261 L381 E385V156-Q242 HydrophobicContact CG2-CB 3.92Å; V156-Q242 VanDerWaalsContact CG2-CD 3.45Å; V156-Q242 HydrophobicContact CG2-CG 3.69Å; D240-Q242 PolarHBondContact O-N 3.1Å; D240-Q242 WeakPolarHBondContact OD1-CB 3.42Å; D240-Q242 PolarHBondContact OD1-N 3.41Å; Q242-L245 PolarHBondContact O-N 3.42Å; Q242-L246 WeakPolarHBondContact O-CB 3.45Å; Q242-L246 WeakPolarHBondContact O-CD1 3.36Å; Q242-L246 WeakPolarHBondContact O-CG 3.3Å; Q242-L246 PolarHBondContact O-N 3.47Å; Q242-Y261 HydrophobicContact CG-CD2 4.46Å; Q242-L381 HydrophobicContact CG-CD1 4.15Å; Q242-E385 PolarHBondContact NE2-OE1 3.38Å
243R90.5Very high88.1Confident117 Ų11742.1 Ų42.144%0.44220%0.202SC..Hα-helixtrans-64.9-42.6173.1-172.2167.5-174.5155.911.7112.4P239 D240 L245 L246 E247P239-R243 HydrophobicContact CB-CB 4.22Å; P239-R243 HydrophobicContact CB-CG 4.15Å; P239-R243 HydrophobicContact CG-CB 4.39Å; P239-R243 HydrophobicContact CG-CG 4.22Å; D240-R243 PolarHBondContact O-N 3.45Å; D240-R243 PolarHBondContact OD1-N 2.95Å; D240-R243 VanDerWaalsContact OD2-CB 3.26Å; D240-R243 WeakPolarHBondContact OD2-CB 3.07Å; R243-L245 VanDerWaalsContact C-N 3.28Å; R243-L245 PolarHBondContact O-N 3.41Å; R243-L246 PolarHBondContact O-N 2.9Å; R243-E247 HydrophobicContact CG-CG 4.18Å; R243-E247 WeakPolarHBondContact CG-OE2 3.34Å; R243-E247 IonicContact CZ-OE1 3.07Å; R243-E247 IonicContact CZ-OE2 3.31Å; R243-E247 IonicContact NE-OE1 2.74Å; R243-E247 PolarHBondContact NE-OE1 2.92Å; R243-E247 IonicContact NE-OE2 2.84Å; R243-E247 PolarHBondContact NE-OE2 2.82Å; R243-E247 IonicContact NH2-OE1 3.79Å; R243-E247 PolarHBondContact NH2-OE1 3.49Å; R243-E247 IonicContact NH2-OE2 2.89Å; R243-E247 PolarHBondContact NH2-OE2 3.49Å; R243-E247 WeakPolarHBondContact O-CB 3.34Å; R243-E247 PolarHBondContact O-N 2.88Å
244L89.9Confident87.7Confident3 Ų346.3 Ų46.32%0.01622%0.224CC..Hα-helixtrans-54.9-44.7173.8-78.6177.8000112P239 D240 V241 Y248 G249 F250 A252P239-L244 HydrophobicContact CG-CD2 3.65Å; P239-L244 HydrophobicContact CG-CG 3.84Å; D240-L244 WeakPolarHBondContact O-CG 3.33Å; D240-L244 PolarHBondContact O-N 3.44Å; V241-L244 PolarHBondContact O-N 3.2Å; L244-Y248 HydrophobicContact CD2-CD2 4.1Å; L244-Y248 CarbonylContact O-C 3.44Å; L244-Y248 WeakPolarHBondContact O-CA 3.36Å; L244-Y248 WeakPolarHBondContact O-CB 3.35Å; L244-Y248 PolarHBondContact O-N 3.06Å; L244-G249 PolarHBondContact O-N 3.19Å; L244-F250 CarbonylContact C-O 3.56Å; L244-F250 VanDerWaalsContact C-O 3.25Å; L244-F250 WeakPolarHBondContact CB-O 3.28Å; L244-F250 HydrophobicContact CD1-CE2 3.95Å; L244-F250 HydrophobicContact CD1-CZ 4.27Å; L244-F250 HydrophobicContact CD2-CE1 3.87Å; L244-F250 HydrophobicContact CD2-CE2 3.97Å; L244-F250 HydrophobicContact CD2-CZ 3.41Å; L244-F250 VanDerWaalsContact CD2-CZ 3.41Å; L244-F250 HydrophobicContact CG-CE2 4.42Å; L244-F250 HydrophobicContact CG-CZ 4.32Å; L244-A252 HydrophobicContact CD1-CB 3.71Å
245L92.9Very high87.4Confident0 Ų046.5 Ų46.50%023%0.225CC..Hα-helixtrans-66.1-50.1177.8-178.861000111.9P141 F144 L152 V156 V241 Q242 R243 E247 G249 F250 V377 L381P141-L245 WeakPolarHBondContact CD-O 3.5Å; P141-L245 HydrophobicContact CG-CG 4.26Å; F144-L245 HydrophobicContact CE2-CD1 4.42Å; F144-L245 HydrophobicContact CE2-CD2 4.49Å; F144-L245 HydrophobicContact CZ-CD1 4.05Å; L152-L245 HydrophobicContact CD2-CD2 3.86Å; V156-L245 HydrophobicContact CG1-CD2 4.11Å; V241-L245 PolarHBondContact O-N 3.38Å; Q242-L245 PolarHBondContact O-N 3.42Å; R243-L245 VanDerWaalsContact C-N 3.28Å; R243-L245 PolarHBondContact O-N 3.41Å; L245-E247 PolarHBondContact O-N 3.05Å; L245-G249 VanDerWaalsContact O-CA 3.29Å; L245-G249 WeakPolarHBondContact O-CA 3.38Å; L245-G249 PolarHBondContact O-N 3.38Å; L245-F250 WeakPolarHBondContact CA-O 3.48Å; L245-F250 PolarHBondContact N-O 3.29Å; L245-V377 HydrophobicContact CD1-CG1 3.44Å; L245-V377 VanDerWaalsContact CD1-CG1 3.44Å; L245-L381 HydrophobicContact CD2-CD2 3.63Å
246L91.9Very high87.2Confident2 Ų247.7 Ų47.71%0.0124%0.238CC..Hα-helixtrans-66.6-36.1-174.4-77.5162.4000113.6P141 V156 R159 Q163 Q242 R243P141-L246 HydrophobicContact CG-CD2 4Å; V156-L246 HydrophobicContact CG1-CD1 4.33Å; V156-L246 HydrophobicContact CG1-CD2 4.08Å; V156-L246 HydrophobicContact CG1-CG 4.05Å; R159-L246 HydrophobicContact CB-CD1 4.18Å; R159-L246 HydrophobicContact CB-CD2 3.74Å; Q163-L246 PolarHBondContact NE2-O 3.31Å; Q163-L246 VanDerWaalsContact NE2-O 3.12Å; Q242-L246 WeakPolarHBondContact O-CB 3.45Å; Q242-L246 WeakPolarHBondContact O-CD1 3.36Å; Q242-L246 WeakPolarHBondContact O-CG 3.3Å; Q242-L246 PolarHBondContact O-N 3.47Å; R243-L246 PolarHBondContact O-N 2.9Å
247E87.1Confident87.3Confident41 Ų4149.5 Ų49.519%0.19224%0.244CC..Hα-helixtrans-102.2-20.5-174.3-66.7-179.8-176.500113.1T207 R243 L245T207-E247 WeakPolarHBondContact CB-O 3.41Å; T207-E247 WeakPolarHBondContact CG2-O 3.39Å; R243-E247 HydrophobicContact CG-CG 4.18Å; R243-E247 WeakPolarHBondContact CG-OE2 3.34Å; R243-E247 IonicContact CZ-OE1 3.07Å; R243-E247 IonicContact CZ-OE2 3.31Å; R243-E247 IonicContact NE-OE1 2.74Å; R243-E247 PolarHBondContact NE-OE1 2.92Å; R243-E247 IonicContact NE-OE2 2.84Å; R243-E247 PolarHBondContact NE-OE2 2.82Å; R243-E247 IonicContact NH2-OE1 3.79Å; R243-E247 PolarHBondContact NH2-OE1 3.49Å; R243-E247 IonicContact NH2-OE2 2.89Å; R243-E247 PolarHBondContact NH2-OE2 3.49Å; R243-E247 WeakPolarHBondContact O-CB 3.34Å; R243-E247 PolarHBondContact O-N 2.88Å; L245-E247 PolarHBondContact O-N 3.05Å
248Y87.6Confident88.1Confident89 Ų8944 Ų4435%0.34922%0.22SC..Hα-helixtrans-135.4-8.8-173.4-52.9-87.2000114.2T207 L244 F250T207-Y248 WeakPolarHBondContact O-CE1 3.18Å; L244-Y248 HydrophobicContact CD2-CD2 4.1Å; L244-Y248 CarbonylContact O-C 3.44Å; L244-Y248 WeakPolarHBondContact O-CA 3.36Å; L244-Y248 WeakPolarHBondContact O-CB 3.35Å; L244-Y248 PolarHBondContact O-N 3.06Å; Y248-F250 HydrophobicContact CG-CE1 4.28Å
249G89.6Confident89Confident5 Ų541.1 Ų41.15%0.05221%0.208CC..SBendtrans75.823.1174.100000115.6A139 L244 L245A139-G249 VanDerWaalsContact C-CA 3.48Å; A139-G249 WeakPolarHBondContact CB-O 3.43Å; A139-G249 VanDerWaalsContact O-CA 3.27Å; A139-G249 WeakPolarHBondContact O-CA 3.35Å; L244-G249 PolarHBondContact O-N 3.19Å; L245-G249 VanDerWaalsContact O-CA 3.29Å; L245-G249 WeakPolarHBondContact O-CA 3.38Å; L245-G249 PolarHBondContact O-N 3.38Å
250F89.1Confident89.7Confident61 Ų6140.7 Ų40.727%0.26821%0.205SC..  trans-140.9165.9176.174.6-86.6000112.6L244 L245 Y248 A252L244-F250 CarbonylContact C-O 3.56Å; L244-F250 VanDerWaalsContact C-O 3.25Å; L244-F250 WeakPolarHBondContact CB-O 3.28Å; L244-F250 HydrophobicContact CD1-CE2 3.95Å; L244-F250 HydrophobicContact CD1-CZ 4.27Å; L244-F250 HydrophobicContact CD2-CE1 3.87Å; L244-F250 HydrophobicContact CD2-CE2 3.97Å; L244-F250 HydrophobicContact CD2-CZ 3.41Å; L244-F250 VanDerWaalsContact CD2-CZ 3.41Å; L244-F250 HydrophobicContact CG-CE2 4.42Å; L244-F250 HydrophobicContact CG-CZ 4.32Å; L245-F250 WeakPolarHBondContact CA-O 3.48Å; L245-F250 PolarHBondContact N-O 3.29Å; Y248-F250 HydrophobicContact CG-CE1 4.28Å; F250-A252 HydrophobicContact CE2-CB 4.32Å
251V90.7Very high90Very high24 Ų2443 Ų4315%0.14521%0.213CC..  trans-121.8127.5176.3177.60000109V241 M253 V377 A380 L381V241-V251 HydrophobicContact CB-CG1 4.35Å; V241-V251 HydrophobicContact CG1-CG1 4.16Å; V251-M253 HydrophobicContact CG1-SD 4.18Å; V251-V377 HydrophobicContact CG2-CG1 4.09Å; V251-A380 HydrophobicContact CB-CB 4.09Å; V251-A380 HydrophobicContact CG1-CB 4.08Å; V251-L381 HydrophobicContact CG2-CB 3.88Å
252A87.9Confident90.4Very high20 Ų2043.2 Ų43.217%0.16521%0.214CC..  trans-97.7109.4172.700000109.9V241 L244 F250 N255V241-A252 VanDerWaalsContact CG1-O 3.24Å; V241-A252 WeakPolarHBondContact CG1-O 3.32Å; L244-A252 HydrophobicContact CD1-CB 3.71Å; F250-A252 HydrophobicContact CE2-CB 4.32Å; A252-N255 HydrophobicContact CB-CB 4.25Å; A252-N255 VanDerWaalsContact O-CB 3.23Å; A252-N255 WeakPolarHBondContact O-CB 3.42Å
253M87Confident90.5Very high84 Ų8444.5 Ų44.541%0.41422%0.22SC..THydrogen-bonded Turntrans-67.8146.2179.1-61.3-58.5-64.200111.9V251 N255 A380 Q383 E384V251-M253 HydrophobicContact CG1-SD 4.18Å; M253-N255 PolarHBondContact O-N 3.26Å; M253-A380 HydrophobicContact SD-CB 3.87Å; M253-Q383 HydrophobicContact CE-CB 4.15Å; M253-E384 HydrophobicContact CE-CB 4.49Å
254N84.6Confident90.6Very high109 Ų10940.4 Ų40.458%0.58321%0.209SC*.THydrogen-bonded Turntrans57.434.8-177.3-52.2-79.1000113.2E384N254-E384 PolarHBondContact N-OE1 3.37Å; N254-E384 PolarHBondContact N-OE2 3.09Å
255N85.2Confident90.8Very high7 Ų745.6 Ų45.64%0.03724%0.236CC..  trans-75.5122.7-179.31675.3000109.2H238 P239 V241 A252 M253 H257 S258 E384H238-N255 PolarHBondContact CE1-OD1 3.47Å; H238-N255 PolarHBondContact ND1-OD1 2.9Å; H238-N255 VanDerWaalsContact ND1-OD1 3.16Å; P239-N255 PolarHBondContact O-ND2 2.91Å; V241-N255 HydrophobicContact CG1-CB 4Å; A252-N255 HydrophobicContact CB-CB 4.25Å; A252-N255 VanDerWaalsContact O-CB 3.23Å; A252-N255 WeakPolarHBondContact O-CB 3.42Å; M253-N255 PolarHBondContact O-N 3.26Å; N255-H257 PolarHBondContact O-N 3.37Å; N255-H257 VanDerWaalsContact O-N 3.08Å; N255-H257 WeakPolarHBondContact OD1-CB 3.42Å; N255-H257 PolarHBondContact OD1-N 3.3Å; N255-S258 VanDerWaalsContact CB-OG 3.26Å; N255-S258 WeakPolarHBondContact CB-OG 3.48Å; N255-S258 VanDerWaalsContact O-CB 3.28Å; N255-S258 WeakPolarHBondContact O-CB 3.39Å; N255-S258 PolarHBondContact O-N 3.39Å; N255-S258 PolarHBondContact O-OG 3.17Å; N255-E384 PolarHBondContact N-OE1 3Å; N255-E384 VanDerWaalsContact N-OE1 3.08Å
256P85.1Confident90.9Very high108 Ų10846.8 Ų46.870%0.70124%0.243SC*.THydrogen-bonded Turntrans-66.9-12.2-176.528.7-36.7000113.7
257H88.9Confident91.1Very high112 Ų11246.7 Ų46.752%0.51924%0.242SC..THydrogen-bonded Turntrans-97.9-0.8175.8-56.1-64.6000112.6H238 D240 N255 V259H238-H257 AromaticContact ND1-CD2 3.68Å; H238-H257 PolarHBondContact O-CD2 3.4Å; H238-H257 VanDerWaalsContact O-CD2 3.22Å; D240-H257 VanDerWaalsContact CB-O 3.26Å; D240-H257 WeakPolarHBondContact CB-O 3.4Å; N255-H257 PolarHBondContact O-N 3.37Å; N255-H257 VanDerWaalsContact O-N 3.08Å; N255-H257 WeakPolarHBondContact OD1-CB 3.42Å; N255-H257 PolarHBondContact OD1-N 3.3Å; H257-V259 PolarHBondContact O-N 3.2Å
258S92.4Very high91.4Very high9 Ų946.7 Ų46.76%0.06325%0.246CC..  trans-63.5134.6178.5-60.90000111.7V241 N255 E384V241-S258 WeakPolarHBondContact CG1-OG 3.4Å; N255-S258 VanDerWaalsContact CB-OG 3.26Å; N255-S258 WeakPolarHBondContact CB-OG 3.48Å; N255-S258 VanDerWaalsContact O-CB 3.28Å; N255-S258 WeakPolarHBondContact O-CB 3.39Å; N255-S258 PolarHBondContact O-N 3.39Å; N255-S258 PolarHBondContact O-OG 3.17Å; S258-E384 WeakPolarHBondContact CB-OE1 3.49Å; S258-E384 PolarHBondContact OG-OE1 3.11Å
259V95.1Very high91.8Very high28 Ų2846.5 Ų46.517%0.1725%0.251CS..  trans-140.7157.1173.5-66.40000109.2D240 H257 Y261 T294 V295D240-V259 HydrophobicContact CB-CG2 4.27Å; H257-V259 PolarHBondContact O-N 3.2Å; V259-Y261 HydrophobicContact CG2-CD2 4.26Å; V259-Y261 HydrophobicContact CG2-CE2 3.78Å; V259-T294 HydrophobicContact CB-CG2 4.27Å; V259-T294 HydrophobicContact CG2-CG2 3.84Å; V259-V295 CarbonylContact C-O 3.5Å; V259-V295 VanDerWaalsContact CA-O 3.29Å; V259-V295 WeakPolarHBondContact CA-O 3.32Å
260V96.8Very high92Very high3 Ų348.2 Ų48.22%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-101.1124.5169.1-177.40000108.4T294 V295 L349 E385 I388 L389V260-T294 CarbonylContact O-C 3.44Å; V260-T294 VanDerWaalsContact O-CA 3.28Å; V260-T294 WeakPolarHBondContact O-CA 3.4Å; V260-V295 HydrophobicContact CB-CB 4.46Å; V260-V295 PolarHBondContact N-O 3.31Å; V260-V295 PolarHBondContact O-N 3.27Å; V260-L349 HydrophobicContact CG1-CD1 4.04Å; V260-E385 HydrophobicContact CG2-CB 3.94Å; V260-E385 HydrophobicContact CG2-CG 3.96Å; V260-I388 HydrophobicContact CG2-CB 4.04Å; V260-I388 HydrophobicContact CG2-CD1 4.1Å; V260-I388 HydrophobicContact CG2-CG2 3.83Å; V260-L389 HydrophobicContact CB-CD2 4.42Å; V260-L389 HydrophobicContact CG1-CD1 4.49Å; V260-L389 HydrophobicContact CG1-CD2 4.42Å; V260-L389 HydrophobicContact CG2-CD1 4.39Å; V260-L389 HydrophobicContact CG2-CD2 4.38Å; V260-L389 HydrophobicContact CG2-CG 4.09Å
261Y96.6Very high92.1Very high68 Ų6845.8 Ų45.827%0.26725%0.249SC..EExtended strand (participates in β ladder)trans-79.4143176.5-75.4-96.2000111.3Q242 V259 L293 T294Q242-Y261 HydrophobicContact CG-CD2 4.46Å; V259-Y261 HydrophobicContact CG2-CD2 4.26Å; V259-Y261 HydrophobicContact CG2-CE2 3.78Å; Y261-L293 WeakPolarHBondContact CA-O 3.36Å; Y261-T294 HydrophobicContact CD1-CG2 3.67Å; Y261-T294 HydrophobicContact CD2-CG2 4.47Å; Y261-T294 HydrophobicContact CE1-CG2 3.65Å; Y261-T294 HydrophobicContact CE2-CG2 4.47Å; Y261-T294 HydrophobicContact CG-CG2 4.11Å
262V96.6Very high92.1Very high5 Ų553.8 Ų53.83%0.0328%0.276CS..  trans-108.6111.6178.3-178.90000108.6L267 L293 V295 L304 L345 L349V262-L267 HydrophobicContact CG1-CD2 4.1Å; V262-L267 HydrophobicContact CG1-CG 4.31Å; V262-L293 HydrophobicContact CB-CB 3.95Å; V262-L293 PolarHBondContact N-O 2.94Å; V262-V295 HydrophobicContact CG2-CG2 3.96Å; V262-L304 HydrophobicContact CG1-CD1 4.44Å; V262-L304 HydrophobicContact CG2-CD2 3.82Å; V262-L345 HydrophobicContact CB-CD2 4.41Å; V262-L345 HydrophobicContact CG1-CD1 3.51Å; V262-L345 HydrophobicContact CG1-CD2 3.89Å; V262-L345 HydrophobicContact CG1-CG 4.2Å; V262-L345 HydrophobicContact CG2-CD2 3.61Å; V262-L349 HydrophobicContact CG2-CD1 4.21Å
263E94.5Very high91.9Very high40 Ų4056.4 Ų56.419%0.18731%0.305CS..  trans-72.4140.7176.9-62.9-62.4127.800110.7A154 G155 R158 D265 L266A154-E263 HydrophobicContact CB-CG 4.47Å; G155-E263 VanDerWaalsContact CA-OE1 3.32Å; G155-E263 WeakPolarHBondContact CA-OE1 3.38Å; R158-E263 IonicContact CZ-OE2 2.76Å; R158-E263 IonicContact NE-OE2 2.68Å; R158-E263 IonicContact NH2-OE1 3.67Å; R158-E263 IonicContact NH2-OE2 3.61Å; R158-E263 PolarHBondContact NH2-OE2 2.8Å; E263-D265 PolarHBondContact O-N 3.42Å; E263-L266 WeakPolarHBondContact O-CB 3.33Å; E263-L266 PolarHBondContact O-N 3.39Å; E263-L266 VanDerWaalsContact O-N 3.08Å
264P94.3Very high91.8Very high30 Ų3055.3 Ų55.320%0.19530%0.299CS..Hα-helixtrans-56.1-32.1177.2-28.336.5000114L266 L267 C268 M281 L290P264-L266 VanDerWaalsContact C-N 3.28Å; P264-L266 PolarHBondContact O-N 2.97Å; P264-L267 WeakPolarHBondContact O-CB 3.44Å; P264-L267 PolarHBondContact O-N 3.07Å; P264-L267 VanDerWaalsContact O-N 3.11Å; P264-C268 PolarHBondContact O-N 3.38Å; P264-M281 HydrophobicContact CB-CE 3.99Å; P264-L290 HydrophobicContact CB-CD1 4.39Å; P264-L290 HydrophobicContact CG-CB 4.17Å
265D93.7Very high91.9Very high112 Ų11258.6 Ų58.660%0.59931%0.308SS*.Hα-helixtrans-64.2-35.2179.3-62.4-19.3000111.8E263 L267 C268 D269E263-D265 PolarHBondContact O-N 3.42Å; D265-L267 VanDerWaalsContact C-N 3.3Å; D265-L267 PolarHBondContact O-N 3.08Å; D265-C268 WeakPolarHBondContact O-CB 3.31Å; D265-C268 PolarHBondContact O-N 3.17Å; D265-D269 PolarHBondContact O-N 3Å
266L95.2Very high92Very high25 Ų2560.4 Ų60.413%0.13132%0.321CS..Hα-helixtrans-65.7-34.4174.9179.561.8000111.8E263 P264 C268 D269 I270 L345 Q348 L349E263-L266 WeakPolarHBondContact O-CB 3.33Å; E263-L266 PolarHBondContact O-N 3.39Å; E263-L266 VanDerWaalsContact O-N 3.08Å; P264-L266 VanDerWaalsContact C-N 3.28Å; P264-L266 PolarHBondContact O-N 2.97Å; L266-C268 VanDerWaalsContact C-N 3.33Å; L266-D269 PolarHBondContact O-N 3.02Å; L266-I270 HydrophobicContact CD1-CD1 3.92Å; L266-I270 HydrophobicContact CD1-CG1 4.16Å; L266-I270 HydrophobicContact CD2-CD1 4.47Å; L266-I270 HydrophobicContact CG-CD1 3.84Å; L266-I270 HydrophobicContact CG-CG1 4.47Å; L266-I270 WeakPolarHBondContact O-CG1 3.32Å; L266-I270 PolarHBondContact O-N 3.24Å; L266-L345 HydrophobicContact CD2-CG 4.2Å; L266-Q348 HydrophobicContact CD1-CG 3.93Å; L266-L349 HydrophobicContact CD2-CD1 4.32Å; L266-L349 HydrophobicContact CD2-CD2 3.47Å; L266-L349 VanDerWaalsContact CD2-CD2 3.47Å; L266-L349 HydrophobicContact CD2-CG 3.69Å
267L95.2Very high92.3Very high1 Ų156.1 Ų56.11%0.00529%0.292CS..Hα-helixtrans-63.3-43.3173.5-61.2175.8000110.8V262 P264 D265 D269 I270 L271 L290 L293 L308 L311 L345V262-L267 HydrophobicContact CG1-CD2 4.1Å; V262-L267 HydrophobicContact CG1-CG 4.31Å; P264-L267 WeakPolarHBondContact O-CB 3.44Å; P264-L267 PolarHBondContact O-N 3.07Å; P264-L267 VanDerWaalsContact O-N 3.11Å; D265-L267 VanDerWaalsContact C-N 3.3Å; D265-L267 PolarHBondContact O-N 3.08Å; L267-D269 VanDerWaalsContact C-N 3.31Å; L267-D269 PolarHBondContact O-N 3.18Å; L267-I270 PolarHBondContact O-N 2.79Å; L267-L271 VanDerWaalsContact O-CB 3.31Å; L267-L271 WeakPolarHBondContact O-CB 3.06Å; L267-L271 WeakPolarHBondContact O-CG 2.85Å; L267-L271 PolarHBondContact O-N 2.77Å; L267-L290 HydrophobicContact CD1-CD2 4.44Å; L267-L293 HydrophobicContact CD1-CD1 3.7Å; L267-L308 HydrophobicContact CD2-CD2 3.83Å; L267-L311 HydrophobicContact CD1-CD1 4.22Å; L267-L345 HydrophobicContact CD2-CD1 3.36Å
268C94.5Very high92.4Very high40 Ų4056.8 Ų56.827%0.2730%0.3SS..Hα-helixtrans-61-40.9176.6-670000111.9P264 D265 L266 R272P264-C268 PolarHBondContact O-N 3.38Å; D265-C268 WeakPolarHBondContact O-CB 3.31Å; D265-C268 PolarHBondContact O-N 3.17Å; L266-C268 VanDerWaalsContact C-N 3.33Å; C268-R272 PolarHBondContact O-N 3.28Å; C268-R272 VanDerWaalsContact O-N 3.11Å
269D94.1Very high92.4Very high86 Ų8662.1 Ų62.146%0.4632%0.324SS..Hα-helixtrans-67.7-43.9178.9-78.3-30.3000112.8D265 L266 L267 R272D265-D269 PolarHBondContact O-N 3Å; L266-D269 PolarHBondContact O-N 3.02Å; L267-D269 VanDerWaalsContact C-N 3.31Å; L267-D269 PolarHBondContact O-N 3.18Å; D269-R272 WeakPolarHBondContact O-CB 3.32Å; D269-R272 PolarHBondContact O-N 3.41Å; D269-R272 IonicContact OD1-CZ 2.96Å; D269-R272 IonicContact OD1-NH2 3.96Å; D269-R272 PolarHBondContact OD1-NH2 2.99Å
270I94.3Very high92.2Very high41 Ų4161.3 Ų61.321%0.2132%0.318CS..Hα-helixtrans-68.1-38179.4-70.1168.5000111.5L266 L267 R272 T341 T344 L345L266-I270 HydrophobicContact CD1-CD1 3.92Å; L266-I270 HydrophobicContact CD1-CG1 4.16Å; L266-I270 HydrophobicContact CD2-CD1 4.47Å; L266-I270 HydrophobicContact CG-CD1 3.84Å; L266-I270 HydrophobicContact CG-CG1 4.47Å; L266-I270 WeakPolarHBondContact O-CG1 3.32Å; L266-I270 PolarHBondContact O-N 3.24Å; L267-I270 PolarHBondContact O-N 2.79Å; I270-R272 VanDerWaalsContact C-N 3.3Å; I270-T341 HydrophobicContact CG2-CG2 4.08Å; I270-T344 HydrophobicContact CG2-CG2 3.97Å; I270-L345 VanDerWaalsContact CD1-CA 3.47Å; I270-L345 HydrophobicContact CD1-CB 3.65Å; I270-L345 HydrophobicContact CD1-CD1 3.93Å; I270-L345 HydrophobicContact CD1-CG 3.72Å
271L92.4Very high92.1Very high10 Ų1061.4 Ų61.45%0.05232%0.318CS..THydrogen-bonded Turntrans-93.715.6-177.8-63.2172.6000112.7L267 G273 E274 L277 L311 T341L267-L271 VanDerWaalsContact O-CB 3.31Å; L267-L271 WeakPolarHBondContact O-CB 3.06Å; L267-L271 WeakPolarHBondContact O-CG 2.85Å; L267-L271 PolarHBondContact O-N 2.77Å; L271-G273 PolarHBondContact O-N 2.97Å; L271-G273 VanDerWaalsContact O-N 3.13Å; L271-E274 HydrophobicContact CB-CB 4.41Å; L271-E274 HydrophobicContact CB-CG 4.08Å; L271-E274 HydrophobicContact CD2-CG 4.07Å; L271-E274 VanDerWaalsContact O-CB 3.31Å; L271-E274 WeakPolarHBondContact O-CB 3.22Å; L271-E274 PolarHBondContact O-N 3.41Å; L271-L277 HydrophobicContact CB-CD1 4.01Å; L271-L277 HydrophobicContact CB-CD2 4.18Å; L271-L277 HydrophobicContact CD1-CD1 4.23Å; L271-L311 HydrophobicContact CD1-CB 3.82Å; L271-L311 HydrophobicContact CD1-CD1 3.78Å; L271-L311 HydrophobicContact CD1-CD2 4.38Å; L271-L311 HydrophobicContact CD1-CG 4.19Å; L271-T341 HydrophobicContact CD2-CG2 3.77Å; L271-T341 HydrophobicContact CG-CG2 4.29Å
272R90.3Very high91.9Very high192 Ų19263.9 Ų63.973%0.72533%0.33SS*.THydrogen-bonded Turntrans-55.5121.4-179.7-169.9-178.4-65.1-172.70.2110.1C268 D269 I270C268-R272 PolarHBondContact O-N 3.28Å; C268-R272 VanDerWaalsContact O-N 3.11Å; D269-R272 WeakPolarHBondContact O-CB 3.32Å; D269-R272 PolarHBondContact O-N 3.41Å; D269-R272 IonicContact OD1-CZ 2.96Å; D269-R272 IonicContact OD1-NH2 3.96Å; D269-R272 PolarHBondContact OD1-NH2 2.99Å; I270-R272 VanDerWaalsContact C-N 3.3Å
273G83.7Confident91.6Very high75 Ų7565.3 Ų65.377%0.77334%0.336SS*.THydrogen-bonded Turntrans97.4-4.6-176.900000115.1L271L271-G273 PolarHBondContact O-N 2.97Å; L271-G273 VanDerWaalsContact O-N 3.13Å
274E85.3Confident91.4Very high61 Ų6163.4 Ų63.429%0.28533%0.327SS..  trans-63.7136.8169.6-82-64.6163.200111.5L271 S276 L277 R337L271-E274 HydrophobicContact CB-CB 4.41Å; L271-E274 HydrophobicContact CB-CG 4.08Å; L271-E274 HydrophobicContact CD2-CG 4.07Å; L271-E274 VanDerWaalsContact O-CB 3.31Å; L271-E274 WeakPolarHBondContact O-CB 3.22Å; L271-E274 PolarHBondContact O-N 3.41Å; E274-S276 PolarHBondContact O-N 3.38Å; E274-L277 HydrophobicContact CB-CB 4.39Å; E274-L277 PolarHBondContact O-N 3.24Å; E274-R337 IonicContact OE1-CZ 3.89Å; E274-R337 IonicContact OE1-NE 3.66Å; E274-R337 IonicContact OE1-NH2 3.7Å
275K85.3Confident91.4Very high177 Ų17768.6 Ų68.677%0.7734%0.343SS*.THydrogen-bonded Turntrans-66132.6179.7-67.8-174.9-179.3-1780109.8L277K275-L277 PolarHBondContact O-N 3.37Å
276S88.1Confident91.3Very high45 Ų4569.2 Ų69.232%0.31534%0.342SS..THydrogen-bonded Turntrans61.426.7177.4-52.40000114.8E274 D278 Q279 K280E274-S276 PolarHBondContact O-N 3.38Å; S276-D278 VanDerWaalsContact C-N 3.3Å; S276-D278 PolarHBondContact O-N 3.35Å; S276-Q279 VanDerWaalsContact CB-OE1 3.27Å; S276-Q279 PolarHBondContact O-N 3.27Å; S276-Q279 PolarHBondContact O-OE1 3.13Å; S276-K280 WeakPolarHBondContact O-CG 3.32Å; S276-K280 PolarHBondContact O-N 3.21Å
277L91.4Very high91Very high19 Ų1971.3 Ų71.310%0.09935%0.354CS..Hα-helixtrans-55-45.1178.6179.962000111.9L271 E274 K275 Q279 K280 M281 L311L271-L277 HydrophobicContact CB-CD1 4.01Å; L271-L277 HydrophobicContact CB-CD2 4.18Å; L271-L277 HydrophobicContact CD1-CD1 4.23Å; E274-L277 HydrophobicContact CB-CB 4.39Å; E274-L277 PolarHBondContact O-N 3.24Å; K275-L277 PolarHBondContact O-N 3.37Å; L277-Q279 PolarHBondContact O-N 3.44Å; L277-K280 PolarHBondContact O-N 3.28Å; L277-M281 HydrophobicContact CD1-CG 3.95Å; L277-M281 HydrophobicContact CG-CG 4.24Å; L277-M281 WeakPolarHBondContact O-CB 3.4Å; L277-M281 WeakPolarHBondContact O-CG 3.46Å; L277-M281 PolarHBondContact O-N 3.07Å; L277-L311 HydrophobicContact CD1-CD2 3.87Å
278D91.6Very high90.7Very high125 Ų12576 Ų7667%0.66838%0.379SS*.Hα-helixtrans-61-43.7-179.3-64-35.6000112.4S276 M281 K282S276-D278 VanDerWaalsContact C-N 3.3Å; S276-D278 PolarHBondContact O-N 3.35Å; D278-M281 PolarHBondContact O-N 3.43Å; D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.43Å; D278-K282 PolarHBondContact O-N 3.06Å
279Q90.9Very high90.5Very high122 Ų12275.7 Ų75.757%0.5737%0.373SS*.Hα-helixtrans-65.9-39.4177.1-65.788.26.600111.6S276 L277 K282 F283S276-Q279 VanDerWaalsContact CB-OE1 3.27Å; S276-Q279 PolarHBondContact O-N 3.27Å; S276-Q279 PolarHBondContact O-OE1 3.13Å; L277-Q279 PolarHBondContact O-N 3.44Å; Q279-K282 PolarHBondContact O-N 3.01Å; Q279-F283 PolarHBondContact O-N 3.04Å
280K91.3Very high90.4Very high10 Ų1072.5 Ų72.54%0.04336%0.356CS..Hα-helixtrans-67.7-43.3177.8-68.9169.6171.4-178.80111.8S276 L277 K282 F283 L284 L311 L313 Y318S276-K280 WeakPolarHBondContact O-CG 3.32Å; S276-K280 PolarHBondContact O-N 3.21Å; L277-K280 PolarHBondContact O-N 3.28Å; K280-K282 VanDerWaalsContact C-N 3.33Å; K280-K282 PolarHBondContact O-N 3.03Å; K280-F283 WeakPolarHBondContact O-CB 3.43Å; K280-F283 PolarHBondContact O-N 3.07Å; K280-L284 WeakPolarHBondContact O-CG 3.34Å; K280-L284 PolarHBondContact O-N 3.12Å; K280-L311 HydrophobicContact CB-CD2 3.92Å; K280-L311 PolarHBondContact NZ-O 2.95Å; K280-L313 VanDerWaalsContact CE-O 3.28Å; K280-L313 WeakPolarHBondContact CE-O 3.49Å; K280-L313 PolarHBondContact NZ-O 3.16Å; K280-Y318 HydrophobicContact CG-CE2 4.36Å
281M94.1Very high90.2Very high6 Ų676 Ų763%0.0337%0.371CS..Hα-helixtrans-63.5-40.2175.2-73.2-59.2-69.300111.4P264 L277 D278 L284 R285 L290 L311P264-M281 HydrophobicContact CB-CE 3.99Å; L277-M281 HydrophobicContact CD1-CG 3.95Å; L277-M281 HydrophobicContact CG-CG 4.24Å; L277-M281 WeakPolarHBondContact O-CB 3.4Å; L277-M281 WeakPolarHBondContact O-CG 3.46Å; L277-M281 PolarHBondContact O-N 3.07Å; D278-M281 PolarHBondContact O-N 3.43Å; M281-L284 PolarHBondContact O-N 3.39Å; M281-L284 HydrophobicContact SD-CD1 4.4Å; M281-R285 WeakPolarHBondContact O-CB 3.27Å; M281-R285 PolarHBondContact O-N 3.41Å; M281-L290 HydrophobicContact CE-CD1 3.79Å; M281-L290 HydrophobicContact CE-CD2 3.94Å; M281-L290 HydrophobicContact SD-CD2 4.36Å; M281-L311 HydrophobicContact CG-CD2 4.27Å; M281-L311 HydrophobicContact SD-CD1 4.3Å; M281-L311 HydrophobicContact SD-CD2 3.76Å
282K92.5Very high90Very high120 Ų12080.3 Ų80.352%0.52239%0.394SS..Hα-helixtrans-59.8-48172.7-177.9175.5174.3178.20111.4D278 Q279 K280 L284 R285 E286D278-K282 VanDerWaalsContact O-CB 3.31Å; D278-K282 WeakPolarHBondContact O-CB 3.43Å; D278-K282 PolarHBondContact O-N 3.06Å; Q279-K282 PolarHBondContact O-N 3.01Å; K280-K282 VanDerWaalsContact C-N 3.33Å; K280-K282 PolarHBondContact O-N 3.03Å; K282-L284 PolarHBondContact O-N 2.91Å; K282-R285 WeakPolarHBondContact O-CB 3.25Å; K282-R285 PolarHBondContact O-N 3.26Å; K282-E286 WeakPolarHBondContact CE-OE1 3.44Å; K282-E286 HydrophobicContact CG-CG 4.38Å; K282-E286 IonicContact NZ-OE1 3.1Å; K282-E286 WeakPolarHBondContact O-CG 3.49Å; K282-E286 PolarHBondContact O-N 2.95Å
283F90.1Very high90.3Very high34 Ų3471.2 Ų71.215%0.14936%0.36CS..Hα-helixtrans-57.8-47.7176.4173.5-93.9000112.3Q279 K280 R285 E286 N287 L310 Y318 W321Q279-F283 PolarHBondContact O-N 3.04Å; K280-F283 WeakPolarHBondContact O-CB 3.43Å; K280-F283 PolarHBondContact O-N 3.07Å; F283-R285 VanDerWaalsContact C-N 3.28Å; F283-R285 PolarHBondContact O-N 3.28Å; F283-E286 PolarHBondContact O-N 3.17Å; F283-N287 WeakPolarHBondContact CD2-ND2 3.39Å; F283-N287 WeakPolarHBondContact CE2-ND2 3.32Å; F283-N287 WeakPolarHBondContact O-CB 3.44Å; F283-N287 PolarHBondContact O-N 3.38Å; F283-N287 VanDerWaalsContact O-N 3.1Å; F283-N287 PolarHBondContact O-ND2 2.96Å; F283-L310 HydrophobicContact CE1-CD1 4.24Å; F283-Y318 WeakPolarHBondContact CB-OH 3.44Å; F283-Y318 WeakPolarHBondContact CD1-OH 3.11Å; F283-Y318 WeakPolarHBondContact CG-OH 3.5Å; F283-W321 HydrophobicContact CZ-CD2 4.1Å; F283-W321 AromaticContact CZ-CE3 3.84Å; F283-W321 HydrophobicContact CZ-CE3 3.84Å; F283-W321 HydrophobicContact CZ-CZ3 4.15Å
284L91.7Very high90.9Very high0 Ų068.7 Ų68.70%033%0.329CS..Hα-helixtrans-62.3-36.6178.2-68.9174.8000112K280 M281 K282 N288 F289 L290 A307 L310 L311K280-L284 WeakPolarHBondContact O-CG 3.34Å; K280-L284 PolarHBondContact O-N 3.12Å; M281-L284 PolarHBondContact O-N 3.39Å; M281-L284 HydrophobicContact SD-CD1 4.4Å; K282-L284 PolarHBondContact O-N 2.91Å; L284-N288 PolarHBondContact O-N 2.87Å; L284-F289 HydrophobicContact CB-CB 4.3Å; L284-F289 HydrophobicContact CD2-CB 3.76Å; L284-F289 HydrophobicContact CD2-CG 4.42Å; L284-F289 PolarHBondContact O-N 2.91Å; L284-L290 HydrophobicContact CB-CD1 4.23Å; L284-L290 HydrophobicContact CB-CD2 3.72Å; L284-L290 HydrophobicContact CB-CG 3.71Å; L284-L290 HydrophobicContact CD1-CD2 3.86Å; L284-L290 HydrophobicContact CG-CD2 4.44Å; L284-A307 HydrophobicContact CD1-CB 4.27Å; L284-L310 HydrophobicContact CD2-CB 4.21Å; L284-L310 HydrophobicContact CD2-CD1 3.58Å; L284-L311 HydrophobicContact CD1-CD1 4.02Å; L284-L311 HydrophobicContact CD1-CD2 3.9Å; L284-L311 HydrophobicContact CD1-CG 3.78Å
285R93.3Very high91.5Very high139 Ų13965.8 Ų65.853%0.52532%0.316SS..Hα-helixtrans-66.9-50.6176.9-169.2177.4-69.2111.6-3.6111.6M281 K282 F283 N287 N288 L290M281-R285 WeakPolarHBondContact O-CB 3.27Å; M281-R285 PolarHBondContact O-N 3.41Å; K282-R285 WeakPolarHBondContact O-CB 3.25Å; K282-R285 PolarHBondContact O-N 3.26Å; F283-R285 VanDerWaalsContact C-N 3.28Å; F283-R285 PolarHBondContact O-N 3.28Å; R285-N287 PolarHBondContact O-N 3.47Å; R285-N288 PolarHBondContact O-N 3.24Å; R285-N288 VanDerWaalsContact O-N 3.08Å; R285-L290 HydrophobicContact CB-CD1 3.87Å
286E92.1Very high91.9Very high126 Ų12659.1 Ų59.159%0.58929%0.292SS*.Hα-helixtrans-63.6-25.9-178.8-71.9174.716700113K282 F283K282-E286 WeakPolarHBondContact CE-OE1 3.44Å; K282-E286 HydrophobicContact CG-CG 4.38Å; K282-E286 IonicContact NZ-OE1 3.1Å; K282-E286 WeakPolarHBondContact O-CG 3.49Å; K282-E286 PolarHBondContact O-N 2.95Å; F283-E286 PolarHBondContact O-N 3.17Å
287N88Confident92.2Very high68 Ų6858.2 Ų58.236%0.36429%0.286SS..THydrogen-bonded Turntrans-100.114.1177.8-68.4-90.5000113.3F283 R285 F289F283-N287 WeakPolarHBondContact CD2-ND2 3.39Å; F283-N287 WeakPolarHBondContact CE2-ND2 3.32Å; F283-N287 WeakPolarHBondContact O-CB 3.44Å; F283-N287 PolarHBondContact O-N 3.38Å; F283-N287 VanDerWaalsContact O-N 3.1Å; F283-N287 PolarHBondContact O-ND2 2.96Å; R285-N287 PolarHBondContact O-N 3.47Å; N287-F289 VanDerWaalsContact C-N 3.32Å; N287-F289 HydrophobicContact CB-CD2 3.52Å; N287-F289 HydrophobicContact CB-CE2 3.64Å; N287-F289 WeakPolarHBondContact O-CD2 3.38Å; N287-F289 WeakPolarHBondContact O-CE2 3.28Å; N287-F289 PolarHBondContact O-N 3.44Å
288N89.6Confident92.1Very high101 Ų10165.1 Ų65.154%0.5432%0.317SS..THydrogen-bonded Turntrans52.544.7178.3-57.3-48.4000113.3L284 R285 R303L284-N288 PolarHBondContact O-N 2.87Å; R285-N288 PolarHBondContact O-N 3.24Å; R285-N288 VanDerWaalsContact O-N 3.08Å; N288-R303 PolarHBondContact O-NH1 3.42Å; N288-R303 PolarHBondContact O-NH2 2.88Å
289F89.6Confident92.2Very high33 Ų3359.5 Ų59.515%0.14529%0.289CS..  trans-101.7-5.5175.5-75.9-65.3000114.2L284 N287 L293 L325L284-F289 HydrophobicContact CB-CB 4.3Å; L284-F289 HydrophobicContact CD2-CB 3.76Å; L284-F289 HydrophobicContact CD2-CG 4.42Å; L284-F289 PolarHBondContact O-N 2.91Å; N287-F289 VanDerWaalsContact C-N 3.32Å; N287-F289 HydrophobicContact CB-CD2 3.52Å; N287-F289 HydrophobicContact CB-CE2 3.64Å; N287-F289 WeakPolarHBondContact O-CD2 3.38Å; N287-F289 WeakPolarHBondContact O-CE2 3.28Å; N287-F289 PolarHBondContact O-N 3.44Å; F289-L293 WeakPolarHBondContact O-CD2 3.44Å; F289-L325 HydrophobicContact CD1-CD1 4.19Å; F289-L325 HydrophobicContact CD2-CD1 4.15Å; F289-L325 HydrophobicContact CE1-CD1 3.59Å; F289-L325 HydrophobicContact CE1-CG 4.39Å; F289-L325 HydrophobicContact CE2-CD1 3.52Å; F289-L325 HydrophobicContact CE2-CD2 4.44Å; F289-L325 HydrophobicContact CG-CD1 4.48Å; F289-L325 HydrophobicContact CZ-CD1 3.24Å; F289-L325 HydrophobicContact CZ-CD2 3.85Å; F289-L325 HydrophobicContact CZ-CG 4Å
290L92.1Very high92.4Very high19 Ų1954.9 Ų54.910%0.09927%0.27CS..SBendtrans-92.2-3.8-179.3-66-179.8000115.1P264 L267 M281 L284 R285 L293P264-L290 HydrophobicContact CB-CD1 4.39Å; P264-L290 HydrophobicContact CG-CB 4.17Å; L267-L290 HydrophobicContact CD1-CD2 4.44Å; M281-L290 HydrophobicContact CE-CD1 3.79Å; M281-L290 HydrophobicContact CE-CD2 3.94Å; M281-L290 HydrophobicContact SD-CD2 4.36Å; L284-L290 HydrophobicContact CB-CD1 4.23Å; L284-L290 HydrophobicContact CB-CD2 3.72Å; L284-L290 HydrophobicContact CB-CG 3.71Å; L284-L290 HydrophobicContact CD1-CD2 3.86Å; L284-L290 HydrophobicContact CG-CD2 4.44Å; R285-L290 HydrophobicContact CB-CD1 3.87Å; L290-L293 HydrophobicContact CD2-CD1 4.34Å
291E89.9Confident92.6Very high114 Ų11455.8 Ų55.853%0.53328%0.277SS..SBendtrans-83.3159.3175-43.4178155.100111.5L293 R303E291-L293 PolarHBondContact O-N 3.17Å; E291-R303 VanDerWaalsContact CB-NH2 3.28Å; E291-R303 VanDerWaalsContact O-CZ 3.25Å; E291-R303 PolarHBondContact O-NE 2.91Å; E291-R303 PolarHBondContact O-NH2 3.29Å
292N90.1Very high92.4Very high100 Ų10062.7 Ų62.754%0.53530%0.303SS..SBendtrans50.334.9171.4-62.3-41.3000115.2T294N292-T294 PolarHBondContact O-N 2.96Å
293L95.4Very high92.4Very high2 Ų259.7 Ų59.71%0.0129%0.288CS..  trans-76116.2170.6-55.6-175.1000108.1Y261 V262 L267 F289 L290 E291 R303 L304 A307Y261-L293 WeakPolarHBondContact CA-O 3.36Å; V262-L293 HydrophobicContact CB-CB 3.95Å; V262-L293 PolarHBondContact N-O 2.94Å; L267-L293 HydrophobicContact CD1-CD1 3.7Å; F289-L293 WeakPolarHBondContact O-CD2 3.44Å; L290-L293 HydrophobicContact CD2-CD1 4.34Å; E291-L293 PolarHBondContact O-N 3.17Å; L293-R303 HydrophobicContact CD2-CG 4.14Å; L293-L304 HydrophobicContact CB-CD1 4.32Å; L293-A307 HydrophobicContact CD2-CB 4.28Å
294T96.8Very high92.6Very high21 Ų2158.1 Ų58.113%0.12928%0.282CS..EExtended strand (participates in β ladder)trans-141.1154.1-166.953.10000112.6V259 V260 Y261 N292 S301 L304V259-T294 HydrophobicContact CB-CG2 4.27Å; V259-T294 HydrophobicContact CG2-CG2 3.84Å; V260-T294 CarbonylContact O-C 3.44Å; V260-T294 VanDerWaalsContact O-CA 3.28Å; V260-T294 WeakPolarHBondContact O-CA 3.4Å; Y261-T294 HydrophobicContact CD1-CG2 3.67Å; Y261-T294 HydrophobicContact CD2-CG2 4.47Å; Y261-T294 HydrophobicContact CE1-CG2 3.65Å; Y261-T294 HydrophobicContact CE2-CG2 4.47Å; Y261-T294 HydrophobicContact CG-CG2 4.11Å; N292-T294 PolarHBondContact O-N 2.96Å; T294-S301 WeakPolarHBondContact O-CB 3.43Å; T294-S301 PolarHBondContact O-N 3.43Å; T294-S301 PolarHBondContact O-OG 2.94Å; T294-S301 VanDerWaalsContact OG1-CB 3.27Å; T294-S301 WeakPolarHBondContact OG1-CB 3.47Å; T294-S301 PolarHBondContact OG1-OG 3.21Å; T294-L304 WeakPolarHBondContact O-CD2 3.29Å
295V96.6Very high92.7Very high0 Ų059.1 Ų59.10%029%0.286CS..EExtended strand (participates in β ladder)trans-123.7131.1174.3177.70000108.9V259 V260 V262 L304 I388 L389 C392V259-V295 CarbonylContact C-O 3.5Å; V259-V295 VanDerWaalsContact CA-O 3.29Å; V259-V295 WeakPolarHBondContact CA-O 3.32Å; V260-V295 HydrophobicContact CB-CB 4.46Å; V260-V295 PolarHBondContact N-O 3.31Å; V260-V295 PolarHBondContact O-N 3.27Å; V262-V295 HydrophobicContact CG2-CG2 3.96Å; V295-L304 HydrophobicContact CG2-CD2 3.68Å; V295-I388 HydrophobicContact CG1-CG2 4.4Å; V295-I388 WeakPolarHBondContact O-CG2 3.49Å; V295-L389 HydrophobicContact CG1-CD2 4.25Å; V295-C392 HydrophobicContact CG1-CB 3.66Å; V295-C392 WeakPolarHBondContact CG1-SG 2.8Å
296S95.5Very high92.6Very high38 Ų3852.5 Ų52.527%0.26626%0.261SS..EExtended strand (participates in β ladder)trans-112.6171.6173730000110.4E298 G299 C392S296-E298 PolarHBondContact O-N 3.24Å; S296-E298 VanDerWaalsContact O-N 3.14Å; S296-E298 PolarHBondContact OG-N 2.92Å; S296-G299 PolarHBondContact N-O 2.99Å; S296-G299 PolarHBondContact O-N 3.42Å; S296-G299 PolarHBondContact OG-N 3.25Å; S296-G299 PolarHBondContact OG-O 3.47Å; S296-C392 WeakPolarHBondContact O-CB 3.34Å
297S92.8Very high92.6Very high26 Ų2646.5 Ų46.518%0.18223%0.233CC..THydrogen-bonded Turntrans-62.1-20.717658.90000113N391S297-N391 CarbonylContact O-C 3.5Å; S297-N391 WeakPolarHBondContact O-CB 3.11Å
298E91Very high92.9Very high164 Ų16443.2 Ų43.277%0.76622%0.216SC*.THydrogen-bonded Turntrans-89.7-7.7178.4-56-62.8146.900112.9S296S296-E298 PolarHBondContact O-N 3.24Å; S296-E298 VanDerWaalsContact O-N 3.14Å; S296-E298 PolarHBondContact OG-N 2.92Å
299G93.6Very high93Very high7 Ų740 Ų407%0.07220%0.196CC..EExtended strand (participates in β ladder)trans133.4179.8179.500000114.8S296S296-G299 PolarHBondContact N-O 2.99Å; S296-G299 PolarHBondContact O-N 3.42Å; S296-G299 PolarHBondContact OG-N 3.25Å; S296-G299 PolarHBondContact OG-O 3.47Å
300P95.1Very high93Very high25 Ų2538.6 Ų38.616%0.16219%0.19CC..EExtended strand (participates in β ladder)trans-59.9145.7173-22.935.1000112.3L304 M305 A342 L396P300-L304 HydrophobicContact CB-CD2 3.94Å; P300-L304 HydrophobicContact CB-CG 4.25Å; P300-M305 HydrophobicContact CB-CG 3.93Å; P300-M305 HydrophobicContact CB-SD 3.76Å; P300-M305 HydrophobicContact CG-SD 3.97Å; P300-A342 HydrophobicContact CG-CB 3.99Å; P300-L396 HydrophobicContact CG-CD1 4.16Å; P300-L396 HydrophobicContact CG-CD2 4.11Å
301S94.1Very high93Very high29 Ų2937.8 Ų37.820%0.20319%0.186CC..  trans-65.9154.2173.376.70000111.4T294 R303 L304 M305T294-S301 WeakPolarHBondContact O-CB 3.43Å; T294-S301 PolarHBondContact O-N 3.43Å; T294-S301 PolarHBondContact O-OG 2.94Å; T294-S301 VanDerWaalsContact OG1-CB 3.27Å; T294-S301 WeakPolarHBondContact OG1-CB 3.47Å; T294-S301 PolarHBondContact OG1-OG 3.21Å; S301-R303 PolarHBondContact O-N 3.27Å; S301-L304 WeakPolarHBondContact O-CB 3.23Å; S301-L304 PolarHBondContact O-N 3.06Å; S301-L304 VanDerWaalsContact O-N 3.1Å; S301-L304 PolarHBondContact OG-N 3.37Å; S301-M305 PolarHBondContact O-N 3.14Å
302W90.5Very high92.9Very high150 Ų15032.5 Ų32.557%0.56816%0.161SC*.Hα-helixtrans-52.3-41.4176.4176.187.1000111.9M305 V306 L325W302-M305 PolarHBondContact O-N 2.7Å; W302-V306 HydrophobicContact CD2-CG2 3.91Å; W302-V306 HydrophobicContact CE3-CG2 4.14Å; W302-V306 HydrophobicContact CH2-CG2 3.85Å; W302-V306 HydrophobicContact CZ2-CG2 3.6Å; W302-V306 HydrophobicContact CZ3-CG2 4.1Å; W302-V306 WeakPolarHBondContact O-CG2 3.33Å; W302-V306 PolarHBondContact O-N 3.02Å; W302-L325 WeakPolarHBondContact CH2-O 3.17Å; W302-L325 WeakPolarHBondContact CZ2-O 3.45Å
303R92.5Very high92.9Very high58 Ų5827.8 Ų27.822%0.21914%0.136CC..Hα-helixtrans-67.6-39.8-179-171.9168.1159.2118.6-9.1112.5N288 E291 L293 S301 V306 A307N288-R303 PolarHBondContact O-NH1 3.42Å; N288-R303 PolarHBondContact O-NH2 2.88Å; E291-R303 VanDerWaalsContact CB-NH2 3.28Å; E291-R303 VanDerWaalsContact O-CZ 3.25Å; E291-R303 PolarHBondContact O-NE 2.91Å; E291-R303 PolarHBondContact O-NH2 3.29Å; L293-R303 HydrophobicContact CD2-CG 4.14Å; S301-R303 PolarHBondContact O-N 3.27Å; R303-V306 PolarHBondContact O-N 3.04Å; R303-A307 PolarHBondContact O-N 3.44Å
304L94.9Very high92.4Very high1 Ų129.7 Ų29.71%0.00515%0.148CC..Hα-helixtrans-60.9-45.5171176.654.9000111V262 L293 T294 V295 P300 S301 V306 A307 L308V262-L304 HydrophobicContact CG1-CD1 4.44Å; V262-L304 HydrophobicContact CG2-CD2 3.82Å; L293-L304 HydrophobicContact CB-CD1 4.32Å; T294-L304 WeakPolarHBondContact O-CD2 3.29Å; V295-L304 HydrophobicContact CG2-CD2 3.68Å; P300-L304 HydrophobicContact CB-CD2 3.94Å; P300-L304 HydrophobicContact CB-CG 4.25Å; S301-L304 WeakPolarHBondContact O-CB 3.23Å; S301-L304 PolarHBondContact O-N 3.06Å; S301-L304 VanDerWaalsContact O-N 3.1Å; S301-L304 PolarHBondContact OG-N 3.37Å; L304-V306 PolarHBondContact O-N 3.3Å; L304-A307 PolarHBondContact O-N 3.41Å; L304-L308 HydrophobicContact CD1-CD1 4.1Å; L304-L308 HydrophobicContact CD1-CD2 4.49Å; L304-L308 HydrophobicContact CD1-CG 4.04Å; L304-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 VanDerWaalsContact O-CG 3.31Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.44Å
305M93.2Very high91.8Very high20 Ų2034.4 Ų34.410%0.09917%0.169CC..Hα-helixtrans-63.3-39.6177.3-68.7-54.5-59.600113P300 S301 W302 L308 R309 A342P300-M305 HydrophobicContact CB-CG 3.93Å; P300-M305 HydrophobicContact CB-SD 3.76Å; P300-M305 HydrophobicContact CG-SD 3.97Å; S301-M305 PolarHBondContact O-N 3.14Å; W302-M305 PolarHBondContact O-N 2.7Å; M305-L308 PolarHBondContact O-N 3.12Å; M305-L308 HydrophobicContact SD-CD1 4.34Å; M305-R309 WeakPolarHBondContact O-CB 3.47Å; M305-R309 VanDerWaalsContact O-CG 3.31Å; M305-R309 WeakPolarHBondContact O-CG 3.47Å; M305-R309 PolarHBondContact O-N 3.47Å; M305-A342 HydrophobicContact SD-CB 3.99Å
306V90.9Very high91.2Very high0 Ų039.9 Ų39.90%020%0.203CC..Hα-helixtrans-61.2-45.9174.4167.50000111.4W302 R303 L304 L308 R309 L310 L325W302-V306 HydrophobicContact CD2-CG2 3.91Å; W302-V306 HydrophobicContact CE3-CG2 4.14Å; W302-V306 HydrophobicContact CH2-CG2 3.85Å; W302-V306 HydrophobicContact CZ2-CG2 3.6Å; W302-V306 HydrophobicContact CZ3-CG2 4.1Å; W302-V306 WeakPolarHBondContact O-CG2 3.33Å; W302-V306 PolarHBondContact O-N 3.02Å; R303-V306 PolarHBondContact O-N 3.04Å; L304-V306 PolarHBondContact O-N 3.3Å; V306-L308 VanDerWaalsContact C-N 3.35Å; V306-L308 PolarHBondContact O-N 2.65Å; V306-R309 PolarHBondContact O-N 2.89Å; V306-L310 HydrophobicContact CG1-CD1 4.14Å; V306-L310 WeakPolarHBondContact O-CG 3.33Å; V306-L310 PolarHBondContact O-N 3.41Å; V306-L325 HydrophobicContact CG1-CD1 3.69Å; V306-L325 HydrophobicContact CG1-CG 4.37Å
307A93.4Very high90.7Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-59.1-46.5175.900000111.2L284 L293 R303 L304 R309 L310 L311L284-A307 HydrophobicContact CD1-CB 4.27Å; L293-A307 HydrophobicContact CD2-CB 4.28Å; R303-A307 PolarHBondContact O-N 3.44Å; L304-A307 PolarHBondContact O-N 3.41Å; A307-R309 PolarHBondContact O-N 2.8Å; A307-L310 PolarHBondContact O-N 3.04Å; A307-L311 WeakPolarHBondContact O-CB 3.4Å; A307-L311 WeakPolarHBondContact O-CD1 3.16Å; A307-L311 WeakPolarHBondContact O-CG 3.39Å; A307-L311 PolarHBondContact O-N 3.45Å
308L93.4Very high90.3Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-65.1-36.3179.2-66.8179.8000113.3L267 L304 M305 V306 L311 S312 T341 A342L267-L308 HydrophobicContact CD2-CD2 3.83Å; L304-L308 HydrophobicContact CD1-CD1 4.1Å; L304-L308 HydrophobicContact CD1-CD2 4.49Å; L304-L308 HydrophobicContact CD1-CG 4.04Å; L304-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 VanDerWaalsContact O-CG 3.31Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.44Å; M305-L308 PolarHBondContact O-N 3.12Å; M305-L308 HydrophobicContact SD-CD1 4.34Å; V306-L308 VanDerWaalsContact C-N 3.35Å; V306-L308 PolarHBondContact O-N 2.65Å; L308-L311 HydrophobicContact CD2-CD1 4.49Å; L308-L311 PolarHBondContact O-N 2.76Å; L308-S312 VanDerWaalsContact O-CB 3.22Å; L308-S312 WeakPolarHBondContact O-CB 3.41Å; L308-S312 PolarHBondContact O-N 3.41Å; L308-S312 PolarHBondContact O-OG 3.39Å; L308-T341 HydrophobicContact CD2-CG2 3.71Å; L308-A342 HydrophobicContact CD1-CB 3.54Å
309R90.8Very high90Very high34 Ų3440 Ų4013%0.12820%0.195CC..Hα-helixtrans-64.6-47.1173.9-75178.3-171.6114.63.6111.6M305 V306 A307 L311 S312 L313 E335M305-R309 WeakPolarHBondContact O-CB 3.47Å; M305-R309 VanDerWaalsContact O-CG 3.31Å; M305-R309 WeakPolarHBondContact O-CG 3.47Å; M305-R309 PolarHBondContact O-N 3.47Å; V306-R309 PolarHBondContact O-N 2.89Å; A307-R309 PolarHBondContact O-N 2.8Å; R309-L311 VanDerWaalsContact C-N 3.31Å; R309-L311 PolarHBondContact O-N 3.43Å; R309-S312 CarbonylContact O-C 3.57Å; R309-S312 PolarHBondContact O-N 3.08Å; R309-L313 PolarHBondContact O-N 2.86Å; R309-E335 IonicContact CZ-OE1 3.41Å; R309-E335 IonicContact CZ-OE2 3.69Å; R309-E335 IonicContact NE-OE1 3.24Å; R309-E335 PolarHBondContact NE-OE1 3.44Å; R309-E335 IonicContact NE-OE2 2.79Å; R309-E335 PolarHBondContact NE-OE2 3.24Å; R309-E335 IonicContact NH2-OE1 2.72Å; R309-E335 PolarHBondContact NH2-OE1 3.46Å; R309-E335 IonicContact NH2-OE2 3.73Å
310L90.6Very high89.6Confident3 Ų342.3 Ų42.32%0.01621%0.206CC..Hα-helixtrans-63.3-39176.9-71.3174.3000111.9F283 L284 V306 A307 S312 L313 W321 A324 L325F283-L310 HydrophobicContact CE1-CD1 4.24Å; L284-L310 HydrophobicContact CD2-CB 4.21Å; L284-L310 HydrophobicContact CD2-CD1 3.58Å; V306-L310 HydrophobicContact CG1-CD1 4.14Å; V306-L310 WeakPolarHBondContact O-CG 3.33Å; V306-L310 PolarHBondContact O-N 3.41Å; A307-L310 PolarHBondContact O-N 3.04Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 PolarHBondContact O-N 2.96Å; L310-L313 WeakPolarHBondContact O-CB 3.21Å; L310-L313 PolarHBondContact O-N 2.88Å; L310-W321 HydrophobicContact CD2-CB 3.92Å; L310-A324 HydrophobicContact CD2-CB 4Å; L310-L325 HydrophobicContact CD1-CD1 4.03Å
311L91.6Very high89.2Confident2 Ų244.3 Ų44.31%0.0121%0.21CC..Hα-helixtrans-65.4-37.4174.8-71.5165.6000111.9L267 L271 L277 K280 M281 L284 A307 L308 R309 L313L267-L311 HydrophobicContact CD1-CD1 4.22Å; L271-L311 HydrophobicContact CD1-CB 3.82Å; L271-L311 HydrophobicContact CD1-CD1 3.78Å; L271-L311 HydrophobicContact CD1-CD2 4.38Å; L271-L311 HydrophobicContact CD1-CG 4.19Å; L277-L311 HydrophobicContact CD1-CD2 3.87Å; K280-L311 HydrophobicContact CB-CD2 3.92Å; K280-L311 PolarHBondContact NZ-O 2.95Å; M281-L311 HydrophobicContact CG-CD2 4.27Å; M281-L311 HydrophobicContact SD-CD1 4.3Å; M281-L311 HydrophobicContact SD-CD2 3.76Å; L284-L311 HydrophobicContact CD1-CD1 4.02Å; L284-L311 HydrophobicContact CD1-CD2 3.9Å; L284-L311 HydrophobicContact CD1-CG 3.78Å; A307-L311 WeakPolarHBondContact O-CB 3.4Å; A307-L311 WeakPolarHBondContact O-CD1 3.16Å; A307-L311 WeakPolarHBondContact O-CG 3.39Å; A307-L311 PolarHBondContact O-N 3.45Å; L308-L311 HydrophobicContact CD2-CD1 4.49Å; L308-L311 PolarHBondContact O-N 2.76Å; R309-L311 VanDerWaalsContact C-N 3.31Å; R309-L311 PolarHBondContact O-N 3.43Å; L311-L313 VanDerWaalsContact C-N 3.32Å
312S89.2Confident88.8Confident2 Ų250.9 Ų50.91%0.01423%0.23CC..Hα-helixtrans-78.6-13.6178.6-58.90000113.9L308 R309 L310 P314L308-S312 VanDerWaalsContact O-CB 3.22Å; L308-S312 WeakPolarHBondContact O-CB 3.41Å; L308-S312 PolarHBondContact O-N 3.41Å; L308-S312 PolarHBondContact O-OG 3.39Å; R309-S312 CarbonylContact O-C 3.57Å; R309-S312 PolarHBondContact O-N 3.08Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 PolarHBondContact O-N 2.96Å; S312-P314 WeakPolarHBondContact O-CD 3.36Å
313L88.6Confident88.6Confident1 Ų145.5 Ų45.51%0.00522%0.215CC..  trans-67.3125.6-174.6-163.866.3000110.7K280 R309 L310 L311 L317 Y318 V330 T334K280-L313 VanDerWaalsContact CE-O 3.28Å; K280-L313 WeakPolarHBondContact CE-O 3.49Å; K280-L313 PolarHBondContact NZ-O 3.16Å; R309-L313 PolarHBondContact O-N 2.86Å; L310-L313 WeakPolarHBondContact O-CB 3.21Å; L310-L313 PolarHBondContact O-N 2.88Å; L311-L313 VanDerWaalsContact C-N 3.32Å; L313-L317 HydrophobicContact CD1-CB 3.9Å; L313-L317 WeakPolarHBondContact CD2-O 3.49Å; L313-L317 HydrophobicContact CG-CB 4.18Å; L313-Y318 HydrophobicContact CD2-CD2 4.17Å; L313-V330 HydrophobicContact CD1-CG1 4.16Å; L313-T334 HydrophobicContact CD1-CG2 4.29Å
314P86.2Confident88.1Confident42 Ų4242.8 Ų42.827%0.27321%0.205SC..  trans-62.3148.8173.9-21.932.8000111.6S312 T316 L317 Y318S312-P314 WeakPolarHBondContact O-CD 3.36Å; P314-T316 PolarHBondContact O-N 2.9Å; P314-T316 VanDerWaalsContact O-N 3.15Å; P314-L317 HydrophobicContact CG-CD1 4.26Å; P314-L317 PolarHBondContact O-N 2.91Å; P314-Y318 PolarHBondContact O-N 3.34Å
315Q82.8Confident87.4Confident121 Ų12144.3 Ų44.357%0.56521%0.213SC*.G310 helixtrans-56.2-34.8178.2-167.765.321.400112.4L317 Y318Q315-L317 PolarHBondContact O-N 3.15Å; Q315-Y318 WeakPolarHBondContact O-CB 3.35Å; Q315-Y318 PolarHBondContact O-N 3.34Å
316T84.8Confident87Confident114 Ų11449.2 Ų49.270%0.69924%0.239SC*.G310 helixtrans-62.7-29176.850.30000113.1P314 H319P314-T316 PolarHBondContact O-N 2.9Å; P314-T316 VanDerWaalsContact O-N 3.15Å; T316-H319 PolarHBondContact O-CE1 2.87Å; T316-H319 PolarHBondContact O-ND1 3.34Å; T316-H319 VanDerWaalsContact O-ND1 3.14Å
317L85.4Confident86.2Confident45 Ų4550.6 Ų50.624%0.23625%0.253CS..G310 helixtrans-100.97-178.6-60.4-177.1000112.7L313 P314 Q315 H319 L320 D331L313-L317 HydrophobicContact CD1-CB 3.9Å; L313-L317 WeakPolarHBondContact CD2-O 3.49Å; L313-L317 HydrophobicContact CG-CB 4.18Å; P314-L317 HydrophobicContact CG-CD1 4.26Å; P314-L317 PolarHBondContact O-N 2.91Å; Q315-L317 PolarHBondContact O-N 3.15Å; L317-H319 PolarHBondContact O-N 3.23Å; L317-H319 VanDerWaalsContact O-N 3.09Å; L317-L320 HydrophobicContact CD2-CD1 4.28Å; L317-L320 WeakPolarHBondContact O-CB 3.3Å; L317-L320 PolarHBondContact O-N 2.97Å; L317-D331 HydrophobicContact CD1-CB 4.15Å
318Y83.6Confident85.8Confident49 Ų4955.6 Ų55.619%0.19228%0.277CS..G310 helixtrans-61.7-25.1-175.4-153.5-109.6000113K280 F283 L313 P314 Q315 L320 W321K280-Y318 HydrophobicContact CG-CE2 4.36Å; F283-Y318 WeakPolarHBondContact CB-OH 3.44Å; F283-Y318 WeakPolarHBondContact CD1-OH 3.11Å; F283-Y318 WeakPolarHBondContact CG-OH 3.5Å; L313-Y318 HydrophobicContact CD2-CD2 4.17Å; P314-Y318 PolarHBondContact O-N 3.34Å; Q315-Y318 WeakPolarHBondContact O-CB 3.35Å; Q315-Y318 PolarHBondContact O-N 3.34Å; Y318-L320 PolarHBondContact O-N 3.14Å; Y318-L320 VanDerWaalsContact O-N 3.11Å; Y318-W321 WeakPolarHBondContact O-CB 3.38Å; Y318-W321 PolarHBondContact O-N 2.74Å; Y318-W321 VanDerWaalsContact O-N 3.12Å
319H85.7Confident85.2Confident137 Ų13760.3 Ų60.363%0.63431%0.305SS*.G310 helixtrans-59.5-19172.366.9-81.9000113.7T316 L317T316-H319 PolarHBondContact O-CE1 2.87Å; T316-H319 PolarHBondContact O-ND1 3.34Å; T316-H319 VanDerWaalsContact O-ND1 3.14Å; L317-H319 PolarHBondContact O-N 3.23Å; L317-H319 VanDerWaalsContact O-N 3.09Å
320L85.1Confident84.9Confident55 Ų5560.6 Ų60.629%0.28831%0.311SS..G310 helixtrans-95.817.9178.3-56174.9000113.3L317 Y318 R322 P323 A324 V330L317-L320 HydrophobicContact CD2-CD1 4.28Å; L317-L320 WeakPolarHBondContact O-CB 3.3Å; L317-L320 PolarHBondContact O-N 2.97Å; Y318-L320 PolarHBondContact O-N 3.14Å; Y318-L320 VanDerWaalsContact O-N 3.11Å; L320-R322 PolarHBondContact O-N 2.94Å; L320-P323 HydrophobicContact CB-CG 4.45Å; L320-P323 VanDerWaalsContact O-CD 3.22Å; L320-P323 WeakPolarHBondContact O-CD 3.35Å; L320-A324 PolarHBondContact O-N 3.24Å; L320-V330 HydrophobicContact CB-CG1 3.74Å; L320-V330 HydrophobicContact CB-CG2 4.37Å; L320-V330 HydrophobicContact CD1-CG1 3.51Å; L320-V330 HydrophobicContact CG-CG1 4.25Å
321W85.2Confident84.6Confident68 Ų6862.9 Ų62.926%0.25832%0.323SS..Hα-helixtrans-58.3-33.4179.170-94.5000113.4F283 L310 Y318 A324 L325F283-W321 HydrophobicContact CZ-CD2 4.1Å; F283-W321 AromaticContact CZ-CE3 3.84Å; F283-W321 HydrophobicContact CZ-CE3 3.84Å; F283-W321 HydrophobicContact CZ-CZ3 4.15Å; L310-W321 HydrophobicContact CD2-CB 3.92Å; Y318-W321 WeakPolarHBondContact O-CB 3.38Å; Y318-W321 PolarHBondContact O-N 2.74Å; Y318-W321 VanDerWaalsContact O-N 3.12Å; W321-A324 PolarHBondContact O-N 2.93Å; W321-L325 HydrophobicContact CZ3-CD2 4.47Å; W321-L325 WeakPolarHBondContact O-CB 3.49Å; W321-L325 PolarHBondContact O-N 3.12Å
322R86.6Confident84.4Confident166 Ų16670.3 Ų70.363%0.62636%0.357SS*.Hα-helixtrans-65.6-52.6177.9-72.3179.8-176.6161.4-1112.2L320 A324 L325 L326L320-R322 PolarHBondContact O-N 2.94Å; R322-A324 VanDerWaalsContact C-N 3.31Å; R322-A324 PolarHBondContact O-N 2.85Å; R322-L325 WeakPolarHBondContact O-CB 3.44Å; R322-L325 PolarHBondContact O-N 2.91Å; R322-L326 WeakPolarHBondContact O-CG 3.49Å; R322-L326 PolarHBondContact O-N 2.95Å
323P85.6Confident84.3Confident37 Ų3778.2 Ų78.224%0.2439%0.392CS..Hα-helixtrans-49-48.8168.3-32.334.1000113.8L320 L325 L326 G327 Q328 V330L320-P323 HydrophobicContact CB-CG 4.45Å; L320-P323 VanDerWaalsContact O-CD 3.22Å; L320-P323 WeakPolarHBondContact O-CD 3.35Å; P323-L325 VanDerWaalsContact C-N 3.3Å; P323-L325 PolarHBondContact O-N 3.24Å; P323-L326 PolarHBondContact O-N 3.04Å; P323-L326 VanDerWaalsContact O-N 3.13Å; P323-G327 PolarHBondContact O-N 3.49Å; P323-Q328 HydrophobicContact CB-CB 4.2Å; P323-Q328 VanDerWaalsContact O-CB 3.31Å; P323-Q328 WeakPolarHBondContact O-CB 3.32Å; P323-Q328 PolarHBondContact O-N 3.03Å; P323-V330 HydrophobicContact CB-CG2 3.94Å
324A81.8Confident84.1Confident2 Ų278.5 Ų78.52%0.01739%0.393CS..Hα-helixtrans-60.7-39.717900000112.2L310 L320 W321 R322 L326 G327 V330L310-A324 HydrophobicContact CD2-CB 4Å; L320-A324 PolarHBondContact O-N 3.24Å; W321-A324 PolarHBondContact O-N 2.93Å; R322-A324 VanDerWaalsContact C-N 3.31Å; R322-A324 PolarHBondContact O-N 2.85Å; A324-L326 VanDerWaalsContact C-N 3.33Å; A324-L326 PolarHBondContact O-N 2.63Å; A324-G327 PolarHBondContact O-N 2.84Å; A324-G327 VanDerWaalsContact O-N 3.11Å; A324-V330 HydrophobicContact CB-CG2 3.87Å
325L81.4Confident84.2Confident33 Ų3377.9 Ų77.917%0.17339%0.387CS..Hα-helixtrans-61.6-40.4175.6-16684.5000112.3F289 W302 V306 L310 W321 R322 P323 G327F289-L325 HydrophobicContact CD1-CD1 4.19Å; F289-L325 HydrophobicContact CD2-CD1 4.15Å; F289-L325 HydrophobicContact CE1-CD1 3.59Å; F289-L325 HydrophobicContact CE1-CG 4.39Å; F289-L325 HydrophobicContact CE2-CD1 3.52Å; F289-L325 HydrophobicContact CE2-CD2 4.44Å; F289-L325 HydrophobicContact CG-CD1 4.48Å; F289-L325 HydrophobicContact CZ-CD1 3.24Å; F289-L325 HydrophobicContact CZ-CD2 3.85Å; F289-L325 HydrophobicContact CZ-CG 4Å; W302-L325 WeakPolarHBondContact CH2-O 3.17Å; W302-L325 WeakPolarHBondContact CZ2-O 3.45Å; V306-L325 HydrophobicContact CG1-CD1 3.69Å; V306-L325 HydrophobicContact CG1-CG 4.37Å; L310-L325 HydrophobicContact CD1-CD1 4.03Å; W321-L325 HydrophobicContact CZ3-CD2 4.47Å; W321-L325 WeakPolarHBondContact O-CB 3.49Å; W321-L325 PolarHBondContact O-N 3.12Å; R322-L325 WeakPolarHBondContact O-CB 3.44Å; R322-L325 PolarHBondContact O-N 2.91Å; P323-L325 VanDerWaalsContact C-N 3.3Å; P323-L325 PolarHBondContact O-N 3.24Å; L325-G327 PolarHBondContact O-N 3.12Å; L325-G327 VanDerWaalsContact O-N 3.17Å
326L83.6Confident84.5Confident122 Ų12276.4 Ų76.464%0.63939%0.386SS*.THydrogen-bonded Turntrans-75.13.8178.1-64.1174000112.7R322 P323 A324 Q328R322-L326 WeakPolarHBondContact O-CG 3.49Å; R322-L326 PolarHBondContact O-N 2.95Å; P323-L326 PolarHBondContact O-N 3.04Å; P323-L326 VanDerWaalsContact O-N 3.13Å; A324-L326 VanDerWaalsContact C-N 3.33Å; A324-L326 PolarHBondContact O-N 2.63Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 HydrophobicContact CB-CG 4.36Å
327G75.9Confident84.8Confident29 Ų2976.4 Ų76.430%0.29937%0.373SS..THydrogen-bonded Turntrans7616.5-17900000113.7P323 A324 L325P323-G327 PolarHBondContact O-N 3.49Å; A324-G327 PolarHBondContact O-N 2.84Å; A324-G327 VanDerWaalsContact O-N 3.11Å; L325-G327 PolarHBondContact O-N 3.12Å; L325-G327 VanDerWaalsContact O-N 3.17Å
328Q83.6Confident85.1Confident106 Ų10674.2 Ų74.250%0.49536%0.362SS..  trans-74.9140.6174.1-58.3-179.91.300109.9P323 L326 V330P323-Q328 HydrophobicContact CB-CB 4.2Å; P323-Q328 VanDerWaalsContact O-CB 3.31Å; P323-Q328 WeakPolarHBondContact O-CB 3.32Å; P323-Q328 PolarHBondContact O-N 3.03Å; L326-Q328 VanDerWaalsContact C-N 3.3Å; L326-Q328 HydrophobicContact CB-CG 4.36Å; Q328-V330 PolarHBondContact O-N 3.1Å; Q328-V330 VanDerWaalsContact O-N 3.14Å
329V82Confident85.5Confident98 Ų9872.7 Ų72.759%0.59436%0.358SS*.  trans-71.6108172.7-178.30000107.9
330V83.1Confident85.8Confident41 Ų4170.8 Ų70.825%0.24835%0.35CS..  trans-82.9-41.1178.9177.30000111.3L313 L320 P323 A324 Q328L313-V330 HydrophobicContact CD1-CG1 4.16Å; L320-V330 HydrophobicContact CB-CG1 3.74Å; L320-V330 HydrophobicContact CB-CG2 4.37Å; L320-V330 HydrophobicContact CD1-CG1 3.51Å; L320-V330 HydrophobicContact CG-CG1 4.25Å; P323-V330 HydrophobicContact CB-CG2 3.94Å; A324-V330 HydrophobicContact CB-CG2 3.87Å; Q328-V330 PolarHBondContact O-N 3.1Å; Q328-V330 VanDerWaalsContact O-N 3.14Å
331D84.6Confident86.3Confident51 Ų5168.9 Ų68.927%0.27334%0.34SS..  trans-156.7134.7-178.3160.760.5000109L317 K333 T334 E335L317-D331 HydrophobicContact CD1-CB 4.15Å; D331-K333 VanDerWaalsContact C-N 3.3Å; D331-K333 PolarHBondContact O-N 3Å; D331-K333 WeakPolarHBondContact OD2-CB 3.17Å; D331-K333 PolarHBondContact OD2-N 2.86Å; D331-T334 WeakPolarHBondContact O-CB 3.49Å; D331-T334 PolarHBondContact O-N 2.97Å; D331-T334 PolarHBondContact OD2-N 3.12Å; D331-T334 PolarHBondContact OD2-OG1 3.46Å; D331-E335 PolarHBondContact O-N 2.8Å; D331-E335 VanDerWaalsContact O-N 3.07Å
332E86.9Confident86.8Confident158 Ų15865.7 Ų65.774%0.73833%0.328SS*.Hα-helixtrans-62-37.2-177.4-70-175.4169.600112T334 E335 V336E332-T334 VanDerWaalsContact C-N 3.31Å; E332-T334 PolarHBondContact O-N 2.92Å; E332-E335 PolarHBondContact O-N 3.37Å; E332-V336 WeakPolarHBondContact O-CG2 3.48Å; E332-V336 PolarHBondContact O-N 3.25Å
333K87Confident87.2Confident168 Ų16860.7 Ų60.773%0.7331%0.309SS*.Hα-helixtrans-65.9-38.1178.7-61.9176.7179.2174.40111.2D331 R337D331-K333 VanDerWaalsContact C-N 3.3Å; D331-K333 PolarHBondContact O-N 3Å; D331-K333 WeakPolarHBondContact OD2-CB 3.17Å; D331-K333 PolarHBondContact OD2-N 2.86Å; K333-R337 VanDerWaalsContact O-CB 3.3Å; K333-R337 WeakPolarHBondContact O-CB 3.46Å; K333-R337 PolarHBondContact O-N 3.48Å
334T85.6Confident87.7Confident7 Ų761.6 Ų61.64%0.04331%0.314CS..Hα-helixtrans-65.1-40.7175.5-57.70000111.2L313 D331 E332 R337 S338L313-T334 HydrophobicContact CD1-CG2 4.29Å; D331-T334 WeakPolarHBondContact O-CB 3.49Å; D331-T334 PolarHBondContact O-N 2.97Å; D331-T334 PolarHBondContact OD2-N 3.12Å; D331-T334 PolarHBondContact OD2-OG1 3.46Å; E332-T334 VanDerWaalsContact C-N 3.31Å; E332-T334 PolarHBondContact O-N 2.92Å; T334-R337 PolarHBondContact O-N 2.86Å; T334-S338 WeakPolarHBondContact O-CB 3.49Å; T334-S338 PolarHBondContact O-N 2.83Å; T334-S338 PolarHBondContact O-OG 3.04Å
335E88.1Confident88.4Confident29 Ų2961.5 Ų61.514%0.13631%0.313CS..Hα-helixtrans-64.3-48.2176.9-166.163.1-158.800111.3R309 D331 E332 R337 S338 S339R309-E335 IonicContact CZ-OE1 3.41Å; R309-E335 IonicContact CZ-OE2 3.69Å; R309-E335 IonicContact NE-OE1 3.24Å; R309-E335 PolarHBondContact NE-OE1 3.44Å; R309-E335 IonicContact NE-OE2 2.79Å; R309-E335 PolarHBondContact NE-OE2 3.24Å; R309-E335 IonicContact NH2-OE1 2.72Å; R309-E335 PolarHBondContact NH2-OE1 3.46Å; R309-E335 IonicContact NH2-OE2 3.73Å; D331-E335 PolarHBondContact O-N 2.8Å; D331-E335 VanDerWaalsContact O-N 3.07Å; E332-E335 PolarHBondContact O-N 3.37Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-R337 PolarHBondContact O-N 2.89Å; E335-S338 PolarHBondContact O-N 2.84Å; E335-S338 PolarHBondContact O-OG 3.47Å; E335-S339 PolarHBondContact O-N 3.16Å; E335-S339 PolarHBondContact O-OG 3.17Å
336V89.6Confident89.2Confident90 Ų9060 Ų6055%0.54531%0.305SS..Hα-helixtrans-59.2-44.8175.9172.30000111.1E332 S339 Q340E332-V336 WeakPolarHBondContact O-CG2 3.48Å; E332-V336 PolarHBondContact O-N 3.25Å; V336-S339 PolarHBondContact O-N 3.27Å; V336-Q340 WeakPolarHBondContact O-CB 3.11Å; V336-Q340 PolarHBondContact O-N 3.39Å
337R89.8Confident89.8Confident113 Ų11358 Ų5843%0.42629%0.293SS..Hα-helixtrans-61.5-47176.9-178.7-176.8-108.3144.5-6.6111.2E274 K333 T334 E335 S339 Q340 T341E274-R337 IonicContact OE1-CZ 3.89Å; E274-R337 IonicContact OE1-NE 3.66Å; E274-R337 IonicContact OE1-NH2 3.7Å; K333-R337 VanDerWaalsContact O-CB 3.3Å; K333-R337 WeakPolarHBondContact O-CB 3.46Å; K333-R337 PolarHBondContact O-N 3.48Å; T334-R337 PolarHBondContact O-N 2.86Å; E335-R337 VanDerWaalsContact C-N 3.34Å; E335-R337 PolarHBondContact O-N 2.89Å; R337-S339 VanDerWaalsContact C-N 3.35Å; R337-S339 PolarHBondContact O-N 3.48Å; R337-Q340 PolarHBondContact O-N 3.46Å; R337-T341 PolarHBondContact O-N 2.97Å; R337-T341 PolarHBondContact O-OG1 3.34Å; R337-T341 VanDerWaalsContact O-OG1 3.05Å
338S92.1Very high90.9Very high0 Ų059.8 Ų59.80%029%0.293CS..Hα-helixtrans-62.9-40.9-17972.80000112.3T334 E335 T341 A342T334-S338 WeakPolarHBondContact O-CB 3.49Å; T334-S338 PolarHBondContact O-N 2.83Å; T334-S338 PolarHBondContact O-OG 3.04Å; E335-S338 PolarHBondContact O-N 2.84Å; E335-S338 PolarHBondContact O-OG 3.47Å; S338-T341 PolarHBondContact O-N 2.98Å; S338-A342 PolarHBondContact O-N 3.47Å
339S91.9Very high91.5Very high17 Ų1755.8 Ų55.812%0.11928%0.276CS..Hα-helixtrans-66.5-40.4175-67.40000112.2E335 V336 R337 A342 R343E335-S339 PolarHBondContact O-N 3.16Å; E335-S339 PolarHBondContact O-OG 3.17Å; V336-S339 PolarHBondContact O-N 3.27Å; R337-S339 VanDerWaalsContact C-N 3.35Å; R337-S339 PolarHBondContact O-N 3.48Å; S339-A342 PolarHBondContact O-N 2.99Å; S339-R343 PolarHBondContact O-N 3.21Å
340Q92.8Very high92.3Very high97 Ų9752.5 Ų52.545%0.45325%0.254SS..Hα-helixtrans-64.7-41.6174.6-175.759.336.400111.5V336 R337 R343 T344V336-Q340 WeakPolarHBondContact O-CB 3.11Å; V336-Q340 PolarHBondContact O-N 3.39Å; R337-Q340 PolarHBondContact O-N 3.46Å; Q340-R343 WeakPolarHBondContact O-CB 3.37Å; Q340-R343 PolarHBondContact O-N 3.39Å; Q340-T344 PolarHBondContact O-N 2.9Å; Q340-T344 PolarHBondContact O-OG1 2.74Å; Q340-T344 VanDerWaalsContact O-OG1 3.11Å
341T94.6Very high93Very high14 Ų1456.3 Ų56.39%0.08627%0.267CS..Hα-helixtrans-62.7-43.2174.4-58.70000111.4I270 L271 L308 R337 S338 R343 T344 L345I270-T341 HydrophobicContact CG2-CG2 4.08Å; L271-T341 HydrophobicContact CD2-CG2 3.77Å; L271-T341 HydrophobicContact CG-CG2 4.29Å; L308-T341 HydrophobicContact CD2-CG2 3.71Å; R337-T341 PolarHBondContact O-N 2.97Å; R337-T341 PolarHBondContact O-OG1 3.34Å; R337-T341 VanDerWaalsContact O-OG1 3.05Å; S338-T341 PolarHBondContact O-N 2.98Å; T341-R343 VanDerWaalsContact C-N 3.26Å; T341-R343 PolarHBondContact O-N 3.38Å; T341-T344 PolarHBondContact O-N 3.2Å; T341-L345 WeakPolarHBondContact O-CB 3.31Å; T341-L345 PolarHBondContact O-N 3.36Å
342A96Very high93.6Very high1 Ų156.8 Ų56.81%0.00827%0.27CS..Hα-helixtrans-58.1-40.7175.600000111.7P300 M305 L308 S338 S339 L345 C346 L396P300-A342 HydrophobicContact CG-CB 3.99Å; M305-A342 HydrophobicContact SD-CB 3.99Å; L308-A342 HydrophobicContact CD1-CB 3.54Å; S338-A342 PolarHBondContact O-N 3.47Å; S339-A342 PolarHBondContact O-N 2.99Å; A342-L345 WeakPolarHBondContact O-CB 3.43Å; A342-L345 PolarHBondContact O-N 3.46Å; A342-C346 PolarHBondContact O-N 2.94Å; A342-C346 PolarHBondContact O-SG 3.5Å; A342-L396 HydrophobicContact CB-CD1 4.39Å
343R95.4Very high94.1Very high62 Ų6249.4 Ų49.423%0.23424%0.236CC..Hα-helixtrans-66.4-47.7176.1-178175.6173.9173.4-2.9112.3S339 Q340 T341 L345 C346 Q347 L396S339-R343 PolarHBondContact O-N 3.21Å; Q340-R343 WeakPolarHBondContact O-CB 3.37Å; Q340-R343 PolarHBondContact O-N 3.39Å; T341-R343 VanDerWaalsContact C-N 3.26Å; T341-R343 PolarHBondContact O-N 3.38Å; R343-L345 PolarHBondContact O-N 2.95Å; R343-C346 PolarHBondContact O-N 2.89Å; R343-Q347 WeakPolarHBondContact O-CB 3.44Å; R343-Q347 VanDerWaalsContact O-CG 3.29Å; R343-Q347 WeakPolarHBondContact O-CG 3.16Å; R343-Q347 PolarHBondContact O-N 3.24Å; R343-L396 HydrophobicContact CB-CD1 4.31Å
344T95.9Very high94.7Very high55 Ų5544.6 Ų44.634%0.33722%0.216SC..Hα-helixtrans-56.6-40.1175.3-60.20000110.8I270 Q340 T341 Q347 Q348I270-T344 HydrophobicContact CG2-CG2 3.97Å; Q340-T344 PolarHBondContact O-N 2.9Å; Q340-T344 PolarHBondContact O-OG1 2.74Å; Q340-T344 VanDerWaalsContact O-OG1 3.11Å; T341-T344 PolarHBondContact O-N 3.2Å; T344-Q347 PolarHBondContact O-N 3.26Å; T344-Q348 PolarHBondContact O-N 3.22Å
345L97.2Very high95.3Very high0 Ų048.9 Ų48.90%024%0.237CC..Hα-helixtrans-63.4-49.1177.2-170.3145.6000113V262 L266 L267 I270 T341 A342 R343 Q347 Q348 L349V262-L345 HydrophobicContact CB-CD2 4.41Å; V262-L345 HydrophobicContact CG1-CD1 3.51Å; V262-L345 HydrophobicContact CG1-CD2 3.89Å; V262-L345 HydrophobicContact CG1-CG 4.2Å; V262-L345 HydrophobicContact CG2-CD2 3.61Å; L266-L345 HydrophobicContact CD2-CG 4.2Å; L267-L345 HydrophobicContact CD2-CD1 3.36Å; I270-L345 VanDerWaalsContact CD1-CA 3.47Å; I270-L345 HydrophobicContact CD1-CB 3.65Å; I270-L345 HydrophobicContact CD1-CD1 3.93Å; I270-L345 HydrophobicContact CD1-CG 3.72Å; T341-L345 WeakPolarHBondContact O-CB 3.31Å; T341-L345 PolarHBondContact O-N 3.36Å; A342-L345 WeakPolarHBondContact O-CB 3.43Å; A342-L345 PolarHBondContact O-N 3.46Å; R343-L345 PolarHBondContact O-N 2.95Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 2.68Å; L345-Q348 PolarHBondContact O-N 2.96Å; L345-L349 HydrophobicContact CD2-CD1 3.58Å; L345-L349 HydrophobicContact CD2-CG 4.33Å; L345-L349 PolarHBondContact O-N 3.33Å
346C97.5Very high95.8Very high1 Ų147.8 Ų47.81%0.00723%0.234CC..Hα-helixtrans-62.9-36.3177.2-630000111.5A342 R343 L350 L389 V393A342-C346 PolarHBondContact O-N 2.94Å; A342-C346 PolarHBondContact O-SG 3.5Å; R343-C346 PolarHBondContact O-N 2.89Å; C346-L350 WeakPolarHBondContact O-CB 3.37Å; C346-L350 PolarHBondContact O-N 2.66Å; C346-L389 HydrophobicContact CB-CD2 4.34Å; C346-V393 HydrophobicContact CB-CG2 3.56Å
347Q97.1Very high96.2Very high82 Ų8244.1 Ų44.138%0.38321%0.211SC..Hα-helixtrans-66.5-40.7175.8-72.7174.3-33.100112.4R343 T344 L345 L350 K351 V393R343-Q347 WeakPolarHBondContact O-CB 3.44Å; R343-Q347 VanDerWaalsContact O-CG 3.29Å; R343-Q347 WeakPolarHBondContact O-CG 3.16Å; R343-Q347 PolarHBondContact O-N 3.24Å; T344-Q347 PolarHBondContact O-N 3.26Å; L345-Q347 VanDerWaalsContact C-N 3.26Å; L345-Q347 PolarHBondContact O-N 2.68Å; Q347-L350 PolarHBondContact O-N 2.94Å; Q347-K351 WeakPolarHBondContact O-CB 3.43Å; Q347-K351 PolarHBondContact O-N 2.83Å; Q347-V393 HydrophobicContact CG-CG2 4.29Å
348Q97.4Very high96.6Very high65 Ų6543.5 Ų43.530%0.30422%0.216SC..Hα-helixtrans-66.3-47.3176.8-175.654.748.900111.3L266 T344 L345 L350 K351 D352L266-Q348 HydrophobicContact CD1-CG 3.93Å; T344-Q348 PolarHBondContact O-N 3.22Å; L345-Q348 PolarHBondContact O-N 2.96Å; Q348-L350 VanDerWaalsContact C-N 3.27Å; Q348-L350 PolarHBondContact O-N 3.26Å; Q348-K351 WeakPolarHBondContact O-CB 3.34Å; Q348-K351 PolarHBondContact O-N 3.39Å; Q348-K351 VanDerWaalsContact O-N 3.15Å; Q348-D352 PolarHBondContact NE2-OD1 3.25Å; Q348-D352 PolarHBondContact NE2-OD2 3.06Å; Q348-D352 VanDerWaalsContact O-CG 3.3Å; Q348-D352 PolarHBondContact O-N 3.32Å
349L97.8Very high96.8Very high23 Ų2347.3 Ų47.312%0.1223%0.232CC..Hα-helixtrans-58.7-39.6174.2-72.6173.9000112.2V260 V262 L266 L345 D352 T353 L389V260-L349 HydrophobicContact CG1-CD1 4.04Å; V262-L349 HydrophobicContact CG2-CD1 4.21Å; L266-L349 HydrophobicContact CD2-CD1 4.32Å; L266-L349 HydrophobicContact CD2-CD2 3.47Å; L266-L349 VanDerWaalsContact CD2-CD2 3.47Å; L266-L349 HydrophobicContact CD2-CG 3.69Å; L345-L349 HydrophobicContact CD2-CD1 3.58Å; L345-L349 HydrophobicContact CD2-CG 4.33Å; L345-L349 PolarHBondContact O-N 3.33Å; L349-D352 PolarHBondContact O-N 3.31Å; L349-T353 WeakPolarHBondContact O-CB 3.26Å; L349-T353 PolarHBondContact O-N 3.43Å; L349-T353 PolarHBondContact O-OG1 3.26Å; L349-L389 HydrophobicContact CB-CD1 3.71Å; L349-L389 HydrophobicContact CB-CD2 3.89Å; L349-L389 HydrophobicContact CB-CG 4.48Å; L349-L389 HydrophobicContact CD1-CD2 4.04Å
350L97.8Very high97.1Very high28 Ų2846.5 Ų46.515%0.14723%0.227CC..Hα-helixtrans-66.4-39.7178-179.159.3000111.3C346 Q347 Q348 T353 H354 R386 L389 E390C346-L350 WeakPolarHBondContact O-CB 3.37Å; C346-L350 PolarHBondContact O-N 2.66Å; Q347-L350 PolarHBondContact O-N 2.94Å; Q348-L350 VanDerWaalsContact C-N 3.27Å; Q348-L350 PolarHBondContact O-N 3.26Å; L350-T353 PolarHBondContact O-N 3.06Å; L350-H354 PolarHBondContact O-N 3.35Å; L350-H354 PolarHBondContact O-ND1 3.21Å; L350-R386 HydrophobicContact CD1-CG 3.8Å; L350-L389 HydrophobicContact CB-CB 4.16Å; L350-L389 HydrophobicContact CB-CD1 4.42Å; L350-L389 HydrophobicContact CD1-CB 4.13Å; L350-E390 HydrophobicContact CD1-CG 3.93Å; L350-E390 HydrophobicContact CD2-CG 4.12Å
351K97.8Very high97.2Very high121 Ų12145.1 Ų45.153%0.52623%0.228SC..Hα-helixtrans-61.3-47.6173.5-177.4-175.3175.4-173.60111Q347 Q348 T353 H354 I355Q347-K351 WeakPolarHBondContact O-CB 3.43Å; Q347-K351 PolarHBondContact O-N 2.83Å; Q348-K351 WeakPolarHBondContact O-CB 3.34Å; Q348-K351 PolarHBondContact O-N 3.39Å; Q348-K351 VanDerWaalsContact O-N 3.15Å; K351-T353 VanDerWaalsContact C-N 3.27Å; K351-T353 PolarHBondContact O-N 2.87Å; K351-H354 PolarHBondContact O-N 3.44Å; K351-I355 HydrophobicContact CG-CD1 4.15Å; K351-I355 WeakPolarHBondContact O-CG1 3.43Å; K351-I355 PolarHBondContact O-N 3.48Å
352D97.3Very high97.3Very high62 Ų6250.6 Ų50.633%0.33225%0.253SS..Hα-helixtrans-62.6-37.5178.8-63.7-19.5000111.5Q348 L349 I355 A356Q348-D352 PolarHBondContact NE2-OD1 3.25Å; Q348-D352 PolarHBondContact NE2-OD2 3.06Å; Q348-D352 VanDerWaalsContact O-CG 3.3Å; Q348-D352 PolarHBondContact O-N 3.32Å; L349-D352 PolarHBondContact O-N 3.31Å; D352-I355 PolarHBondContact O-N 3.17Å; D352-A356 WeakPolarHBondContact O-CB 3.43Å; D352-A356 PolarHBondContact O-N 2.91Å
353T98.1Very high97.2Very high2 Ų252.1 Ų52.11%0.01226%0.26CS..Hα-helixtrans-63.4-43175.5-57.50000111.8L349 L350 K351 A356 L357 R382 E385 R386L349-T353 WeakPolarHBondContact O-CB 3.26Å; L349-T353 PolarHBondContact O-N 3.43Å; L349-T353 PolarHBondContact O-OG1 3.26Å; L350-T353 PolarHBondContact O-N 3.06Å; K351-T353 VanDerWaalsContact C-N 3.27Å; K351-T353 PolarHBondContact O-N 2.87Å; T353-A356 PolarHBondContact O-N 3.42Å; T353-L357 HydrophobicContact CG2-CD1 4.17Å; T353-L357 WeakPolarHBondContact O-CG 3.47Å; T353-L357 PolarHBondContact O-N 2.98Å; T353-R382 HydrophobicContact CG2-CB 4.28Å; T353-R382 WeakPolarHBondContact CG2-O 3.3Å; T353-E385 HydrophobicContact CG2-CB 4.26Å; T353-R386 HydrophobicContact CG2-CB 3.8Å
354H98.4Very high97.2Very high67 Ų6749.8 Ų49.831%0.3125%0.253SS..Hα-helixtrans-62.4-47.1175.1-74121.3000112.1L350 K351 A356 L357 D358 R386L350-H354 PolarHBondContact O-N 3.35Å; L350-H354 PolarHBondContact O-ND1 3.21Å; K351-H354 PolarHBondContact O-N 3.44Å; H354-A356 VanDerWaalsContact C-N 3.27Å; H354-A356 PolarHBondContact O-N 3.06Å; H354-L357 PolarHBondContact O-N 3.43Å; H354-L357 VanDerWaalsContact O-N 3.13Å; H354-D358 PolarHBondContact O-N 2.94Å; H354-R386 WeakPolarHBondContact NE2-CD 3.3Å
355I98.3Very high96.9Very high97 Ų9750.4 Ų50.450%0.49727%0.27SS..Hα-helixtrans-57.2-43.5177.1-66.6166.5000110.6K351 D352 D358 K359K351-I355 HydrophobicContact CG-CD1 4.15Å; K351-I355 WeakPolarHBondContact O-CG1 3.43Å; K351-I355 PolarHBondContact O-N 3.48Å; D352-I355 PolarHBondContact O-N 3.17Å; I355-D358 PolarHBondContact O-N 3.15Å; I355-K359 PolarHBondContact O-N 3.23Å
356A98.1Very high96.5Very high7 Ų758.4 Ų58.46%0.05831%0.307CS..Hα-helixtrans-64-43.8177.100000112.2D352 T353 H354 D358 K359 I360 R382D352-A356 WeakPolarHBondContact O-CB 3.43Å; D352-A356 PolarHBondContact O-N 2.91Å; T353-A356 PolarHBondContact O-N 3.42Å; H354-A356 VanDerWaalsContact C-N 3.27Å; H354-A356 PolarHBondContact O-N 3.06Å; A356-D358 VanDerWaalsContact C-N 3.34Å; A356-D358 PolarHBondContact O-N 2.99Å; A356-K359 PolarHBondContact O-N 2.52Å; A356-I360 WeakPolarHBondContact O-CB 3.42Å; A356-I360 WeakPolarHBondContact O-CD1 3.47Å; A356-I360 WeakPolarHBondContact O-CG1 3.21Å; A356-I360 PolarHBondContact O-N 2.92Å; A356-R382 HydrophobicContact CB-CG 4.28Å
357L98.4Very high96Very high12 Ų1259.4 Ų59.46%0.06331%0.314CS..Hα-helixtrans-63.2-38.1177.6-74.8170.1000112.8T353 H354 I360 S361 R379 R382 Q383 R386T353-L357 HydrophobicContact CG2-CD1 4.17Å; T353-L357 WeakPolarHBondContact O-CG 3.47Å; T353-L357 PolarHBondContact O-N 2.98Å; H354-L357 PolarHBondContact O-N 3.43Å; H354-L357 VanDerWaalsContact O-N 3.13Å; L357-I360 PolarHBondContact O-N 3.25Å; L357-S361 WeakPolarHBondContact O-CB 3.48Å; L357-S361 PolarHBondContact O-N 3.09Å; L357-S361 PolarHBondContact O-OG 3.48Å; L357-R379 HydrophobicContact CD2-CG 4.07Å; L357-R382 HydrophobicContact CD2-CB 3.57Å; L357-R382 HydrophobicContact CG-CB 3.86Å; L357-Q383 HydrophobicContact CD2-CG 3.95Å; L357-R386 HydrophobicContact CD1-CB 4.4Å
358D97.9Very high95.2Very high100 Ų10057.9 Ų57.954%0.53532%0.32SS..Hα-helixtrans-65.8-46.5175.5-69.2-21000110.6H354 I355 A356 I360 S361 Q362H354-D358 PolarHBondContact O-N 2.94Å; I355-D358 PolarHBondContact O-N 3.15Å; A356-D358 VanDerWaalsContact C-N 3.34Å; A356-D358 PolarHBondContact O-N 2.99Å; D358-I360 PolarHBondContact O-N 3.03Å; D358-S361 WeakPolarHBondContact O-CB 3.46Å; D358-S361 PolarHBondContact O-N 2.92Å; D358-S361 VanDerWaalsContact O-N 3.17Å; D358-Q362 WeakPolarHBondContact O-CG 3.45Å; D358-Q362 PolarHBondContact O-N 3.43Å
359K97.2Very high94.3Very high80 Ų8057.1 Ų57.135%0.34833%0.33SS..Hα-helixtrans-60.4-43.3175.3-175.2171.3172.2-173.50111.6D150 V151 I355 A356 S361 Q362 L363D150-K359 IonicContact OD2-NZ 3.16Å; D150-K359 PolarHBondContact OD2-NZ 3.44Å; V151-K359 HydrophobicContact CG1-CB 4.02Å; V151-K359 HydrophobicContact CG1-CD 3.62Å; V151-K359 HydrophobicContact CG1-CG 3.71Å; I355-K359 PolarHBondContact O-N 3.23Å; A356-K359 PolarHBondContact O-N 2.52Å; K359-S361 VanDerWaalsContact C-N 3.32Å; K359-S361 PolarHBondContact O-N 3.43Å; K359-Q362 PolarHBondContact O-N 3.28Å; K359-L363 HydrophobicContact CG-CD1 4.18Å; K359-L363 VanDerWaalsContact O-CG 3.32Å; K359-L363 WeakPolarHBondContact O-CG 3.42Å; K359-L363 PolarHBondContact O-N 3.46Å
360I97.4Very high93.5Very high0 Ų060.9 Ų60.90%036%0.356CS..Hα-helixtrans-60-43.3175.4-70.1161.6000110.9V151 A356 L357 D358 Q362 L363 L364 V378 R379 R382V151-I360 HydrophobicContact CB-CD1 4.11Å; V151-I360 HydrophobicContact CB-CG1 3.78Å; V151-I360 HydrophobicContact CG1-CG1 4.05Å; V151-I360 HydrophobicContact CG2-CD1 4.19Å; V151-I360 HydrophobicContact CG2-CG1 3.72Å; A356-I360 WeakPolarHBondContact O-CB 3.42Å; A356-I360 WeakPolarHBondContact O-CD1 3.47Å; A356-I360 WeakPolarHBondContact O-CG1 3.21Å; A356-I360 PolarHBondContact O-N 2.92Å; L357-I360 PolarHBondContact O-N 3.25Å; D358-I360 PolarHBondContact O-N 3.03Å; I360-Q362 VanDerWaalsContact C-N 3.32Å; I360-Q362 PolarHBondContact O-N 3.26Å; I360-L363 PolarHBondContact O-N 3.39Å; I360-L364 HydrophobicContact CG2-CD1 3.81Å; I360-L364 HydrophobicContact CG2-CG 4.23Å; I360-L364 WeakPolarHBondContact O-CB 3.39Å; I360-L364 WeakPolarHBondContact O-CG 3.25Å; I360-L364 PolarHBondContact O-N 3.31Å; I360-V378 HydrophobicContact CD1-CG1 4.05Å; I360-R379 HydrophobicContact CG2-CB 3.87Å; I360-R379 HydrophobicContact CG2-CG 4.06Å; I360-R382 HydrophobicContact CD1-CG 3.99Å
361S96.7Very high93.1Very high68 Ų6861.4 Ų61.448%0.47636%0.358SS..Hα-helixtrans-63.5-38.6179.7-58.90000112L357 D358 K359 G365L357-S361 WeakPolarHBondContact O-CB 3.48Å; L357-S361 PolarHBondContact O-N 3.09Å; L357-S361 PolarHBondContact O-OG 3.48Å; D358-S361 WeakPolarHBondContact O-CB 3.46Å; D358-S361 PolarHBondContact O-N 2.92Å; D358-S361 VanDerWaalsContact O-N 3.17Å; K359-S361 VanDerWaalsContact C-N 3.32Å; K359-S361 PolarHBondContact O-N 3.43Å; S361-G365 PolarHBondContact O-N 3.17Å
362Q95.1Very high92.9Very high130 Ų13061.7 Ų61.761%0.60736%0.356SS*.Hα-helixtrans-64-47.9173.3-68.8172.3-5.500111.7D358 K359 I360 L364 G365D358-Q362 WeakPolarHBondContact O-CG 3.45Å; D358-Q362 PolarHBondContact O-N 3.43Å; K359-Q362 PolarHBondContact O-N 3.28Å; I360-Q362 VanDerWaalsContact C-N 3.32Å; I360-Q362 PolarHBondContact O-N 3.26Å; Q362-L364 PolarHBondContact O-N 3.33Å; Q362-G365 PolarHBondContact O-N 3.32Å
363L95Very high92.5Very high32 Ų3265.6 Ų65.617%0.16837%0.372CS..Hα-helixtrans-62.2-41.7179.5-69.1171.1000112V151 K359 I360 G365 Q366 C367 L375V151-L363 HydrophobicContact CG1-CD1 4.37Å; K359-L363 HydrophobicContact CG-CD1 4.18Å; K359-L363 VanDerWaalsContact O-CG 3.32Å; K359-L363 WeakPolarHBondContact O-CG 3.42Å; K359-L363 PolarHBondContact O-N 3.46Å; I360-L363 PolarHBondContact O-N 3.39Å; L363-G365 PolarHBondContact O-N 3.44Å; L363-Q366 PolarHBondContact O-N 2.76Å; L363-C367 WeakPolarHBondContact O-CB 3.37Å; L363-C367 PolarHBondContact O-N 3.22Å; L363-L375 HydrophobicContact CB-CD1 3.68Å; L363-L375 HydrophobicContact CB-CD2 4.13Å; L363-L375 HydrophobicContact CD1-CD2 3.89Å
364L95Very high92.3Very high14 Ų1467.3 Ų67.37%0.07338%0.38CS..Hα-helixtrans-60.8-28.4177.4-78.6171.8000113.4I360 Q362 Q366 R372 L375 E376I360-L364 HydrophobicContact CG2-CD1 3.81Å; I360-L364 HydrophobicContact CG2-CG 4.23Å; I360-L364 WeakPolarHBondContact O-CB 3.39Å; I360-L364 WeakPolarHBondContact O-CG 3.25Å; I360-L364 PolarHBondContact O-N 3.31Å; Q362-L364 PolarHBondContact O-N 3.33Å; L364-Q366 VanDerWaalsContact C-N 3.27Å; L364-Q366 PolarHBondContact O-N 3.46Å; L364-R372 HydrophobicContact CD2-CB 4.36Å; L364-R372 HydrophobicContact CD2-CG 3.83Å; L364-R372 PolarHBondContact O-NH2 2.98Å; L364-R372 VanDerWaalsContact O-NH2 3.12Å; L364-L375 HydrophobicContact CD2-CB 3.64Å; L364-L375 HydrophobicContact CD2-CD1 4.06Å; L364-L375 HydrophobicContact CG-CB 4.04Å; L364-L375 HydrophobicContact CG-CD1 4.2Å; L364-E376 HydrophobicContact CD2-CG 4.24Å
365G90.2Very high92.2Very high68 Ų6864.2 Ų64.270%0.70137%0.366SS*.THydrogen-bonded Turntrans-72.5-18.1175.800000114.1S361 Q362 L363S361-G365 PolarHBondContact O-N 3.17Å; Q362-G365 PolarHBondContact O-N 3.32Å; L363-G365 PolarHBondContact O-N 3.44Å
366Q87.6Confident92Very high168 Ų16862.7 Ų62.779%0.78536%0.357SS*.THydrogen-bonded Turntrans-118.1-12.2-171-60.317514.300113.2L363 L364L363-Q366 PolarHBondContact O-N 2.76Å; L364-Q366 VanDerWaalsContact C-N 3.27Å; L364-Q366 PolarHBondContact O-N 3.46Å
367C86.8Confident91.8Very high21 Ų2163.9 Ų63.914%0.14236%0.363CS..  trans-94.1153.8-170.473.60000115.1L363 L371 L375L363-C367 WeakPolarHBondContact O-CB 3.37Å; L363-C367 PolarHBondContact O-N 3.22Å; C367-L371 HydrophobicContact CB-CB 4.07Å; C367-L371 HydrophobicContact CB-CD2 3.59Å; C367-L371 HydrophobicContact CB-CG 3.75Å; C367-L375 HydrophobicContact CB-CD1 4.28Å
368G80Confident91.7Very high51 Ų5163.3 Ų63.353%0.52636%0.36SS..  trans-80.2-171.9167.700000114.2R372G368-R372 WeakPolarHBondContact O-CB 3.47Å; G368-R372 PolarHBondContact O-N 3.32Å; G368-R372 VanDerWaalsContact O-N 3.07Å
369G79.2Confident91.7Very high48 Ų4862 Ų6250%0.49535%0.348SS..Hα-helixtrans-57.5-64.7-169.800000116.3L371 R372 E373G369-L371 VanDerWaalsContact C-N 3.3Å; G369-L371 PolarHBondContact O-N 3.01Å; G369-R372 WeakPolarHBondContact O-CA 3.23Å; G369-R372 VanDerWaalsContact O-CB 3.28Å; G369-R372 WeakPolarHBondContact O-CB 3.33Å; G369-R372 PolarHBondContact O-N 3.49Å; G369-E373 PolarHBondContact O-N 3.5Å
370P81.4Confident91.6Very high103 Ų10359.2 Ų59.267%0.66934%0.34SS*.Hα-helixtrans-60.8-37.3-174.4-25.934.9000113.8R372 E373 Q374P370-R372 VanDerWaalsContact C-N 3.33Å; P370-E373 PolarHBondContact O-N 3.27Å; P370-Q374 WeakPolarHBondContact O-CG 3.37Å; P370-Q374 PolarHBondContact O-N 3.42Å
371L88.9Confident91.6Very high39 Ų3959.2 Ų59.220%0.20434%0.34CS..Hα-helixtrans-67-36.4176.2-177.755.6000111.5V148 C367 G369 Q374 L375V148-L371 HydrophobicContact CG2-CD1 3.41Å; V148-L371 VanDerWaalsContact CG2-CD1 3.41Å; C367-L371 HydrophobicContact CB-CB 4.07Å; C367-L371 HydrophobicContact CB-CD2 3.59Å; C367-L371 HydrophobicContact CB-CG 3.75Å; G369-L371 VanDerWaalsContact C-N 3.3Å; G369-L371 PolarHBondContact O-N 3.01Å; L371-Q374 PolarHBondContact O-N 2.81Å; L371-L375 HydrophobicContact CD1-CD1 4.36Å; L371-L375 HydrophobicContact CD1-CG 4.37Å; L371-L375 HydrophobicContact CG-CD1 4.03Å; L371-L375 WeakPolarHBondContact O-CB 3.04Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.34Å; L371-L375 PolarHBondContact O-N 3.1Å
372R92.9Very high91.6Very high126 Ų12657 Ų5748%0.47532%0.321SS..Hα-helixtrans-60.7-46.1174.9176.9173.1-71-148.5-4.9111.9L364 G368 G369 P370 Q374 L375 E376L364-R372 HydrophobicContact CD2-CB 4.36Å; L364-R372 HydrophobicContact CD2-CG 3.83Å; L364-R372 PolarHBondContact O-NH2 2.98Å; L364-R372 VanDerWaalsContact O-NH2 3.12Å; G368-R372 WeakPolarHBondContact O-CB 3.47Å; G368-R372 PolarHBondContact O-N 3.32Å; G368-R372 VanDerWaalsContact O-N 3.07Å; G369-R372 WeakPolarHBondContact O-CA 3.23Å; G369-R372 VanDerWaalsContact O-CB 3.28Å; G369-R372 WeakPolarHBondContact O-CB 3.33Å; G369-R372 PolarHBondContact O-N 3.49Å; P370-R372 VanDerWaalsContact C-N 3.33Å; R372-Q374 VanDerWaalsContact C-N 3.32Å; R372-Q374 PolarHBondContact O-N 2.96Å; R372-L375 PolarHBondContact O-N 3.26Å; R372-E376 HydrophobicContact CG-CG 4.24Å; R372-E376 WeakPolarHBondContact O-CB 3.38Å; R372-E376 VanDerWaalsContact O-CG 3.24Å; R372-E376 WeakPolarHBondContact O-CG 3.39Å; R372-E376 PolarHBondContact O-N 3.4Å
373E90.6Very high91.7Very high144 Ų14454.1 Ų54.167%0.67331%0.307SS*.Hα-helixtrans-60.1-42.8179.5-68.3179.9-179.400111.9G369 P370 E376 V377G369-E373 PolarHBondContact O-N 3.5Å; P370-E373 PolarHBondContact O-N 3.27Å; E373-E376 PolarHBondContact O-N 3Å; E373-V377 WeakPolarHBondContact O-CG2 3.34Å; E373-V377 PolarHBondContact O-N 3.1Å; E373-V377 VanDerWaalsContact O-N 3.15Å
374Q93.4Very high91.8Very high39 Ų3952.7 Ų52.718%0.18230%0.3CS..Hα-helixtrans-63.9-46.7176.4-64.3-177.43.300111.9Y143 F144 V148 P370 L371 R372 E376 V377 V378Y143-Q374 PolarHBondContact O-NE2 3.05Å; F144-Q374 HydrophobicContact CD1-CB 4.17Å; F144-Q374 HydrophobicContact CD1-CG 3.92Å; F144-Q374 HydrophobicContact CE1-CB 4.22Å; F144-Q374 HydrophobicContact CE1-CG 4.08Å; V148-Q374 HydrophobicContact CG1-CB 4.07Å; V148-Q374 HydrophobicContact CG2-CB 3.84Å; P370-Q374 WeakPolarHBondContact O-CG 3.37Å; P370-Q374 PolarHBondContact O-N 3.42Å; L371-Q374 PolarHBondContact O-N 2.81Å; R372-Q374 VanDerWaalsContact C-N 3.32Å; R372-Q374 PolarHBondContact O-N 2.96Å; Q374-E376 VanDerWaalsContact C-N 3.29Å; Q374-E376 PolarHBondContact O-N 2.84Å; Q374-V377 PolarHBondContact O-N 3.42Å; Q374-V378 WeakPolarHBondContact O-CG2 3.23Å; Q374-V378 PolarHBondContact O-N 2.56Å; Q374-V378 VanDerWaalsContact O-N 3.09Å
375L95.3Very high91.9Very high1 Ų152.2 Ų52.21%0.00530%0.297CS..Hα-helixtrans-61.5-37.3177.1-74.5169.3000112.1V148 V151 L363 L364 C367 L371 R372 V378 R379V148-L375 HydrophobicContact CG2-CD2 3.94Å; V148-L375 HydrophobicContact CG2-CG 4.02Å; V151-L375 HydrophobicContact CG2-CD2 4.34Å; L363-L375 HydrophobicContact CB-CD1 3.68Å; L363-L375 HydrophobicContact CB-CD2 4.13Å; L363-L375 HydrophobicContact CD1-CD2 3.89Å; L364-L375 HydrophobicContact CD2-CB 3.64Å; L364-L375 HydrophobicContact CD2-CD1 4.06Å; L364-L375 HydrophobicContact CG-CB 4.04Å; L364-L375 HydrophobicContact CG-CD1 4.2Å; C367-L375 HydrophobicContact CB-CD1 4.28Å; L371-L375 HydrophobicContact CD1-CD1 4.36Å; L371-L375 HydrophobicContact CD1-CG 4.37Å; L371-L375 HydrophobicContact CG-CD1 4.03Å; L371-L375 WeakPolarHBondContact O-CB 3.04Å; L371-L375 VanDerWaalsContact O-CG 3.3Å; L371-L375 WeakPolarHBondContact O-CG 3.34Å; L371-L375 PolarHBondContact O-N 3.1Å; R372-L375 PolarHBondContact O-N 3.26Å; L375-V378 PolarHBondContact O-N 3.07Å; L375-R379 VanDerWaalsContact O-CB 3.28Å; L375-R379 WeakPolarHBondContact O-CB 3.32Å; L375-R379 PolarHBondContact O-N 3.28Å
376E94.6Very high92.2Very high65 Ų6553.2 Ų53.230%0.30428%0.28SS..Hα-helixtrans-65.1-42177.4-76.8-66174.500112.4L364 R372 E373 Q374 R379 A380L364-E376 HydrophobicContact CD2-CG 4.24Å; R372-E376 HydrophobicContact CG-CG 4.24Å; R372-E376 WeakPolarHBondContact O-CB 3.38Å; R372-E376 VanDerWaalsContact O-CG 3.24Å; R372-E376 WeakPolarHBondContact O-CG 3.39Å; R372-E376 PolarHBondContact O-N 3.4Å; E373-E376 PolarHBondContact O-N 3Å; Q374-E376 VanDerWaalsContact C-N 3.29Å; Q374-E376 PolarHBondContact O-N 2.84Å; E376-R379 VanDerWaalsContact CD-CZ 3.44Å; E376-R379 WeakPolarHBondContact O-CB 3.47Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 IonicContact OE1-CZ 3.72Å; E376-R379 IonicContact OE1-NE 2.92Å; E376-R379 IonicContact OE1-NH1 2.59Å; E376-R379 IonicContact OE1-NH2 2.98Å; E376-R379 PolarHBondContact OE1-NH2 2.65Å; E376-R379 IonicContact OE2-CZ 2.7Å; E376-R379 IonicContact OE2-NE 3.68Å; E376-R379 PolarHBondContact OE2-NE 3.08Å; E376-R379 IonicContact OE2-NH2 3.98Å; E376-R379 PolarHBondContact OE2-NH2 3.36Å; E376-A380 PolarHBondContact O-N 3.24Å
377V94.3Very high92.7Very high32 Ų3250.4 Ų50.419%0.19426%0.262CS..Hα-helixtrans-62.7-44.2174.7174.20000110.8L245 V251 E373 Q374 R379 A380 L381L245-V377 HydrophobicContact CD1-CG1 3.44Å; L245-V377 VanDerWaalsContact CD1-CG1 3.44Å; V251-V377 HydrophobicContact CG2-CG1 4.09Å; E373-V377 WeakPolarHBondContact O-CG2 3.34Å; E373-V377 PolarHBondContact O-N 3.1Å; E373-V377 VanDerWaalsContact O-N 3.15Å; Q374-V377 PolarHBondContact O-N 3.42Å; V377-R379 VanDerWaalsContact C-N 3.35Å; V377-A380 PolarHBondContact O-N 2.76Å; V377-L381 PolarHBondContact O-N 3.08Å; V377-L381 VanDerWaalsContact O-N 3.13Å
378V96.4Very high93.1Very high0 Ų049.5 Ų49.50%026%0.256CS..Hα-helixtrans-69-34.6177.3-179.60000111.9F144 V148 V151 L152 I360 Q374 L375 A380 L381 R382F144-V378 HydrophobicContact CD2-CG2 4.24Å; F144-V378 HydrophobicContact CE2-CG2 3.61Å; F144-V378 HydrophobicContact CZ-CG2 4.19Å; V148-V378 HydrophobicContact CG1-CG2 3.58Å; V151-V378 HydrophobicContact CG2-CG1 4Å; L152-V378 HydrophobicContact CD2-CB 4.37Å; L152-V378 HydrophobicContact CD2-CG1 3.85Å; L152-V378 HydrophobicContact CD2-CG2 3.62Å; L152-V378 HydrophobicContact CG-CG1 4.41Å; L152-V378 HydrophobicContact CG-CG2 4.31Å; I360-V378 HydrophobicContact CD1-CG1 4.05Å; Q374-V378 WeakPolarHBondContact O-CG2 3.23Å; Q374-V378 PolarHBondContact O-N 2.56Å; Q374-V378 VanDerWaalsContact O-N 3.09Å; L375-V378 PolarHBondContact O-N 3.07Å; V378-A380 VanDerWaalsContact C-N 3.34Å; V378-A380 PolarHBondContact O-N 3.22Å; V378-L381 WeakPolarHBondContact O-CB 3.26Å; V378-L381 PolarHBondContact O-N 2.83Å; V378-R382 HydrophobicContact CG1-CG 4.42Å; V378-R382 WeakPolarHBondContact O-CG 3.36Å; V378-R382 PolarHBondContact O-N 3.14Å
379R97Very high94Very high74 Ų7447 Ų4728%0.27923%0.231SC..Hα-helixtrans-59-47172.9-166.7170.267.5167.43.3111L357 I360 L375 E376 V377 L381 R382 Q383L357-R379 HydrophobicContact CD2-CG 4.07Å; I360-R379 HydrophobicContact CG2-CB 3.87Å; I360-R379 HydrophobicContact CG2-CG 4.06Å; L375-R379 VanDerWaalsContact O-CB 3.28Å; L375-R379 WeakPolarHBondContact O-CB 3.32Å; L375-R379 PolarHBondContact O-N 3.28Å; E376-R379 VanDerWaalsContact CD-CZ 3.44Å; E376-R379 WeakPolarHBondContact O-CB 3.47Å; E376-R379 PolarHBondContact O-N 3.31Å; E376-R379 IonicContact OE1-CZ 3.72Å; E376-R379 IonicContact OE1-NE 2.92Å; E376-R379 IonicContact OE1-NH1 2.59Å; E376-R379 IonicContact OE1-NH2 2.98Å; E376-R379 PolarHBondContact OE1-NH2 2.65Å; E376-R379 IonicContact OE2-CZ 2.7Å; E376-R379 IonicContact OE2-NE 3.68Å; E376-R379 PolarHBondContact OE2-NE 3.08Å; E376-R379 IonicContact OE2-NH2 3.98Å; E376-R379 PolarHBondContact OE2-NH2 3.36Å; V377-R379 VanDerWaalsContact C-N 3.35Å; R379-L381 VanDerWaalsContact C-N 3.32Å; R379-L381 PolarHBondContact O-N 3.08Å; R379-R382 PolarHBondContact O-N 3.04Å; R379-Q383 HydrophobicContact CG-CG 4.47Å; R379-Q383 WeakPolarHBondContact O-CB 3.49Å; R379-Q383 VanDerWaalsContact O-CG 3.28Å; R379-Q383 WeakPolarHBondContact O-CG 3.2Å; R379-Q383 PolarHBondContact O-N 3.49Å
380A96.1Very high94.8Very high21 Ų2148.5 Ų48.517%0.17422%0.224CC..Hα-helixtrans-58.9-44.417700000111.3V251 M253 E376 V377 V378 R382 Q383 E384V251-A380 HydrophobicContact CB-CB 4.09Å; V251-A380 HydrophobicContact CG1-CB 4.08Å; M253-A380 HydrophobicContact SD-CB 3.87Å; E376-A380 PolarHBondContact O-N 3.24Å; V377-A380 PolarHBondContact O-N 2.76Å; V378-A380 VanDerWaalsContact C-N 3.34Å; V378-A380 PolarHBondContact O-N 3.22Å; A380-R382 PolarHBondContact O-N 3.37Å; A380-Q383 PolarHBondContact O-N 3.25Å; A380-E384 PolarHBondContact O-N 2.96Å
381L96.8Very high95.4Very high0 Ų046.4 Ų46.40%021%0.208CC..Hα-helixtrans-57.7-51.2175.2-179.465.4000111.4L152 P153 V156 V241 Q242 L245 V251 V377 V378 R379 Q383 E384 E385L152-L381 HydrophobicContact CD2-CD2 4.35Å; P153-L381 HydrophobicContact CG-CD2 3.74Å; P153-L381 HydrophobicContact CG-CG 4.37Å; V156-L381 HydrophobicContact CG2-CD2 4.47Å; V241-L381 HydrophobicContact CB-CD1 4.11Å; V241-L381 HydrophobicContact CG2-CD1 3.87Å; Q242-L381 HydrophobicContact CG-CD1 4.15Å; L245-L381 HydrophobicContact CD2-CD2 3.63Å; V251-L381 HydrophobicContact CG2-CB 3.88Å; V377-L381 PolarHBondContact O-N 3.08Å; V377-L381 VanDerWaalsContact O-N 3.13Å; V378-L381 WeakPolarHBondContact O-CB 3.26Å; V378-L381 PolarHBondContact O-N 2.83Å; R379-L381 VanDerWaalsContact C-N 3.32Å; R379-L381 PolarHBondContact O-N 3.08Å; L381-Q383 VanDerWaalsContact C-N 3.3Å; L381-Q383 PolarHBondContact O-N 3.29Å; L381-E384 WeakPolarHBondContact O-CB 3.44Å; L381-E384 PolarHBondContact O-N 3.11Å; L381-E385 WeakPolarHBondContact O-CG 3.32Å; L381-E385 PolarHBondContact O-N 3.02Å
382R97.8Very high95.7Very high22 Ų2244.5 Ų44.58%0.08320%0.198CC..Hα-helixtrans-64.6-33.5-179.4-68.3-53.8-16115812.7112.9V151 L152 P153 T353 A356 L357 I360 V378 R379 A380 E385 R386V151-R382 PolarHBondContact O-NE 2.87Å; V151-R382 PolarHBondContact O-NH2 3.2Å; L152-R382 PolarHBondContact O-NH2 2.88Å; P153-R382 VanDerWaalsContact N-CZ 3.32Å; T353-R382 HydrophobicContact CG2-CB 4.28Å; T353-R382 WeakPolarHBondContact CG2-O 3.3Å; A356-R382 HydrophobicContact CB-CG 4.28Å; L357-R382 HydrophobicContact CD2-CB 3.57Å; L357-R382 HydrophobicContact CG-CB 3.86Å; I360-R382 HydrophobicContact CD1-CG 3.99Å; V378-R382 HydrophobicContact CG1-CG 4.42Å; V378-R382 WeakPolarHBondContact O-CG 3.36Å; V378-R382 PolarHBondContact O-N 3.14Å; R379-R382 PolarHBondContact O-N 3.04Å; A380-R382 PolarHBondContact O-N 3.37Å; R382-E385 WeakPolarHBondContact CD-OE2 3.35Å; R382-E385 IonicContact CZ-OE2 2.76Å; R382-E385 IonicContact NE-OE2 3.67Å; R382-E385 IonicContact NH1-OE2 3.81Å; R382-E385 PolarHBondContact NH1-OE2 3.12Å; R382-E385 PolarHBondContact O-N 3.22Å; R382-R386 WeakPolarHBondContact O-CB 3.47Å; R382-R386 PolarHBondContact O-N 3.41Å
383Q97.4Very high95.8Very high68 Ų6839.1 Ų39.132%0.31818%0.179SC..Hα-helixtrans-66-40.9174-75.8175.1-7.400111.9M253 L357 R379 A380 L381 R386 W387M253-Q383 HydrophobicContact CE-CB 4.15Å; L357-Q383 HydrophobicContact CD2-CG 3.95Å; R379-Q383 HydrophobicContact CG-CG 4.47Å; R379-Q383 WeakPolarHBondContact O-CB 3.49Å; R379-Q383 VanDerWaalsContact O-CG 3.28Å; R379-Q383 WeakPolarHBondContact O-CG 3.2Å; R379-Q383 PolarHBondContact O-N 3.49Å; A380-Q383 PolarHBondContact O-N 3.25Å; L381-Q383 VanDerWaalsContact C-N 3.3Å; L381-Q383 PolarHBondContact O-N 3.29Å; Q383-R386 PolarHBondContact O-N 3.02Å; Q383-W387 PolarHBondContact O-N 3.34Å
384E95.9Very high95.8Very high2 Ų235.7 Ų35.71%0.00917%0.168CC..Hα-helixtrans-64.1-44.3174.2-170.581.917200110.9V241 M253 N254 N255 S258 A380 L381 R386 W387 I388V241-E384 HydrophobicContact CG1-CG 4.26Å; V241-E384 HydrophobicContact CG2-CG 4.09Å; M253-E384 HydrophobicContact CE-CB 4.49Å; N254-E384 PolarHBondContact N-OE1 3.37Å; N254-E384 PolarHBondContact N-OE2 3.09Å; N255-E384 PolarHBondContact N-OE1 3Å; N255-E384 VanDerWaalsContact N-OE1 3.08Å; S258-E384 WeakPolarHBondContact CB-OE1 3.49Å; S258-E384 PolarHBondContact OG-OE1 3.11Å; A380-E384 PolarHBondContact O-N 2.96Å; L381-E384 WeakPolarHBondContact O-CB 3.44Å; L381-E384 PolarHBondContact O-N 3.11Å; E384-R386 PolarHBondContact O-N 3Å; E384-W387 PolarHBondContact O-N 3.28Å; E384-I388 HydrophobicContact CG-CD1 4.24Å; E384-I388 VanDerWaalsContact O-CG1 3.32Å; E384-I388 WeakPolarHBondContact O-CG1 3.39Å; E384-I388 PolarHBondContact O-N 3.15Å
385E97.1Very high95.7Very high5 Ų535.4 Ų35.42%0.02317%0.172CC..Hα-helixtrans-58.7-45.6174.5-66-169.6140.100111.8P153 Q242 V260 T353 L381 R382 W387 I388 L389P153-E385 WeakPolarHBondContact CB-OE1 3.06Å; P153-E385 WeakPolarHBondContact CG-OE1 3.43Å; P153-E385 WeakPolarHBondContact CG-OE2 3.24Å; Q242-E385 PolarHBondContact NE2-OE1 3.38Å; V260-E385 HydrophobicContact CG2-CB 3.94Å; V260-E385 HydrophobicContact CG2-CG 3.96Å; T353-E385 HydrophobicContact CG2-CB 4.26Å; L381-E385 WeakPolarHBondContact O-CG 3.32Å; L381-E385 PolarHBondContact O-N 3.02Å; R382-E385 WeakPolarHBondContact CD-OE2 3.35Å; R382-E385 IonicContact CZ-OE2 2.76Å; R382-E385 IonicContact NE-OE2 3.67Å; R382-E385 IonicContact NH1-OE2 3.81Å; R382-E385 PolarHBondContact NH1-OE2 3.12Å; R382-E385 PolarHBondContact O-N 3.22Å; E385-W387 VanDerWaalsContact C-N 3.34Å; E385-W387 PolarHBondContact O-N 3.1Å; E385-I388 PolarHBondContact O-N 2.89Å; E385-L389 WeakPolarHBondContact O-CB 3.38Å; E385-L389 WeakPolarHBondContact O-CD1 3.1Å; E385-L389 VanDerWaalsContact O-CG 3.23Å; E385-L389 WeakPolarHBondContact O-CG 3.42Å; E385-L389 PolarHBondContact O-N 3.4Å
386R97.6Very high95.3Very high89 Ų8936.2 Ų36.234%0.33618%0.176SC..Hα-helixtrans-56.7-50.2177.5-175.3-178.566.9-178.31.7110.6L350 T353 H354 L357 R382 Q383 E384 I388 L389 E390L350-R386 HydrophobicContact CD1-CG 3.8Å; T353-R386 HydrophobicContact CG2-CB 3.8Å; H354-R386 WeakPolarHBondContact NE2-CD 3.3Å; L357-R386 HydrophobicContact CD1-CB 4.4Å; R382-R386 WeakPolarHBondContact O-CB 3.47Å; R382-R386 PolarHBondContact O-N 3.41Å; Q383-R386 PolarHBondContact O-N 3.02Å; E384-R386 PolarHBondContact O-N 3Å; R386-I388 VanDerWaalsContact C-N 3.32Å; R386-I388 PolarHBondContact O-N 3.34Å; R386-L389 PolarHBondContact O-N 3.2Å; R386-E390 HydrophobicContact CG-CG 4.24Å; R386-E390 WeakPolarHBondContact CG-OE1 3.38Å; R386-E390 IonicContact NE-OE1 3.97Å; R386-E390 WeakPolarHBondContact O-CB 3.23Å; R386-E390 VanDerWaalsContact O-CG 3.3Å; R386-E390 WeakPolarHBondContact O-CG 3.36Å; R386-E390 PolarHBondContact O-N 2.89Å
387W96.6Very high94.6Very high108 Ų10837.3 Ų37.341%0.40918%0.18SC..Hα-helixtrans-59.5-43.2179.9179.884.3000111.8Q383 E384 E385 N391Q383-W387 PolarHBondContact O-N 3.34Å; E384-W387 PolarHBondContact O-N 3.28Å; E385-W387 VanDerWaalsContact C-N 3.34Å; E385-W387 PolarHBondContact O-N 3.1Å; W387-N391 PolarHBondContact NE1-ND2 2.84Å; W387-N391 PolarHBondContact O-N 3.15Å; W387-N391 PolarHBondContact O-ND2 2.89Å
388I96.3Very high93.5Very high2 Ų240 Ų401%0.0119%0.193CC..Hα-helixtrans-60.7-49.8176.6-69.7166000111V260 V295 E384 E385 R386 N391 C392V260-I388 HydrophobicContact CG2-CB 4.04Å; V260-I388 HydrophobicContact CG2-CD1 4.1Å; V260-I388 HydrophobicContact CG2-CG2 3.83Å; V295-I388 HydrophobicContact CG1-CG2 4.4Å; V295-I388 WeakPolarHBondContact O-CG2 3.49Å; E384-I388 HydrophobicContact CG-CD1 4.24Å; E384-I388 VanDerWaalsContact O-CG1 3.32Å; E384-I388 WeakPolarHBondContact O-CG1 3.39Å; E384-I388 PolarHBondContact O-N 3.15Å; E385-I388 PolarHBondContact O-N 2.89Å; R386-I388 VanDerWaalsContact C-N 3.32Å; R386-I388 PolarHBondContact O-N 3.34Å; I388-N391 PolarHBondContact O-N 2.88Å; I388-C392 WeakPolarHBondContact O-CB 3.13Å; I388-C392 PolarHBondContact O-N 3.17Å
389L97.4Very high92Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-68.7-39.3-174.3-68.2164.7000112.2V260 V295 C346 L349 L350 E385 R386 N391 C392 V393V260-L389 HydrophobicContact CB-CD2 4.42Å; V260-L389 HydrophobicContact CG1-CD1 4.49Å; V260-L389 HydrophobicContact CG1-CD2 4.42Å; V260-L389 HydrophobicContact CG2-CD1 4.39Å; V260-L389 HydrophobicContact CG2-CD2 4.38Å; V260-L389 HydrophobicContact CG2-CG 4.09Å; V295-L389 HydrophobicContact CG1-CD2 4.25Å; C346-L389 HydrophobicContact CB-CD2 4.34Å; L349-L389 HydrophobicContact CB-CD1 3.71Å; L349-L389 HydrophobicContact CB-CD2 3.89Å; L349-L389 HydrophobicContact CB-CG 4.48Å; L349-L389 HydrophobicContact CD1-CD2 4.04Å; L350-L389 HydrophobicContact CB-CB 4.16Å; L350-L389 HydrophobicContact CB-CD1 4.42Å; L350-L389 HydrophobicContact CD1-CB 4.13Å; E385-L389 WeakPolarHBondContact O-CB 3.38Å; E385-L389 WeakPolarHBondContact O-CD1 3.1Å; E385-L389 VanDerWaalsContact O-CG 3.23Å; E385-L389 WeakPolarHBondContact O-CG 3.42Å; E385-L389 PolarHBondContact O-N 3.4Å; R386-L389 PolarHBondContact O-N 3.2Å; L389-N391 PolarHBondContact O-N 3.07Å; L389-C392 PolarHBondContact O-N 3.18Å; L389-V393 WeakPolarHBondContact O-CB 3.4Å; L389-V393 VanDerWaalsContact O-CG2 3.27Å; L389-V393 WeakPolarHBondContact O-CG2 3.11Å; L389-V393 PolarHBondContact O-N 2.86Å
390E96.6Very high90.3Very high78 Ų7840.7 Ų40.736%0.36421%0.208SC..Hα-helixtrans-59.9-44.7174.9-75.4173.5169.100112L350 R386 T394L350-E390 HydrophobicContact CD1-CG 3.93Å; L350-E390 HydrophobicContact CD2-CG 4.12Å; R386-E390 HydrophobicContact CG-CG 4.24Å; R386-E390 WeakPolarHBondContact CG-OE1 3.38Å; R386-E390 IonicContact NE-OE1 3.97Å; R386-E390 WeakPolarHBondContact O-CB 3.23Å; R386-E390 VanDerWaalsContact O-CG 3.3Å; R386-E390 WeakPolarHBondContact O-CG 3.36Å; R386-E390 PolarHBondContact O-N 2.89Å; E390-T394 PolarHBondContact O-N 3.3Å; E390-T394 PolarHBondContact O-OG1 3.48Å
391N95.1Very high88.5Confident59 Ų5943.9 Ų43.932%0.31622%0.221SC..Hα-helixtrans-68.2-42.9177.2-73.8-63000111.6S297 W387 I388 L389 V393 T394 A395S297-N391 CarbonylContact O-C 3.5Å; S297-N391 WeakPolarHBondContact O-CB 3.11Å; W387-N391 PolarHBondContact NE1-ND2 2.84Å; W387-N391 PolarHBondContact O-N 3.15Å; W387-N391 PolarHBondContact O-ND2 2.89Å; I388-N391 PolarHBondContact O-N 2.88Å; L389-N391 PolarHBondContact O-N 3.07Å; N391-V393 PolarHBondContact O-N 3.19Å; N391-T394 WeakPolarHBondContact O-CB 3.5Å; N391-T394 PolarHBondContact O-N 3.28Å; N391-T394 VanDerWaalsContact O-N 3.14Å; N391-A395 PolarHBondContact O-N 2.91Å
392C95Very high86.3Confident0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-59.6-46.6176.5179.80000112.3V295 S296 I388 L389 T394 A395 L396V295-C392 HydrophobicContact CG1-CB 3.66Å; V295-C392 WeakPolarHBondContact CG1-SG 2.8Å; S296-C392 WeakPolarHBondContact O-CB 3.34Å; I388-C392 WeakPolarHBondContact O-CB 3.13Å; I388-C392 PolarHBondContact O-N 3.17Å; L389-C392 PolarHBondContact O-N 3.18Å; C392-T394 PolarHBondContact O-N 3.4Å; C392-A395 PolarHBondContact O-N 3.18Å; C392-L396 WeakPolarHBondContact O-CG 3.16Å; C392-L396 PolarHBondContact O-N 3.47Å
393V94.3Very high84.3Confident13 Ų1352.2 Ų52.28%0.07926%0.264CS..Hα-helixtrans-60.9-33.8177.7169.50000111.3C346 Q347 L389 N391 K397C346-V393 HydrophobicContact CB-CG2 3.56Å; Q347-V393 HydrophobicContact CG-CG2 4.29Å; L389-V393 WeakPolarHBondContact O-CB 3.4Å; L389-V393 VanDerWaalsContact O-CG2 3.27Å; L389-V393 WeakPolarHBondContact O-CG2 3.11Å; L389-V393 PolarHBondContact O-N 2.86Å; N391-V393 PolarHBondContact O-N 3.19Å; V393-K397 WeakPolarHBondContact O-CG 3.36Å; V393-K397 PolarHBondContact O-N 3.3Å
394T91.6Very high82.2Confident71 Ų7156 Ų5644%0.43628%0.279SS..Hα-helixtrans-70.5-48.1175.2-560000111E390 N391 C392 L396 K397 D398E390-T394 PolarHBondContact O-N 3.3Å; E390-T394 PolarHBondContact O-OG1 3.48Å; N391-T394 WeakPolarHBondContact O-CB 3.5Å; N391-T394 PolarHBondContact O-N 3.28Å; N391-T394 VanDerWaalsContact O-N 3.14Å; C392-T394 PolarHBondContact O-N 3.4Å; T394-L396 VanDerWaalsContact C-N 3.28Å; T394-L396 PolarHBondContact O-N 2.76Å; T394-K397 WeakPolarHBondContact O-CB 3.27Å; T394-K397 PolarHBondContact O-N 2.85Å; T394-D398 PolarHBondContact O-N 3.39Å
395A89.6Confident79.9Confident34 Ų3461.7 Ų61.728%0.28131%0.306SS..Hα-helixtrans-57.3-39.917700000112.7N391 C392 K397 D398 S399N391-A395 PolarHBondContact O-N 2.91Å; C392-A395 PolarHBondContact O-N 3.18Å; A395-K397 VanDerWaalsContact C-N 3.3Å; A395-K397 PolarHBondContact O-N 3.07Å; A395-D398 PolarHBondContact O-N 3.31Å; A395-S399 PolarHBondContact O-N 2.85Å; A395-S399 VanDerWaalsContact O-N 3.17Å
396L87.4Confident77.6Confident17 Ų1765.1 Ų65.19%0.08933%0.327CS..Hα-helixtrans-70.1-20175.9-72173.2000114P300 A342 R343 C392 T394 S399 V400P300-L396 HydrophobicContact CG-CD1 4.16Å; P300-L396 HydrophobicContact CG-CD2 4.11Å; A342-L396 HydrophobicContact CB-CD1 4.39Å; R343-L396 HydrophobicContact CB-CD1 4.31Å; C392-L396 WeakPolarHBondContact O-CG 3.16Å; C392-L396 PolarHBondContact O-N 3.47Å; T394-L396 VanDerWaalsContact C-N 3.28Å; T394-L396 PolarHBondContact O-N 2.76Å; L396-S399 PolarHBondContact O-OG 3.02Å; L396-S399 VanDerWaalsContact O-OG 3.1Å; L396-V400 WeakPolarHBondContact O-CG2 3.5Å
397K79.6Confident75.2Confident88 Ų8864.1 Ų64.138%0.38333%0.334SS..Hα-helixtrans-77.8-43.1172.1-74.4170.3-176.8176.10110.7V393 T394 A395 S399 V400 I401V393-K397 WeakPolarHBondContact O-CG 3.36Å; V393-K397 PolarHBondContact O-N 3.3Å; T394-K397 WeakPolarHBondContact O-CB 3.27Å; T394-K397 PolarHBondContact O-N 2.85Å; A395-K397 VanDerWaalsContact C-N 3.3Å; A395-K397 PolarHBondContact O-N 3.07Å; K397-S399 VanDerWaalsContact C-N 3.33Å; K397-S399 PolarHBondContact O-N 3.23Å; K397-V400 PolarHBondContact O-N 3.22Å; K397-I401 WeakPolarHBondContact O-CG1 3.48Å; K397-I401 PolarHBondContact O-N 3.26Å
398D71.6Confident72.7Confident88 Ų8862 Ų6247%0.47134%0.336SS..Hα-helixtrans-66.6-36-177.2-66.4-14000111.4T394 A395 V400 I401 L402T394-D398 PolarHBondContact O-N 3.39Å; A395-D398 PolarHBondContact O-N 3.31Å; D398-V400 PolarHBondContact O-N 2.98Å; D398-I401 PolarHBondContact O-N 3.37Å; D398-L402 PolarHBondContact O-N 2.7Å
399S65.3Low70.1Confident43 Ų4365.7 Ų65.730%0.30136%0.361SS..Hα-helixtrans-61.8-42.8174.962.20000112.7A395 L396 K397 I401 L402 E403A395-S399 PolarHBondContact O-N 2.85Å; A395-S399 VanDerWaalsContact O-N 3.17Å; L396-S399 PolarHBondContact O-OG 3.02Å; L396-S399 VanDerWaalsContact O-OG 3.1Å; K397-S399 VanDerWaalsContact C-N 3.33Å; K397-S399 PolarHBondContact O-N 3.23Å; S399-I401 VanDerWaalsContact C-N 3.32Å; S399-I401 PolarHBondContact O-N 3.15Å; S399-L402 PolarHBondContact O-N 3.07Å; S399-E403 WeakPolarHBondContact O-CG 3.38Å; S399-E403 PolarHBondContact O-N 3.16Å
400V60.3Low67.5Low46 Ų4673.6 Ų73.628%0.27940%0.395SS..Hα-helixtrans-67.9-32.3178.9175.70000111.7L396 K397 D398 K404L396-V400 WeakPolarHBondContact O-CG2 3.5Å; K397-V400 PolarHBondContact O-N 3.22Å; D398-V400 PolarHBondContact O-N 2.98Å; V400-K404 WeakPolarHBondContact O-CG 3.29Å; V400-K404 PolarHBondContact O-N 3.17Å; V400-K404 VanDerWaalsContact O-N 3.12Å
401I58.4Low65Low88 Ų8872.8 Ų72.845%0.45140%0.402SS..Hα-helixtrans-70.4-46.6176-65.7167.7000110.2K397 D398 S399 E403 K404 E405K397-I401 WeakPolarHBondContact O-CG1 3.48Å; K397-I401 PolarHBondContact O-N 3.26Å; D398-I401 PolarHBondContact O-N 3.37Å; S399-I401 VanDerWaalsContact C-N 3.32Å; S399-I401 PolarHBondContact O-N 3.15Å; I401-E403 VanDerWaalsContact C-N 3.31Å; I401-E403 PolarHBondContact O-N 3.05Å; I401-K404 PolarHBondContact O-N 3.39Å; I401-K404 VanDerWaalsContact O-N 3.17Å; I401-E405 HydrophobicContact CG2-CG 4.43Å; I401-E405 WeakPolarHBondContact O-CG 3.35Å; I401-E405 PolarHBondContact O-N 2.87Å
402L51.4Low62.4Low108 Ų10875.5 Ų75.557%0.56542%0.416SS*.Hα-helixtrans-60.1-38.5175.9-95.9135.6000112.6D398 S399 T406D398-L402 PolarHBondContact O-N 2.7Å; S399-L402 PolarHBondContact O-N 3.07Å; L402-T406 WeakPolarHBondContact O-CB 3.39Å; L402-T406 VanDerWaalsContact O-CG2 3.31Å; L402-T406 WeakPolarHBondContact O-CG2 3.27Å; L402-T406 PolarHBondContact O-N 3.26Å; L402-T406 PolarHBondContact O-OG1 3.44Å
403E56.6Low60Low90 Ų9081.8 Ų81.842%0.42145%0.448SS..Hα-helixtrans-66.3-40.8174.6-76.9174.9-176.100112.2S399 I401 T406 S407S399-E403 WeakPolarHBondContact O-CG 3.38Å; S399-E403 PolarHBondContact O-N 3.16Å; I401-E403 VanDerWaalsContact C-N 3.31Å; I401-E403 PolarHBondContact O-N 3.05Å; E403-T406 WeakPolarHBondContact CA-OG1 3.08Å; E403-T406 PolarHBondContact O-OG1 3.22Å; E403-T406 VanDerWaalsContact O-OG1 3.07Å; E403-S407 WeakPolarHBondContact O-CB 3.14Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 3.15Å
404K53.2Low57.3Low148 Ų14883.8 Ų83.864%0.64347%0.471SS*.Hα-helixtrans-66.5-39.2174.8-78.1-177.8178.8-174.10113V400 I401 S407 S408V400-K404 WeakPolarHBondContact O-CG 3.29Å; V400-K404 PolarHBondContact O-N 3.17Å; V400-K404 VanDerWaalsContact O-N 3.12Å; I401-K404 PolarHBondContact O-N 3.39Å; I401-K404 VanDerWaalsContact O-N 3.17Å; K404-S407 WeakPolarHBondContact CA-OG 3.05Å; K404-S407 PolarHBondContact O-OG 2.64Å; K404-S408 WeakPolarHBondContact O-CB 3.33Å; K404-S408 PolarHBondContact O-N 3.18Å
405E46Very low54.9Low120 Ų12086.2 Ų86.256%0.56149%0.486SS*.Hα-helixtrans-69.3-40177.7-73.6-178.917200111.7I401 C409I401-E405 HydrophobicContact CG2-CG 4.43Å; I401-E405 WeakPolarHBondContact O-CG 3.35Å; I401-E405 PolarHBondContact O-N 2.87Å; E405-C409 WeakPolarHBondContact O-CB 3.24Å; E405-C409 PolarHBondContact O-N 3.03Å; E405-C409 PolarHBondContact O-SG 3.01Å
406T49Very low52.5Low78 Ų7893 Ų9348%0.47951%0.514SS..Hα-helixtrans-72.5-35.3177.950.30000113.1L402 E403 K410L402-T406 WeakPolarHBondContact O-CB 3.39Å; L402-T406 VanDerWaalsContact O-CG2 3.31Å; L402-T406 WeakPolarHBondContact O-CG2 3.27Å; L402-T406 PolarHBondContact O-N 3.26Å; L402-T406 PolarHBondContact O-OG1 3.44Å; E403-T406 WeakPolarHBondContact CA-OG1 3.08Å; E403-T406 PolarHBondContact O-OG1 3.22Å; E403-T406 VanDerWaalsContact O-OG1 3.07Å; T406-K410 WeakPolarHBondContact O-CG 3.37Å; T406-K410 PolarHBondContact O-N 3.47Å; T406-K410 VanDerWaalsContact O-N 3.11Å
407S48.8Very low50Low68 Ų68100.7 Ų100.748%0.47657%0.569SS.*Hα-helixtrans-72.8-35.1172.945.90000112.7E403 K404 K410 A411E403-S407 WeakPolarHBondContact O-CB 3.14Å; E403-S407 PolarHBondContact O-N 2.93Å; E403-S407 PolarHBondContact O-OG 3.15Å; K404-S407 WeakPolarHBondContact CA-OG 3.05Å; K404-S407 PolarHBondContact O-OG 2.64Å; S407-K410 PolarHBondContact O-N 3.34Å; S407-A411 WeakPolarHBondContact O-CB 3.42Å; S407-A411 PolarHBondContact O-N 3.28Å
408S43.2Very low48.5Very low64 Ų64101.3 Ų101.345%0.44858%0.578SS.*Hα-helixtrans-62.5-42.2169.8174.30000112.5K404 K410 A411 N412K404-S408 WeakPolarHBondContact O-CB 3.33Å; K404-S408 PolarHBondContact O-N 3.18Å; S408-K410 VanDerWaalsContact C-N 3.35Å; S408-K410 PolarHBondContact O-N 2.96Å; S408-A411 PolarHBondContact O-N 3.19Å; S408-N412 PolarHBondContact O-N 3.35Å
409C41.8Very low47.3Very low79 Ų79102 Ų10253%0.53458%0.584SS.*Hα-helixtrans-65.2-35.9174.9-69.50000112.5E405 I413E405-C409 WeakPolarHBondContact O-CB 3.24Å; E405-C409 PolarHBondContact O-N 3.03Å; E405-C409 PolarHBondContact O-SG 3.01Å; C409-I413 WeakPolarHBondContact O-CD1 3.49Å; C409-I413 VanDerWaalsContact O-CG1 3.29Å; C409-I413 WeakPolarHBondContact O-CG1 3.47Å; C409-I413 PolarHBondContact O-N 3.15Å
410K43.8Very low46.3Very low166 Ų166105.3 Ų105.372%0.72260%0.6SS**Hα-helixtrans-70.6-36.3174.4-74.3179.6179.5-179.60112.8T406 S407 S408 I413T406-K410 WeakPolarHBondContact O-CG 3.37Å; T406-K410 PolarHBondContact O-N 3.47Å; T406-K410 VanDerWaalsContact O-N 3.11Å; S407-K410 PolarHBondContact O-N 3.34Å; S408-K410 VanDerWaalsContact C-N 3.35Å; S408-K410 PolarHBondContact O-N 2.96Å; K410-I413 PolarHBondContact O-N 3.49Å
411A43Very low45.5Very low61 Ų61108.8 Ų108.850%0.50462%0.619SS.*Hα-helixtrans-66.3-35.9175.500000112.3S407 S408 I413 G414S407-A411 WeakPolarHBondContact O-CB 3.42Å; S407-A411 PolarHBondContact O-N 3.28Å; S408-A411 PolarHBondContact O-N 3.19Å; A411-I413 VanDerWaalsContact C-N 3.32Å; A411-I413 PolarHBondContact O-N 3.27Å; A411-G414 PolarHBondContact O-N 3.23Å
412N40.5Very low44.6Very low116 Ų116110.1 Ų110.162%0.6263%0.629SS**Hα-helixtrans-74.7-16.3177.7-79.4-17.5000114.5S408S408-N412 PolarHBondContact O-N 3.35Å
413I44.3Very low44.2Very low131 Ų131110.2 Ų110.267%0.67263%0.633SS**Hα-helixtrans-84.3-19.1174.7-63.6163.2000111.1C409 K410 A411C409-I413 WeakPolarHBondContact O-CD1 3.49Å; C409-I413 VanDerWaalsContact O-CG1 3.29Å; C409-I413 WeakPolarHBondContact O-CG1 3.47Å; C409-I413 PolarHBondContact O-N 3.15Å; K410-I413 PolarHBondContact O-N 3.49Å; A411-I413 VanDerWaalsContact C-N 3.32Å; A411-I413 PolarHBondContact O-N 3.27Å
414G38.9Very low43.3Very low55 Ų55111.6 Ų111.657%0.56765%0.649SS**THydrogen-bonded Turntrans-87.53177.900000115.9A411A411-G414 PolarHBondContact O-N 3.23Å
415V39.9Very low42.6Very low123 Ų123108.8 Ų108.875%0.74565%0.649SS**THydrogen-bonded Turntrans-110.25.2178.5-171.20000111.8
416M39.1Very low42.3Very low177 Ų177107.9 Ų107.987%0.87266%0.656SS**  trans-119.867.6167.5-67.9-172.386.700109.9
417S34.8Very low41.7Very low177 Ų177110.6 Ų110.6100%1.23867%0.672SS**  trans-1500160.660.80000110

Retrieved 417 of 417 residues in 498.1 ms (Link to these results)

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