A0A089G7F7_HUMAN Loading...

C-C chemokine receptor type 5

Receptor for a number of inflammatory CC-chemokines including CCL3/MIP-1-alpha, CCL4/MIP-1-beta and RANTES and subsequently transduces a signal by increasing the intracellular calcium ion level. May play a role in the control of granulocytic lineage proliferation or differentiation. Participates in T-lymphocyte migration to the infection site by acting as a chemotactic receptor.

AlphaFold DB , UniProt , Accession A0A089G7F7, Species HUMAN (Homo sapiens, Human), Gene CCR5, Length 352 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
1M37.9Very low36.6Very low229 Ų229151.5 Ų151.5100%1.12878%0.779SS**  069.30-75.9-178.6179.300108.5
2D33.8Very low36.7Very low151 Ų151150.4 Ų150.481%0.80777%0.773SS**  trans39.794.9131.2-47.9-19.5000118.3Q4D2-Q4 PolarHBondContact O-N 3.13Å
3Y37.7Very low36.6Very low231 Ų231149.3 Ų149.391%0.90677%0.77SS**  trans-67.5109.2154.3-75.6-92000109.1V5Y3-V5 PolarHBondContact O-N 3.31Å
4Q34.3Very low36.6Very low180 Ų180151.6 Ų151.684%0.84177%0.766SS**  trans-84.192.2166.7-84.5175.6-46.900109.7D2D2-Q4 PolarHBondContact O-N 3.13Å
5V43.3Very low36.9Very low140 Ų140157.3 Ų157.385%0.84878%0.777SS**  trans-86.1101.9151.6177.50000106.1Y3Y3-V5 PolarHBondContact O-N 3.31Å
6S36.8Very low37.2Very low103 Ų103153.1 Ų153.172%0.7276%0.763SS**  trans-119.393.6174.264.30000110.5
7S37.6Very low37.7Very low81 Ų81150.8 Ų150.857%0.56677%0.765SS**  trans-160120.6147.9-174.20000108.6I9S7-I9 PolarHBondContact OG-N 3.45Å; S7-I9 VanDerWaalsContact OG-N 3.17Å
8P38.5Very low38.2Very low99 Ų99152.7 Ų152.764%0.64377%0.77SS**  trans-112.470.8148.335.5-22.3000106.9Y10P8-Y10 HydrophobicContact CB-CD2 4.38Å; P8-Y10 HydrophobicContact CB-CE2 4.05Å; P8-Y10 PolarHBondContact O-N 3.39Å; P8-Y10 VanDerWaalsContact O-N 3.15Å
9I35.1Very low39.4Very low133 Ų133150.7 Ų150.768%0.68277%0.769SS**  trans-66.7103.8143.9-65.1173.7000103.4S7 D11S7-I9 PolarHBondContact OG-N 3.45Å; S7-I9 VanDerWaalsContact OG-N 3.17Å; I9-D11 PolarHBondContact O-N 3.05Å
10Y35.4Very low40.7Very low196 Ų196145.3 Ų145.377%0.76975%0.745SS**  trans-63.889.6170.2-72.2-88.8000107.1P8 I12P8-Y10 HydrophobicContact CB-CD2 4.38Å; P8-Y10 HydrophobicContact CB-CE2 4.05Å; P8-Y10 PolarHBondContact O-N 3.39Å; P8-Y10 VanDerWaalsContact O-N 3.15Å; Y10-I12 VanDerWaalsContact C-N 3.26Å; Y10-I12 PolarHBondContact O-N 3.26Å
11D31.8Very low41.6Very low123 Ų123145.9 Ų145.966%0.65874%0.744SS**  trans-61.699.2159.1-86.2-28.5000106I9 N13I9-D11 PolarHBondContact O-N 3.05Å; D11-N13 PolarHBondContact O-N 3.45Å
12I38.2Very low42.9Very low139 Ų139138.8 Ų138.871%0.71371%0.707SS**  trans-67.282.9162.6-56.6178.3000105.3Y10 Y14Y10-I12 VanDerWaalsContact C-N 3.26Å; Y10-I12 PolarHBondContact O-N 3.26Å; I12-Y14 HydrophobicContact CG2-CD2 3.61Å; I12-Y14 HydrophobicContact CG2-CE2 3.92Å; I12-Y14 PolarHBondContact O-N 3.31Å
13N35.8Very low44.2Very low136 Ų136136 Ų13673%0.72769%0.691SS**  trans-67.281.2169.6-86.1-47.5000108.6D11D11-N13 PolarHBondContact O-N 3.45Å
14Y35.7Very low45.2Very low182 Ų182130.7 Ų130.771%0.71468%0.679SS**  trans-78.6113.9149.3-90.2-87.1000107.1I12 T16I12-Y14 HydrophobicContact CG2-CD2 3.61Å; I12-Y14 HydrophobicContact CG2-CE2 3.92Å; I12-Y14 PolarHBondContact O-N 3.31Å; Y14-T16 WeakPolarHBondContact CB-OG1 3.41Å; Y14-T16 HydrophobicContact CD1-CG2 4.46Å; Y14-T16 PolarHBondContact O-N 3.08Å
15Y41.1Very low46.7Very low237 Ų237123 Ų12393%0.92964%0.644SS**  trans-58.177.7157.3-107.3-95.9000108.7
16T41.9Very low47.7Very low90 Ų90123.7 Ų123.755%0.55264%0.636SS**SBendtrans-150.8118.1176.347.60000108.1Y14 E18Y14-T16 WeakPolarHBondContact CB-OG1 3.41Å; Y14-T16 HydrophobicContact CD1-CG2 4.46Å; Y14-T16 PolarHBondContact O-N 3.08Å; T16-E18 PolarHBondContact O-N 3.4Å
17S45.5Very low49.1Very low114 Ų114125.3 Ų125.380%0.79763%0.632SS**  trans-9.2109.4158.438.60000113.9
18E47.8Very low50.5Low184 Ų184127.3 Ų127.386%0.8664%0.635SS**  trans-48.9131.8173.4-70.3-177.2163.200109.8T16 C20T16-E18 PolarHBondContact O-N 3.4Å; E18-C20 PolarHBondContact O-N 3.01Å; E18-C20 VanDerWaalsContact O-N 3.09Å
19P60.1Low51.9Low115 Ų115123.1 Ų123.175%0.74761%0.608SS**  trans-59.8119.4175.521.7-29.7000109.3Q21P19-Q21 PolarHBondContact O-N 3.11Å
20C65.1Low53.5Low43 Ų43118.3 Ų118.329%0.29159%0.589SS.*  trans-51.4108.2-177.9-172.20000110.5E18 K22 C269E18-C20 PolarHBondContact O-N 3.01Å; E18-C20 VanDerWaalsContact O-N 3.09Å; C20-K22 PolarHBondContact O-N 3.33Å; C20-C269 HydrophobicContact CB-CB 4.05Å; C20-C269 WeakPolarHBondContact CB-SG 3.43Å; C20-C269 WeakPolarHBondContact SG-CB 3.25Å; C20-C269 PolarHBondContact SG-O 2.9Å; C20-C269 CovalentContact SG-SG 2.06Å; C20-C269 PolarHBondContact SG-SG 2.78Å
21Q60.6Low55.3Low157 Ų157111.6 Ų111.673%0.73458%0.579SS**  trans-75.1119.4-173.8-71-163.6-1600111.8P19 I23P19-Q21 PolarHBondContact O-N 3.11Å; Q21-I23 HydrophobicContact CB-CD1 4.36Å; Q21-I23 HydrophobicContact CB-CG1 4.41Å
22K65.3Low57.5Low80 Ų80111.3 Ų111.335%0.34858%0.577SS.*  trans-105.434-175.4-56.6-178.8-169.1176.50114C20 N24 V25 D276C20-K22 PolarHBondContact O-N 3.33Å; K22-N24 PolarHBondContact O-N 2.92Å; K22-V25 PolarHBondContact O-N 3.39Å; K22-D276 WeakPolarHBondContact CE-OD2 3.23Å; K22-D276 VanDerWaalsContact NZ-CG 3.29Å; K22-D276 IonicContact NZ-OD1 3.27Å; K22-D276 IonicContact NZ-OD2 3.9Å; K22-D276 PolarHBondContact NZ-OD2 2.83Å
23I60.2Low59.4Low92 Ų92105.2 Ų105.247%0.47255%0.546SS..Hα-helixtrans-63.4-44-165.6-60.3170.6000112.8Q21 V25Q21-I23 HydrophobicContact CB-CD1 4.36Å; Q21-I23 HydrophobicContact CB-CG1 4.41Å; I23-V25 VanDerWaalsContact C-N 3.31Å; I23-V25 PolarHBondContact O-N 2.83Å
24N60.3Low61.6Low120 Ų12099.9 Ų99.964%0.64252%0.519SS*.Hα-helixtrans-68-26.3-174.9-68-10.7000114.1K22K22-N24 PolarHBondContact O-N 2.92Å
25V64.3Low64Low19 Ų1995 Ų9512%0.11551%0.509CS..Hα-helixtrans-75.9-42.7-176.3-176.10000111K22 I23 Q27 I28 A29 Q277K22-V25 PolarHBondContact O-N 3.39Å; I23-V25 VanDerWaalsContact C-N 3.31Å; I23-V25 PolarHBondContact O-N 2.83Å; V25-Q27 VanDerWaalsContact C-N 3.31Å; V25-Q27 PolarHBondContact O-N 3.16Å; V25-I28 PolarHBondContact O-N 3.46Å; V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 3.01Å; V25-Q277 HydrophobicContact CB-CG 4.25Å; V25-Q277 HydrophobicContact CG1-CG 3.77Å; V25-Q277 HydrophobicContact CG2-CG 3.4Å
26K64.7Low66.1Low155 Ų15586.3 Ų86.367%0.67448%0.478SS*.Hα-helixtrans-62.1-38.3-179-70.1-171.9175.6-173.50112.1A30K26-A30 VanDerWaalsContact O-CB 3.25Å; K26-A30 WeakPolarHBondContact O-CB 3.5Å; K26-A30 PolarHBondContact O-N 3.46Å
27Q67.1Low68.3Low136 Ų13682.6 Ų82.664%0.63646%0.455SS*.Hα-helixtrans-70.1-44.3-178.8-71.6178.6-19.400113V25 A30 G31V25-Q27 VanDerWaalsContact C-N 3.31Å; V25-Q27 PolarHBondContact O-N 3.16Å; Q27-A30 PolarHBondContact O-N 3.23Å; Q27-G31 PolarHBondContact O-N 3.09Å
28I66.4Low70.3Confident124 Ų12479.8 Ų79.864%0.63644%0.435SS*.Hα-helixtrans-65.6-43.2177-63.9172.4000110.3V25 A30 G31 L32V25-I28 PolarHBondContact O-N 3.46Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 3.34Å; I28-G31 PolarHBondContact O-N 2.84Å; I28-L32 PolarHBondContact O-N 3.45Å; I28-L32 VanDerWaalsContact O-N 3.15Å
29A68.6Low72.3Confident10 Ų1075.5 Ų75.58%0.08342%0.417CS..Hα-helixtrans-59.2-43.8175.600000112.1V25 G31 L32 L33 Q280V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 3.01Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 2.84Å; A29-L32 PolarHBondContact O-N 3.09Å; A29-L33 HydrophobicContact CB-CD1 3.63Å; A29-L33 HydrophobicContact CB-CG 4.46Å; A29-L33 WeakPolarHBondContact O-CB 3.47Å; A29-L33 WeakPolarHBondContact O-CD1 3.44Å; A29-L33 WeakPolarHBondContact O-CG 3.28Å; A29-L33 PolarHBondContact O-N 2.83Å; A29-Q280 VanDerWaalsContact CB-NE2 3.33Å
30A68.3Low73.8Confident33 Ų3370.3 Ų70.327%0.27338%0.383SS..Hα-helixtrans-64.9-28.117900000113.6K26 Q27 I28 P34K26-A30 VanDerWaalsContact O-CB 3.25Å; K26-A30 WeakPolarHBondContact O-CB 3.5Å; K26-A30 PolarHBondContact O-N 3.46Å; Q27-A30 PolarHBondContact O-N 3.23Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 3.34Å; A30-P34 WeakPolarHBondContact O-CD 3.47Å; A30-P34 VanDerWaalsContact O-CG 3.26Å; A30-P34 WeakPolarHBondContact O-CG 3.48Å
31G72.4Confident75.1Confident55 Ų5571.2 Ų71.257%0.56738%0.382SS*.Hα-helixtrans-80-39.7175.200000114Q27 I28 A29 P35Q27-G31 PolarHBondContact O-N 3.09Å; I28-G31 PolarHBondContact O-N 2.84Å; A29-G31 VanDerWaalsContact C-N 3.29Å; A29-G31 PolarHBondContact O-N 2.84Å; G31-P35 WeakPolarHBondContact O-CD 3.15Å
32L77.9Confident76.6Confident116 Ų11668.6 Ų68.661%0.60737%0.372SS*.Hα-helixtrans-92.6-36.1-171.4-175.664.7000114.1I28 A29 P35 L36I28-L32 PolarHBondContact O-N 3.45Å; I28-L32 VanDerWaalsContact O-N 3.15Å; A29-L32 PolarHBondContact O-N 3.09Å; L32-P35 WeakPolarHBondContact O-CD 3.43Å; L32-P35 WeakPolarHBondContact O-CG 3.34Å; L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 PolarHBondContact O-N 3.17Å
33L78.6Confident77.8Confident11 Ų1170.8 Ų70.86%0.05838%0.382CS..Hα-helixtrans-66.9-45-174.2-67.8164.1000113.1A29 L36 Y37 P90 Q280 T284A29-L33 HydrophobicContact CB-CD1 3.63Å; A29-L33 HydrophobicContact CB-CG 4.46Å; A29-L33 WeakPolarHBondContact O-CB 3.47Å; A29-L33 WeakPolarHBondContact O-CD1 3.44Å; A29-L33 WeakPolarHBondContact O-CG 3.28Å; A29-L33 PolarHBondContact O-N 2.83Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-Y37 HydrophobicContact CB-CE2 4.49Å; L33-Y37 HydrophobicContact CD2-CE1 4.07Å; L33-Y37 HydrophobicContact CD2-CE2 4.21Å; L33-Y37 WeakPolarHBondContact O-CB 3.42Å; L33-Y37 PolarHBondContact O-N 3.12Å; L33-P90 HydrophobicContact CD1-CG 4.19Å; L33-Q280 HydrophobicContact CD1-CG 4.48Å; L33-T284 HydrophobicContact CD2-CG2 3.68Å; L33-T284 WeakPolarHBondContact CD2-OG1 3.36Å
34P82.3Confident79.4Confident25 Ų2566.4 Ų66.416%0.16236%0.36CS..Hα-helixtrans-57.4-51.2-178.2-27.337.7000115.5A30 L36 S38 V87A30-P34 WeakPolarHBondContact O-CD 3.47Å; A30-P34 VanDerWaalsContact O-CG 3.26Å; A30-P34 WeakPolarHBondContact O-CG 3.48Å; P34-L36 VanDerWaalsContact C-N 3.34Å; P34-L36 PolarHBondContact O-N 2.86Å; P34-S38 WeakPolarHBondContact O-CB 3.27Å; P34-S38 PolarHBondContact O-N 3.1Å; P34-S38 PolarHBondContact O-OG 2.87Å; P34-V87 HydrophobicContact CB-CG1 3.61Å; P34-V87 HydrophobicContact CG-CG1 4.2Å
35P85.2Confident81.1Confident78 Ų7864.5 Ų64.551%0.50635%0.346SS..Hα-helixtrans-66.2-37.9178.825.8-33.9000111.8G31 L32 S38 L39G31-P35 WeakPolarHBondContact O-CD 3.15Å; L32-P35 WeakPolarHBondContact O-CD 3.43Å; L32-P35 WeakPolarHBondContact O-CG 3.34Å; P35-S38 PolarHBondContact O-N 3.26Å; P35-L39 WeakPolarHBondContact O-CB 3.34Å; P35-L39 PolarHBondContact O-N 2.91Å
36L86.3Confident82.4Confident55 Ų5567.3 Ų67.329%0.28836%0.363SS..Hα-helixtrans-64.3-50.2179.6178.962.8000111.9L32 L33 P34 S38 L39 V40 T284L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 PolarHBondContact O-N 3.17Å; L33-L36 PolarHBondContact O-N 3.3Å; P34-L36 VanDerWaalsContact C-N 3.34Å; P34-L36 PolarHBondContact O-N 2.86Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.38Å; L36-L39 VanDerWaalsContact O-CB 3.32Å; L36-L39 WeakPolarHBondContact O-CB 3.22Å; L36-L39 PolarHBondContact O-N 3.4Å; L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 3.3Å; L36-T284 HydrophobicContact CD2-CG2 3.48Å; L36-T284 VanDerWaalsContact CD2-CG2 3.48Å
37Y86.7Confident83.8Confident13 Ų1360.5 Ų60.55%0.05134%0.337CS..Hα-helixtrans-66.9-33178.6-77.4-0.5000112.6L33 L39 V40 F41 V83 V87 T284 M287L33-Y37 HydrophobicContact CB-CE2 4.49Å; L33-Y37 HydrophobicContact CD2-CE1 4.07Å; L33-Y37 HydrophobicContact CD2-CE2 4.21Å; L33-Y37 WeakPolarHBondContact O-CB 3.42Å; L33-Y37 PolarHBondContact O-N 3.12Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; Y37-V40 PolarHBondContact O-N 3.08Å; Y37-F41 WeakPolarHBondContact O-CB 3.21Å; Y37-F41 PolarHBondContact O-N 3.32Å; Y37-V83 HydrophobicContact CD2-CG1 4.42Å; Y37-V83 HydrophobicContact CG-CG1 4Å; Y37-V83 WeakPolarHBondContact O-CG1 3.18Å; Y37-V87 HydrophobicContact CD2-CG2 3.73Å; Y37-V87 HydrophobicContact CG-CG2 3.96Å; Y37-T284 HydrophobicContact CE1-CG2 3.73Å; Y37-T284 PolarHBondContact OH-OG1 3.09Å; Y37-M287 HydrophobicContact CE1-CB 4.25Å; Y37-M287 HydrophobicContact CE1-SD 3.84Å; Y37-M287 HydrophobicContact CE2-SD 3.89Å; Y37-M287 PolarHBondContact OH-SD 3.38Å
38S87.8Confident85.1Confident54 Ų5454 Ų5438%0.37831%0.307SS..Hα-helixtrans-61.4-43.7171.1-60.10000111.2P34 P35 L36 F41 I42P34-S38 WeakPolarHBondContact O-CB 3.27Å; P34-S38 PolarHBondContact O-N 3.1Å; P34-S38 PolarHBondContact O-OG 2.87Å; P35-S38 PolarHBondContact O-N 3.26Å; L36-S38 VanDerWaalsContact C-N 3.32Å; L36-S38 PolarHBondContact O-N 3.38Å; S38-F41 PolarHBondContact O-N 3.14Å; S38-I42 VanDerWaalsContact O-CG1 3.3Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 3.46Å
39L90.1Very high86.4Confident95 Ų9551.2 Ų51.250%0.49729%0.291SS..Hα-helixtrans-63-45.6175.5-163.999.8000111.8P35 L36 Y37 F41 I42 F43P35-L39 WeakPolarHBondContact O-CB 3.34Å; P35-L39 PolarHBondContact O-N 2.91Å; L36-L39 VanDerWaalsContact O-CB 3.32Å; L36-L39 WeakPolarHBondContact O-CB 3.22Å; L36-L39 PolarHBondContact O-N 3.4Å; Y37-L39 VanDerWaalsContact C-N 3.33Å; L39-F41 VanDerWaalsContact C-N 3.33Å; L39-F41 PolarHBondContact O-N 2.7Å; L39-I42 PolarHBondContact O-N 2.86Å; L39-F43 HydrophobicContact CD1-CD2 4.27Å; L39-F43 HydrophobicContact CD1-CE2 3.64Å; L39-F43 HydrophobicContact CD2-CD2 3.97Å; L39-F43 HydrophobicContact CD2-CE2 3.85Å; L39-F43 HydrophobicContact CG-CD2 3.62Å; L39-F43 HydrophobicContact CG-CE2 3.48Å; L39-F43 VanDerWaalsContact CG-CE2 3.48Å; L39-F43 WeakPolarHBondContact O-CD2 3.43Å; L39-F43 PolarHBondContact O-N 3.43Å
40V91.5Very high87.5Confident5 Ų552 Ų523%0.0329%0.294CS..Hα-helixtrans-60-44176171.10000110.7L36 Y37 G44 L80 T288L36-V40 WeakPolarHBondContact O-CG2 3.35Å; L36-V40 PolarHBondContact O-N 3.3Å; Y37-V40 PolarHBondContact O-N 3.08Å; V40-G44 VanDerWaalsContact O-CA 3.28Å; V40-G44 WeakPolarHBondContact O-CA 3.49Å; V40-G44 PolarHBondContact O-N 3.49Å; V40-L80 HydrophobicContact CG1-CD2 4.32Å; V40-T288 HydrophobicContact CG2-CG2 3.68Å
41F91.8Very high88.6Confident63 Ų6350.6 Ų50.628%0.27628%0.282SS..Hα-helixtrans-61.5-50177.9-179.6-102.3000111.6Y37 S38 L39 F45 L80 V83 P84Y37-F41 WeakPolarHBondContact O-CB 3.21Å; Y37-F41 PolarHBondContact O-N 3.32Å; S38-F41 PolarHBondContact O-N 3.14Å; L39-F41 VanDerWaalsContact C-N 3.33Å; L39-F41 PolarHBondContact O-N 2.7Å; F41-F45 HydrophobicContact CZ-CD2 4.48Å; F41-F45 WeakPolarHBondContact O-CB 3.33Å; F41-F45 PolarHBondContact O-N 3.17Å; F41-L80 WeakPolarHBondContact CD2-O 3.41Å; F41-V83 HydrophobicContact CB-CG1 4.34Å; F41-P84 HydrophobicContact CD1-CG 4.42Å; F41-P84 HydrophobicContact CD2-CG 3.56Å; F41-P84 HydrophobicContact CE1-CG 4.48Å; F41-P84 HydrophobicContact CE2-CG 3.62Å; F41-P84 HydrophobicContact CG-CG 3.98Å; F41-P84 HydrophobicContact CZ-CG 4.09Å
42I92.3Very high89.5Confident102 Ų10250.8 Ų50.852%0.52327%0.268SS..Hα-helixtrans-62.2-54.4-178.5-67165.7000111S38 L39 V46S38-I42 VanDerWaalsContact O-CG1 3.3Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 3.46Å; L39-I42 PolarHBondContact O-N 2.86Å; I42-V46 WeakPolarHBondContact O-CB 3.31Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.31Å; I42-V46 PolarHBondContact O-N 2.96Å; I42-V46 VanDerWaalsContact O-N 3.1Å
43F92.2Very high90.1Very high126 Ų12648.6 Ų48.655%0.55326%0.256SS*.Hα-helixtrans-68.8-39.2-178-72.3-53.2000112.4L39 G47 C291L39-F43 HydrophobicContact CD1-CD2 4.27Å; L39-F43 HydrophobicContact CD1-CE2 3.64Å; L39-F43 HydrophobicContact CD2-CD2 3.97Å; L39-F43 HydrophobicContact CD2-CE2 3.85Å; L39-F43 HydrophobicContact CG-CD2 3.62Å; L39-F43 HydrophobicContact CG-CE2 3.48Å; L39-F43 VanDerWaalsContact CG-CE2 3.48Å; L39-F43 WeakPolarHBondContact O-CD2 3.43Å; L39-F43 PolarHBondContact O-N 3.43Å; F43-G47 WeakPolarHBondContact O-CA 3.16Å; F43-G47 PolarHBondContact O-N 3.07Å; F43-C291 HydrophobicContact CB-CB 4.49Å
44G93.6Very high90.5Very high0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-63.6-47.9177.200000111.7V40 N48 L80V40-G44 VanDerWaalsContact O-CA 3.28Å; V40-G44 WeakPolarHBondContact O-CA 3.49Å; V40-G44 PolarHBondContact O-N 3.49Å; G44-N48 VanDerWaalsContact O-CB 3.26Å; G44-N48 WeakPolarHBondContact O-CB 3.35Å; G44-N48 PolarHBondContact O-N 2.89Å; G44-N48 PolarHBondContact O-ND2 3.38Å; G44-L80 WeakPolarHBondContact O-CD1 3.31Å
45F94.3Very high90.7Very high79 Ų7947.9 Ų47.935%0.34625%0.25SS..Hα-helixtrans-65.2-51.5-178.4-172.6-91.8000111.2F41 G47 M49 L77F41-F45 HydrophobicContact CZ-CD2 4.48Å; F41-F45 WeakPolarHBondContact O-CB 3.33Å; F41-F45 PolarHBondContact O-N 3.17Å; F45-G47 PolarHBondContact O-N 2.77Å; F45-M49 HydrophobicContact CD1-CG 4.24Å; F45-M49 HydrophobicContact CE1-CE 4.33Å; F45-M49 HydrophobicContact CE1-CG 4.01Å; F45-M49 HydrophobicContact CE2-CE 3.7Å; F45-M49 HydrophobicContact CZ-CE 3.6Å; F45-M49 HydrophobicContact CZ-CG 4.2Å; F45-M49 VanDerWaalsContact O-CB 3.27Å; F45-M49 WeakPolarHBondContact O-CB 3.48Å; F45-M49 WeakPolarHBondContact O-CG 3.23Å; F45-M49 PolarHBondContact O-N 3.32Å; F45-L77 HydrophobicContact CD2-CD2 3.76Å; F45-L77 HydrophobicContact CE2-CD2 4.1Å; F45-L77 HydrophobicContact CG-CD2 4.47Å
46V93.3Very high90.8Very high79 Ų7947.3 Ų47.348%0.47924%0.242SC..Hα-helixtrans-62.3-46.3179.3175.80000110.8I42 L50I42-V46 WeakPolarHBondContact O-CB 3.31Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.31Å; I42-V46 PolarHBondContact O-N 2.96Å; I42-V46 VanDerWaalsContact O-N 3.1Å; V46-L50 HydrophobicContact CG1-CD1 4Å; V46-L50 HydrophobicContact CG1-CG 4.48Å; V46-L50 WeakPolarHBondContact O-CB 3.4Å; V46-L50 VanDerWaalsContact O-CG 3.27Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.38Å
47G92.8Very high90.6Very high12 Ų1249.2 Ų49.212%0.12425%0.253CS..Hα-helixtrans-61.8-50.5-179.300000112.7F43 F45 L50 V51F43-G47 WeakPolarHBondContact O-CA 3.16Å; F43-G47 PolarHBondContact O-N 3.07Å; F45-G47 PolarHBondContact O-N 2.77Å; G47-L50 PolarHBondContact O-N 2.89Å; G47-V51 WeakPolarHBondContact O-CG2 3.45Å; G47-V51 PolarHBondContact O-N 3.03Å
48N94.9Very high90.3Very high0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-68-36.3-179-75-62000112.1G44 V51 F52 P73 D76 L77 C290G44-N48 VanDerWaalsContact O-CB 3.26Å; G44-N48 WeakPolarHBondContact O-CB 3.35Å; G44-N48 PolarHBondContact O-N 2.89Å; G44-N48 PolarHBondContact O-ND2 3.38Å; N48-V51 PolarHBondContact O-N 3.2Å; N48-F52 WeakPolarHBondContact O-CB 3.49Å; N48-F52 PolarHBondContact O-N 3.38Å; N48-P73 HydrophobicContact CB-CB 3.9Å; N48-D76 PolarHBondContact OD1-OD2 2.92Å; N48-L77 HydrophobicContact CB-CD2 4.2Å; N48-L77 HydrophobicContact CB-CG 4.11Å; N48-C290 PolarHBondContact ND2-O 2.78Å
49M93.8Very high89.8Confident64 Ų6451.6 Ų51.632%0.31526%0.264SS..Hα-helixtrans-63-41.9172.5-74.6-62.9-179.800112.2F45 V51 F52 L53 L77F45-M49 HydrophobicContact CD1-CG 4.24Å; F45-M49 HydrophobicContact CE1-CE 4.33Å; F45-M49 HydrophobicContact CE1-CG 4.01Å; F45-M49 HydrophobicContact CE2-CE 3.7Å; F45-M49 HydrophobicContact CZ-CE 3.6Å; F45-M49 HydrophobicContact CZ-CG 4.2Å; F45-M49 VanDerWaalsContact O-CB 3.27Å; F45-M49 WeakPolarHBondContact O-CB 3.48Å; F45-M49 WeakPolarHBondContact O-CG 3.23Å; F45-M49 PolarHBondContact O-N 3.32Å; M49-V51 PolarHBondContact O-N 2.93Å; M49-F52 PolarHBondContact O-N 3.28Å; M49-L53 WeakPolarHBondContact O-CB 3.21Å; M49-L53 VanDerWaalsContact O-CG 3.27Å; M49-L53 WeakPolarHBondContact O-CG 3.42Å; M49-L53 PolarHBondContact O-N 3.49Å; M49-L77 HydrophobicContact CE-CD1 3.57Å; M49-L77 HydrophobicContact CE-CD2 3.81Å; M49-L77 HydrophobicContact CE-CG 4.33Å; M49-L77 HydrophobicContact CG-CD2 4.32Å; M49-L77 HydrophobicContact SD-CD1 3.86Å
50L91.4Very high89.3Confident27 Ų2755.8 Ų55.814%0.14127%0.273CS..Hα-helixtrans-62.9-41.3175.5-74.4171.9000112.2V46 G47 F54 L308 F311V46-L50 HydrophobicContact CG1-CD1 4Å; V46-L50 HydrophobicContact CG1-CG 4.48Å; V46-L50 WeakPolarHBondContact O-CB 3.4Å; V46-L50 VanDerWaalsContact O-CG 3.27Å; V46-L50 WeakPolarHBondContact O-CG 3.4Å; V46-L50 PolarHBondContact O-N 3.38Å; G47-L50 PolarHBondContact O-N 2.89Å; L50-F54 VanDerWaalsContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 PolarHBondContact O-N 3.13Å; L50-L308 HydrophobicContact CD1-CD2 4.21Å; L50-F311 HydrophobicContact CD2-CD1 4.01Å; L50-F311 HydrophobicContact CD2-CE1 3.58Å; L50-F311 HydrophobicContact CD2-CZ 3.86Å
51V91.4Very high89Confident4 Ų457.8 Ų57.82%0.02428%0.283CS..Hα-helixtrans-63.4-46175.6174.80000110.7G47 N48 M49 F54 L55 P73 P294 Y297 F304G47-V51 WeakPolarHBondContact O-CG2 3.45Å; G47-V51 PolarHBondContact O-N 3.03Å; N48-V51 PolarHBondContact O-N 3.2Å; M49-V51 PolarHBondContact O-N 2.93Å; V51-F54 WeakPolarHBondContact O-CB 3.39Å; V51-F54 PolarHBondContact O-N 3.48Å; V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.47Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.49Å; V51-L55 PolarHBondContact O-N 3.27Å; V51-P73 HydrophobicContact CG1-CB 4.48Å; V51-P73 HydrophobicContact CG1-CG 4.15Å; V51-P294 HydrophobicContact CG2-CB 3.97Å; V51-P294 HydrophobicContact CG2-CG 4.18Å; V51-Y297 HydrophobicContact CG1-CD2 3.91Å; V51-Y297 HydrophobicContact CG1-CE2 3.99Å; V51-Y297 HydrophobicContact CG2-CD2 3.78Å; V51-Y297 HydrophobicContact CG2-CE2 4.46Å; V51-F304 HydrophobicContact CG2-CE1 4.16Å; V51-F304 HydrophobicContact CG2-CE2 3.95Å; V51-F304 HydrophobicContact CG2-CZ 3.54Å
52F92.3Very high88.5Confident59 Ų5962.3 Ų62.326%0.25930%0.303SS..Hα-helixtrans-57.9-50.4176.9179.5-94.9000111.7N48 M49 F54 L55 I56 L70 P73 I74N48-F52 WeakPolarHBondContact O-CB 3.49Å; N48-F52 PolarHBondContact O-N 3.38Å; M49-F52 PolarHBondContact O-N 3.28Å; F52-F54 PolarHBondContact O-N 2.7Å; F52-L55 PolarHBondContact O-N 2.66Å; F52-I56 HydrophobicContact CD1-CD1 3.94Å; F52-I56 HydrophobicContact CD2-CD1 4.38Å; F52-I56 HydrophobicContact CE1-CD1 3.35Å; F52-I56 HydrophobicContact CE2-CD1 3.84Å; F52-I56 HydrophobicContact CG-CD1 4.43Å; F52-I56 HydrophobicContact CZ-CD1 3.3Å; F52-I56 PolarHBondContact O-N 3.46Å; F52-I56 VanDerWaalsContact O-N 3.13Å; F52-L70 HydrophobicContact CD2-CD1 3.51Å; F52-L70 HydrophobicContact CD2-CG 4.21Å; F52-L70 HydrophobicContact CE2-CD1 3.81Å; F52-L70 HydrophobicContact CE2-CG 4.24Å; F52-L70 HydrophobicContact CG-CD1 4.24Å; F52-P73 HydrophobicContact CB-CG 4.48Å; F52-I74 HydrophobicContact CD2-CD1 4.42Å; F52-I74 HydrophobicContact CD2-CG1 4.01Å; F52-I74 HydrophobicContact CE2-CD1 3.93Å; F52-I74 HydrophobicContact CE2-CG1 3.92Å
53L89Confident88.2Confident70 Ų7059.3 Ų59.337%0.36629%0.291SS..Hα-helixtrans-62.5-40.3177.9-71172.4000112.4M49 N57M49-L53 WeakPolarHBondContact O-CB 3.21Å; M49-L53 VanDerWaalsContact O-CG 3.27Å; M49-L53 WeakPolarHBondContact O-CG 3.42Å; M49-L53 PolarHBondContact O-N 3.49Å; L53-N57 VanDerWaalsContact O-CB 3.23Å; L53-N57 WeakPolarHBondContact O-CB 3.3Å; L53-N57 PolarHBondContact O-N 3.04Å; L53-N57 PolarHBondContact O-ND2 3.11Å; L53-N57 VanDerWaalsContact O-ND2 3.16Å
54F87.8Confident88.1Confident16 Ų1654.2 Ų54.27%0.0727%0.269CS..Hα-helixtrans-59.6-46.3175.2166.6-114.1000112L50 V51 F52 C58 K59 K303 F304 Y307L50-F54 VanDerWaalsContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 PolarHBondContact O-N 3.13Å; V51-F54 WeakPolarHBondContact O-CB 3.39Å; V51-F54 PolarHBondContact O-N 3.48Å; F52-F54 PolarHBondContact O-N 2.7Å; F54-C58 HydrophobicContact CD2-CB 3.71Å; F54-C58 HydrophobicContact CE2-CB 3.85Å; F54-C58 WeakPolarHBondContact O-CA 3.25Å; F54-C58 VanDerWaalsContact O-CB 3.3Å; F54-C58 WeakPolarHBondContact O-CB 3.46Å; F54-C58 PolarHBondContact O-N 3Å; F54-K59 HydrophobicContact CD1-CG 4.45Å; F54-K59 HydrophobicContact CE1-CD 4.45Å; F54-K59 HydrophobicContact CE1-CG 3.83Å; F54-K59 HydrophobicContact CE2-CG 4.37Å; F54-K59 HydrophobicContact CZ-CD 4.06Å; F54-K59 HydrophobicContact CZ-CG 3.8Å; F54-K59 PolarHBondContact O-N 3.11Å; F54-K303 HydrophobicContact CZ-CB 4.29Å; F54-F304 HydrophobicContact CB-CD2 3.95Å; F54-F304 HydrophobicContact CB-CE2 3.93Å; F54-F304 HydrophobicContact CD1-CB 4.37Å; F54-F304 AromaticContact CD1-CD2 3.43Å; F54-F304 HydrophobicContact CD1-CD2 3.43Å; F54-F304 VanDerWaalsContact CD1-CD2 3.43Å; F54-F304 HydrophobicContact CD1-CE2 4.17Å; F54-F304 HydrophobicContact CD1-CG 4.31Å; F54-F304 HydrophobicContact CD2-CD2 4.23Å; F54-F304 HydrophobicContact CE1-CB 3.93Å; F54-F304 AromaticContact CE1-CD2 3.88Å; F54-F304 HydrophobicContact CE1-CD2 3.88Å; F54-F304 HydrophobicContact CE1-CG 4.36Å; F54-F304 AromaticContact CG-CD2 3.6Å; F54-F304 HydrophobicContact CG-CD2 3.6Å; F54-F304 HydrophobicContact CG-CE2 4.12Å; F54-F304 HydrophobicContact CZ-CB 4.18Å; F54-F304 HydrophobicContact CZ-CD2 4.44Å; F54-Y307 HydrophobicContact CB-CD1 3.63Å; F54-Y307 HydrophobicContact CB-CE1 3.55Å; F54-Y307 HydrophobicContact CB-CG 4.36Å; F54-Y307 VanDerWaalsContact CD2-CB 3.43Å; F54-Y307 AromaticContact CD2-CD1 3.39Å; F54-Y307 HydrophobicContact CD2-CD1 3.39Å; F54-Y307 AromaticContact CD2-CD2 3.82Å; F54-Y307 HydrophobicContact CD2-CD2 3.82Å; F54-Y307 HydrophobicContact CD2-CE1 4.02Å; F54-Y307 HydrophobicContact CD2-CE2 4.4Å; F54-Y307 AromaticContact CD2-CG 3.24Å; F54-Y307 HydrophobicContact CD2-CG 3.24Å; F54-Y307 VanDerWaalsContact CE2-CB 3.46Å; F54-Y307 HydrophobicContact CE2-CD1 4.31Å; F54-Y307 HydrophobicContact CE2-CD2 4.41Å; F54-Y307 AromaticContact CE2-CG 3.83Å; F54-Y307 HydrophobicContact CE2-CG 3.83Å; F54-Y307 AromaticContact CG-CD1 3.82Å; F54-Y307 HydrophobicContact CG-CD1 3.82Å; F54-Y307 HydrophobicContact CG-CE1 4.22Å; F54-Y307 HydrophobicContact CG-CG 4.14Å
55L87.1Confident87.9Confident5 Ų554.9 Ų54.93%0.02627%0.273CS..Iπ-helixtrans-65.9-40.9-176.6-72.5170.9000111.8V51 F52 K59 R60 L61 L69 L70V51-L55 HydrophobicContact CG1-CD1 3.94Å; V51-L55 HydrophobicContact CG1-CG 4.47Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.49Å; V51-L55 PolarHBondContact O-N 3.27Å; F52-L55 PolarHBondContact O-N 2.66Å; L55-K59 HydrophobicContact CD2-CB 4.4Å; L55-K59 HydrophobicContact CD2-CG 4.15Å; L55-K59 WeakPolarHBondContact O-CB 3.43Å; L55-K59 PolarHBondContact O-N 2.93Å; L55-R60 PolarHBondContact O-N 3.45Å; L55-L61 HydrophobicContact CB-CD2 4.19Å; L55-L69 HydrophobicContact CD1-CB 4.12Å; L55-L69 VanDerWaalsContact CD1-O 3.29Å; L55-L69 WeakPolarHBondContact CD1-O 3.38Å; L55-L69 HydrophobicContact CD2-CB 4.41Å; L55-L70 HydrophobicContact CB-CD1 3.81Å; L55-L70 HydrophobicContact CD1-CB 4.14Å; L55-L70 HydrophobicContact CD1-CD1 4.16Å
56I86.6Confident87.7Confident65 Ų6551.8 Ų51.833%0.33326%0.26SS..Iπ-helixtrans-71.8-54.1177.8-65.9178.4000111F52 R60 L70F52-I56 HydrophobicContact CD1-CD1 3.94Å; F52-I56 HydrophobicContact CD2-CD1 4.38Å; F52-I56 HydrophobicContact CE1-CD1 3.35Å; F52-I56 HydrophobicContact CE2-CD1 3.84Å; F52-I56 HydrophobicContact CG-CD1 4.43Å; F52-I56 HydrophobicContact CZ-CD1 3.3Å; F52-I56 PolarHBondContact O-N 3.46Å; F52-I56 VanDerWaalsContact O-N 3.13Å; I56-R60 WeakPolarHBondContact O-CA 3.38Å; I56-R60 PolarHBondContact O-N 3.41Å; I56-L70 HydrophobicContact CD1-CD1 4.24Å; I56-L70 HydrophobicContact CG1-CD1 3.85Å
57N82.6Confident87.7Confident96 Ų9648.6 Ų48.651%0.51324%0.24SC..Iπ-helixtrans-79.5-35.5-168.1-63.6-37.3000113.2L53L53-N57 VanDerWaalsContact O-CB 3.23Å; L53-N57 WeakPolarHBondContact O-CB 3.3Å; L53-N57 PolarHBondContact O-N 3.04Å; L53-N57 PolarHBondContact O-ND2 3.11Å; L53-N57 VanDerWaalsContact O-ND2 3.16Å
58C79.9Confident87.8Confident64 Ų6448.2 Ų48.243%0.43224%0.235SC..Iπ-helixtrans-105.1-43.4-173.8-640000113.4F54 Y307F54-C58 HydrophobicContact CD2-CB 3.71Å; F54-C58 HydrophobicContact CE2-CB 3.85Å; F54-C58 WeakPolarHBondContact O-CA 3.25Å; F54-C58 VanDerWaalsContact O-CB 3.3Å; F54-C58 WeakPolarHBondContact O-CB 3.46Å; F54-C58 PolarHBondContact O-N 3Å; C58-Y307 HydrophobicContact CB-CD2 4.28Å; C58-Y307 HydrophobicContact CB-CE2 4.48Å; C58-Y307 WeakPolarHBondContact SG-CD2 3.16Å; C58-Y307 WeakPolarHBondContact SG-CE2 3.21Å
59K77.8Confident87.6Confident52 Ų5249.2 Ų49.223%0.22624%0.24CC..Iπ-helixtrans-81.4-24.3178.9-67.2-63.5-136.9770113F54 L55 L61 D66F54-K59 HydrophobicContact CD1-CG 4.45Å; F54-K59 HydrophobicContact CE1-CD 4.45Å; F54-K59 HydrophobicContact CE1-CG 3.83Å; F54-K59 HydrophobicContact CE2-CG 4.37Å; F54-K59 HydrophobicContact CZ-CD 4.06Å; F54-K59 HydrophobicContact CZ-CG 3.8Å; F54-K59 PolarHBondContact O-N 3.11Å; L55-K59 HydrophobicContact CD2-CB 4.4Å; L55-K59 HydrophobicContact CD2-CG 4.15Å; L55-K59 WeakPolarHBondContact O-CB 3.43Å; L55-K59 PolarHBondContact O-N 2.93Å; K59-L61 PolarHBondContact O-N 3.08Å; K59-L61 VanDerWaalsContact O-N 3.12Å; K59-D66 IonicContact NZ-OD1 3.65Å; K59-D66 PolarHBondContact NZ-OD1 3.31Å
60R80.2Confident87.6Confident183 Ų18347.1 Ų47.169%0.69123%0.23SC*.THydrogen-bonded Turntrans52.129.3-179.3-56.2-173.5-178.4-179.30.6113.4L55 I56 K62L55-R60 PolarHBondContact O-N 3.45Å; I56-R60 WeakPolarHBondContact O-CA 3.38Å; I56-R60 PolarHBondContact O-N 3.41Å; R60-K62 HydrophobicContact CB-CG 4.39Å; R60-K62 PolarHBondContact O-N 3.48Å
61L83.8Confident87.8Confident48 Ų4846.6 Ų46.625%0.25123%0.228SC..THydrogen-bonded Turntrans46.440.9172.6-51.2175.3000115.1L55 K59 S63 D66 L70L55-L61 HydrophobicContact CB-CD2 4.19Å; K59-L61 PolarHBondContact O-N 3.08Å; K59-L61 VanDerWaalsContact O-N 3.12Å; L61-S63 PolarHBondContact O-N 3.36Å; L61-D66 HydrophobicContact CD2-CB 4.32Å; L61-L70 HydrophobicContact CD1-CD2 3.68Å; L61-L70 HydrophobicContact CD2-CB 4.06Å; L61-L70 HydrophobicContact CD2-CD1 4.32Å; L61-L70 HydrophobicContact CD2-CD2 3.94Å; L61-L70 HydrophobicContact CD2-CG 4.34Å; L61-L70 HydrophobicContact CG-CD2 4.47Å
62K82.1Confident87.9Confident158 Ų15846.5 Ų46.569%0.68723%0.227SC*.  trans-74.1-5.7-173-64.9-175.1178.6-1730114.7R60R60-K62 HydrophobicContact CB-CG 4.39Å; R60-K62 PolarHBondContact O-N 3.48Å
63S86.6Confident88Confident38 Ų3843.7 Ų43.727%0.26621%0.214SC..SBendtrans-138.3152.6-177.373.70000111.8L61 T65 D66 I67L61-S63 PolarHBondContact O-N 3.36Å; S63-T65 PolarHBondContact O-N 3.22Å; S63-D66 PolarHBondContact N-OD2 3Å; S63-D66 WeakPolarHBondContact O-CB 2.9Å; S63-D66 PolarHBondContact O-N 2.91Å; S63-D66 PolarHBondContact OG-N 3.4Å; S63-D66 PolarHBondContact OG-OD2 3.35Å; S63-I67 PolarHBondContact O-N 3Å
64M89.7Confident88.4Confident20 Ų2042.5 Ų42.510%0.09921%0.208CC..Hα-helixtrans-51.7-38.3174.3-175.7173.7-17600112.5I67 Y68 R140M64-I67 WeakPolarHBondContact O-CB 3.23Å; M64-I67 PolarHBondContact O-N 2.83Å; M64-Y68 HydrophobicContact CE-CE2 3.85Å; M64-Y68 WeakPolarHBondContact CE-OH 3.41Å; M64-Y68 HydrophobicContact CG-CD2 4.49Å; M64-Y68 HydrophobicContact CG-CE2 3.89Å; M64-Y68 PolarHBondContact O-N 2.91Å; M64-Y68 VanDerWaalsContact O-N 3.13Å; M64-R140 VanDerWaalsContact SD-CA 3.59Å; M64-R140 HydrophobicContact SD-CB 3.96Å; M64-R140 HydrophobicContact SD-CG 4.09Å
65T89.8Confident88.8Confident14 Ų1441.8 Ų41.89%0.08621%0.205CC..Hα-helixtrans-65.3-40.1176.3-410000112.5S63 I67 Y68 L69 L122 D125 R126 R140S63-T65 PolarHBondContact O-N 3.22Å; T65-I67 PolarHBondContact O-N 2.91Å; T65-Y68 PolarHBondContact O-N 3.42Å; T65-L69 HydrophobicContact CG2-CD1 4.2Å; T65-L69 HydrophobicContact CG2-CG 4.47Å; T65-L69 WeakPolarHBondContact O-CB 3.36Å; T65-L69 VanDerWaalsContact O-CG 3.25Å; T65-L69 WeakPolarHBondContact O-CG 3.23Å; T65-L69 PolarHBondContact O-N 3Å; T65-L122 HydrophobicContact CG2-CD2 3.73Å; T65-D125 PolarHBondContact OG1-OD2 3.1Å; T65-R126 PolarHBondContact OG1-NH2 3.3Å; T65-R140 PolarHBondContact OG1-NH2 2.84Å; T65-R140 VanDerWaalsContact OG1-NH2 3.13Å
66D89.6Confident89.2Confident13 Ų1342 Ų427%0.0721%0.206CC..Hα-helixtrans-65.5-30.2177-63.1-55.9000110.8K59 L61 S63 L70K59-D66 IonicContact NZ-OD1 3.65Å; K59-D66 PolarHBondContact NZ-OD1 3.31Å; L61-D66 HydrophobicContact CD2-CB 4.32Å; S63-D66 PolarHBondContact N-OD2 3Å; S63-D66 WeakPolarHBondContact O-CB 2.9Å; S63-D66 PolarHBondContact O-N 2.91Å; S63-D66 PolarHBondContact OG-N 3.4Å; S63-D66 PolarHBondContact OG-OD2 3.35Å; D66-L70 WeakPolarHBondContact O-CB 3.39Å; D66-L70 PolarHBondContact O-N 3.47Å
67I93.6Very high89.6Confident13 Ų1340 Ų407%0.06720%0.196CC..Hα-helixtrans-67.3-49173.6-58.3169.4000110.8S63 M64 T65 L69 L70 N71 V142 V146S63-I67 PolarHBondContact O-N 3Å; M64-I67 WeakPolarHBondContact O-CB 3.23Å; M64-I67 PolarHBondContact O-N 2.83Å; T65-I67 PolarHBondContact O-N 2.91Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.34Å; I67-L70 WeakPolarHBondContact O-CB 3.42Å; I67-L70 PolarHBondContact O-N 3.46Å; I67-L70 VanDerWaalsContact O-N 3.08Å; I67-N71 PolarHBondContact O-N 3.4Å; I67-N71 VanDerWaalsContact O-N 3.07Å; I67-N71 PolarHBondContact O-ND2 2.83Å; I67-V142 HydrophobicContact CD1-CB 4.2Å; I67-V142 HydrophobicContact CD1-CG1 3.75Å; I67-V142 VanDerWaalsContact CD1-O 3.25Å; I67-V142 WeakPolarHBondContact CD1-O 3.28Å; I67-V146 HydrophobicContact CD1-CG2 3.99Å
68Y93.8Very high90.2Very high4 Ų438.4 Ų38.42%0.01619%0.185CC..Hα-helixtrans-64.5-39.9177.9-62-25.5000112.2M64 T65 L70 N71 L72 F118 L121 L122 D125 T148M64-Y68 HydrophobicContact CE-CE2 3.85Å; M64-Y68 WeakPolarHBondContact CE-OH 3.41Å; M64-Y68 HydrophobicContact CG-CD2 4.49Å; M64-Y68 HydrophobicContact CG-CE2 3.89Å; M64-Y68 PolarHBondContact O-N 2.91Å; M64-Y68 VanDerWaalsContact O-N 3.13Å; T65-Y68 PolarHBondContact O-N 3.42Å; Y68-L70 PolarHBondContact O-N 3.06Å; Y68-N71 PolarHBondContact O-N 3Å; Y68-N71 VanDerWaalsContact O-N 3.17Å; Y68-L72 PolarHBondContact O-N 3.41Å; Y68-F118 HydrophobicContact CD1-CD1 4.1Å; Y68-F118 HydrophobicContact CD1-CE1 4.23Å; Y68-L121 HydrophobicContact CD1-CD1 4.41Å; Y68-L121 HydrophobicContact CD2-CB 4Å; Y68-L121 HydrophobicContact CE1-CB 4.45Å; Y68-L121 HydrophobicContact CE1-CD1 3.97Å; Y68-L121 HydrophobicContact CE2-CB 3.82Å; Y68-L121 HydrophobicContact CG-CB 4.36Å; Y68-L122 HydrophobicContact CD2-CD2 4.34Å; Y68-D125 HydrophobicContact CD2-CB 4.3Å; Y68-D125 HydrophobicContact CE2-CB 4.12Å; Y68-T148 WeakPolarHBondContact CE1-OG1 3.23Å; Y68-T148 WeakPolarHBondContact OH-CB 3.38Å; Y68-T148 PolarHBondContact OH-OG1 3.07Å
69L91.1Very high90.8Very high21 Ų2135.7 Ų35.711%0.1117%0.165CC..Hα-helixtrans-62.8-26.1172.4-72.7173.3000112.9L55 T65 I67 L72 P73 L122 Y297L55-L69 HydrophobicContact CD1-CB 4.12Å; L55-L69 VanDerWaalsContact CD1-O 3.29Å; L55-L69 WeakPolarHBondContact CD1-O 3.38Å; L55-L69 HydrophobicContact CD2-CB 4.41Å; T65-L69 HydrophobicContact CG2-CD1 4.2Å; T65-L69 HydrophobicContact CG2-CG 4.47Å; T65-L69 WeakPolarHBondContact O-CB 3.36Å; T65-L69 VanDerWaalsContact O-CG 3.25Å; T65-L69 WeakPolarHBondContact O-CG 3.23Å; T65-L69 PolarHBondContact O-N 3Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 3.34Å; L69-L72 HydrophobicContact CD2-CD1 4.43Å; L69-P73 WeakPolarHBondContact O-CD 3.5Å; L69-L122 HydrophobicContact CD2-CD1 3.87Å; L69-L122 HydrophobicContact CD2-CD2 4.14Å; L69-L122 HydrophobicContact CG-CD1 4.48Å; L69-L122 HydrophobicContact CG-CD2 3.98Å; L69-Y297 HydrophobicContact CD2-CE1 3.89Å; L69-Y297 WeakPolarHBondContact CD2-OH 3.34Å
70L93.7Very high91.5Very high20 Ų2033.2 Ų33.211%0.10516%0.155CC..Hα-helixtrans-77.1-35.5174.2-175.476.8000111.9F52 L55 I56 L61 D66 I67 Y68 L72 P73 I74F52-L70 HydrophobicContact CD2-CD1 3.51Å; F52-L70 HydrophobicContact CD2-CG 4.21Å; F52-L70 HydrophobicContact CE2-CD1 3.81Å; F52-L70 HydrophobicContact CE2-CG 4.24Å; F52-L70 HydrophobicContact CG-CD1 4.24Å; L55-L70 HydrophobicContact CB-CD1 3.81Å; L55-L70 HydrophobicContact CD1-CB 4.14Å; L55-L70 HydrophobicContact CD1-CD1 4.16Å; I56-L70 HydrophobicContact CD1-CD1 4.24Å; I56-L70 HydrophobicContact CG1-CD1 3.85Å; L61-L70 HydrophobicContact CD1-CD2 3.68Å; L61-L70 HydrophobicContact CD2-CB 4.06Å; L61-L70 HydrophobicContact CD2-CD1 4.32Å; L61-L70 HydrophobicContact CD2-CD2 3.94Å; L61-L70 HydrophobicContact CD2-CG 4.34Å; L61-L70 HydrophobicContact CG-CD2 4.47Å; D66-L70 WeakPolarHBondContact O-CB 3.39Å; D66-L70 PolarHBondContact O-N 3.47Å; I67-L70 WeakPolarHBondContact O-CB 3.42Å; I67-L70 PolarHBondContact O-N 3.46Å; I67-L70 VanDerWaalsContact O-N 3.08Å; Y68-L70 PolarHBondContact O-N 3.06Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 3.42Å; L70-P73 WeakPolarHBondContact O-CD 3.26Å; L70-P73 VanDerWaalsContact O-CG 3.23Å; L70-P73 WeakPolarHBondContact O-CG 3.13Å; L70-I74 HydrophobicContact CG-CD1 4.44Å; L70-I74 WeakPolarHBondContact O-CG1 3.07Å
71N96.3Very high92Very high16 Ų1628 Ų289%0.08614%0.14CC..Hα-helixtrans-73.7-23.6180-73.9-83.8000113I67 Y68 I74 S75 F118 S149 W153I67-N71 PolarHBondContact O-N 3.4Å; I67-N71 VanDerWaalsContact O-N 3.07Å; I67-N71 PolarHBondContact O-ND2 2.83Å; Y68-N71 PolarHBondContact O-N 3Å; Y68-N71 VanDerWaalsContact O-N 3.17Å; N71-I74 PolarHBondContact O-N 3.35Å; N71-S75 PolarHBondContact O-N 3.49Å; N71-S75 PolarHBondContact O-OG 2.85Å; N71-F118 HydrophobicContact CB-CD1 3.73Å; N71-F118 HydrophobicContact CB-CD2 3.62Å; N71-F118 HydrophobicContact CB-CE1 3.49Å; N71-F118 VanDerWaalsContact CB-CE1 3.49Å; N71-F118 HydrophobicContact CB-CE2 3.4Å; N71-F118 VanDerWaalsContact CB-CE2 3.4Å; N71-F118 HydrophobicContact CB-CG 3.82Å; N71-F118 HydrophobicContact CB-CZ 3.34Å; N71-S149 PolarHBondContact ND2-OG 2.7Å; N71-W153 PolarHBondContact OD1-NE1 3.17Å
72L93.5Very high92.3Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..Hα-helixtrans-59.1-57.7173.1-85.2172.1000114Y68 L69 L70 I74 S75 D76 G115 F118 I119 L122 Y297Y68-L72 PolarHBondContact O-N 3.41Å; L69-L72 HydrophobicContact CD2-CD1 4.43Å; L70-L72 VanDerWaalsContact C-N 3.31Å; L70-L72 PolarHBondContact O-N 3.42Å; L72-I74 PolarHBondContact O-N 3.38Å; L72-S75 WeakPolarHBondContact O-CA 3.36Å; L72-S75 VanDerWaalsContact O-CB 3.29Å; L72-S75 WeakPolarHBondContact O-CB 3.43Å; L72-S75 PolarHBondContact O-N 2.72Å; L72-D76 PolarHBondContact O-N 2.97Å; L72-G115 WeakPolarHBondContact CD2-O 3.36Å; L72-F118 HydrophobicContact CD2-CB 4Å; L72-F118 HydrophobicContact CG-CB 4.01Å; L72-I119 HydrophobicContact CD1-CG1 4.43Å; L72-I119 HydrophobicContact CD2-CD1 4.38Å; L72-I119 HydrophobicContact CD2-CG1 3.78Å; L72-L122 HydrophobicContact CD1-CD1 3.38Å; L72-L122 HydrophobicContact CG-CD1 4.38Å; L72-Y297 WeakPolarHBondContact CD1-OH 3.26Å
73P94.6Very high92.5Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-62.8-27.9177.925-34.4000112.1N48 V51 F52 L69 L70 L77N48-P73 HydrophobicContact CB-CB 3.9Å; V51-P73 HydrophobicContact CG1-CB 4.48Å; V51-P73 HydrophobicContact CG1-CG 4.15Å; F52-P73 HydrophobicContact CB-CG 4.48Å; L69-P73 WeakPolarHBondContact O-CD 3.5Å; L70-P73 WeakPolarHBondContact O-CD 3.26Å; L70-P73 VanDerWaalsContact O-CG 3.23Å; L70-P73 WeakPolarHBondContact O-CG 3.13Å; P73-L77 VanDerWaalsContact O-CB 3.3Å; P73-L77 WeakPolarHBondContact O-CB 3.31Å; P73-L77 WeakPolarHBondContact O-CD1 3.33Å; P73-L77 WeakPolarHBondContact O-CG 3.06Å; P73-L77 PolarHBondContact O-N 2.89Å
74I96Very high92.3Very high46 Ų4619.1 Ų19.124%0.23610%0.1CC..Hα-helixtrans-65.3-42.7172.1-60.3172000110.6F52 L70 N71 L72 L77 F78 W153F52-I74 HydrophobicContact CD2-CD1 4.42Å; F52-I74 HydrophobicContact CD2-CG1 4.01Å; F52-I74 HydrophobicContact CE2-CD1 3.93Å; F52-I74 HydrophobicContact CE2-CG1 3.92Å; L70-I74 HydrophobicContact CG-CD1 4.44Å; L70-I74 WeakPolarHBondContact O-CG1 3.07Å; N71-I74 PolarHBondContact O-N 3.35Å; L72-I74 PolarHBondContact O-N 3.38Å; I74-L77 PolarHBondContact O-N 2.82Å; I74-F78 HydrophobicContact CG2-CD2 4.19Å; I74-F78 HydrophobicContact CG2-CE2 3.8Å; I74-F78 VanDerWaalsContact O-CD2 3.32Å; I74-F78 WeakPolarHBondContact O-CD2 3.4Å; I74-F78 PolarHBondContact O-N 3.13Å; I74-W153 HydrophobicContact CB-CH2 4.48Å; I74-W153 HydrophobicContact CB-CZ2 4.14Å; I74-W153 HydrophobicContact CG2-CH2 3.82Å; I74-W153 HydrophobicContact CG2-CZ2 3.68Å
75S96.6Very high91.7Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-62.9-46.3175.4-55.60000111.5N71 L72 L77 F78 F79 G111 S114N71-S75 PolarHBondContact O-N 3.49Å; N71-S75 PolarHBondContact O-OG 2.85Å; L72-S75 WeakPolarHBondContact O-CA 3.36Å; L72-S75 VanDerWaalsContact O-CB 3.29Å; L72-S75 WeakPolarHBondContact O-CB 3.43Å; L72-S75 PolarHBondContact O-N 2.72Å; S75-L77 VanDerWaalsContact C-N 3.29Å; S75-L77 PolarHBondContact O-N 2.64Å; S75-F78 PolarHBondContact O-N 3.26Å; S75-F79 PolarHBondContact O-N 3.13Å; S75-F79 VanDerWaalsContact O-N 3.14Å; S75-G111 WeakPolarHBondContact O-CA 3.49Å; S75-S114 WeakPolarHBondContact CB-OG 3.37Å; S75-S114 WeakPolarHBondContact OG-CB 3.48Å; S75-S114 PolarHBondContact OG-OG 3.04Å
76D95.4Very high90.6Very high9 Ų921.1 Ų21.15%0.04811%0.114CC..Hα-helixtrans-63.3-35.6176.6-67.4-36000111.4N48 L72 F79 L80 C290 N293N48-D76 PolarHBondContact OD1-OD2 2.92Å; L72-D76 PolarHBondContact O-N 2.97Å; D76-F79 WeakPolarHBondContact O-CB 3.39Å; D76-F79 PolarHBondContact O-N 3.26Å; D76-L80 WeakPolarHBondContact O-CB 3.46Å; D76-L80 WeakPolarHBondContact O-CD1 3.43Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.46Å; D76-C290 HydrophobicContact CB-CB 4.26Å; D76-N293 PolarHBondContact OD2-ND2 3.29Å
77L95.1Very high89.1Confident23 Ų2321.3 Ų21.312%0.1212%0.116CC..Hα-helixtrans-66.6-42.6175.4-76.6169.8000112.4F45 N48 M49 P73 I74 S75 F79 L80 L81F45-L77 HydrophobicContact CD2-CD2 3.76Å; F45-L77 HydrophobicContact CE2-CD2 4.1Å; F45-L77 HydrophobicContact CG-CD2 4.47Å; N48-L77 HydrophobicContact CB-CD2 4.2Å; N48-L77 HydrophobicContact CB-CG 4.11Å; M49-L77 HydrophobicContact CE-CD1 3.57Å; M49-L77 HydrophobicContact CE-CD2 3.81Å; M49-L77 HydrophobicContact CE-CG 4.33Å; M49-L77 HydrophobicContact CG-CD2 4.32Å; M49-L77 HydrophobicContact SD-CD1 3.86Å; P73-L77 VanDerWaalsContact O-CB 3.3Å; P73-L77 WeakPolarHBondContact O-CB 3.31Å; P73-L77 WeakPolarHBondContact O-CD1 3.33Å; P73-L77 WeakPolarHBondContact O-CG 3.06Å; P73-L77 PolarHBondContact O-N 2.89Å; I74-L77 PolarHBondContact O-N 2.82Å; S75-L77 VanDerWaalsContact C-N 3.29Å; S75-L77 PolarHBondContact O-N 2.64Å; L77-F79 VanDerWaalsContact C-N 3.26Å; L77-F79 PolarHBondContact O-N 3.45Å; L77-L80 HydrophobicContact CD2-CD1 4.3Å; L77-L80 PolarHBondContact O-N 3.37Å; L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 3.45Å
78F94.4Very high87.2Confident64 Ų6426.2 Ų26.228%0.28114%0.138SC..Hα-helixtrans-57.6-43172.5-78.7-57.5000111.5I74 S75 L81 F107 W153I74-F78 HydrophobicContact CG2-CD2 4.19Å; I74-F78 HydrophobicContact CG2-CE2 3.8Å; I74-F78 VanDerWaalsContact O-CD2 3.32Å; I74-F78 WeakPolarHBondContact O-CD2 3.4Å; I74-F78 PolarHBondContact O-N 3.13Å; S75-F78 PolarHBondContact O-N 3.26Å; F78-L81 PolarHBondContact O-N 2.91Å; F78-F107 AromaticContact CD1-CD1 3.91Å; F78-F107 HydrophobicContact CD1-CD1 3.91Å; F78-F107 HydrophobicContact CD1-CE1 4.14Å; F78-F107 HydrophobicContact CD1-CG 4.34Å; F78-F107 HydrophobicContact CE1-CD1 4.36Å; F78-F107 HydrophobicContact CE1-CE1 4.17Å; F78-W153 AromaticContact CD2-CH2 3.58Å; F78-W153 HydrophobicContact CD2-CH2 3.58Å; F78-W153 AromaticContact CD2-CZ3 3.68Å; F78-W153 HydrophobicContact CD2-CZ3 3.68Å; F78-W153 AromaticContact CE2-CH2 3.52Å; F78-W153 HydrophobicContact CE2-CH2 3.52Å; F78-W153 HydrophobicContact CE2-CZ2 4.44Å; F78-W153 AromaticContact CE2-CZ3 3.56Å; F78-W153 HydrophobicContact CE2-CZ3 3.56Å
79F92.3Very high85.5Confident6 Ų630.1 Ų30.13%0.02615%0.154CC..Hα-helixtrans-64.8-42.8175.9-165.9-89.9000112.2S75 D76 L77 L81 T82 Y108 W248 M287 C290S75-F79 PolarHBondContact O-N 3.13Å; S75-F79 VanDerWaalsContact O-N 3.14Å; D76-F79 WeakPolarHBondContact O-CB 3.39Å; D76-F79 PolarHBondContact O-N 3.26Å; L77-F79 VanDerWaalsContact C-N 3.26Å; L77-F79 PolarHBondContact O-N 3.45Å; F79-L81 VanDerWaalsContact C-N 3.29Å; F79-L81 PolarHBondContact O-N 3.01Å; F79-T82 PolarHBondContact O-N 3.37Å; F79-T82 VanDerWaalsContact O-N 3.1Å; F79-T82 PolarHBondContact O-OG1 3.15Å; F79-Y108 HydrophobicContact CD2-CD2 4.05Å; F79-Y108 HydrophobicContact CD2-CE2 4.4Å; F79-Y108 AromaticContact CE2-CD2 3.39Å; F79-Y108 HydrophobicContact CE2-CD2 3.39Å; F79-Y108 AromaticContact CE2-CE2 3.34Å; F79-Y108 HydrophobicContact CE2-CE2 3.34Å; F79-Y108 HydrophobicContact CE2-CG 4.16Å; F79-Y108 AromaticContact CZ-CD2 3.88Å; F79-Y108 HydrophobicContact CZ-CD2 3.88Å; F79-Y108 AromaticContact CZ-CE2 3.55Å; F79-Y108 HydrophobicContact CZ-CE2 3.55Å; F79-W248 AromaticContact CE2-CH2 3.95Å; F79-W248 HydrophobicContact CE2-CH2 3.95Å; F79-W248 HydrophobicContact CE2-CZ2 4.12Å; F79-W248 AromaticContact CZ-CH2 3.8Å; F79-W248 HydrophobicContact CZ-CH2 3.8Å; F79-W248 AromaticContact CZ-CZ2 3.92Å; F79-W248 HydrophobicContact CZ-CZ2 3.92Å; F79-M287 HydrophobicContact CE1-CB 4Å; F79-M287 HydrophobicContact CE1-CG 3.89Å; F79-M287 HydrophobicContact CZ-CB 4.3Å; F79-M287 HydrophobicContact CZ-CG 3.78Å; F79-C290 HydrophobicContact CD1-CB 3.99Å
80L93.3Very high83.7Confident0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-63.6-31.9178.7-78.9160.6000113V40 F41 G44 D76 L77 T82 V83 P84 C290V40-L80 HydrophobicContact CG1-CD2 4.32Å; F41-L80 WeakPolarHBondContact CD2-O 3.41Å; G44-L80 WeakPolarHBondContact O-CD1 3.31Å; D76-L80 WeakPolarHBondContact O-CB 3.46Å; D76-L80 WeakPolarHBondContact O-CD1 3.43Å; D76-L80 WeakPolarHBondContact O-CG 3.26Å; D76-L80 PolarHBondContact O-N 3.46Å; L77-L80 HydrophobicContact CD2-CD1 4.3Å; L77-L80 PolarHBondContact O-N 3.37Å; L80-T82 PolarHBondContact O-N 2.89Å; L80-V83 PolarHBondContact O-N 2.94Å; L80-P84 VanDerWaalsContact O-CD 3.23Å; L80-P84 WeakPolarHBondContact O-CD 3.41Å; L80-C290 WeakPolarHBondContact CD2-SG 3.12Å; L80-C290 HydrophobicContact CG-CB 4.28Å
81L91.8Very high81.6Confident74 Ų7433.5 Ų33.539%0.38718%0.184SC..THydrogen-bonded Turntrans-61.6-22.4175.8-70.8173000112.6L77 F78 F79 F85L77-L81 WeakPolarHBondContact O-CG 3.27Å; L77-L81 PolarHBondContact O-N 3.45Å; F78-L81 PolarHBondContact O-N 2.91Å; F79-L81 VanDerWaalsContact C-N 3.29Å; F79-L81 PolarHBondContact O-N 3.01Å; L81-F85 VanDerWaalsContact O-CD2 3.31Å; L81-F85 WeakPolarHBondContact O-CD2 3.19Å; L81-F85 WeakPolarHBondContact O-CE2 3.33Å
82T89.5Confident79.9Confident14 Ų1435.5 Ų35.59%0.08620%0.202CC..THydrogen-bonded Turntrans-87.9-21.2178.974.30000113.2F79 L80 F85 G86 L104 F107F79-T82 PolarHBondContact O-N 3.37Å; F79-T82 VanDerWaalsContact O-N 3.1Å; F79-T82 PolarHBondContact O-OG1 3.15Å; L80-T82 PolarHBondContact O-N 2.89Å; T82-F85 PolarHBondContact O-N 2.7Å; T82-G86 PolarHBondContact O-N 3.36Å; T82-G86 VanDerWaalsContact O-N 3.1Å; T82-L104 HydrophobicContact CG2-CB 4.45Å; T82-L104 HydrophobicContact CG2-CD2 4.23Å; T82-L104 VanDerWaalsContact CG2-O 3.23Å; T82-L104 WeakPolarHBondContact CG2-O 3.28Å; T82-F107 HydrophobicContact CG2-CB 3.59Å
83V86.1Confident78.8Confident2 Ų239 Ų391%0.01222%0.219CC..Hα-helixtrans-60.4-45.7-174.4175.90000113.1Y37 F41 L80 F85 G86 V87Y37-V83 HydrophobicContact CD2-CG1 4.42Å; Y37-V83 HydrophobicContact CG-CG1 4Å; Y37-V83 WeakPolarHBondContact O-CG1 3.18Å; F41-V83 HydrophobicContact CB-CG1 4.34Å; L80-V83 PolarHBondContact O-N 2.94Å; V83-F85 VanDerWaalsContact C-N 3.25Å; V83-F85 PolarHBondContact O-N 3.23Å; V83-G86 WeakPolarHBondContact O-CA 3.33Å; V83-G86 PolarHBondContact O-N 3.46Å; V83-G86 VanDerWaalsContact O-N 3.08Å; V83-V87 PolarHBondContact O-N 3.48Å; V83-V87 VanDerWaalsContact O-N 3.11Å
84P81.7Confident78Confident41 Ų4139.9 Ų39.927%0.26622%0.222SC..Hα-helixtrans-59.6-34.8178.2-2534.8000113.4F41 L80 V87 H88F41-P84 HydrophobicContact CD1-CG 4.42Å; F41-P84 HydrophobicContact CD2-CG 3.56Å; F41-P84 HydrophobicContact CE1-CG 4.48Å; F41-P84 HydrophobicContact CE2-CG 3.62Å; F41-P84 HydrophobicContact CG-CG 3.98Å; F41-P84 HydrophobicContact CZ-CG 4.09Å; L80-P84 VanDerWaalsContact O-CD 3.23Å; L80-P84 WeakPolarHBondContact O-CD 3.41Å; P84-V87 WeakPolarHBondContact O-CB 3.12Å; P84-V87 PolarHBondContact O-N 3.03Å; P84-H88 PolarHBondContact O-CD2 3.49Å; P84-H88 VanDerWaalsContact O-CD2 3.28Å; P84-H88 PolarHBondContact O-N 3.26Å
85F76.8Confident77.2Confident51 Ų5143.1 Ų43.122%0.22424%0.24CC..Hα-helixtrans-74.5-32.4177.9-60.5-89.8000111.6L81 T82 V83 V87 H88 Y89 F96 M100 L104L81-F85 VanDerWaalsContact O-CD2 3.31Å; L81-F85 WeakPolarHBondContact O-CD2 3.19Å; L81-F85 WeakPolarHBondContact O-CE2 3.33Å; T82-F85 PolarHBondContact O-N 2.7Å; V83-F85 VanDerWaalsContact C-N 3.25Å; V83-F85 PolarHBondContact O-N 3.23Å; F85-V87 PolarHBondContact O-N 3.06Å; F85-H88 PolarHBondContact O-N 3.25Å; F85-Y89 PolarHBondContact O-N 2.96Å; F85-F96 HydrophobicContact CD1-CD2 4.08Å; F85-F96 HydrophobicContact CD1-CE1 4.15Å; F85-F96 AromaticContact CD1-CE2 3.56Å; F85-F96 HydrophobicContact CD1-CE2 3.56Å; F85-F96 AromaticContact CD1-CZ 3.6Å; F85-F96 HydrophobicContact CD1-CZ 3.6Å; F85-F96 HydrophobicContact CE1-CD1 4.34Å; F85-F96 AromaticContact CE1-CE1 3.75Å; F85-F96 HydrophobicContact CE1-CE1 3.75Å; F85-F96 HydrophobicContact CE1-CE2 4.02Å; F85-F96 AromaticContact CE1-CZ 3.57Å; F85-F96 HydrophobicContact CE1-CZ 3.57Å; F85-M100 HydrophobicContact CE1-CE 4.26Å; F85-M100 HydrophobicContact CZ-CE 4.34Å; F85-L104 HydrophobicContact CB-CD1 3.6Å; F85-L104 HydrophobicContact CD1-CD1 3.63Å; F85-L104 HydrophobicContact CD2-CD1 3.82Å; F85-L104 HydrophobicContact CD2-CD2 3.58Å; F85-L104 HydrophobicContact CD2-CG 4.38Å; F85-L104 HydrophobicContact CE1-CD1 4.23Å; F85-L104 HydrophobicContact CE2-CD1 4.4Å; F85-L104 HydrophobicContact CE2-CD2 3.84Å; F85-L104 HydrophobicContact CG-CD1 3.39Å; F85-L104 HydrophobicContact CG-CD2 4.07Å; F85-L104 HydrophobicContact CG-CG 4.4Å
86G67.4Low76.4Confident25 Ų2546.8 Ų46.826%0.25826%0.256SS..Hα-helixtrans-66.4-20.2169.800000114.1T82 V83 P90T82-G86 PolarHBondContact O-N 3.36Å; T82-G86 VanDerWaalsContact O-N 3.1Å; V83-G86 WeakPolarHBondContact O-CA 3.33Å; V83-G86 PolarHBondContact O-N 3.46Å; V83-G86 VanDerWaalsContact O-N 3.08Å; G86-P90 WeakPolarHBondContact O-CD 3.47Å
87V58.4Low75.8Confident18 Ų1853.5 Ų53.511%0.10929%0.287CS..Hα-helixtrans-76.1-38.4173.5170.70000112.5P34 Y37 V83 P84 F85 P90P34-V87 HydrophobicContact CB-CG1 3.61Å; P34-V87 HydrophobicContact CG-CG1 4.2Å; Y37-V87 HydrophobicContact CD2-CG2 3.73Å; Y37-V87 HydrophobicContact CG-CG2 3.96Å; V83-V87 PolarHBondContact O-N 3.48Å; V83-V87 VanDerWaalsContact O-N 3.11Å; P84-V87 WeakPolarHBondContact O-CB 3.12Å; P84-V87 PolarHBondContact O-N 3.03Å; F85-V87 PolarHBondContact O-N 3.06Å; V87-P90 WeakPolarHBondContact O-CD 3.42Å
88H54.4Low75.4Confident115 Ų11555 Ų5553%0.53230%0.295SS..Hα-helixtrans-74.6-29.4-178-77.6-71.2000112.5P84 F85 A91 A92P84-H88 PolarHBondContact O-CD2 3.49Å; P84-H88 VanDerWaalsContact O-CD2 3.28Å; P84-H88 PolarHBondContact O-N 3.26Å; F85-H88 PolarHBondContact O-N 3.25Å; H88-A91 PolarHBondContact O-N 2.95Å; H88-A92 PolarHBondContact O-N 3.45Å
89Y56.8Low75.2Confident87 Ų8756.6 Ų56.634%0.34131%0.31SS..Hα-helixtrans-64.8-39.9-174.5-178.6-114.4000115.8F85 A92 W94 T177F85-Y89 PolarHBondContact O-N 2.96Å; Y89-A92 VanDerWaalsContact O-O 3.11Å; Y89-W94 HydrophobicContact CD2-CB 4.34Å; Y89-W94 HydrophobicContact CD2-CE3 4.02Å; Y89-W94 HydrophobicContact CE2-CB 4.39Å; Y89-T177 HydrophobicContact CE2-CG2 4.36Å; Y89-T177 WeakPolarHBondContact OH-CB 3.28Å; Y89-T177 WeakPolarHBondContact OH-CG2 3.31Å
90P53.8Low75Confident44 Ų4459.4 Ų59.429%0.28632%0.324SS..Hα-helixtrans-79.9-22.6177.1-14.530.2000113.8L33 G86 V87L33-P90 HydrophobicContact CD1-CG 4.19Å; G86-P90 WeakPolarHBondContact O-CD 3.47Å; V87-P90 WeakPolarHBondContact O-CD 3.42Å
91A49.5Very low74.8Confident67 Ų6759.4 Ų59.455%0.55432%0.324SS*.Hα-helixtrans-91.5-18.8-176.100000113.1H88H88-A91 PolarHBondContact O-N 2.95Å
92A61Low74.8Confident58 Ų5858.4 Ų58.448%0.47932%0.318SS..SBendtrans-144.6-150.4-178.200000110.8H88 Y89H88-A92 PolarHBondContact O-N 3.45Å; Y89-A92 VanDerWaalsContact O-O 3.11Å
93Q70.4Confident75Confident74 Ų7461.7 Ų61.735%0.34633%0.334SS..  trans-106.6168.4172.767.1-169.9-8.900110.1D95 H175Q93-D95 WeakPolarHBondContact CG-OD1 3.38Å; Q93-D95 PolarHBondContact NE2-OD1 2.99Å; Q93-D95 PolarHBondContact O-N 3.2Å; Q93-H175 HydrophobicContact CB-CB 4.17Å
94W77.5Confident75.2Confident20 Ų2062.3 Ų62.38%0.07634%0.337CS..  trans-72.892.8170.8-173.2-92.1000110.5Y89 F96 C101 L104 Y176 C178Y89-W94 HydrophobicContact CD2-CB 4.34Å; Y89-W94 HydrophobicContact CD2-CE3 4.02Å; Y89-W94 HydrophobicContact CE2-CB 4.39Å; W94-F96 VanDerWaalsContact C-N 3.32Å; W94-F96 HydrophobicContact CZ2-CB 3.86Å; W94-F96 HydrophobicContact CZ2-CD2 4.34Å; W94-F96 HydrophobicContact CZ2-CG 4.49Å; W94-F96 PolarHBondContact NE1-O 3.12Å; W94-C101 HydrophobicContact CH2-CB 4.39Å; W94-C101 HydrophobicContact CZ2-CB 3.54Å; W94-L104 HydrophobicContact CH2-CD1 3.71Å; W94-L104 HydrophobicContact CZ2-CD1 4.33Å; W94-Y176 WeakPolarHBondContact CB-O 3.5Å; W94-Y176 PolarHBondContact N-O 3.48Å; W94-Y176 VanDerWaalsContact O-CB 3.29Å; W94-Y176 WeakPolarHBondContact O-CB 3.21Å; W94-C178 HydrophobicContact CD2-CB 3.5Å; W94-C178 HydrophobicContact CE3-CB 3.64Å; W94-C178 HydrophobicContact CG-CB 3.98Å; W94-C178 HydrophobicContact CH2-CB 4.26Å; W94-C178 HydrophobicContact CZ2-CB 4.2Å; W94-C178 HydrophobicContact CZ3-CB 4.01Å
95D78.5Confident75.7Confident113 Ų11361.2 Ų61.260%0.60433%0.33SS*.  trans-81.1-9.2-178.9-65.1-48.5000113.7Q93Q93-D95 WeakPolarHBondContact CG-OD1 3.38Å; Q93-D95 PolarHBondContact NE2-OD1 2.99Å; Q93-D95 PolarHBondContact O-N 3.2Å
96F79.6Confident76.6Confident77 Ų7759 Ų5934%0.33832%0.322SS..SBendtrans-87.4156.2-178.9-58.1-82.4000112.1F85 W94 M100F85-F96 HydrophobicContact CD1-CD2 4.08Å; F85-F96 HydrophobicContact CD1-CE1 4.15Å; F85-F96 AromaticContact CD1-CE2 3.56Å; F85-F96 HydrophobicContact CD1-CE2 3.56Å; F85-F96 AromaticContact CD1-CZ 3.6Å; F85-F96 HydrophobicContact CD1-CZ 3.6Å; F85-F96 HydrophobicContact CE1-CD1 4.34Å; F85-F96 AromaticContact CE1-CE1 3.75Å; F85-F96 HydrophobicContact CE1-CE1 3.75Å; F85-F96 HydrophobicContact CE1-CE2 4.02Å; F85-F96 AromaticContact CE1-CZ 3.57Å; F85-F96 HydrophobicContact CE1-CZ 3.57Å; W94-F96 VanDerWaalsContact C-N 3.32Å; W94-F96 HydrophobicContact CZ2-CB 3.86Å; W94-F96 HydrophobicContact CZ2-CD2 4.34Å; W94-F96 HydrophobicContact CZ2-CG 4.49Å; W94-F96 PolarHBondContact NE1-O 3.12Å; F96-M100 HydrophobicContact CB-CB 3.9Å; F96-M100 HydrophobicContact CB-CG 3.99Å; F96-M100 HydrophobicContact CD1-CG 4.25Å; F96-M100 HydrophobicContact CG-CG 4.19Å
97E84.3Confident77.9Confident151 Ų15160.3 Ų60.371%0.70632%0.32SS*.  trans-68.1164.5175.8-67.1-175.1173.600112.9T99 M100 C101E97-T99 PolarHBondContact O-N 3.29Å; E97-M100 PolarHBondContact O-N 3.13Å; E97-M100 VanDerWaalsContact O-N 3.09Å; E97-C101 PolarHBondContact O-N 3.22Å
98N86.6Confident79.6Confident54 Ų5460.8 Ų60.829%0.28932%0.32SS..Hα-helixtrans-54.6-36.7176.2-17971.6000113M100 C101 Q102 R168 S169N98-M100 VanDerWaalsContact C-N 3.3Å; N98-M100 PolarHBondContact O-N 3.03Å; N98-C101 WeakPolarHBondContact O-CB 3.28Å; N98-C101 PolarHBondContact O-N 3.48Å; N98-Q102 PolarHBondContact O-N 3.4Å; N98-R168 VanDerWaalsContact OD1-CA 3.27Å; N98-R168 WeakPolarHBondContact OD1-CA 3.39Å; N98-S169 PolarHBondContact OD1-N 2.78Å
99T88.6Confident81.5Confident98 Ų9856.3 Ų56.360%0.60130%0.299SS*.Hα-helixtrans-59.2-42.1178.2-48.60000111.7E97 Q102 L103E97-T99 PolarHBondContact O-N 3.29Å; T99-Q102 PolarHBondContact O-N 2.88Å; T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 3.04Å
100M88.9Confident83.4Confident64 Ų6453.2 Ų53.232%0.31529%0.289SS..Hα-helixtrans-69.9-37.8178.3-170.962.7104.400111.2F85 F96 E97 N98 Q102 L103 L104F85-M100 HydrophobicContact CE1-CE 4.26Å; F85-M100 HydrophobicContact CZ-CE 4.34Å; F96-M100 HydrophobicContact CB-CB 3.9Å; F96-M100 HydrophobicContact CB-CG 3.99Å; F96-M100 HydrophobicContact CD1-CG 4.25Å; F96-M100 HydrophobicContact CG-CG 4.19Å; E97-M100 PolarHBondContact O-N 3.13Å; E97-M100 VanDerWaalsContact O-N 3.09Å; N98-M100 VanDerWaalsContact C-N 3.3Å; N98-M100 PolarHBondContact O-N 3.03Å; M100-Q102 PolarHBondContact O-N 3.21Å; M100-L103 PolarHBondContact O-N 3.19Å; M100-L103 HydrophobicContact SD-CD2 4.31Å; M100-L104 HydrophobicContact CG-CD1 3.68Å; M100-L104 HydrophobicContact CG-CG 4.19Å; M100-L104 WeakPolarHBondContact O-CB 3.43Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.39Å; M100-L104 PolarHBondContact O-N 3.34Å; M100-L104 HydrophobicContact SD-CD1 4.12Å; M100-L104 HydrophobicContact SD-CG 4.09Å
101C89.2Confident85.4Confident0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-58.5-46.8174.8169.50000111.4W94 E97 N98 T105 T167 C178W94-C101 HydrophobicContact CH2-CB 4.39Å; W94-C101 HydrophobicContact CZ2-CB 3.54Å; E97-C101 PolarHBondContact O-N 3.22Å; N98-C101 WeakPolarHBondContact O-CB 3.28Å; N98-C101 PolarHBondContact O-N 3.48Å; C101-T105 VanDerWaalsContact O-CB 3.27Å; C101-T105 WeakPolarHBondContact O-CB 3.42Å; C101-T105 PolarHBondContact O-N 3.19Å; C101-T105 PolarHBondContact O-OG1 2.99Å; C101-T167 VanDerWaalsContact SG-CG2 3.57Å; C101-C178 VanDerWaalsContact CA-SG 3.58Å; C101-C178 HydrophobicContact CB-CB 3.9Å; C101-C178 WeakPolarHBondContact CB-SG 3.39Å; C101-C178 WeakPolarHBondContact SG-CB 3.31Å; C101-C178 CovalentContact SG-SG 2.02Å; C101-C178 PolarHBondContact SG-SG 3.39Å
102Q91.9Very high87.6Confident53 Ų5348.6 Ų48.625%0.24825%0.252CS..Hα-helixtrans-66.5-42.6177-70.6-178.1-28.700112.5N98 T99 M100 T105 G106 I164 T167N98-Q102 PolarHBondContact O-N 3.4Å; T99-Q102 PolarHBondContact O-N 2.88Å; M100-Q102 PolarHBondContact O-N 3.21Å; Q102-T105 PolarHBondContact O-N 3.49Å; Q102-G106 PolarHBondContact O-N 3.4Å; Q102-I164 HydrophobicContact CB-CG2 4.14Å; Q102-T167 WeakPolarHBondContact CG-O 3.4Å; Q102-T167 PolarHBondContact NE2-O 2.97Å
103L92.6Very high89.3Confident84 Ų8445.8 Ų45.844%0.4423%0.229SC..Hα-helixtrans-63-48.3179.1-176.566.6000111.9T99 M100 G106 F107T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 3.04Å; M100-L103 PolarHBondContact O-N 3.19Å; M100-L103 HydrophobicContact SD-CD2 4.31Å; L103-G106 CarbonylContact O-C 3.59Å; L103-G106 WeakPolarHBondContact O-CA 3.35Å; L103-G106 PolarHBondContact O-N 2.91Å; L103-G106 VanDerWaalsContact O-N 3.09Å; L103-F107 HydrophobicContact CD1-CE1 4.08Å; L103-F107 HydrophobicContact CD1-CE2 4.25Å; L103-F107 HydrophobicContact CD1-CZ 3.82Å; L103-F107 HydrophobicContact CD2-CE2 4.25Å; L103-F107 HydrophobicContact CD2-CZ 4.43Å; L103-F107 HydrophobicContact CG-CD2 4.45Å; L103-F107 HydrophobicContact CG-CE2 3.98Å; L103-F107 HydrophobicContact CG-CZ 4.07Å; L103-F107 PolarHBondContact O-N 3.45Å
104L92Very high90.6Very high14 Ų1442.3 Ų42.37%0.07321%0.213CC..Hα-helixtrans-66.7-39179.5-68.3169.7000111.5T82 F85 W94 M100 G106 F107 Y108T82-L104 HydrophobicContact CG2-CB 4.45Å; T82-L104 HydrophobicContact CG2-CD2 4.23Å; T82-L104 VanDerWaalsContact CG2-O 3.23Å; T82-L104 WeakPolarHBondContact CG2-O 3.28Å; F85-L104 HydrophobicContact CB-CD1 3.6Å; F85-L104 HydrophobicContact CD1-CD1 3.63Å; F85-L104 HydrophobicContact CD2-CD1 3.82Å; F85-L104 HydrophobicContact CD2-CD2 3.58Å; F85-L104 HydrophobicContact CD2-CG 4.38Å; F85-L104 HydrophobicContact CE1-CD1 4.23Å; F85-L104 HydrophobicContact CE2-CD1 4.4Å; F85-L104 HydrophobicContact CE2-CD2 3.84Å; F85-L104 HydrophobicContact CG-CD1 3.39Å; F85-L104 HydrophobicContact CG-CD2 4.07Å; F85-L104 HydrophobicContact CG-CG 4.4Å; W94-L104 HydrophobicContact CH2-CD1 3.71Å; W94-L104 HydrophobicContact CZ2-CD1 4.33Å; M100-L104 HydrophobicContact CG-CD1 3.68Å; M100-L104 HydrophobicContact CG-CG 4.19Å; M100-L104 WeakPolarHBondContact O-CB 3.43Å; M100-L104 VanDerWaalsContact O-CG 3.25Å; M100-L104 WeakPolarHBondContact O-CG 3.39Å; M100-L104 PolarHBondContact O-N 3.34Å; M100-L104 HydrophobicContact SD-CD1 4.12Å; M100-L104 HydrophobicContact SD-CG 4.09Å; L104-G106 PolarHBondContact O-N 3.11Å; L104-F107 PolarHBondContact O-N 2.84Å; L104-Y108 WeakPolarHBondContact O-CB 3.5Å; L104-Y108 PolarHBondContact O-N 3.15Å
105T91.8Very high91.4Very high19 Ų1941.7 Ų41.712%0.11721%0.213CC..Hα-helixtrans-58.4-40.8170.4-61.60000111.1C101 Q102 Y108 F109 T167C101-T105 VanDerWaalsContact O-CB 3.27Å; C101-T105 WeakPolarHBondContact O-CB 3.42Å; C101-T105 PolarHBondContact O-N 3.19Å; C101-T105 PolarHBondContact O-OG1 2.99Å; Q102-T105 PolarHBondContact O-N 3.49Å; T105-Y108 PolarHBondContact O-N 3.04Å; T105-F109 HydrophobicContact CG2-CD2 3.69Å; T105-F109 HydrophobicContact CG2-CE2 3.62Å; T105-F109 VanDerWaalsContact O-CD2 3.28Å; T105-F109 WeakPolarHBondContact O-CD2 3.18Å; T105-F109 PolarHBondContact O-N 3.42Å; T105-T167 HydrophobicContact CG2-CG2 4.35Å; T105-T167 WeakPolarHBondContact OG1-CG2 3.25Å
106G94.7Very high92.3Very high4 Ų436.3 Ų36.34%0.04118%0.184CC..Hα-helixtrans-60.8-52174.600000112.4Q102 L103 L104 Y108 F109 I110Q102-G106 PolarHBondContact O-N 3.4Å; L103-G106 CarbonylContact O-C 3.59Å; L103-G106 WeakPolarHBondContact O-CA 3.35Å; L103-G106 PolarHBondContact O-N 2.91Å; L103-G106 VanDerWaalsContact O-N 3.09Å; L104-G106 PolarHBondContact O-N 3.11Å; G106-Y108 VanDerWaalsContact C-N 3.29Å; G106-Y108 PolarHBondContact O-N 2.78Å; G106-F109 PolarHBondContact O-N 2.91Å; G106-I110 WeakPolarHBondContact O-CB 3.32Å; G106-I110 WeakPolarHBondContact O-CD1 3.41Å; G106-I110 WeakPolarHBondContact O-CG1 3.25Å; G106-I110 PolarHBondContact O-N 3.21Å
107F95.6Very high93.1Very high53 Ų5333.7 Ų33.723%0.23217%0.172CC..Hα-helixtrans-60.4-37.6177.6-69.7-18.8000113F78 T82 L103 L104 G111F78-F107 AromaticContact CD1-CD1 3.91Å; F78-F107 HydrophobicContact CD1-CD1 3.91Å; F78-F107 HydrophobicContact CD1-CE1 4.14Å; F78-F107 HydrophobicContact CD1-CG 4.34Å; F78-F107 HydrophobicContact CE1-CD1 4.36Å; F78-F107 HydrophobicContact CE1-CE1 4.17Å; T82-F107 HydrophobicContact CG2-CB 3.59Å; L103-F107 HydrophobicContact CD1-CE1 4.08Å; L103-F107 HydrophobicContact CD1-CE2 4.25Å; L103-F107 HydrophobicContact CD1-CZ 3.82Å; L103-F107 HydrophobicContact CD2-CE2 4.25Å; L103-F107 HydrophobicContact CD2-CZ 4.43Å; L103-F107 HydrophobicContact CG-CD2 4.45Å; L103-F107 HydrophobicContact CG-CE2 3.98Å; L103-F107 HydrophobicContact CG-CZ 4.07Å; L103-F107 PolarHBondContact O-N 3.45Å; L104-F107 PolarHBondContact O-N 2.84Å; F107-G111 PolarHBondContact O-N 2.89Å
108Y93.5Very high93.7Very high27 Ų2726.5 Ų26.511%0.10614%0.139CC..Hα-helixtrans-60.4-54.8175.5176.1-89.5000111.1F79 L104 T105 G106 F112 E283 M287F79-Y108 HydrophobicContact CD2-CD2 4.05Å; F79-Y108 HydrophobicContact CD2-CE2 4.4Å; F79-Y108 AromaticContact CE2-CD2 3.39Å; F79-Y108 HydrophobicContact CE2-CD2 3.39Å; F79-Y108 AromaticContact CE2-CE2 3.34Å; F79-Y108 HydrophobicContact CE2-CE2 3.34Å; F79-Y108 HydrophobicContact CE2-CG 4.16Å; F79-Y108 AromaticContact CZ-CD2 3.88Å; F79-Y108 HydrophobicContact CZ-CD2 3.88Å; F79-Y108 AromaticContact CZ-CE2 3.55Å; F79-Y108 HydrophobicContact CZ-CE2 3.55Å; L104-Y108 WeakPolarHBondContact O-CB 3.5Å; L104-Y108 PolarHBondContact O-N 3.15Å; T105-Y108 PolarHBondContact O-N 3.04Å; G106-Y108 VanDerWaalsContact C-N 3.29Å; G106-Y108 PolarHBondContact O-N 2.78Å; Y108-F112 VanDerWaalsContact O-CB 3.31Å; Y108-F112 WeakPolarHBondContact O-CB 3.49Å; Y108-F112 PolarHBondContact O-N 3.27Å; Y108-E283 PolarHBondContact OH-OE1 3.18Å; Y108-M287 HydrophobicContact CE2-CE 3.85Å
109F94.9Very high94.1Very high21 Ų2124 Ų249%0.09213%0.126CC..Hα-helixtrans-70.4-39.2-178.3-77.2-61.3000112.8T105 G106 F112 F113 S160 I198T105-F109 HydrophobicContact CG2-CD2 3.69Å; T105-F109 HydrophobicContact CG2-CE2 3.62Å; T105-F109 VanDerWaalsContact O-CD2 3.28Å; T105-F109 WeakPolarHBondContact O-CD2 3.18Å; T105-F109 PolarHBondContact O-N 3.42Å; G106-F109 PolarHBondContact O-N 2.91Å; F109-F112 PolarHBondContact O-N 2.66Å; F109-F113 HydrophobicContact CB-CD2 4.2Å; F109-F113 HydrophobicContact CB-CE2 4.12Å; F109-F113 AromaticContact CD1-CE2 3.84Å; F109-F113 HydrophobicContact CD1-CE2 3.84Å; F109-F113 HydrophobicContact CD1-CZ 4.45Å; F109-F113 HydrophobicContact CG-CE2 4.34Å; F109-F113 WeakPolarHBondContact O-CB 3.2Å; F109-F113 WeakPolarHBondContact O-CD2 3.27Å; F109-F113 PolarHBondContact O-N 3.4Å; F109-S160 WeakPolarHBondContact CB-OG 3.28Å; F109-S160 PolarHBondContact O-OG 2.79Å; F109-I198 HydrophobicContact CE1-CD1 4.01Å
110I96.7Very high94.5Very high23 Ų2320 Ų2012%0.11810%0.1CC..Hα-helixtrans-60.1-50.8177-72.2167.3000108.9G106 F112 F113 S114 W153 V157 S160G106-I110 WeakPolarHBondContact O-CB 3.32Å; G106-I110 WeakPolarHBondContact O-CD1 3.41Å; G106-I110 WeakPolarHBondContact O-CG1 3.25Å; G106-I110 PolarHBondContact O-N 3.21Å; I110-F112 PolarHBondContact O-N 2.79Å; I110-F113 PolarHBondContact O-N 2.95Å; I110-S114 VanDerWaalsContact O-CB 3.22Å; I110-S114 WeakPolarHBondContact O-CB 3.36Å; I110-S114 PolarHBondContact O-N 3.31Å; I110-S114 PolarHBondContact O-OG 2.97Å; I110-W153 HydrophobicContact CG2-CE3 4.12Å; I110-W153 HydrophobicContact CG2-CZ3 3.69Å; I110-V157 HydrophobicContact CD1-CG2 3.99Å; I110-V157 HydrophobicContact CG1-CG2 4.21Å; I110-S160 WeakPolarHBondContact CA-OG 3.5Å; I110-S160 WeakPolarHBondContact CG1-OG 3.27Å; I110-S160 PolarHBondContact N-OG 2.91Å; I110-S160 VanDerWaalsContact N-OG 3.15Å
111G95.9Very high94.8Very high3 Ų318.5 Ų18.53%0.0319%0.094CC..Hα-helixtrans-61-41.4178.100000112.9S75 F107 S114 G115S75-G111 WeakPolarHBondContact O-CA 3.49Å; F107-G111 PolarHBondContact O-N 2.89Å; G111-S114 PolarHBondContact O-OG 3.25Å; G111-G115 PolarHBondContact O-N 2.92Å
112F94.9Very high95Very high10 Ų1018.6 Ų18.64%0.0449%0.094CC..Hα-helixtrans-61.7-53.6176174.9-100.2000112.4Y108 F109 I110 I116 I198 W248Y108-F112 VanDerWaalsContact O-CB 3.31Å; Y108-F112 WeakPolarHBondContact O-CB 3.49Å; Y108-F112 PolarHBondContact O-N 3.27Å; F109-F112 PolarHBondContact O-N 2.66Å; I110-F112 PolarHBondContact O-N 2.79Å; F112-I116 PolarHBondContact O-N 3.49Å; F112-I198 HydrophobicContact CE1-CG2 4.2Å; F112-I198 HydrophobicContact CZ-CG2 4.28Å; F112-W248 HydrophobicContact CD2-CD2 4.14Å; F112-W248 AromaticContact CD2-CE3 3.99Å; F112-W248 HydrophobicContact CD2-CE3 3.99Å; F112-W248 AromaticContact CD2-CH2 3.61Å; F112-W248 HydrophobicContact CD2-CH2 3.61Å; F112-W248 AromaticContact CD2-CZ2 3.79Å; F112-W248 HydrophobicContact CD2-CZ2 3.79Å; F112-W248 AromaticContact CD2-CZ3 3.72Å; F112-W248 HydrophobicContact CD2-CZ3 3.72Å; F112-W248 AromaticContact CE2-CD2 3.68Å; F112-W248 HydrophobicContact CE2-CD2 3.68Å; F112-W248 AromaticContact CE2-CE3 3.45Å; F112-W248 HydrophobicContact CE2-CE3 3.45Å; F112-W248 VanDerWaalsContact CE2-CE3 3.45Å; F112-W248 HydrophobicContact CE2-CG 4.35Å; F112-W248 AromaticContact CE2-CH2 3.98Å; F112-W248 HydrophobicContact CE2-CH2 3.98Å; F112-W248 HydrophobicContact CE2-CZ2 4.2Å; F112-W248 AromaticContact CE2-CZ3 3.61Å; F112-W248 HydrophobicContact CE2-CZ3 3.61Å; F112-W248 HydrophobicContact CZ-CE3 4.49Å
113F96.8Very high95Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-70.1-44.3-177.4-73-57.9000112.2F109 I110 G115 I116 F117 A156 A159 K197 I198 L201F109-F113 HydrophobicContact CB-CD2 4.2Å; F109-F113 HydrophobicContact CB-CE2 4.12Å; F109-F113 AromaticContact CD1-CE2 3.84Å; F109-F113 HydrophobicContact CD1-CE2 3.84Å; F109-F113 HydrophobicContact CD1-CZ 4.45Å; F109-F113 HydrophobicContact CG-CE2 4.34Å; F109-F113 WeakPolarHBondContact O-CB 3.2Å; F109-F113 WeakPolarHBondContact O-CD2 3.27Å; F109-F113 PolarHBondContact O-N 3.4Å; I110-F113 PolarHBondContact O-N 2.95Å; F113-G115 VanDerWaalsContact C-N 3.3Å; F113-G115 PolarHBondContact O-N 3.16Å; F113-I116 VanDerWaalsContact O-CG2 3.28Å; F113-I116 WeakPolarHBondContact O-CG2 3.4Å; F113-I116 PolarHBondContact O-N 3.32Å; F113-F117 HydrophobicContact CB-CD2 4.41Å; F113-F117 HydrophobicContact CB-CE2 3.97Å; F113-F117 HydrophobicContact CB-CZ 4.39Å; F113-F117 HydrophobicContact CD1-CZ 4.35Å; F113-F117 WeakPolarHBondContact O-CB 3.41Å; F113-F117 WeakPolarHBondContact O-CD2 3.45Å; F113-F117 WeakPolarHBondContact O-CG 3.35Å; F113-F117 PolarHBondContact O-N 3.43Å; F113-A156 HydrophobicContact CB-CB 4.11Å; F113-A159 HydrophobicContact CD1-CB 4.41Å; F113-A159 HydrophobicContact CD2-CB 3.83Å; F113-A159 HydrophobicContact CE2-CB 4.14Å; F113-A159 HydrophobicContact CG-CB 4.02Å; F113-K197 HydrophobicContact CZ-CD 4.47Å; F113-I198 HydrophobicContact CZ-CG1 4.23Å; F113-L201 HydrophobicContact CD1-CB 4.26Å; F113-L201 HydrophobicContact CD1-CD1 4.33Å; F113-L201 HydrophobicContact CE1-CB 4Å; F113-L201 HydrophobicContact CE1-CD1 4.03Å
114S97.4Very high95.1Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-63.5-39.8177.869.10000110.9S75 I110 G111 I116 F117 F118S75-S114 WeakPolarHBondContact CB-OG 3.37Å; S75-S114 WeakPolarHBondContact OG-CB 3.48Å; S75-S114 PolarHBondContact OG-OG 3.04Å; I110-S114 VanDerWaalsContact O-CB 3.22Å; I110-S114 WeakPolarHBondContact O-CB 3.36Å; I110-S114 PolarHBondContact O-N 3.31Å; I110-S114 PolarHBondContact O-OG 2.97Å; G111-S114 PolarHBondContact O-OG 3.25Å; S114-I116 PolarHBondContact O-N 3.02Å; S114-F117 PolarHBondContact O-N 3.47Å; S114-F118 WeakPolarHBondContact O-CD2 3.34Å; S114-F118 PolarHBondContact O-N 3.37Å
115G95.9Very high95Very high7 Ų714.5 Ų14.57%0.0727%0.074CC..Hα-helixtrans-54.1-54.4175.600000112.6L72 G111 F113 F118 I119L72-G115 WeakPolarHBondContact CD2-O 3.36Å; G111-G115 PolarHBondContact O-N 2.92Å; F113-G115 VanDerWaalsContact C-N 3.3Å; F113-G115 PolarHBondContact O-N 3.16Å; G115-F118 PolarHBondContact O-N 2.72Å; G115-I119 WeakPolarHBondContact O-CG1 3.47Å; G115-I119 PolarHBondContact O-N 2.92Å; G115-I119 VanDerWaalsContact O-N 3.15Å
116I96.1Very high94.9Very high0 Ų015.3 Ų15.30%08%0.075CC..Hα-helixtrans-68.3-37.7179.9-170.650000112.8F112 F113 S114 F118 I119 I120 P206 Y244F112-I116 PolarHBondContact O-N 3.49Å; F113-I116 VanDerWaalsContact O-CG2 3.28Å; F113-I116 WeakPolarHBondContact O-CG2 3.4Å; F113-I116 PolarHBondContact O-N 3.32Å; S114-I116 PolarHBondContact O-N 3.02Å; I116-F118 PolarHBondContact O-N 3.44Å; I116-I119 HydrophobicContact CD1-CB 4.34Å; I116-I119 PolarHBondContact O-N 3.5Å; I116-I120 HydrophobicContact CG1-CD1 4.21Å; I116-I120 WeakPolarHBondContact O-CG1 3.48Å; I116-I120 PolarHBondContact O-N 2.97Å; I116-P206 HydrophobicContact CD1-CB 3.56Å; I116-P206 HydrophobicContact CD1-CG 3.83Å; I116-P206 HydrophobicContact CG1-CB 3.98Å; I116-P206 HydrophobicContact CG1-CG 3.84Å; I116-Y244 HydrophobicContact CB-CE2 4.07Å; I116-Y244 HydrophobicContact CD1-CD1 3.62Å; I116-Y244 HydrophobicContact CD1-CD2 4.22Å; I116-Y244 HydrophobicContact CD1-CE1 3.28Å; I116-Y244 HydrophobicContact CD1-CE2 3.92Å; I116-Y244 HydrophobicContact CD1-CG 4.08Å; I116-Y244 VanDerWaalsContact CD1-CZ 3.45Å; I116-Y244 HydrophobicContact CG1-CE1 3.89Å; I116-Y244 HydrophobicContact CG1-CE2 4.31Å
117F97.6Very high94.7Very high22 Ų2217.5 Ų17.510%0.0968%0.082CC..Hα-helixtrans-64.3-39.1177.1-64.3-24.7000112.3F113 S114 I120 L121 T152 V155 A156 L201 L205F113-F117 HydrophobicContact CB-CD2 4.41Å; F113-F117 HydrophobicContact CB-CE2 3.97Å; F113-F117 HydrophobicContact CB-CZ 4.39Å; F113-F117 HydrophobicContact CD1-CZ 4.35Å; F113-F117 WeakPolarHBondContact O-CB 3.41Å; F113-F117 WeakPolarHBondContact O-CD2 3.45Å; F113-F117 WeakPolarHBondContact O-CG 3.35Å; F113-F117 PolarHBondContact O-N 3.43Å; S114-F117 PolarHBondContact O-N 3.47Å; F117-I120 HydrophobicContact CD1-CD1 4.32Å; F117-I120 WeakPolarHBondContact O-CB 3.39Å; F117-I120 PolarHBondContact O-N 3.15Å; F117-L121 WeakPolarHBondContact O-CG 3.05Å; F117-L121 PolarHBondContact O-N 2.7Å; F117-T152 HydrophobicContact CB-CG2 3.48Å; F117-T152 VanDerWaalsContact CB-CG2 3.48Å; F117-T152 HydrophobicContact CD2-CG2 4.17Å; F117-T152 HydrophobicContact CG-CG2 4.31Å; F117-V155 HydrophobicContact CD2-CG1 4.48Å; F117-V155 HydrophobicContact CE2-CG1 3.83Å; F117-V155 HydrophobicContact CZ-CG1 4.36Å; F117-A156 HydrophobicContact CD2-CB 4.35Å; F117-A156 HydrophobicContact CE2-CB 4.46Å; F117-L201 HydrophobicContact CE1-CB 4.36Å; F117-L201 HydrophobicContact CE1-CD2 4.47Å; F117-L201 HydrophobicContact CZ-CB 4.5Å; F117-L201 HydrophobicContact CZ-CD1 4.31Å; F117-L201 HydrophobicContact CZ-CD2 4.49Å; F117-L205 HydrophobicContact CE1-CD2 4.39Å
118F96.7Very high94.4Very high0 Ų016.9 Ų16.90%08%0.081CC..Hα-helixtrans-68.3-33.3174.4-76.3-61.1000112.8Y68 N71 L72 S114 G115 I116 L121 L122 S149 T152 W153Y68-F118 HydrophobicContact CD1-CD1 4.1Å; Y68-F118 HydrophobicContact CD1-CE1 4.23Å; N71-F118 HydrophobicContact CB-CD1 3.73Å; N71-F118 HydrophobicContact CB-CD2 3.62Å; N71-F118 HydrophobicContact CB-CE1 3.49Å; N71-F118 VanDerWaalsContact CB-CE1 3.49Å; N71-F118 HydrophobicContact CB-CE2 3.4Å; N71-F118 VanDerWaalsContact CB-CE2 3.4Å; N71-F118 HydrophobicContact CB-CG 3.82Å; N71-F118 HydrophobicContact CB-CZ 3.34Å; L72-F118 HydrophobicContact CD2-CB 4Å; L72-F118 HydrophobicContact CG-CB 4.01Å; S114-F118 WeakPolarHBondContact O-CD2 3.34Å; S114-F118 PolarHBondContact O-N 3.37Å; G115-F118 PolarHBondContact O-N 2.72Å; I116-F118 PolarHBondContact O-N 3.44Å; F118-L121 HydrophobicContact CD1-CD1 4.08Å; F118-L121 HydrophobicContact CE1-CD1 4.24Å; F118-L121 PolarHBondContact O-N 3.27Å; F118-L122 WeakPolarHBondContact O-CB 3.22Å; F118-L122 VanDerWaalsContact O-CG 3.28Å; F118-L122 WeakPolarHBondContact O-CG 3.17Å; F118-L122 PolarHBondContact O-N 3.44Å; F118-S149 WeakPolarHBondContact CE1-OG 3.25Å; F118-T152 HydrophobicContact CD2-CG2 4.47Å; F118-T152 HydrophobicContact CE1-CG2 4.14Å; F118-T152 HydrophobicContact CE2-CG2 4.06Å; F118-T152 HydrophobicContact CZ-CG2 3.88Å; F118-W153 HydrophobicContact CE2-CD2 4.46Å; F118-W153 AromaticContact CE2-CE2 3.84Å; F118-W153 HydrophobicContact CE2-CZ2 4.04Å; F118-W153 AromaticContact CE2-NE1 3.78Å; F118-W153 AromaticContact CZ-CD1 3.96Å; F118-W153 AromaticContact CZ-NE1 3.63Å
119I94.9Very high94.1Very high2 Ų216.8 Ų16.81%0.019%0.085CC..Hα-helixtrans-65-41.4171.7-67.4170.5000111.1L72 G115 I116 L122 T123 I240 M241 Y244L72-I119 HydrophobicContact CD1-CG1 4.43Å; L72-I119 HydrophobicContact CD2-CD1 4.38Å; L72-I119 HydrophobicContact CD2-CG1 3.78Å; G115-I119 WeakPolarHBondContact O-CG1 3.47Å; G115-I119 PolarHBondContact O-N 2.92Å; G115-I119 VanDerWaalsContact O-N 3.15Å; I116-I119 HydrophobicContact CD1-CB 4.34Å; I116-I119 PolarHBondContact O-N 3.5Å; I119-L122 PolarHBondContact O-N 3.43Å; I119-T123 PolarHBondContact O-N 3.06Å; I119-T123 PolarHBondContact O-OG1 2.96Å; I119-I240 HydrophobicContact CD1-CG2 4.02Å; I119-I240 HydrophobicContact CG1-CG2 3.97Å; I119-I240 HydrophobicContact CG2-CG2 4.49Å; I119-M241 HydrophobicContact CG2-CB 4.43Å; I119-M241 HydrophobicContact CG2-CE 3.49Å; I119-M241 VanDerWaalsContact CG2-CE 3.49Å; I119-M241 HydrophobicContact CG2-SD 3.63Å; I119-Y244 HydrophobicContact CD1-CD2 3.94Å; I119-Y244 HydrophobicContact CD1-CG 4.17Å
120I96Very high93.6Very high14 Ų1416.3 Ų16.37%0.0729%0.085CC..Hα-helixtrans-60.6-49.5173.6-73.3165.2000110.4I116 F117 L122 T123 I124 L205 P206 V209I116-I120 HydrophobicContact CG1-CD1 4.21Å; I116-I120 WeakPolarHBondContact O-CG1 3.48Å; I116-I120 PolarHBondContact O-N 2.97Å; F117-I120 HydrophobicContact CD1-CD1 4.32Å; F117-I120 WeakPolarHBondContact O-CB 3.39Å; F117-I120 PolarHBondContact O-N 3.15Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 3.32Å; I120-T123 WeakPolarHBondContact O-CA 3.13Å; I120-T123 WeakPolarHBondContact O-CB 3.28Å; I120-T123 PolarHBondContact O-N 3.37Å; I120-I124 HydrophobicContact CG2-CD1 3.77Å; I120-I124 HydrophobicContact CG2-CG1 4.47Å; I120-I124 WeakPolarHBondContact O-CG1 3.23Å; I120-I124 PolarHBondContact O-N 3.4Å; I120-L205 HydrophobicContact CD1-CD2 3.97Å; I120-L205 HydrophobicContact CD1-CG 4Å; I120-P206 HydrophobicContact CD1-CB 3.97Å; I120-P206 HydrophobicContact CG1-CB 3.95Å; I120-V209 HydrophobicContact CG2-CG1 4.22Å; I120-V209 HydrophobicContact CG2-CG2 4.05Å
121L95.8Very high93.1Very high33 Ų3317.1 Ų17.117%0.1739%0.09CC..Hα-helixtrans-61.5-39178.5-74177.7000112.5Y68 F117 F118 T123 I124 D125 T152Y68-L121 HydrophobicContact CD1-CD1 4.41Å; Y68-L121 HydrophobicContact CD2-CB 4Å; Y68-L121 HydrophobicContact CE1-CB 4.45Å; Y68-L121 HydrophobicContact CE1-CD1 3.97Å; Y68-L121 HydrophobicContact CE2-CB 3.82Å; Y68-L121 HydrophobicContact CG-CB 4.36Å; F117-L121 WeakPolarHBondContact O-CG 3.05Å; F117-L121 PolarHBondContact O-N 2.7Å; F118-L121 HydrophobicContact CD1-CD1 4.08Å; F118-L121 HydrophobicContact CE1-CD1 4.24Å; F118-L121 PolarHBondContact O-N 3.27Å; L121-T123 VanDerWaalsContact C-N 3.31Å; L121-T123 PolarHBondContact O-N 2.82Å; L121-I124 PolarHBondContact O-N 3.11Å; L121-D125 VanDerWaalsContact O-CB 3.23Å; L121-D125 WeakPolarHBondContact O-CB 3.36Å; L121-D125 PolarHBondContact O-N 2.86Å; L121-T152 HydrophobicContact CD1-CG2 4.29Å; L121-T152 VanDerWaalsContact CD1-OG1 3.27Å; L121-T152 WeakPolarHBondContact CD1-OG1 3.37Å
122L93.1Very high92.6Very high1 Ų121.1 Ų21.11%0.00511%0.108CC..Hα-helixtrans-61.3-40.7172.5-78.6168000111.9T65 Y68 L69 L72 F118 I119 I120 D125 R126 I237T65-L122 HydrophobicContact CG2-CD2 3.73Å; Y68-L122 HydrophobicContact CD2-CD2 4.34Å; L69-L122 HydrophobicContact CD2-CD1 3.87Å; L69-L122 HydrophobicContact CD2-CD2 4.14Å; L69-L122 HydrophobicContact CG-CD1 4.48Å; L69-L122 HydrophobicContact CG-CD2 3.98Å; L72-L122 HydrophobicContact CD1-CD1 3.38Å; L72-L122 HydrophobicContact CG-CD1 4.38Å; F118-L122 WeakPolarHBondContact O-CB 3.22Å; F118-L122 VanDerWaalsContact O-CG 3.28Å; F118-L122 WeakPolarHBondContact O-CG 3.17Å; F118-L122 PolarHBondContact O-N 3.44Å; I119-L122 PolarHBondContact O-N 3.43Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 3.32Å; L122-D125 PolarHBondContact O-N 3.26Å; L122-R126 WeakPolarHBondContact O-CG 3.08Å; L122-R126 PolarHBondContact O-N 3.38Å; L122-I237 HydrophobicContact CB-CD1 4.23Å; L122-I237 HydrophobicContact CB-CG2 4.3Å; L122-I237 HydrophobicContact CD2-CD1 4.26Å
123T92.9Very high91.9Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-66.1-44.4178.7-56.70000111.2I119 I120 L121 R126 Y127 V209 C213 Y214 M241I119-T123 PolarHBondContact O-N 3.06Å; I119-T123 PolarHBondContact O-OG1 2.96Å; I120-T123 WeakPolarHBondContact O-CA 3.13Å; I120-T123 WeakPolarHBondContact O-CB 3.28Å; I120-T123 PolarHBondContact O-N 3.37Å; L121-T123 VanDerWaalsContact C-N 3.31Å; L121-T123 PolarHBondContact O-N 2.82Å; T123-R126 PolarHBondContact O-N 3.45Å; T123-Y127 WeakPolarHBondContact O-CB 3.36Å; T123-Y127 PolarHBondContact O-N 3.09Å; T123-V209 HydrophobicContact CG2-CG1 4.09Å; T123-C213 HydrophobicContact CG2-CB 3.73Å; T123-Y214 HydrophobicContact CG2-CD2 4.42Å; T123-Y214 HydrophobicContact CG2-CE2 3.79Å; T123-M241 HydrophobicContact CG2-CE 4.27Å; T123-M241 WeakPolarHBondContact OG1-CE 3.44Å
124I93.3Very high91.1Very high62 Ų6229.3 Ų29.332%0.31817%0.165SC..Hα-helixtrans-65.3-44.6175.9-64.7169.5000110.9I120 L121 R126 Y127 L128 V209I120-I124 HydrophobicContact CG2-CD1 3.77Å; I120-I124 HydrophobicContact CG2-CG1 4.47Å; I120-I124 WeakPolarHBondContact O-CG1 3.23Å; I120-I124 PolarHBondContact O-N 3.4Å; L121-I124 PolarHBondContact O-N 3.11Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 2.93Å; I124-Y127 WeakPolarHBondContact O-CB 3.22Å; I124-Y127 PolarHBondContact O-N 3.44Å; I124-Y127 VanDerWaalsContact O-N 3.14Å; I124-L128 HydrophobicContact CG2-CD1 4.06Å; I124-L128 HydrophobicContact CG2-CG 4.29Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 2.68Å; I124-V209 HydrophobicContact CG1-CG1 4.09Å
125D91.3Very high90.2Very high3 Ų335.3 Ų35.32%0.01619%0.191CC..Hα-helixtrans-56.9-41.4175.916875.3000111.7T65 Y68 L121 L122 A129 R140T65-D125 PolarHBondContact OG1-OD2 3.1Å; Y68-D125 HydrophobicContact CD2-CB 4.3Å; Y68-D125 HydrophobicContact CE2-CB 4.12Å; L121-D125 VanDerWaalsContact O-CB 3.23Å; L121-D125 WeakPolarHBondContact O-CB 3.36Å; L121-D125 PolarHBondContact O-N 2.86Å; L122-D125 PolarHBondContact O-N 3.26Å; D125-A129 WeakPolarHBondContact O-CB 3.21Å; D125-A129 PolarHBondContact O-N 2.87Å; D125-A129 VanDerWaalsContact O-N 3.1Å; D125-R140 PolarHBondContact O-NE 3Å; D125-R140 IonicContact OD1-CZ 3.19Å; D125-R140 IonicContact OD1-NE 2.7Å; D125-R140 PolarHBondContact OD1-NE 3.37Å; D125-R140 IonicContact OD1-NH2 2.82Å; D125-R140 PolarHBondContact OD1-NH2 3.43Å; D125-R140 IonicContact OD2-NH2 3.38Å; D125-R140 PolarHBondContact OD2-NH2 3Å
126R89.8Confident89.3Confident37 Ų3735.3 Ų35.314%0.1419%0.19CC..Hα-helixtrans-68.1-44.2173.8-71.9-56.194.1-166.2-0.4112.9T65 L122 T123 I124 A129 V130 I237T65-R126 PolarHBondContact OG1-NH2 3.3Å; L122-R126 WeakPolarHBondContact O-CG 3.08Å; L122-R126 PolarHBondContact O-N 3.38Å; T123-R126 PolarHBondContact O-N 3.45Å; I124-R126 VanDerWaalsContact C-N 3.28Å; I124-R126 PolarHBondContact O-N 2.93Å; R126-A129 PolarHBondContact O-N 2.83Å; R126-V130 WeakPolarHBondContact O-CG2 3.47Å; R126-V130 PolarHBondContact O-N 2.87Å; R126-I237 HydrophobicContact CG-CB 4.25Å; R126-I237 HydrophobicContact CG-CD1 3.13Å; R126-I237 HydrophobicContact CG-CG1 4.22Å; R126-I237 HydrophobicContact CG-CG2 4.32Å
127Y90.3Very high88.3Confident49 Ų4942.5 Ų42.519%0.19223%0.228CC..Hα-helixtrans-56.5-51.3178173.3-99.6000111T123 I124 A129 V130 V131 H132 C213 I217T123-Y127 WeakPolarHBondContact O-CB 3.36Å; T123-Y127 PolarHBondContact O-N 3.09Å; I124-Y127 WeakPolarHBondContact O-CB 3.22Å; I124-Y127 PolarHBondContact O-N 3.44Å; I124-Y127 VanDerWaalsContact O-N 3.14Å; Y127-A129 VanDerWaalsContact C-N 3.33Å; Y127-A129 PolarHBondContact O-N 2.81Å; Y127-V130 PolarHBondContact O-N 2.93Å; Y127-V130 VanDerWaalsContact O-N 3.16Å; Y127-V131 HydrophobicContact CD2-CB 4.32Å; Y127-V131 HydrophobicContact CD2-CG2 3.7Å; Y127-V131 HydrophobicContact CE2-CB 4.03Å; Y127-V131 HydrophobicContact CE2-CG1 4.23Å; Y127-V131 HydrophobicContact CE2-CG2 3.59Å; Y127-V131 HydrophobicContact CG-CG2 4.45Å; Y127-V131 WeakPolarHBondContact O-CB 3.37Å; Y127-V131 PolarHBondContact O-N 3.4Å; Y127-H132 AromaticContact CE1-CD2 3.69Å; Y127-H132 AromaticContact CE1-NE2 3.81Å; Y127-C213 HydrophobicContact CD2-CB 3.94Å; Y127-C213 WeakPolarHBondContact CD2-O 3.45Å; Y127-C213 HydrophobicContact CG-CB 4.14Å; Y127-I217 HydrophobicContact CD2-CG1 4.19Å
128L89.3Confident87.4Confident40 Ų4049.9 Ų49.921%0.20926%0.26CS..Hα-helixtrans-59.5-43.4177.6-67.8175.9000111.5I124 V130 H132 F135I124-L128 HydrophobicContact CG2-CD1 4.06Å; I124-L128 HydrophobicContact CG2-CG 4.29Å; I124-L128 WeakPolarHBondContact O-CG 3.41Å; I124-L128 PolarHBondContact O-N 2.68Å; L128-V130 VanDerWaalsContact C-N 3.28Å; L128-V130 PolarHBondContact O-N 3.24Å; L128-H132 HydrophobicContact CD2-CB 4.44Å; L128-H132 CarbonylContact O-C 3.06Å; L128-H132 WeakPolarHBondContact O-CA 3.45Å; L128-H132 PolarHBondContact O-N 3.4Å; L128-F135 HydrophobicContact CD2-CD1 4.32Å; L128-F135 HydrophobicContact CD2-CE1 4.49Å
129A86.8Confident86.5Confident25 Ų2551 Ų5121%0.20727%0.27CS..Hα-helixtrans-63.4-30.5178.800000114D125 R126 Y127D125-A129 WeakPolarHBondContact O-CB 3.21Å; D125-A129 PolarHBondContact O-N 2.87Å; D125-A129 VanDerWaalsContact O-N 3.1Å; R126-A129 PolarHBondContact O-N 2.83Å; Y127-A129 VanDerWaalsContact C-N 3.33Å; Y127-A129 PolarHBondContact O-N 2.81Å
130V84.8Confident86.1Confident12 Ų1254 Ų547%0.07328%0.281CS..Hα-helixtrans-93.6-47.7-176.5175.50000111.9R126 Y127 L128 I217 T220 R230 V234R126-V130 WeakPolarHBondContact O-CG2 3.47Å; R126-V130 PolarHBondContact O-N 2.87Å; Y127-V130 PolarHBondContact O-N 2.93Å; Y127-V130 VanDerWaalsContact O-N 3.16Å; L128-V130 VanDerWaalsContact C-N 3.28Å; L128-V130 PolarHBondContact O-N 3.24Å; V130-I217 HydrophobicContact CB-CG1 4.37Å; V130-I217 HydrophobicContact CG1-CG1 4.48Å; V130-I217 HydrophobicContact CG1-CG2 4.35Å; V130-T220 HydrophobicContact CG1-CG2 4.11Å; V130-R230 HydrophobicContact CG2-CG 3.99Å; V130-V234 HydrophobicContact CG2-CG2 4.08Å
131V86.6Confident85.7Confident40 Ų4055.9 Ų55.924%0.24229%0.293CS..Hα-helixtrans-89.2-35.4-171.6-176.80000111.5Y127 I217Y127-V131 HydrophobicContact CD2-CB 4.32Å; Y127-V131 HydrophobicContact CD2-CG2 3.7Å; Y127-V131 HydrophobicContact CE2-CB 4.03Å; Y127-V131 HydrophobicContact CE2-CG1 4.23Å; Y127-V131 HydrophobicContact CE2-CG2 3.59Å; Y127-V131 HydrophobicContact CG-CG2 4.45Å; Y127-V131 WeakPolarHBondContact O-CB 3.37Å; Y127-V131 PolarHBondContact O-N 3.4Å; V131-I217 HydrophobicContact CG2-CG1 4.36Å
132H85.1Confident85.4Confident86 Ų8657.4 Ų57.440%0.39830%0.303SS..  trans-121.751.7-175.5-61.6-70.6000112.1Y127 L128 V134 F135 A136Y127-H132 AromaticContact CE1-CD2 3.69Å; Y127-H132 AromaticContact CE1-NE2 3.81Å; L128-H132 HydrophobicContact CD2-CB 4.44Å; L128-H132 CarbonylContact O-C 3.06Å; L128-H132 WeakPolarHBondContact O-CA 3.45Å; L128-H132 PolarHBondContact O-N 3.4Å; H132-V134 VanDerWaalsContact C-N 3.27Å; H132-V134 PolarHBondContact O-N 2.93Å; H132-V134 VanDerWaalsContact O-N 3.13Å; H132-F135 HydrophobicContact CB-CB 4.26Å; H132-F135 PolarHBondContact O-N 2.85Å; H132-F135 VanDerWaalsContact O-N 3.11Å; H132-A136 WeakPolarHBondContact O-CB 3.37Å; H132-A136 PolarHBondContact O-N 3.11Å
133A80.4Confident85.4Confident57 Ų5762.2 Ų62.247%0.47133%0.333SS..Hα-helixtrans-54-35.9-17200000114.8A136 L137A133-A136 WeakPolarHBondContact O-CB 3.37Å; A133-L137 PolarHBondContact O-N 3.46Å
134V78.3Confident85.3Confident126 Ų12667.8 Ų67.876%0.76436%0.358SS*.Hα-helixtrans-69.7-44.9178.8-178.80000111.7H132 A136 L137H132-V134 VanDerWaalsContact C-N 3.27Å; H132-V134 PolarHBondContact O-N 2.93Å; H132-V134 VanDerWaalsContact O-N 3.13Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-L137 PolarHBondContact O-N 3.46Å
135F78.3Confident85.3Confident125 Ų12564.9 Ų64.955%0.54834%0.342SS..Hα-helixtrans-66-38.9175.4178.7-100.4000111.5L128 H132 L137 K138 A139L128-F135 HydrophobicContact CD2-CD1 4.32Å; L128-F135 HydrophobicContact CD2-CE1 4.49Å; H132-F135 HydrophobicContact CB-CB 4.26Å; H132-F135 PolarHBondContact O-N 2.85Å; H132-F135 VanDerWaalsContact O-N 3.11Å; F135-L137 VanDerWaalsContact C-N 3.25Å; F135-L137 PolarHBondContact O-N 2.89Å; F135-K138 PolarHBondContact O-N 3.37Å; F135-K138 VanDerWaalsContact O-N 3.08Å; F135-A139 HydrophobicContact CD1-CB 4.07Å; F135-A139 HydrophobicContact CE1-CB 3.63Å; F135-A139 HydrophobicContact CZ-CB 3.92Å; F135-A139 PolarHBondContact O-N 3.12Å
136A77.2Confident85.4Confident7 Ų768.2 Ų68.26%0.05836%0.363CS..Hα-helixtrans-58.2-32.8178.800000113.6H132 A133 V134 K138 R140H132-A136 WeakPolarHBondContact O-CB 3.37Å; H132-A136 PolarHBondContact O-N 3.11Å; A133-A136 WeakPolarHBondContact O-CB 3.37Å; V134-A136 VanDerWaalsContact C-N 3.33Å; A136-K138 VanDerWaalsContact C-N 3.28Å; A136-K138 PolarHBondContact O-N 3.31Å; A136-R140 HydrophobicContact CB-CG 4.26Å; A136-R140 VanDerWaalsContact O-CB 3.22Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 VanDerWaalsContact O-CG 3.32Å; A136-R140 WeakPolarHBondContact O-CG 3.49Å; A136-R140 PolarHBondContact O-N 3.2Å; A136-R140 VanDerWaalsContact O-N 3.08Å
137L76.8Confident85.8Confident152 Ų15270 Ų7080%0.79638%0.377SS*.Hα-helixtrans-61.4-35.3175.9-80.4154.3000112.7A133 V134 F135A133-L137 PolarHBondContact O-N 3.46Å; V134-L137 PolarHBondContact O-N 3.46Å; F135-L137 VanDerWaalsContact C-N 3.25Å; F135-L137 PolarHBondContact O-N 2.89Å
138K77.5Confident86Confident176 Ų17669.5 Ų69.577%0.76538%0.38SS*.Hα-helixtrans-88.5-36.8-179.1-169.9176.1179.9179.30112.6F135 A136F135-K138 PolarHBondContact O-N 3.37Å; F135-K138 VanDerWaalsContact O-N 3.08Å; A136-K138 VanDerWaalsContact C-N 3.28Å; A136-K138 PolarHBondContact O-N 3.31Å
139A78Confident86.4Confident25 Ų2567.9 Ų67.921%0.20737%0.372CS..Hα-helixtrans-87.9-25.1-172.200000114.5F135 T141 F144F135-A139 HydrophobicContact CD1-CB 4.07Å; F135-A139 HydrophobicContact CE1-CB 3.63Å; F135-A139 HydrophobicContact CZ-CB 3.92Å; F135-A139 PolarHBondContact O-N 3.12Å; A139-T141 VanDerWaalsContact C-N 3.29Å; A139-T141 PolarHBondContact O-N 3.43Å; A139-T141 VanDerWaalsContact O-N 3.12Å; A139-F144 WeakPolarHBondContact O-CD2 3.42Å
140R86.1Confident86.9Confident64 Ų6470.7 Ų70.724%0.24239%0.386CS..  trans-91.848.7-171.3-60.3173.968.8-115-26.2113.5M64 T65 D125 A136M64-R140 VanDerWaalsContact SD-CA 3.59Å; M64-R140 HydrophobicContact SD-CB 3.96Å; M64-R140 HydrophobicContact SD-CG 4.09Å; T65-R140 PolarHBondContact OG1-NH2 2.84Å; T65-R140 VanDerWaalsContact OG1-NH2 3.13Å; D125-R140 PolarHBondContact O-NE 3Å; D125-R140 IonicContact OD1-CZ 3.19Å; D125-R140 IonicContact OD1-NE 2.7Å; D125-R140 PolarHBondContact OD1-NE 3.37Å; D125-R140 IonicContact OD1-NH2 2.82Å; D125-R140 PolarHBondContact OD1-NH2 3.43Å; D125-R140 IonicContact OD2-NH2 3.38Å; D125-R140 PolarHBondContact OD2-NH2 3Å; A136-R140 HydrophobicContact CB-CG 4.26Å; A136-R140 VanDerWaalsContact O-CB 3.22Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 VanDerWaalsContact O-CG 3.32Å; A136-R140 WeakPolarHBondContact O-CG 3.49Å; A136-R140 PolarHBondContact O-N 3.2Å; A136-R140 VanDerWaalsContact O-N 3.08Å
141T88.3Confident87.6Confident54 Ų5474.6 Ų74.633%0.33141%0.406SS..  trans-83.9156.6175.773.60000111.4A139 T143 F144 G145A139-T141 VanDerWaalsContact C-N 3.29Å; A139-T141 PolarHBondContact O-N 3.43Å; A139-T141 VanDerWaalsContact O-N 3.12Å; T141-T143 VanDerWaalsContact C-N 3.26Å; T141-T143 PolarHBondContact O-N 2.97Å; T141-F144 HydrophobicContact CG2-CD2 4.35Å; T141-F144 PolarHBondContact O-N 3.48Å; T141-F144 WeakPolarHBondContact OG1-CD2 3.29Å; T141-F144 PolarHBondContact OG1-N 3.44Å; T141-G145 PolarHBondContact O-N 3.34Å; T141-G145 VanDerWaalsContact O-N 3.08Å
142V89.9Confident88.1Confident64 Ų6473.4 Ų73.439%0.38840%0.399SS..Hα-helixtrans-58.2-41.4175.2170.10000110.5I67 F144 G145 V146I67-V142 HydrophobicContact CD1-CB 4.2Å; I67-V142 HydrophobicContact CD1-CG1 3.75Å; I67-V142 VanDerWaalsContact CD1-O 3.25Å; I67-V142 WeakPolarHBondContact CD1-O 3.28Å; V142-F144 PolarHBondContact O-N 2.91Å; V142-G145 WeakPolarHBondContact O-CA 3.48Å; V142-G145 PolarHBondContact O-N 2.82Å; V142-G145 VanDerWaalsContact O-N 3.11Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 2.87Å
143T91.4Very high88.7Confident102 Ų10271.7 Ų71.763%0.62639%0.389SS*.Hα-helixtrans-59.5-47.7179-45.40000112.2T141 G145 V146 V147T141-T143 VanDerWaalsContact C-N 3.26Å; T141-T143 PolarHBondContact O-N 2.97Å; T143-G145 VanDerWaalsContact C-N 3.29Å; T143-G145 PolarHBondContact O-N 2.79Å; T143-V146 PolarHBondContact O-N 2.71Å; T143-V147 WeakPolarHBondContact O-CG2 2.91Å; T143-V147 PolarHBondContact O-N 2.85Å
144F91.8Very high89.6Confident118 Ų11872.4 Ų72.452%0.51839%0.387SS..Hα-helixtrans-62.9-37.5175.1-79-62.2000111.7A139 T141 V142 V147 T148A139-F144 WeakPolarHBondContact O-CD2 3.42Å; T141-F144 HydrophobicContact CG2-CD2 4.35Å; T141-F144 PolarHBondContact O-N 3.48Å; T141-F144 WeakPolarHBondContact OG1-CD2 3.29Å; T141-F144 PolarHBondContact OG1-N 3.44Å; V142-F144 PolarHBondContact O-N 2.91Å; F144-V147 PolarHBondContact O-N 3.48Å; F144-T148 WeakPolarHBondContact O-CB 3.31Å; F144-T148 VanDerWaalsContact O-CG2 3.3Å; F144-T148 WeakPolarHBondContact O-CG2 3.46Å; F144-T148 PolarHBondContact O-N 3.41Å; F144-T148 PolarHBondContact O-OG1 3.49Å
145G92.9Very high90.5Very high0 Ų069.7 Ų69.70%037%0.371CS..Hα-helixtrans-58.4-45.5172.500000113.3T141 V142 T143 T148 S149T141-G145 PolarHBondContact O-N 3.34Å; T141-G145 VanDerWaalsContact O-N 3.08Å; V142-G145 WeakPolarHBondContact O-CA 3.48Å; V142-G145 PolarHBondContact O-N 2.82Å; V142-G145 VanDerWaalsContact O-N 3.11Å; T143-G145 VanDerWaalsContact C-N 3.29Å; T143-G145 PolarHBondContact O-N 2.79Å; G145-T148 WeakPolarHBondContact CA-OG1 3.41Å; G145-T148 PolarHBondContact O-OG1 3.08Å; G145-S149 WeakPolarHBondContact O-CB 3.43Å; G145-S149 PolarHBondContact O-N 3.47Å; G145-S149 PolarHBondContact O-OG 2.95Å; G145-S149 VanDerWaalsContact O-OG 3.12Å
146V94.9Very high91.4Very high73 Ų7363.8 Ų63.844%0.44235%0.345SS..Hα-helixtrans-64.5-48.6177.1176.70000111.3I67 V142 T143 T148 S149 V150I67-V146 HydrophobicContact CD1-CG2 3.99Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 2.87Å; T143-V146 PolarHBondContact O-N 2.71Å; V146-T148 PolarHBondContact O-N 3.17Å; V146-S149 WeakPolarHBondContact O-CB 3.49Å; V146-S149 PolarHBondContact O-N 3.12Å; V146-V150 HydrophobicContact CG1-CG2 4.49Å; V146-V150 WeakPolarHBondContact O-CG2 3.5Å; V146-V150 PolarHBondContact O-N 2.94Å
147V96.1Very high92.4Very high74 Ų7466.3 Ų66.345%0.44836%0.359SS..Hα-helixtrans-60.3-47.1-178.9172.40000111T143 F144 S149 V150 I151T143-V147 WeakPolarHBondContact O-CG2 2.91Å; T143-V147 PolarHBondContact O-N 2.85Å; F144-V147 PolarHBondContact O-N 3.48Å; V147-S149 VanDerWaalsContact C-N 3.34Å; V147-S149 PolarHBondContact O-N 3.45Å; V147-V150 PolarHBondContact O-N 3.48Å; V147-I151 HydrophobicContact CG1-CD1 3.95Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.3Å
148T96.3Very high93.3Very high40 Ų4065.7 Ų65.725%0.24535%0.35CS..Hα-helixtrans-64.6-36.5177.551.10000112.4Y68 F144 G145 V146 I151 T152Y68-T148 WeakPolarHBondContact CE1-OG1 3.23Å; Y68-T148 WeakPolarHBondContact OH-CB 3.38Å; Y68-T148 PolarHBondContact OH-OG1 3.07Å; F144-T148 WeakPolarHBondContact O-CB 3.31Å; F144-T148 VanDerWaalsContact O-CG2 3.3Å; F144-T148 WeakPolarHBondContact O-CG2 3.46Å; F144-T148 PolarHBondContact O-N 3.41Å; F144-T148 PolarHBondContact O-OG1 3.49Å; G145-T148 WeakPolarHBondContact CA-OG1 3.41Å; G145-T148 PolarHBondContact O-OG1 3.08Å; V146-T148 PolarHBondContact O-N 3.17Å; T148-I151 PolarHBondContact O-N 3.01Å; T148-T152 WeakPolarHBondContact O-CB 3.43Å; T148-T152 PolarHBondContact O-N 3.21Å; T148-T152 PolarHBondContact O-OG1 3.33Å
149S97.1Very high94.2Very high5 Ų558 Ų584%0.03532%0.32CS..Hα-helixtrans-61.9-45.6172-73.40000112.4N71 F118 G145 V146 V147 I151 T152 W153N71-S149 PolarHBondContact ND2-OG 2.7Å; F118-S149 WeakPolarHBondContact CE1-OG 3.25Å; G145-S149 WeakPolarHBondContact O-CB 3.43Å; G145-S149 PolarHBondContact O-N 3.47Å; G145-S149 PolarHBondContact O-OG 2.95Å; G145-S149 VanDerWaalsContact O-OG 3.12Å; V146-S149 WeakPolarHBondContact O-CB 3.49Å; V146-S149 PolarHBondContact O-N 3.12Å; V147-S149 VanDerWaalsContact C-N 3.34Å; V147-S149 PolarHBondContact O-N 3.45Å; S149-I151 PolarHBondContact O-N 3.06Å; S149-T152 WeakPolarHBondContact O-CB 3.48Å; S149-T152 PolarHBondContact O-N 3.42Å; S149-T152 VanDerWaalsContact O-N 3.15Å; S149-W153 PolarHBondContact O-N 3.01Å
150V97.9Very high95Very high85 Ų8556.8 Ų56.852%0.51531%0.31SS..Hα-helixtrans-60.3-46.7178.1171.80000110.8V146 V147 T152 W153 V154V146-V150 HydrophobicContact CG1-CG2 4.49Å; V146-V150 WeakPolarHBondContact O-CG2 3.5Å; V146-V150 PolarHBondContact O-N 2.94Å; V147-V150 PolarHBondContact O-N 3.48Å; V150-T152 VanDerWaalsContact C-N 3.26Å; V150-T152 PolarHBondContact O-N 3.04Å; V150-W153 PolarHBondContact O-N 3.27Å; V150-V154 WeakPolarHBondContact O-CG2 3Å; V150-V154 PolarHBondContact O-N 3.22Å
151I98Very high95.3Very high94 Ų9457 Ų5748%0.48232%0.315SS..Hα-helixtrans-58.6-42.4175.7-66.2166.5000110.4V147 T148 S149 W153 V154 V155V147-I151 HydrophobicContact CG1-CD1 3.95Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.3Å; T148-I151 PolarHBondContact O-N 3.01Å; S149-I151 PolarHBondContact O-N 3.06Å; I151-W153 PolarHBondContact O-N 3.45Å; I151-V154 PolarHBondContact O-N 3.21Å; I151-V155 HydrophobicContact CG2-CG2 4.27Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.19Å; I151-V155 PolarHBondContact O-N 3.3Å
152T98Very high95.5Very high15 Ų1555.6 Ų55.69%0.09231%0.307CS..Hα-helixtrans-62.9-41.7179.9-58.50000112.3F117 F118 L121 T148 S149 V150 V155 A156F117-T152 HydrophobicContact CB-CG2 3.48Å; F117-T152 VanDerWaalsContact CB-CG2 3.48Å; F117-T152 HydrophobicContact CD2-CG2 4.17Å; F117-T152 HydrophobicContact CG-CG2 4.31Å; F118-T152 HydrophobicContact CD2-CG2 4.47Å; F118-T152 HydrophobicContact CE1-CG2 4.14Å; F118-T152 HydrophobicContact CE2-CG2 4.06Å; F118-T152 HydrophobicContact CZ-CG2 3.88Å; L121-T152 HydrophobicContact CD1-CG2 4.29Å; L121-T152 VanDerWaalsContact CD1-OG1 3.27Å; L121-T152 WeakPolarHBondContact CD1-OG1 3.37Å; T148-T152 WeakPolarHBondContact O-CB 3.43Å; T148-T152 PolarHBondContact O-N 3.21Å; T148-T152 PolarHBondContact O-OG1 3.33Å; S149-T152 WeakPolarHBondContact O-CB 3.48Å; S149-T152 PolarHBondContact O-N 3.42Å; S149-T152 VanDerWaalsContact O-N 3.15Å; V150-T152 VanDerWaalsContact C-N 3.26Å; V150-T152 PolarHBondContact O-N 3.04Å; T152-V155 PolarHBondContact O-N 2.82Å; T152-A156 WeakPolarHBondContact O-CB 3.36Å; T152-A156 PolarHBondContact O-N 3.26Å
153W98.1Very high95.4Very high49 Ų4952.6 Ų52.619%0.18629%0.289CS..Hα-helixtrans-61.6-45.4174-79.9109.8000111.9N71 I74 F78 I110 F118 S149 V150 I151 V155 A156 V157N71-W153 PolarHBondContact OD1-NE1 3.17Å; I74-W153 HydrophobicContact CB-CH2 4.48Å; I74-W153 HydrophobicContact CB-CZ2 4.14Å; I74-W153 HydrophobicContact CG2-CH2 3.82Å; I74-W153 HydrophobicContact CG2-CZ2 3.68Å; F78-W153 AromaticContact CD2-CH2 3.58Å; F78-W153 HydrophobicContact CD2-CH2 3.58Å; F78-W153 AromaticContact CD2-CZ3 3.68Å; F78-W153 HydrophobicContact CD2-CZ3 3.68Å; F78-W153 AromaticContact CE2-CH2 3.52Å; F78-W153 HydrophobicContact CE2-CH2 3.52Å; F78-W153 HydrophobicContact CE2-CZ2 4.44Å; F78-W153 AromaticContact CE2-CZ3 3.56Å; F78-W153 HydrophobicContact CE2-CZ3 3.56Å; I110-W153 HydrophobicContact CG2-CE3 4.12Å; I110-W153 HydrophobicContact CG2-CZ3 3.69Å; F118-W153 HydrophobicContact CE2-CD2 4.46Å; F118-W153 AromaticContact CE2-CE2 3.84Å; F118-W153 HydrophobicContact CE2-CZ2 4.04Å; F118-W153 AromaticContact CE2-NE1 3.78Å; F118-W153 AromaticContact CZ-CD1 3.96Å; F118-W153 AromaticContact CZ-NE1 3.63Å; S149-W153 PolarHBondContact O-N 3.01Å; V150-W153 PolarHBondContact O-N 3.27Å; I151-W153 PolarHBondContact O-N 3.45Å; W153-V155 VanDerWaalsContact C-N 3.35Å; W153-V155 PolarHBondContact O-N 3.17Å; W153-A156 PolarHBondContact O-N 3Å; W153-V157 WeakPolarHBondContact O-CG2 3.03Å; W153-V157 PolarHBondContact O-N 3.23Å
154V98.1Very high95.4Very high72 Ų7249.5 Ų49.544%0.43627%0.269SS..Hα-helixtrans-59-47.6176.6172.60000110.5V150 I151 A156 V157 F158V150-V154 WeakPolarHBondContact O-CG2 3Å; V150-V154 PolarHBondContact O-N 3.22Å; I151-V154 PolarHBondContact O-N 3.21Å; V154-A156 PolarHBondContact O-N 3.49Å; V154-V157 PolarHBondContact O-N 3.14Å; V154-F158 HydrophobicContact CG1-CD2 3.62Å; V154-F158 HydrophobicContact CG1-CE2 3.5Å; V154-F158 VanDerWaalsContact CG1-CE2 3.5Å; V154-F158 WeakPolarHBondContact O-CD2 3.38Å; V154-F158 PolarHBondContact O-N 3.43Å
155V97.9Very high95.4Very high70 Ų7048.6 Ų48.642%0.42427%0.268SS..Hα-helixtrans-61.7-41.4177.2174.10000111.7F117 I151 T152 W153 F158 A159F117-V155 HydrophobicContact CD2-CG1 4.48Å; F117-V155 HydrophobicContact CE2-CG1 3.83Å; F117-V155 HydrophobicContact CZ-CG1 4.36Å; I151-V155 HydrophobicContact CG2-CG2 4.27Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.19Å; I151-V155 PolarHBondContact O-N 3.3Å; T152-V155 PolarHBondContact O-N 2.82Å; W153-V155 VanDerWaalsContact C-N 3.35Å; W153-V155 PolarHBondContact O-N 3.17Å; V155-F158 PolarHBondContact O-N 3.26Å; V155-A159 WeakPolarHBondContact O-CB 3.43Å; V155-A159 PolarHBondContact O-N 3.46Å
156A97.6Very high95.3Very high0 Ų049.8 Ų49.80%027%0.273CS..Hα-helixtrans-63-41.4176.700000112.2F113 F117 T152 W153 V154 A159 S160F113-A156 HydrophobicContact CB-CB 4.11Å; F117-A156 HydrophobicContact CD2-CB 4.35Å; F117-A156 HydrophobicContact CE2-CB 4.46Å; T152-A156 WeakPolarHBondContact O-CB 3.36Å; T152-A156 PolarHBondContact O-N 3.26Å; W153-A156 PolarHBondContact O-N 3Å; V154-A156 PolarHBondContact O-N 3.49Å; A156-A159 PolarHBondContact O-N 2.94Å; A156-S160 WeakPolarHBondContact O-CB 3.43Å; A156-S160 PolarHBondContact O-N 3.4Å; A156-S160 VanDerWaalsContact O-N 3.1Å; A156-S160 PolarHBondContact O-OG 3.41Å
157V97.2Very high95Very high61 Ų6146.6 Ų46.637%0.3725%0.254SS..Hα-helixtrans-61.3-50173.5172.30000110.4I110 W153 V154 A159 S160 L161I110-V157 HydrophobicContact CD1-CG2 3.99Å; I110-V157 HydrophobicContact CG1-CG2 4.21Å; W153-V157 WeakPolarHBondContact O-CG2 3.03Å; W153-V157 PolarHBondContact O-N 3.23Å; V154-V157 PolarHBondContact O-N 3.14Å; V157-A159 VanDerWaalsContact C-N 3.35Å; V157-A159 PolarHBondContact O-N 3.36Å; V157-S160 WeakPolarHBondContact O-CA 3.24Å; V157-S160 WeakPolarHBondContact O-CB 3.25Å; V157-S160 PolarHBondContact O-N 3.23Å; V157-L161 WeakPolarHBondContact O-CG 2.98Å; V157-L161 PolarHBondContact O-N 3.12Å; V157-L161 VanDerWaalsContact O-N 3.09Å
158F96.7Very high94.6Very high138 Ų13850 Ų5061%0.60526%0.259SS*.Hα-helixtrans-59.5-42.1177.9-83.9-70.1000112.9V154 V155 S160 L161V154-F158 HydrophobicContact CG1-CD2 3.62Å; V154-F158 HydrophobicContact CG1-CE2 3.5Å; V154-F158 VanDerWaalsContact CG1-CE2 3.5Å; V154-F158 WeakPolarHBondContact O-CD2 3.38Å; V154-F158 PolarHBondContact O-N 3.43Å; V155-F158 PolarHBondContact O-N 3.26Å; F158-S160 PolarHBondContact O-N 3.09Å; F158-L161 HydrophobicContact CD1-CD1 3.62Å; F158-L161 HydrophobicContact CE1-CD1 4.07Å; F158-L161 HydrophobicContact CG-CD1 4.45Å; F158-L161 PolarHBondContact O-N 2.99Å
159A95.3Very high94.1Very high15 Ų1549.3 Ų49.312%0.12426%0.256CS..Hα-helixtrans-62.9-26.1175.800000112.9F113 V155 A156 V157 K197 L201F113-A159 HydrophobicContact CD1-CB 4.41Å; F113-A159 HydrophobicContact CD2-CB 3.83Å; F113-A159 HydrophobicContact CE2-CB 4.14Å; F113-A159 HydrophobicContact CG-CB 4.02Å; V155-A159 WeakPolarHBondContact O-CB 3.43Å; V155-A159 PolarHBondContact O-N 3.46Å; A156-A159 PolarHBondContact O-N 2.94Å; V157-A159 VanDerWaalsContact C-N 3.35Å; V157-A159 PolarHBondContact O-N 3.36Å; A159-K197 PolarHBondContact O-NZ 2.89Å; A159-L201 HydrophobicContact CB-CD1 4.34Å
160S95.2Very high93.3Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-85.3-25.8-179.4-55.90000113.1F109 I110 A156 V157 F158 G163 I164F109-S160 WeakPolarHBondContact CB-OG 3.28Å; F109-S160 PolarHBondContact O-OG 2.79Å; I110-S160 WeakPolarHBondContact CA-OG 3.5Å; I110-S160 WeakPolarHBondContact CG1-OG 3.27Å; I110-S160 PolarHBondContact N-OG 2.91Å; I110-S160 VanDerWaalsContact N-OG 3.15Å; A156-S160 WeakPolarHBondContact O-CB 3.43Å; A156-S160 PolarHBondContact O-N 3.4Å; A156-S160 VanDerWaalsContact O-N 3.1Å; A156-S160 PolarHBondContact O-OG 3.41Å; V157-S160 WeakPolarHBondContact O-CA 3.24Å; V157-S160 WeakPolarHBondContact O-CB 3.25Å; V157-S160 PolarHBondContact O-N 3.23Å; F158-S160 PolarHBondContact O-N 3.09Å; S160-G163 WeakPolarHBondContact O-CA 3.5Å; S160-G163 PolarHBondContact O-N 3.27Å; S160-I164 WeakPolarHBondContact O-CG1 3.33Å; S160-I164 PolarHBondContact O-N 3.34Å; S160-I164 VanDerWaalsContact O-N 3.14Å
161L93.8Very high92.4Very high67 Ų6754.8 Ų54.835%0.35127%0.273SS..Hα-helixtrans-51-47.2-175.6-71.4176.8000114.6V157 F158 G163 I164 I165V157-L161 WeakPolarHBondContact O-CG 2.98Å; V157-L161 PolarHBondContact O-N 3.12Å; V157-L161 VanDerWaalsContact O-N 3.09Å; F158-L161 HydrophobicContact CD1-CD1 3.62Å; F158-L161 HydrophobicContact CE1-CD1 4.07Å; F158-L161 HydrophobicContact CG-CD1 4.45Å; F158-L161 PolarHBondContact O-N 2.99Å; L161-G163 VanDerWaalsContact C-N 3.26Å; L161-G163 PolarHBondContact O-N 3.28Å; L161-I164 PolarHBondContact O-N 2.87Å; L161-I164 VanDerWaalsContact O-N 3.11Å; L161-I165 HydrophobicContact CB-CD1 4.48Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.34Å; L161-I165 PolarHBondContact O-N 3.46Å
162P90.9Very high91.2Very high25 Ų2554.3 Ų54.316%0.16227%0.269CS..Hα-helixtrans-59-39.9178.7-23.834.5000112.1I164 I165 F166 F193P162-I164 VanDerWaalsContact C-N 3.35Å; P162-I164 PolarHBondContact O-N 3.26Å; P162-I165 PolarHBondContact O-N 3.15Å; P162-F166 HydrophobicContact CB-CD2 4.39Å; P162-F166 HydrophobicContact CB-CE2 4.29Å; P162-F166 WeakPolarHBondContact O-CD2 3.47Å; P162-F166 PolarHBondContact O-N 3.26Å; P162-F166 VanDerWaalsContact O-N 3.09Å; P162-F193 HydrophobicContact CB-CE1 4.41Å; P162-F193 HydrophobicContact CG-CE1 4.22Å
163G88.8Confident90.1Very high1 Ų156.9 Ų56.91%0.0130%0.298CS..Hα-helixtrans-62.3-42.1176.500000112.2S160 L161 T167S160-G163 WeakPolarHBondContact O-CA 3.5Å; S160-G163 PolarHBondContact O-N 3.27Å; L161-G163 VanDerWaalsContact C-N 3.26Å; L161-G163 PolarHBondContact O-N 3.28Å; G163-T167 WeakPolarHBondContact O-CB 3.5Å; G163-T167 PolarHBondContact O-N 2.95Å; G163-T167 VanDerWaalsContact O-N 3.07Å; G163-T167 PolarHBondContact O-OG1 3.41Å
164I91.6Very high88.9Confident38 Ų3861.5 Ų61.520%0.19533%0.326CS..Hα-helixtrans-66.6-42179.4-59.3167.7000111.3Q102 S160 L161 P162Q102-I164 HydrophobicContact CB-CG2 4.14Å; S160-I164 WeakPolarHBondContact O-CG1 3.33Å; S160-I164 PolarHBondContact O-N 3.34Å; S160-I164 VanDerWaalsContact O-N 3.14Å; L161-I164 PolarHBondContact O-N 2.87Å; L161-I164 VanDerWaalsContact O-N 3.11Å; P162-I164 VanDerWaalsContact C-N 3.35Å; P162-I164 PolarHBondContact O-N 3.26Å
165I91.6Very high87.8Confident99 Ų9963.1 Ų63.151%0.50833%0.328SS..Hα-helixtrans-68.6-41-176.7-66.8164.4000111.4L161 P162L161-I165 HydrophobicContact CB-CD1 4.48Å; L161-I165 VanDerWaalsContact O-CG1 3.28Å; L161-I165 WeakPolarHBondContact O-CG1 3.34Å; L161-I165 PolarHBondContact O-N 3.46Å; P162-I165 PolarHBondContact O-N 3.15Å
166F90.2Very high86.9Confident24 Ų2465 Ų6511%0.10533%0.328CS..Hα-helixtrans-83.3-20.5-177.8-66.1-58000113.4P162 H181 F182 P183 W190P162-F166 HydrophobicContact CB-CD2 4.39Å; P162-F166 HydrophobicContact CB-CE2 4.29Å; P162-F166 WeakPolarHBondContact O-CD2 3.47Å; P162-F166 PolarHBondContact O-N 3.26Å; P162-F166 VanDerWaalsContact O-N 3.09Å; F166-H181 PolarHBondContact O-N 3.43Å; F166-F182 HydrophobicContact CB-CD1 3.92Å; F166-F182 HydrophobicContact CB-CE1 3.83Å; F166-F182 AromaticContact CD1-CD1 3.98Å; F166-F182 HydrophobicContact CD1-CD1 3.98Å; F166-F182 AromaticContact CD2-CD1 3.94Å; F166-F182 HydrophobicContact CD2-CD1 3.94Å; F166-F182 AromaticContact CD2-CE1 3.83Å; F166-F182 HydrophobicContact CD2-CE1 3.83Å; F166-F182 AromaticContact CG-CD1 3.67Å; F166-F182 HydrophobicContact CG-CD1 3.67Å; F166-F182 AromaticContact CG-CE1 3.84Å; F166-F182 HydrophobicContact CG-CE1 3.84Å; F166-P183 HydrophobicContact CE1-CG 4.14Å; F166-W190 HydrophobicContact CD2-CE3 4.34Å; F166-W190 HydrophobicContact CE1-CD2 4.27Å; F166-W190 AromaticContact CE2-CD2 3.73Å; F166-W190 HydrophobicContact CE2-CD2 3.73Å; F166-W190 AromaticContact CE2-CE3 3.24Å; F166-W190 HydrophobicContact CE2-CE3 3.24Å; F166-W190 HydrophobicContact CE2-CG 4.42Å; F166-W190 HydrophobicContact CE2-CH2 4.14Å; F166-W190 AromaticContact CE2-CZ3 3.48Å; F166-W190 HydrophobicContact CE2-CZ3 3.48Å; F166-W190 VanDerWaalsContact CE2-CZ3 3.48Å; F166-W190 AromaticContact CZ-CD2 3.4Å; F166-W190 HydrophobicContact CZ-CD2 3.4Å; F166-W190 VanDerWaalsContact CZ-CD2 3.4Å; F166-W190 AromaticContact CZ-CE2 3.64Å; F166-W190 AromaticContact CZ-CE3 3.4Å; F166-W190 HydrophobicContact CZ-CE3 3.4Å; F166-W190 HydrophobicContact CZ-CG 4.04Å; F166-W190 AromaticContact CZ-CH2 3.83Å; F166-W190 HydrophobicContact CZ-CH2 3.83Å; F166-W190 AromaticContact CZ-CZ2 3.85Å; F166-W190 HydrophobicContact CZ-CZ2 3.85Å; F166-W190 AromaticContact CZ-CZ3 3.62Å; F166-W190 HydrophobicContact CZ-CZ3 3.62Å
167T88.4Confident86.1Confident6 Ų665.8 Ų65.84%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-80.3128.7175.6-57.70000111.3C101 Q102 T105 G163 S179 S180C101-T167 VanDerWaalsContact SG-CG2 3.57Å; Q102-T167 WeakPolarHBondContact CG-O 3.4Å; Q102-T167 PolarHBondContact NE2-O 2.97Å; T105-T167 HydrophobicContact CG2-CG2 4.35Å; T105-T167 WeakPolarHBondContact OG1-CG2 3.25Å; G163-T167 WeakPolarHBondContact O-CB 3.5Å; G163-T167 PolarHBondContact O-N 2.95Å; G163-T167 VanDerWaalsContact O-N 3.07Å; G163-T167 PolarHBondContact O-OG1 3.41Å; T167-S179 WeakPolarHBondContact CA-O 3.5Å; T167-S180 PolarHBondContact OG1-OG 3.18Å
168R87.4Confident85.5Confident145 Ų14564.2 Ų64.255%0.54732%0.324SS..EExtended strand (participates in β ladder)trans-137.9154.2176.3-62.6-171.6179.8-162.5-1110.7N98 S179N98-R168 VanDerWaalsContact OD1-CA 3.27Å; N98-R168 WeakPolarHBondContact OD1-CA 3.39Å; R168-S179 PolarHBondContact N-O 3.16Å; R168-S179 PolarHBondContact O-N 3.43Å; R168-S179 VanDerWaalsContact O-N 3.11Å
169S85.5Confident84.8Confident26 Ų2659.1 Ų59.118%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-86.6122.7165.6-177.40000109.3N98 T177N98-S169 PolarHBondContact OD1-N 2.78Å; S169-T177 CarbonylContact C-O 3.34Å; S169-T177 VanDerWaalsContact CA-O 3.24Å; S169-T177 WeakPolarHBondContact CA-O 3.41Å
170Q81.1Confident84.3Confident76 Ų7661 Ų6136%0.35532%0.318SS..EExtended strand (participates in β ladder)trans-142.2158.7175.963.5170.33200111.5E172 Y176 T177 H181Q170-E172 HydrophobicContact CG-CG 4.24Å; Q170-E172 PolarHBondContact NE2-OE1 3.47Å; Q170-E172 PolarHBondContact O-N 3.32Å; Q170-Y176 WeakPolarHBondContact O-CA 3.46Å; Q170-T177 PolarHBondContact N-O 3.07Å; Q170-T177 PolarHBondContact O-N 2.98Å; Q170-H181 WeakPolarHBondContact CG-NE2 3.32Å; Q170-H181 PolarHBondContact NE2-CE1 3.34Å; Q170-H181 PolarHBondContact NE2-ND1 3.41Å; Q170-H181 PolarHBondContact NE2-NE2 3.04Å
171K78.9Confident83.9Confident129 Ų12963.4 Ų63.456%0.56133%0.329SS*.EExtended strand (participates in β ladder)trans-83.4114176.9-169.7177.4179.4-178.80109.7G173 Y176K171-G173 WeakPolarHBondContact CE-O 3.15Å; K171-Y176 HydrophobicContact CB-CD1 4.1Å; K171-Y176 HydrophobicContact CB-CE1 3.88Å; K171-Y176 HydrophobicContact CD-CE2 4.39Å; K171-Y176 HydrophobicContact CG-CE2 4.49Å
172E73.2Confident83.6Confident85 Ų8561.7 Ų61.740%0.39732%0.319SS..EExtended strand (participates in β ladder)trans-109.6101.5175-74.2179.6168.600109.5Q170 L174 H175 T177 H181Q170-E172 HydrophobicContact CG-CG 4.24Å; Q170-E172 PolarHBondContact NE2-OE1 3.47Å; Q170-E172 PolarHBondContact O-N 3.32Å; E172-L174 PolarHBondContact O-N 2.85Å; E172-H175 PolarHBondContact N-O 2.94Å; E172-H175 PolarHBondContact O-N 3.42Å; E172-T177 HydrophobicContact CB-CG2 4.27Å; E172-T177 PolarHBondContact OE2-OG1 3.42Å; E172-H181 IonicContact OE1-CE1 3.57Å; E172-H181 PolarHBondContact OE1-CE1 2.93Å; E172-H181 VanDerWaalsContact OE1-CE1 3.27Å; E172-H181 IonicContact OE1-NE2 2.79Å
173G74.4Confident83.4Confident68 Ų6863 Ų6370%0.70133%0.328SS*.THydrogen-bonded Turntrans68.1-118.4-173.300000111.8K171K171-G173 WeakPolarHBondContact CE-O 3.15Å
174L72.4Confident83.3Confident147 Ų14773.6 Ų73.677%0.7737%0.369SS*.THydrogen-bonded Turntrans-89.5-11.4-178-72.9163.2000113.8E172E172-L174 PolarHBondContact O-N 2.85Å
175H75.3Confident83.2Confident105 Ų10577.2 Ų77.249%0.48640%0.397SS..EExtended strand (participates in β ladder)trans-125.3150.3-171-59.4-63.6000112.2Q93 E172Q93-H175 HydrophobicContact CB-CB 4.17Å; E172-H175 PolarHBondContact N-O 2.94Å; E172-H175 PolarHBondContact O-N 3.42Å
176Y79.4Confident83.1Confident110 Ų11077.3 Ų77.343%0.43140%0.396SS..EExtended strand (participates in β ladder)trans-80134.2167.5-75.6-90000110W94 Q170 K171W94-Y176 WeakPolarHBondContact CB-O 3.5Å; W94-Y176 PolarHBondContact N-O 3.48Å; W94-Y176 VanDerWaalsContact O-CB 3.29Å; W94-Y176 WeakPolarHBondContact O-CB 3.21Å; Q170-Y176 WeakPolarHBondContact O-CA 3.46Å; K171-Y176 HydrophobicContact CB-CD1 4.1Å; K171-Y176 HydrophobicContact CB-CE1 3.88Å; K171-Y176 HydrophobicContact CD-CE2 4.39Å; K171-Y176 HydrophobicContact CG-CE2 4.49Å
177T80.4Confident83Confident17 Ų1781.1 Ų81.110%0.10441%0.41CS..EExtended strand (participates in β ladder)trans-123149.2176.260.30000110.8Y89 S169 Q170 E172Y89-T177 HydrophobicContact CE2-CG2 4.36Å; Y89-T177 WeakPolarHBondContact OH-CB 3.28Å; Y89-T177 WeakPolarHBondContact OH-CG2 3.31Å; S169-T177 CarbonylContact C-O 3.34Å; S169-T177 VanDerWaalsContact CA-O 3.24Å; S169-T177 WeakPolarHBondContact CA-O 3.41Å; Q170-T177 PolarHBondContact N-O 3.07Å; Q170-T177 PolarHBondContact O-N 2.98Å; E172-T177 HydrophobicContact CB-CG2 4.27Å; E172-T177 PolarHBondContact OE2-OG1 3.42Å
178C84.9Confident83.1Confident27 Ų2785 Ų8518%0.18243%0.428CS..EExtended strand (participates in β ladder)trans-109101.6171.1172.60000107.1W94 C101W94-C178 HydrophobicContact CD2-CB 3.5Å; W94-C178 HydrophobicContact CE3-CB 3.64Å; W94-C178 HydrophobicContact CG-CB 3.98Å; W94-C178 HydrophobicContact CH2-CB 4.26Å; W94-C178 HydrophobicContact CZ2-CB 4.2Å; W94-C178 HydrophobicContact CZ3-CB 4.01Å; C101-C178 VanDerWaalsContact CA-SG 3.58Å; C101-C178 HydrophobicContact CB-CB 3.9Å; C101-C178 WeakPolarHBondContact CB-SG 3.39Å; C101-C178 WeakPolarHBondContact SG-CB 3.31Å; C101-C178 CovalentContact SG-SG 2.02Å; C101-C178 PolarHBondContact SG-SG 3.39Å
179S82.9Confident83.3Confident32 Ų3284.1 Ų84.122%0.22443%0.428CS..EExtended strand (participates in β ladder)trans-144.8162.6-172.896.30000112.5T167 R168 H181T167-S179 WeakPolarHBondContact CA-O 3.5Å; R168-S179 PolarHBondContact N-O 3.16Å; R168-S179 PolarHBondContact O-N 3.43Å; R168-S179 VanDerWaalsContact O-N 3.11Å; S179-H181 PolarHBondContact O-CD2 2.92Å; S179-H181 PolarHBondContact O-NE2 3.45Å; S179-H181 PolarHBondContact OG-CE1 3.23Å; S179-H181 PolarHBondContact OG-NE2 3.49Å
180S84.8Confident83.6Confident53 Ų5385.8 Ų85.837%0.37143%0.431SS..EExtended strand (participates in β ladder)trans-81.6119.8-179-60.20000111.2T167T167-S180 PolarHBondContact OG1-OG 3.18Å
181H85.5Confident84Confident51 Ų5184.2 Ų84.224%0.23642%0.423CS..  trans-111.5110.7178.2-64.2-67.1000110.5F166 Q170 E172 S179F166-H181 PolarHBondContact O-N 3.43Å; Q170-H181 WeakPolarHBondContact CG-NE2 3.32Å; Q170-H181 PolarHBondContact NE2-CE1 3.34Å; Q170-H181 PolarHBondContact NE2-ND1 3.41Å; Q170-H181 PolarHBondContact NE2-NE2 3.04Å; E172-H181 IonicContact OE1-CE1 3.57Å; E172-H181 PolarHBondContact OE1-CE1 2.93Å; E172-H181 VanDerWaalsContact OE1-CE1 3.27Å; E172-H181 IonicContact OE1-NE2 2.79Å; S179-H181 PolarHBondContact O-CD2 2.92Å; S179-H181 PolarHBondContact O-NE2 3.45Å; S179-H181 PolarHBondContact OG-CE1 3.23Å; S179-H181 PolarHBondContact OG-NE2 3.49Å
182F88.1Confident84.7Confident31 Ų3180 Ų8014%0.13641%0.406CS..  trans-91.8148.2176.2-55.7-59.3000111.2F166 Y184 Y187 W190 K191 Q194F166-F182 HydrophobicContact CB-CD1 3.92Å; F166-F182 HydrophobicContact CB-CE1 3.83Å; F166-F182 AromaticContact CD1-CD1 3.98Å; F166-F182 HydrophobicContact CD1-CD1 3.98Å; F166-F182 AromaticContact CD2-CD1 3.94Å; F166-F182 HydrophobicContact CD2-CD1 3.94Å; F166-F182 AromaticContact CD2-CE1 3.83Å; F166-F182 HydrophobicContact CD2-CE1 3.83Å; F166-F182 AromaticContact CG-CD1 3.67Å; F166-F182 HydrophobicContact CG-CD1 3.67Å; F166-F182 AromaticContact CG-CE1 3.84Å; F166-F182 HydrophobicContact CG-CE1 3.84Å; F182-Y184 PolarHBondContact O-N 3.02Å; F182-Y187 HydrophobicContact CB-CD2 3.91Å; F182-Y187 HydrophobicContact CB-CE2 4.42Å; F182-Y187 HydrophobicContact CD2-CD2 4.35Å; F182-Y187 HydrophobicContact CD2-CE2 4.11Å; F182-W190 HydrophobicContact CB-CB 3.97Å; F182-W190 HydrophobicContact CD1-CB 3.53Å; F182-W190 HydrophobicContact CD1-CG 4.44Å; F182-W190 HydrophobicContact CE1-CB 4.19Å; F182-W190 HydrophobicContact CG-CB 3.81Å; F182-K191 HydrophobicContact CD2-CB 4.17Å; F182-K191 HydrophobicContact CE2-CB 4.13Å; F182-K191 HydrophobicContact CE2-CG 4.47Å; F182-Q194 HydrophobicContact CZ-CB 4.2Å; F182-Q194 HydrophobicContact CZ-CG 4.41Å
183P87.4Confident85.7Confident53 Ų5380.1 Ų80.134%0.34441%0.405SS..  trans-58.7129.9176.1-20.430.8000111.5F166 S185 Q186 Y187F166-P183 HydrophobicContact CE1-CG 4.14Å; P183-S185 VanDerWaalsContact C-N 3.26Å; P183-S185 PolarHBondContact O-N 3.2Å; P183-Q186 CarbonylContact O-C 3.59Å; P183-Q186 PolarHBondContact O-N 2.9Å; P183-Y187 WeakPolarHBondContact O-CA 3.29Å; P183-Y187 PolarHBondContact O-N 3.21Å
184Y85.8Confident86.6Confident224 Ų22477.5 Ų77.588%0.87838%0.375SS*.G310 helixtrans-55.1-38.9-177.3-68.5-76.7000113.5F182 Q186 Y187F182-Y184 PolarHBondContact O-N 3.02Å; Y184-Q186 PolarHBondContact O-N 2.95Å; Y184-Y187 PolarHBondContact O-N 3.11Å
185S89Confident87.6Confident113 Ų11370.9 Ų70.979%0.7934%0.341SS*.G310 helixtrans-62.8-23.7179.655.80000114.1P183P183-S185 VanDerWaalsContact C-N 3.26Å; P183-S185 PolarHBondContact O-N 3.2Å
186Q90.6Very high88.5Confident101 Ų10169.3 Ų69.347%0.47234%0.336SS..G310 helixtrans-134.226.8-176.1-66.5-178.4-20.200111.5P183 Y184 Q188 F189 W190P183-Q186 CarbonylContact O-C 3.59Å; P183-Q186 PolarHBondContact O-N 2.9Å; Y184-Q186 PolarHBondContact O-N 2.95Å; Q186-Q188 PolarHBondContact O-N 3.29Å; Q186-F189 HydrophobicContact CB-CB 4.41Å; Q186-F189 WeakPolarHBondContact O-CB 3.42Å; Q186-F189 PolarHBondContact O-N 3.49Å; Q186-F189 VanDerWaalsContact O-N 3.11Å; Q186-W190 VanDerWaalsContact O-CD1 3.32Å; Q186-W190 PolarHBondContact O-N 3.15Å; Q186-W190 VanDerWaalsContact OE1-NE1 3.1Å
187Y88.6Confident89.3Confident105 Ų10565.1 Ų65.141%0.41232%0.32SS..Hα-helixtrans-55.6-50.2-170.8176-93.5000111.8F182 P183 Y184 F189 W190 K191F182-Y187 HydrophobicContact CB-CD2 3.91Å; F182-Y187 HydrophobicContact CB-CE2 4.42Å; F182-Y187 HydrophobicContact CD2-CD2 4.35Å; F182-Y187 HydrophobicContact CD2-CE2 4.11Å; P183-Y187 WeakPolarHBondContact O-CA 3.29Å; P183-Y187 PolarHBondContact O-N 3.21Å; Y184-Y187 PolarHBondContact O-N 3.11Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 PolarHBondContact O-N 2.96Å; Y187-W190 PolarHBondContact O-N 3.48Å; Y187-K191 HydrophobicContact CE1-CD 3.86Å; Y187-K191 VanDerWaalsContact O-CB 3.27Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 3.45Å
188Q88.9Confident90Very high88 Ų8864.7 Ų64.741%0.41132%0.317SS..Hα-helixtrans-64.4-37.4-179.2-167.263.141.300112.3Q186 N192Q186-Q188 PolarHBondContact O-N 3.29Å; Q188-N192 PolarHBondContact NE2-OD1 3.32Å; Q188-N192 VanDerWaalsContact O-CB 3.22Å; Q188-N192 WeakPolarHBondContact O-CB 3.11Å; Q188-N192 PolarHBondContact O-N 2.96Å; Q188-N192 PolarHBondContact O-ND2 2.93Å; Q188-N192 PolarHBondContact O-OD1 3.14Å
189F91.9Very high90.5Very high125 Ų12564 Ų6455%0.54831%0.312SS..Hα-helixtrans-63.1-51.4178.7175-94000111.1Q186 Y187 N192 F193Q186-F189 HydrophobicContact CB-CB 4.41Å; Q186-F189 WeakPolarHBondContact O-CB 3.42Å; Q186-F189 PolarHBondContact O-N 3.49Å; Q186-F189 VanDerWaalsContact O-N 3.11Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 PolarHBondContact O-N 2.96Å; F189-N192 PolarHBondContact O-N 3Å; F189-F193 VanDerWaalsContact O-CB 3.27Å; F189-F193 WeakPolarHBondContact O-CB 3.28Å; F189-F193 PolarHBondContact O-N 3.46Å
190W92.2Very high91.2Very high61 Ų6166.6 Ų66.623%0.23132%0.322CS..Hα-helixtrans-69-37.7-178.7-73.3108000112.8F166 F182 Q186 Y187 F193 Q194F166-W190 HydrophobicContact CD2-CE3 4.34Å; F166-W190 HydrophobicContact CE1-CD2 4.27Å; F166-W190 AromaticContact CE2-CD2 3.73Å; F166-W190 HydrophobicContact CE2-CD2 3.73Å; F166-W190 AromaticContact CE2-CE3 3.24Å; F166-W190 HydrophobicContact CE2-CE3 3.24Å; F166-W190 HydrophobicContact CE2-CG 4.42Å; F166-W190 HydrophobicContact CE2-CH2 4.14Å; F166-W190 AromaticContact CE2-CZ3 3.48Å; F166-W190 HydrophobicContact CE2-CZ3 3.48Å; F166-W190 VanDerWaalsContact CE2-CZ3 3.48Å; F166-W190 AromaticContact CZ-CD2 3.4Å; F166-W190 HydrophobicContact CZ-CD2 3.4Å; F166-W190 VanDerWaalsContact CZ-CD2 3.4Å; F166-W190 AromaticContact CZ-CE2 3.64Å; F166-W190 AromaticContact CZ-CE3 3.4Å; F166-W190 HydrophobicContact CZ-CE3 3.4Å; F166-W190 HydrophobicContact CZ-CG 4.04Å; F166-W190 AromaticContact CZ-CH2 3.83Å; F166-W190 HydrophobicContact CZ-CH2 3.83Å; F166-W190 AromaticContact CZ-CZ2 3.85Å; F166-W190 HydrophobicContact CZ-CZ2 3.85Å; F166-W190 AromaticContact CZ-CZ3 3.62Å; F166-W190 HydrophobicContact CZ-CZ3 3.62Å; F182-W190 HydrophobicContact CB-CB 3.97Å; F182-W190 HydrophobicContact CD1-CB 3.53Å; F182-W190 HydrophobicContact CD1-CG 4.44Å; F182-W190 HydrophobicContact CE1-CB 4.19Å; F182-W190 HydrophobicContact CG-CB 3.81Å; Q186-W190 VanDerWaalsContact O-CD1 3.32Å; Q186-W190 PolarHBondContact O-N 3.15Å; Q186-W190 VanDerWaalsContact OE1-NE1 3.1Å; Y187-W190 PolarHBondContact O-N 3.48Å; W190-F193 HydrophobicContact CE3-CD1 4.13Å; W190-F193 HydrophobicContact CZ3-CD1 4.16Å; W190-F193 HydrophobicContact CZ3-CE1 4.4Å; W190-F193 PolarHBondContact O-N 3.14Å; W190-Q194 WeakPolarHBondContact O-CB 3.5Å; W190-Q194 PolarHBondContact O-N 3.06Å
191K90.1Very high91.7Very high44 Ų4466.1 Ų66.119%0.19132%0.315CS..Hα-helixtrans-59.3-50172.2-173-177.4176.4-175.90111F182 Y187 Q194 T195 T259F182-K191 HydrophobicContact CD2-CB 4.17Å; F182-K191 HydrophobicContact CE2-CB 4.13Å; F182-K191 HydrophobicContact CE2-CG 4.47Å; Y187-K191 HydrophobicContact CE1-CD 3.86Å; Y187-K191 VanDerWaalsContact O-CB 3.27Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 3.45Å; K191-Q194 PolarHBondContact O-N 3.41Å; K191-T195 PolarHBondContact O-N 3.06Å; K191-T195 VanDerWaalsContact O-N 3.11Å; K191-T195 PolarHBondContact O-OG1 3.33Å; K191-T259 HydrophobicContact CG-CG2 4.2Å
192N92.9Very high92.1Very high39 Ų3963.7 Ų63.721%0.20930%0.304CS..Hα-helixtrans-62.8-45.8177.6-71.6-6.3000111.8Q188 F189 Q194 T195 L196 T259Q188-N192 PolarHBondContact NE2-OD1 3.32Å; Q188-N192 VanDerWaalsContact O-CB 3.22Å; Q188-N192 WeakPolarHBondContact O-CB 3.11Å; Q188-N192 PolarHBondContact O-N 2.96Å; Q188-N192 PolarHBondContact O-ND2 2.93Å; Q188-N192 PolarHBondContact O-OD1 3.14Å; F189-N192 PolarHBondContact O-N 3Å; N192-Q194 PolarHBondContact O-N 2.99Å; N192-T195 PolarHBondContact O-N 3.33Å; N192-L196 VanDerWaalsContact O-CB 3.31Å; N192-L196 WeakPolarHBondContact O-CB 3.31Å; N192-L196 VanDerWaalsContact O-CG 3.26Å; N192-L196 WeakPolarHBondContact O-CG 3.49Å; N192-L196 PolarHBondContact O-N 3.48Å; N192-T259 WeakPolarHBondContact OD1-CG2 3.35Å
193F94.3Very high92.4Very high88 Ų8863.5 Ų63.539%0.38630%0.304SS..Hα-helixtrans-58.6-47.4179.3176.1-97.9000111.5P162 F189 W190 K197P162-F193 HydrophobicContact CB-CE1 4.41Å; P162-F193 HydrophobicContact CG-CE1 4.22Å; F189-F193 VanDerWaalsContact O-CB 3.27Å; F189-F193 WeakPolarHBondContact O-CB 3.28Å; F189-F193 PolarHBondContact O-N 3.46Å; W190-F193 HydrophobicContact CE3-CD1 4.13Å; W190-F193 HydrophobicContact CZ3-CD1 4.16Å; W190-F193 HydrophobicContact CZ3-CE1 4.4Å; W190-F193 PolarHBondContact O-N 3.14Å; F193-K197 WeakPolarHBondContact O-CB 3.48Å; F193-K197 PolarHBondContact O-N 3.29Å
194Q92.4Very high92.8Very high14 Ų1464.7 Ų64.77%0.06531%0.31CS..Hα-helixtrans-63.2-45.1-180-175.570-9.300111.5F182 W190 K191 N192 I198F182-Q194 HydrophobicContact CZ-CB 4.2Å; F182-Q194 HydrophobicContact CZ-CG 4.41Å; W190-Q194 WeakPolarHBondContact O-CB 3.5Å; W190-Q194 PolarHBondContact O-N 3.06Å; K191-Q194 PolarHBondContact O-N 3.41Å; N192-Q194 PolarHBondContact O-N 2.99Å; Q194-I198 HydrophobicContact CG-CD1 4.2Å; Q194-I198 WeakPolarHBondContact O-CG1 3.06Å; Q194-I198 PolarHBondContact O-N 2.86Å; Q194-I198 VanDerWaalsContact O-N 3.12Å
195T93.4Very high93.3Very high8 Ų857.1 Ų57.15%0.04928%0.284CS..Hα-helixtrans-64.7-49.6177.8-66.10000112K191 N192 K197 I198 V199 L255 L256 T259K191-T195 PolarHBondContact O-N 3.06Å; K191-T195 VanDerWaalsContact O-N 3.11Å; K191-T195 PolarHBondContact O-OG1 3.33Å; N192-T195 PolarHBondContact O-N 3.33Å; T195-K197 VanDerWaalsContact C-N 3.3Å; T195-K197 PolarHBondContact O-N 2.77Å; T195-I198 PolarHBondContact O-N 3.34Å; T195-V199 HydrophobicContact CG2-CG2 4.27Å; T195-V199 WeakPolarHBondContact O-CG2 3.23Å; T195-V199 PolarHBondContact O-N 3.22Å; T195-L255 HydrophobicContact CG2-CD2 4.33Å; T195-L255 HydrophobicContact CG2-CG 3.93Å; T195-L256 HydrophobicContact CG2-CD1 4.36Å; T195-T259 WeakPolarHBondContact CB-OG1 3.3Å; T195-T259 HydrophobicContact CG2-CG2 4.16Å; T195-T259 WeakPolarHBondContact CG2-OG1 3.44Å; T195-T259 PolarHBondContact OG1-OG1 2.87Å
196L95.5Very high93.5Very high72 Ų7251.7 Ų51.738%0.37725%0.247SC..Hα-helixtrans-61.3-40.3179.3-71.1175.1000111.3N192 I198 V199 I200 F260N192-L196 VanDerWaalsContact O-CB 3.31Å; N192-L196 WeakPolarHBondContact O-CB 3.31Å; N192-L196 VanDerWaalsContact O-CG 3.26Å; N192-L196 WeakPolarHBondContact O-CG 3.49Å; N192-L196 PolarHBondContact O-N 3.48Å; L196-I198 PolarHBondContact O-N 3.19Å; L196-V199 PolarHBondContact O-N 3.01Å; L196-I200 HydrophobicContact CB-CD1 4.22Å; L196-I200 WeakPolarHBondContact O-CB 3.33Å; L196-I200 WeakPolarHBondContact O-CD1 3.11Å; L196-I200 WeakPolarHBondContact O-CG1 3.3Å; L196-I200 PolarHBondContact O-N 3.48Å; L196-F260 HydrophobicContact CD2-CE2 4.35Å; L196-F260 HydrophobicContact CD2-CZ 4.42Å
197K95.9Very high93.7Very high22 Ų2251 Ų5110%0.09625%0.246CC..Hα-helixtrans-57.7-49.1174.9-178.4-157.373.9178.10111.6F113 A159 F193 T195 L201F113-K197 HydrophobicContact CZ-CD 4.47Å; A159-K197 PolarHBondContact O-NZ 2.89Å; F193-K197 WeakPolarHBondContact O-CB 3.48Å; F193-K197 PolarHBondContact O-N 3.29Å; T195-K197 VanDerWaalsContact C-N 3.3Å; T195-K197 PolarHBondContact O-N 2.77Å; K197-L201 HydrophobicContact CG-CD1 3.87Å; K197-L201 WeakPolarHBondContact O-CB 3.28Å; K197-L201 WeakPolarHBondContact O-CG 3.46Å; K197-L201 PolarHBondContact O-N 3.42Å
198I94.8Very high94.1Very high8 Ų850.7 Ų50.74%0.04125%0.251CS..Hα-helixtrans-62.6-47.9179.6-68165.2000110.3F109 F112 F113 Q194 T195 L196 G202 N252 L255F109-I198 HydrophobicContact CE1-CD1 4.01Å; F112-I198 HydrophobicContact CE1-CG2 4.2Å; F112-I198 HydrophobicContact CZ-CG2 4.28Å; F113-I198 HydrophobicContact CZ-CG1 4.23Å; Q194-I198 HydrophobicContact CG-CD1 4.2Å; Q194-I198 WeakPolarHBondContact O-CG1 3.06Å; Q194-I198 PolarHBondContact O-N 2.86Å; Q194-I198 VanDerWaalsContact O-N 3.12Å; T195-I198 PolarHBondContact O-N 3.34Å; L196-I198 PolarHBondContact O-N 3.19Å; I198-G202 VanDerWaalsContact O-CA 3.28Å; I198-G202 WeakPolarHBondContact O-CA 3.49Å; I198-G202 PolarHBondContact O-N 3Å; I198-N252 WeakPolarHBondContact CG2-OD1 3.38Å; I198-N252 PolarHBondContact O-OD1 3.3Å; I198-L255 HydrophobicContact CB-CD2 4.06Å; I198-L255 HydrophobicContact CD1-CD2 3.98Å; I198-L255 HydrophobicContact CG2-CD2 3.8Å
199V95.9Very high94.4Very high13 Ų1347.4 Ų47.48%0.07924%0.236CC..Hα-helixtrans-67.2-42.8-178.6173.70000111.9T195 L196 L203 V204 N252 L256T195-V199 HydrophobicContact CG2-CG2 4.27Å; T195-V199 WeakPolarHBondContact O-CG2 3.23Å; T195-V199 PolarHBondContact O-N 3.22Å; L196-V199 PolarHBondContact O-N 3.01Å; V199-L203 WeakPolarHBondContact O-CA 3.24Å; V199-L203 VanDerWaalsContact O-CB 3.28Å; V199-L203 WeakPolarHBondContact O-CB 3.46Å; V199-L203 PolarHBondContact O-N 2.89Å; V199-V204 HydrophobicContact CG1-CG2 4.26Å; V199-V204 PolarHBondContact O-N 3.13Å; V199-N252 HydrophobicContact CG2-CB 4.42Å; V199-L256 HydrophobicContact CG2-CB 4.44Å; V199-L256 HydrophobicContact CG2-CD1 4.43Å
200I96.6Very high94.3Very high85 Ų8543 Ų4344%0.43622%0.218SC..Iπ-helixtrans-66-50.2-179.3-69.7166.7000110.1L196 V204 L205L196-I200 HydrophobicContact CB-CD1 4.22Å; L196-I200 WeakPolarHBondContact O-CB 3.33Å; L196-I200 WeakPolarHBondContact O-CD1 3.11Å; L196-I200 WeakPolarHBondContact O-CG1 3.3Å; L196-I200 PolarHBondContact O-N 3.48Å; I200-V204 PolarHBondContact O-N 3.25Å; I200-L205 VanDerWaalsContact O-CB 3.23Å; I200-L205 WeakPolarHBondContact O-CB 3.41Å; I200-L205 PolarHBondContact O-N 2.92Å
201L96.4Very high94.4Very high43 Ų4344.3 Ų44.323%0.22523%0.233CC..Iπ-helixtrans-77.8-33.6-175.7-61.6178000112.8F113 F117 A159 K197 L205 P206F113-L201 HydrophobicContact CD1-CB 4.26Å; F113-L201 HydrophobicContact CD1-CD1 4.33Å; F113-L201 HydrophobicContact CE1-CB 4Å; F113-L201 HydrophobicContact CE1-CD1 4.03Å; F117-L201 HydrophobicContact CE1-CB 4.36Å; F117-L201 HydrophobicContact CE1-CD2 4.47Å; F117-L201 HydrophobicContact CZ-CB 4.5Å; F117-L201 HydrophobicContact CZ-CD1 4.31Å; F117-L201 HydrophobicContact CZ-CD2 4.49Å; A159-L201 HydrophobicContact CB-CD1 4.34Å; K197-L201 HydrophobicContact CG-CD1 3.87Å; K197-L201 WeakPolarHBondContact O-CB 3.28Å; K197-L201 WeakPolarHBondContact O-CG 3.46Å; K197-L201 PolarHBondContact O-N 3.42Å; L201-L205 HydrophobicContact CD2-CD2 4.25Å; L201-P206 WeakPolarHBondContact O-CD 3.31Å
202G93.1Very high94.6Very high0 Ų046.6 Ų46.60%025%0.246CC..Iπ-helixtrans-92.6-19.9-175.900000115I198 P206 Y244I198-G202 VanDerWaalsContact O-CA 3.28Å; I198-G202 WeakPolarHBondContact O-CA 3.49Å; I198-G202 PolarHBondContact O-N 3Å; G202-P206 WeakPolarHBondContact O-CG 3.32Å; G202-Y244 VanDerWaalsContact O-CE1 3.31Å; G202-Y244 WeakPolarHBondContact O-CE1 3.23Å; G202-Y244 PolarHBondContact O-OH 3.32Å; G202-Y244 VanDerWaalsContact O-OH 3.11Å
203L94.6Very high94.5Very high28 Ų2845.1 Ų45.115%0.14724%0.239CC..Iπ-helixtrans-127.9-56-178.4-176.863.7000112.7V199 P206 L207 F245 A249 N252 I253V199-L203 WeakPolarHBondContact O-CA 3.24Å; V199-L203 VanDerWaalsContact O-CB 3.28Å; V199-L203 WeakPolarHBondContact O-CB 3.46Å; V199-L203 PolarHBondContact O-N 2.89Å; L203-P206 WeakPolarHBondContact O-CD 3.25Å; L203-P206 WeakPolarHBondContact O-CG 3.26Å; L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.22Å; L203-L207 VanDerWaalsContact O-N 3.13Å; L203-F245 HydrophobicContact CD1-CD1 3.79Å; L203-F245 HydrophobicContact CD1-CE1 3.89Å; L203-A249 HydrophobicContact CD1-CB 3.75Å; L203-N252 HydrophobicContact CB-CB 4.2Å; L203-N252 HydrophobicContact CD2-CB 3.97Å; L203-I253 HydrophobicContact CD2-CG1 4.45Å
204V96.4Very high94.2Very high78 Ų7842.3 Ų42.347%0.47323%0.226SC..Iπ-helixtrans-68.2-49.8-171.8-179.10000111.7V199 I200 L207 L208V199-V204 HydrophobicContact CG1-CG2 4.26Å; V199-V204 PolarHBondContact O-N 3.13Å; I200-V204 PolarHBondContact O-N 3.25Å; V204-L207 PolarHBondContact O-N 2.94Å; V204-L208 WeakPolarHBondContact O-CB 3.3Å; V204-L208 PolarHBondContact O-N 3.44Å
205L96Very high94.1Very high64 Ų6445 Ų4534%0.33525%0.246SC..Hα-helixtrans-59.1-53.9179.3178.566.6000112.7F117 I120 I200 L201 L207 L208 V209F117-L205 HydrophobicContact CE1-CD2 4.39Å; I120-L205 HydrophobicContact CD1-CD2 3.97Å; I120-L205 HydrophobicContact CD1-CG 4Å; I200-L205 VanDerWaalsContact O-CB 3.23Å; I200-L205 WeakPolarHBondContact O-CB 3.41Å; I200-L205 PolarHBondContact O-N 2.92Å; L201-L205 HydrophobicContact CD2-CD2 4.25Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.16Å; L205-L208 PolarHBondContact O-N 2.91Å; L205-V209 HydrophobicContact CD1-CG2 4.49Å; L205-V209 WeakPolarHBondContact O-CG2 3.47Å; L205-V209 PolarHBondContact O-N 2.9Å
206P93.8Very high93.8Very high0 Ų045.3 Ų45.30%025%0.251CS..Hα-helixtrans-63.7-32.9178.923.8-33.7000112.3I116 I120 L201 G202 L203 V209 M210 M241 F245I116-P206 HydrophobicContact CD1-CB 3.56Å; I116-P206 HydrophobicContact CD1-CG 3.83Å; I116-P206 HydrophobicContact CG1-CB 3.98Å; I116-P206 HydrophobicContact CG1-CG 3.84Å; I120-P206 HydrophobicContact CD1-CB 3.97Å; I120-P206 HydrophobicContact CG1-CB 3.95Å; L201-P206 WeakPolarHBondContact O-CD 3.31Å; G202-P206 WeakPolarHBondContact O-CG 3.32Å; L203-P206 WeakPolarHBondContact O-CD 3.25Å; L203-P206 WeakPolarHBondContact O-CG 3.26Å; P206-V209 PolarHBondContact O-N 2.81Å; P206-M210 VanDerWaalsContact O-CB 3.26Å; P206-M210 WeakPolarHBondContact O-CB 3.49Å; P206-M210 PolarHBondContact O-N 3.22Å; P206-M241 HydrophobicContact CB-SD 4.36Å; P206-F245 HydrophobicContact CB-CE1 4.26Å; P206-F245 HydrophobicContact CB-CZ 3.82Å; P206-F245 HydrophobicContact CG-CE1 4.01Å; P206-F245 HydrophobicContact CG-CZ 4.07Å
207L94.6Very high93.4Very high87 Ų8742 Ų4246%0.45523%0.234SC..Hα-helixtrans-69-41.4178.1-172.2142.4000111.3L203 V204 L205 M210 V211 F245L203-L207 WeakPolarHBondContact O-CB 3.43Å; L203-L207 PolarHBondContact O-N 3.22Å; L203-L207 VanDerWaalsContact O-N 3.13Å; V204-L207 PolarHBondContact O-N 2.94Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.16Å; L207-M210 WeakPolarHBondContact O-CB 3.31Å; L207-M210 PolarHBondContact O-N 3.45Å; L207-V211 HydrophobicContact CD2-CG2 4.4Å; L207-V211 WeakPolarHBondContact O-CG2 3.23Å; L207-V211 PolarHBondContact O-N 2.9Å; L207-F245 HydrophobicContact CB-CE1 4.18Å; L207-F245 HydrophobicContact CB-CZ 3.96Å
208L96.1Very high92.9Very high97 Ų9746 Ų4651%0.50826%0.255SS..Hα-helixtrans-60.2-48.5173.1-179.864.2000111.4V204 L205 M210 V211 I212V204-L208 WeakPolarHBondContact O-CB 3.3Å; V204-L208 PolarHBondContact O-N 3.44Å; L205-L208 PolarHBondContact O-N 2.91Å; L208-M210 VanDerWaalsContact C-N 3.27Å; L208-M210 PolarHBondContact O-N 3.08Å; L208-V211 PolarHBondContact O-N 3.1Å; L208-I212 HydrophobicContact CD1-CD1 3.8Å; L208-I212 HydrophobicContact CD1-CG1 4.35Å; L208-I212 HydrophobicContact CG-CD1 3.88Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.17Å; L208-I212 VanDerWaalsContact O-N 3.07Å
209V94.8Very high92.5Very high19 Ų1953.5 Ų53.512%0.11529%0.288CS..Hα-helixtrans-58.6-42.8176.4171.30000110.4I120 T123 I124 L205 P206 C213I120-V209 HydrophobicContact CG2-CG1 4.22Å; I120-V209 HydrophobicContact CG2-CG2 4.05Å; T123-V209 HydrophobicContact CG2-CG1 4.09Å; I124-V209 HydrophobicContact CG1-CG1 4.09Å; L205-V209 HydrophobicContact CD1-CG2 4.49Å; L205-V209 WeakPolarHBondContact O-CG2 3.47Å; L205-V209 PolarHBondContact O-N 2.9Å; P206-V209 PolarHBondContact O-N 2.81Å; V209-C213 WeakPolarHBondContact O-CB 3.45Å; V209-C213 PolarHBondContact O-N 3.09Å; V209-C213 PolarHBondContact O-SG 2.81Å
210M91.3Very high91.8Very high32 Ų3254.4 Ų54.416%0.15829%0.294CS..Hα-helixtrans-60.2-51.4178.6-175.6-171176.900111.3P206 L207 L208 I212 C213 Y214 F238 M241 I242 F245P206-M210 VanDerWaalsContact O-CB 3.26Å; P206-M210 WeakPolarHBondContact O-CB 3.49Å; P206-M210 PolarHBondContact O-N 3.22Å; L207-M210 WeakPolarHBondContact O-CB 3.31Å; L207-M210 PolarHBondContact O-N 3.45Å; L208-M210 VanDerWaalsContact C-N 3.27Å; L208-M210 PolarHBondContact O-N 3.08Å; M210-I212 PolarHBondContact O-N 3.35Å; M210-C213 PolarHBondContact O-N 2.95Å; M210-Y214 HydrophobicContact CB-CD2 4.35Å; M210-Y214 HydrophobicContact CG-CD2 3.58Å; M210-Y214 HydrophobicContact CG-CE2 4.01Å; M210-Y214 VanDerWaalsContact O-CB 3.31Å; M210-Y214 WeakPolarHBondContact O-CB 3.42Å; M210-Y214 VanDerWaalsContact O-CD2 3.31Å; M210-Y214 WeakPolarHBondContact O-CD2 3.38Å; M210-Y214 PolarHBondContact O-N 2.69Å; M210-F238 HydrophobicContact CE-CD2 4.24Å; M210-F238 HydrophobicContact CE-CE2 3.56Å; M210-F238 HydrophobicContact CE-CZ 4.28Å; M210-M241 HydrophobicContact CB-CG 4.49Å; M210-M241 HydrophobicContact CG-CG 4.2Å; M210-M241 HydrophobicContact SD-CG 4.03Å; M210-I242 HydrophobicContact CE-CD1 3.3Å; M210-I242 HydrophobicContact CE-CG1 4.22Å; M210-I242 HydrophobicContact SD-CD1 4.49Å; M210-F245 HydrophobicContact SD-CD2 4.07Å; M210-F245 HydrophobicContact SD-CE2 3.58Å; M210-F245 VanDerWaalsContact SD-CE2 3.58Å
211V93.3Very high90.8Very high89 Ų8951.5 Ų51.554%0.53928%0.279SS..Hα-helixtrans-59.7-47.1-179.2171.80000111.2L207 L208 S215L207-V211 HydrophobicContact CD2-CG2 4.4Å; L207-V211 WeakPolarHBondContact O-CG2 3.23Å; L207-V211 PolarHBondContact O-N 2.9Å; L208-V211 PolarHBondContact O-N 3.1Å; V211-S215 WeakPolarHBondContact O-CB 3.38Å; V211-S215 PolarHBondContact O-N 3.44Å; V211-S215 VanDerWaalsContact O-N 3.17Å; V211-S215 PolarHBondContact O-OG 3.08Å
212I93.8Very high90Very high93 Ų9356 Ų5648%0.47730%0.302SS..Hα-helixtrans-66.6-48.9-179.2-63.8169.6000111L208 M210 S215 G216L208-I212 HydrophobicContact CD1-CD1 3.8Å; L208-I212 HydrophobicContact CD1-CG1 4.35Å; L208-I212 HydrophobicContact CG-CD1 3.88Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.17Å; L208-I212 VanDerWaalsContact O-N 3.07Å; M210-I212 PolarHBondContact O-N 3.35Å; I212-S215 PolarHBondContact O-OG 3.17Å; I212-G216 PolarHBondContact O-N 3.45Å
213C92.1Very high89.3Confident8 Ų866.7 Ų66.75%0.05434%0.343CS..Hα-helixtrans-69.7-46.9-174.8-68.50000111.7T123 Y127 V209 M210 G216 I217T123-C213 HydrophobicContact CG2-CB 3.73Å; Y127-C213 HydrophobicContact CD2-CB 3.94Å; Y127-C213 WeakPolarHBondContact CD2-O 3.45Å; Y127-C213 HydrophobicContact CG-CB 4.14Å; V209-C213 WeakPolarHBondContact O-CB 3.45Å; V209-C213 PolarHBondContact O-N 3.09Å; V209-C213 PolarHBondContact O-SG 2.81Å; M210-C213 PolarHBondContact O-N 2.95Å; C213-G216 PolarHBondContact O-N 3.03Å; C213-I217 WeakPolarHBondContact O-CB 3.27Å; C213-I217 WeakPolarHBondContact O-CD1 3.47Å; C213-I217 VanDerWaalsContact O-CG1 3.23Å; C213-I217 WeakPolarHBondContact O-CG1 3.39Å; C213-I217 PolarHBondContact O-N 3.21Å
214Y88Confident87.9Confident28 Ų2868.3 Ų68.311%0.1136%0.355CS..Hα-helixtrans-73.2-30.4-175.7-77.4-77.1000113.2T123 M210 I217 L218 V234 I237 F238T123-Y214 HydrophobicContact CG2-CD2 4.42Å; T123-Y214 HydrophobicContact CG2-CE2 3.79Å; M210-Y214 HydrophobicContact CB-CD2 4.35Å; M210-Y214 HydrophobicContact CG-CD2 3.58Å; M210-Y214 HydrophobicContact CG-CE2 4.01Å; M210-Y214 VanDerWaalsContact O-CB 3.31Å; M210-Y214 WeakPolarHBondContact O-CB 3.42Å; M210-Y214 VanDerWaalsContact O-CD2 3.31Å; M210-Y214 WeakPolarHBondContact O-CD2 3.38Å; M210-Y214 PolarHBondContact O-N 2.69Å; Y214-I217 HydrophobicContact CD1-CD1 4.24Å; Y214-I217 HydrophobicContact CE1-CD1 4.32Å; Y214-I217 PolarHBondContact O-N 3.29Å; Y214-L218 WeakPolarHBondContact O-CB 3.42Å; Y214-L218 PolarHBondContact O-N 3.02Å; Y214-V234 HydrophobicContact CE1-CG1 4.12Å; Y214-I237 VanDerWaalsContact OH-C 3.3Å; Y214-F238 AromaticContact CD1-CD2 3.73Å; Y214-F238 HydrophobicContact CD1-CD2 3.73Å; Y214-F238 HydrophobicContact CD1-CE2 4.37Å; Y214-F238 HydrophobicContact CD2-CD2 4.24Å; Y214-F238 HydrophobicContact CE1-CB 3.69Å; Y214-F238 AromaticContact CE1-CD2 3.46Å; Y214-F238 HydrophobicContact CE1-CD2 3.46Å; Y214-F238 VanDerWaalsContact CE1-CD2 3.46Å; Y214-F238 HydrophobicContact CE1-CE2 4.49Å; Y214-F238 AromaticContact CE1-CG 4Å; Y214-F238 HydrophobicContact CE1-CG 4Å; Y214-F238 AromaticContact CE2-CD2 3.99Å; Y214-F238 HydrophobicContact CE2-CD2 3.99Å; Y214-F238 HydrophobicContact CG-CD2 4.13Å; Y214-F238 HydrophobicContact CG-CE2 4.48Å; Y214-F238 AromaticContact CZ-CD2 3.61Å; Y214-F238 WeakPolarHBondContact OH-CA 3.2Å; Y214-F238 PolarHBondContact OH-N 2.91Å
215S89.2Confident86.3Confident71 Ų7175.3 Ų75.350%0.49737%0.374SS..Hα-helixtrans-61.9-45.5171.659.20000111.7V211 I212 L218 K219V211-S215 WeakPolarHBondContact O-CB 3.38Å; V211-S215 PolarHBondContact O-N 3.44Å; V211-S215 VanDerWaalsContact O-N 3.17Å; V211-S215 PolarHBondContact O-OG 3.08Å; I212-S215 PolarHBondContact O-OG 3.17Å; S215-L218 PolarHBondContact O-N 2.96Å; S215-K219 WeakPolarHBondContact O-CB 3.4Å; S215-K219 PolarHBondContact O-N 2.83Å
216G87.6Confident84.4Confident15 Ų1579.1 Ų79.116%0.15539%0.394CS..Hα-helixtrans-67.6-39.3176.100000113.6I212 C213 T220I212-G216 PolarHBondContact O-N 3.45Å; C213-G216 PolarHBondContact O-N 3.03Å; G216-T220 WeakPolarHBondContact O-CB 3.23Å; G216-T220 PolarHBondContact O-N 3.05Å; G216-T220 VanDerWaalsContact O-N 3.09Å; G216-T220 PolarHBondContact O-OG1 3.1Å
217I86.2Confident83.1Confident3 Ų384.6 Ų84.62%0.01542%0.42CS..Hα-helixtrans-61.4-49.6174-70.6164.5000110Y127 V130 V131 C213 Y214 K219 T220 L221 V234Y127-I217 HydrophobicContact CD2-CG1 4.19Å; V130-I217 HydrophobicContact CB-CG1 4.37Å; V130-I217 HydrophobicContact CG1-CG1 4.48Å; V130-I217 HydrophobicContact CG1-CG2 4.35Å; V131-I217 HydrophobicContact CG2-CG1 4.36Å; C213-I217 WeakPolarHBondContact O-CB 3.27Å; C213-I217 WeakPolarHBondContact O-CD1 3.47Å; C213-I217 VanDerWaalsContact O-CG1 3.23Å; C213-I217 WeakPolarHBondContact O-CG1 3.39Å; C213-I217 PolarHBondContact O-N 3.21Å; Y214-I217 HydrophobicContact CD1-CD1 4.24Å; Y214-I217 HydrophobicContact CE1-CD1 4.32Å; Y214-I217 PolarHBondContact O-N 3.29Å; I217-K219 PolarHBondContact O-N 2.98Å; I217-T220 PolarHBondContact O-N 3.1Å; I217-L221 HydrophobicContact CG2-CD1 3.66Å; I217-L221 HydrophobicContact CG2-CG 4.03Å; I217-L221 WeakPolarHBondContact O-CB 3.35Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.3Å; I217-L221 PolarHBondContact O-N 3.41Å; I217-V234 HydrophobicContact CG2-CG1 3.81Å; I217-V234 HydrophobicContact CG2-CG2 4.12Å
218L85.3Confident81.6Confident104 Ų10489.6 Ų89.655%0.54544%0.438SS..Hα-helixtrans-61.4-45.7-178.3-174.262.1000111.2Y214 S215 T220 L221 L222Y214-L218 WeakPolarHBondContact O-CB 3.42Å; Y214-L218 PolarHBondContact O-N 3.02Å; S215-L218 PolarHBondContact O-N 2.96Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.38Å; L218-L221 PolarHBondContact O-N 3.08Å; L218-L222 HydrophobicContact CD1-CD1 4.47Å; L218-L222 HydrophobicContact CD1-CG 4.39Å; L218-L222 HydrophobicContact CG-CD1 4.12Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CB 3.46Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.46Å; L218-L222 PolarHBondContact O-N 3.27Å
219K86.5Confident80Confident166 Ų16693.3 Ų93.372%0.72245%0.45SS*.Hα-helixtrans-56.2-41.7175.4-172.5175.6-178.1176.20112.1S215 I217 R223S215-K219 WeakPolarHBondContact O-CB 3.4Å; S215-K219 PolarHBondContact O-N 2.83Å; I217-K219 PolarHBondContact O-N 2.98Å; K219-R223 PolarHBondContact O-N 3.44Å
220T81.3Confident78.7Confident33 Ų3395.1 Ų95.120%0.20246%0.455CS..Hα-helixtrans-74.9-36.8-179.8-53.20000112.4V130 G216 I217 L218 R223 C224V130-T220 HydrophobicContact CG1-CG2 4.11Å; G216-T220 WeakPolarHBondContact O-CB 3.23Å; G216-T220 PolarHBondContact O-N 3.05Å; G216-T220 VanDerWaalsContact O-N 3.09Å; G216-T220 PolarHBondContact O-OG1 3.1Å; I217-T220 PolarHBondContact O-N 3.1Å; L218-T220 VanDerWaalsContact C-N 3.27Å; L218-T220 PolarHBondContact O-N 3.38Å; T220-R223 PolarHBondContact O-N 2.79Å; T220-C224 PolarHBondContact O-N 3.22Å; T220-C224 VanDerWaalsContact O-N 3.09Å
221L77.4Confident77.8Confident24 Ų2497.2 Ų97.213%0.12646%0.464CS..Hα-helixtrans-67.4-38.8176.2-72.1-179.7000112I217 L218 R223 C224 R230 V234I217-L221 HydrophobicContact CG2-CD1 3.66Å; I217-L221 HydrophobicContact CG2-CG 4.03Å; I217-L221 WeakPolarHBondContact O-CB 3.35Å; I217-L221 VanDerWaalsContact O-CG 3.28Å; I217-L221 WeakPolarHBondContact O-CG 3.3Å; I217-L221 PolarHBondContact O-N 3.41Å; L218-L221 PolarHBondContact O-N 3.08Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 3.44Å; L221-C224 CarbonylContact O-C 3.5Å; L221-C224 PolarHBondContact O-N 3.23Å; L221-R230 HydrophobicContact CD2-CG 4.37Å; L221-V234 HydrophobicContact CD1-CG1 4.45Å
222L78.4Confident76.8Confident137 Ų13796.3 Ų96.372%0.71745%0.451SS*.Hα-helixtrans-64.4-33.7174.9-70.2171.2000112L218L218-L222 HydrophobicContact CD1-CD1 4.47Å; L218-L222 HydrophobicContact CD1-CG 4.39Å; L218-L222 HydrophobicContact CG-CD1 4.12Å; L218-L222 HydrophobicContact CG-CG 4.48Å; L218-L222 WeakPolarHBondContact O-CB 3.46Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.46Å; L218-L222 PolarHBondContact O-N 3.27Å
223R77.8Confident75.8Confident225 Ų22593.4 Ų93.485%0.84944%0.441SS*.Hα-helixtrans-77.8-27.9178.4-166.4173.3-178.4-178.11113.6K219 T220 L221K219-R223 PolarHBondContact O-N 3.44Å; T220-R223 PolarHBondContact O-N 2.79Å; L221-R223 VanDerWaalsContact C-N 3.28Å; L221-R223 PolarHBondContact O-N 3.44Å
224C66.5Low75.2Confident61 Ų6193.7 Ų93.741%0.41244%0.442SS..  trans-125.592.7-173.9-66.90000111T220 L221 N226 R230T220-C224 PolarHBondContact O-N 3.22Å; T220-C224 VanDerWaalsContact O-N 3.09Å; L221-C224 CarbonylContact O-C 3.5Å; L221-C224 PolarHBondContact O-N 3.23Å; C224-N226 PolarHBondContact O-N 3.45Å; C224-R230 PolarHBondContact O-NH2 3.01Å
225R62.6Low74.9Confident226 Ų22699.1 Ų99.185%0.85346%0.462SS*.  trans-78.1-7.1-167.5-171.8155.7129.1162.3-5.2116.7
226N56.2Low74.6Confident143 Ų14397.2 Ų97.277%0.76545%0.446SS*.  trans-107.510.8-157.6-73.8-5.1000118.6C224C224-N226 PolarHBondContact O-N 3.45Å
227E65.6Low74.4Confident116 Ų11696.8 Ų96.854%0.54244%0.44SS..  trans-121.183.6-173.7-72-63.8162.200114.8K229 R230 H231E227-K229 PolarHBondContact O-N 3.08Å; E227-K229 VanDerWaalsContact O-N 3.13Å; E227-R230 HydrophobicContact CB-CB 4.02Å; E227-R230 WeakPolarHBondContact O-CB 3.22Å; E227-R230 PolarHBondContact O-N 3.37Å; E227-H231 PolarHBondContact O-CD2 2.9Å; E227-H231 PolarHBondContact O-N 3.07Å
228K64.4Low74.5Confident192 Ų192100.7 Ų100.784%0.83546%0.458SS*.Hα-helixtrans-51.8-36.1179.8-70-178.2-179.71770113.8R230K228-R230 PolarHBondContact O-N 3.09Å
229K61.9Low74.7Confident174 Ų17497.7 Ų97.776%0.75744%0.444SS*.Hα-helixtrans-69.6-31.6-178.8-166176.4178.9-177.50112.7E227E227-K229 PolarHBondContact O-N 3.08Å; E227-K229 VanDerWaalsContact O-N 3.13Å
230R67.8Low74.8Confident58 Ų5889.9 Ų89.922%0.21941%0.41CS..Hα-helixtrans-69.3-43177.6-172.3173.865.41740.3111.4V130 L221 C224 E227 K228 R232 A233 V234V130-R230 HydrophobicContact CG2-CG 3.99Å; L221-R230 HydrophobicContact CD2-CG 4.37Å; C224-R230 PolarHBondContact O-NH2 3.01Å; E227-R230 HydrophobicContact CB-CB 4.02Å; E227-R230 WeakPolarHBondContact O-CB 3.22Å; E227-R230 PolarHBondContact O-N 3.37Å; K228-R230 PolarHBondContact O-N 3.09Å; R230-R232 PolarHBondContact O-N 3.4Å; R230-A233 PolarHBondContact O-N 2.79Å; R230-V234 WeakPolarHBondContact O-CG2 3.37Å; R230-V234 PolarHBondContact O-N 2.93Å
231H71.3Confident75.3Confident75 Ų7588.3 Ų88.335%0.34740%0.4SS..Hα-helixtrans-58.6-36.8177.3-68-75.4000112.7E227 R235E227-H231 PolarHBondContact O-CD2 2.9Å; E227-H231 PolarHBondContact O-N 3.07Å; H231-R235 WeakPolarHBondContact O-CB 3.26Å; H231-R235 PolarHBondContact O-N 3.29Å
232R72.9Confident76Confident71 Ų7189.9 Ų89.927%0.26841%0.408SS..Hα-helixtrans-66.7-45.6-178.8-169.9-168.3-175.9138.826113.5R230 V234 R235 L236 V300 E302R230-R232 PolarHBondContact O-N 3.4Å; R232-V234 VanDerWaalsContact C-N 3.34Å; R232-R235 PolarHBondContact O-N 3.36Å; R232-L236 PolarHBondContact O-N 3.38Å; R232-V300 PolarHBondContact NH2-O 3.21Å; R232-V300 VanDerWaalsContact NH2-O 3.15Å; R232-E302 IonicContact CZ-OE1 2.92Å; R232-E302 IonicContact CZ-OE2 2.7Å; R232-E302 IonicContact NH1-OE1 3.56Å; R232-E302 PolarHBondContact NH1-OE1 3.26Å; R232-E302 IonicContact NH1-OE2 2.72Å; R232-E302 PolarHBondContact NH1-OE2 2.97Å; R232-E302 IonicContact NH2-OE1 2.61Å; R232-E302 PolarHBondContact NH2-OE1 3.28Å; R232-E302 IonicContact NH2-OE2 3.12Å
233A72.2Confident76.7Confident32 Ų3284.5 Ų84.526%0.26438%0.381SS..Hα-helixtrans-67-38.6-179.300000111.4R230 L236 I237R230-A233 PolarHBondContact O-N 2.79Å; A233-L236 PolarHBondContact O-N 3.09Å; A233-I237 PolarHBondContact O-N 2.72Å
234V79.6Confident77.5Confident14 Ų1474 Ų749%0.08534%0.341CS..Hα-helixtrans-61.8-45172.4174.10000110.6V130 Y214 I217 L221 R230 R232 L236 I237 F238V130-V234 HydrophobicContact CG2-CG2 4.08Å; Y214-V234 HydrophobicContact CE1-CG1 4.12Å; I217-V234 HydrophobicContact CG2-CG1 3.81Å; I217-V234 HydrophobicContact CG2-CG2 4.12Å; L221-V234 HydrophobicContact CD1-CG1 4.45Å; R230-V234 WeakPolarHBondContact O-CG2 3.37Å; R230-V234 PolarHBondContact O-N 2.93Å; R232-V234 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.47Å; V234-I237 PolarHBondContact O-N 3Å; V234-F238 VanDerWaalsContact O-CB 3.26Å; V234-F238 WeakPolarHBondContact O-CB 3.27Å; V234-F238 PolarHBondContact O-N 2.91Å
235R82.4Confident78.8Confident141 Ų14172.2 Ų72.253%0.53233%0.326SS..Hα-helixtrans-59.3-44.9177.8-171.9175.570.3-171.44.7112.1H231 R232 I237 F238 T239H231-R235 WeakPolarHBondContact O-CB 3.26Å; H231-R235 PolarHBondContact O-N 3.29Å; R232-R235 PolarHBondContact O-N 3.36Å; R235-I237 PolarHBondContact O-N 3.33Å; R235-F238 PolarHBondContact O-N 3.45Å; R235-T239 WeakPolarHBondContact O-CB 3.27Å; R235-T239 PolarHBondContact O-N 3.39Å; R235-T239 PolarHBondContact O-OG1 2.81Å
236L83.3Confident80.4Confident31 Ų3166.8 Ų66.816%0.16231%0.314CS..Hα-helixtrans-57.7-51.5178.1176.465.4000111.8R232 A233 V234 F238 T239 I240 I296 Y297 V300R232-L236 PolarHBondContact O-N 3.38Å; A233-L236 PolarHBondContact O-N 3.09Å; V234-L236 PolarHBondContact O-N 3.47Å; L236-F238 VanDerWaalsContact C-N 3.33Å; L236-F238 PolarHBondContact O-N 2.91Å; L236-T239 PolarHBondContact O-N 3.34Å; L236-I240 HydrophobicContact CD1-CD1 4.23Å; L236-I240 HydrophobicContact CG-CD1 4.1Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3Å; L236-I296 HydrophobicContact CD1-CG2 3.9Å; L236-Y297 HydrophobicContact CD1-CD1 4.1Å; L236-Y297 HydrophobicContact CD1-CE1 4.44Å; L236-Y297 HydrophobicContact CD2-CD1 4.5Å; L236-V300 HydrophobicContact CB-CG1 4.04Å; L236-V300 HydrophobicContact CD1-CB 3.79Å; L236-V300 HydrophobicContact CD1-CG1 3.73Å
237I83.9Confident82.2Confident6 Ų661.9 Ų61.93%0.03129%0.286CS..Hα-helixtrans-72.2-32.6-175-70.8168.6000111.1L122 R126 Y214 A233 V234 R235 I240 M241L122-I237 HydrophobicContact CB-CD1 4.23Å; L122-I237 HydrophobicContact CB-CG2 4.3Å; L122-I237 HydrophobicContact CD2-CD1 4.26Å; R126-I237 HydrophobicContact CG-CB 4.25Å; R126-I237 HydrophobicContact CG-CD1 3.13Å; R126-I237 HydrophobicContact CG-CG1 4.22Å; R126-I237 HydrophobicContact CG-CG2 4.32Å; Y214-I237 VanDerWaalsContact OH-C 3.3Å; A233-I237 PolarHBondContact O-N 2.72Å; V234-I237 PolarHBondContact O-N 3Å; R235-I237 PolarHBondContact O-N 3.33Å; I237-I240 PolarHBondContact O-N 3.2Å; I237-M241 PolarHBondContact O-N 2.85Å
238F86.8Confident83.6Confident86 Ų8656.8 Ų56.838%0.37726%0.262SS..Hα-helixtrans-62.6-44.7171.1-175.7-105.1000111.7M210 Y214 V234 R235 L236 I240 M241 I242M210-F238 HydrophobicContact CE-CD2 4.24Å; M210-F238 HydrophobicContact CE-CE2 3.56Å; M210-F238 HydrophobicContact CE-CZ 4.28Å; Y214-F238 AromaticContact CD1-CD2 3.73Å; Y214-F238 HydrophobicContact CD1-CD2 3.73Å; Y214-F238 HydrophobicContact CD1-CE2 4.37Å; Y214-F238 HydrophobicContact CD2-CD2 4.24Å; Y214-F238 HydrophobicContact CE1-CB 3.69Å; Y214-F238 AromaticContact CE1-CD2 3.46Å; Y214-F238 HydrophobicContact CE1-CD2 3.46Å; Y214-F238 VanDerWaalsContact CE1-CD2 3.46Å; Y214-F238 HydrophobicContact CE1-CE2 4.49Å; Y214-F238 AromaticContact CE1-CG 4Å; Y214-F238 HydrophobicContact CE1-CG 4Å; Y214-F238 AromaticContact CE2-CD2 3.99Å; Y214-F238 HydrophobicContact CE2-CD2 3.99Å; Y214-F238 HydrophobicContact CG-CD2 4.13Å; Y214-F238 HydrophobicContact CG-CE2 4.48Å; Y214-F238 AromaticContact CZ-CD2 3.61Å; Y214-F238 WeakPolarHBondContact OH-CA 3.2Å; Y214-F238 PolarHBondContact OH-N 2.91Å; V234-F238 VanDerWaalsContact O-CB 3.26Å; V234-F238 WeakPolarHBondContact O-CB 3.27Å; V234-F238 PolarHBondContact O-N 2.91Å; R235-F238 PolarHBondContact O-N 3.45Å; L236-F238 VanDerWaalsContact C-N 3.33Å; L236-F238 PolarHBondContact O-N 2.91Å; F238-I240 PolarHBondContact O-N 3.46Å; F238-M241 PolarHBondContact O-N 3.33Å; F238-I242 HydrophobicContact CD1-CG1 4.12Å; F238-I242 HydrophobicContact CD2-CG1 4.38Å; F238-I242 HydrophobicContact CE1-CD1 4.32Å; F238-I242 HydrophobicContact CE1-CG1 3.76Å; F238-I242 HydrophobicContact CE2-CD1 4.09Å; F238-I242 HydrophobicContact CE2-CG1 4.07Å; F238-I242 HydrophobicContact CG-CG1 4.43Å; F238-I242 HydrophobicContact CZ-CD1 3.82Å; F238-I242 HydrophobicContact CZ-CG1 3.74Å; F238-I242 WeakPolarHBondContact O-CG1 3.15Å; F238-I242 PolarHBondContact O-N 3.49Å
239T89.5Confident85.1Confident41 Ų4148.5 Ų48.525%0.25223%0.229SC..Hα-helixtrans-59.6-45.8175.5-60.30000111.6R235 L236 M241 I242 V243 I296 V300R235-T239 WeakPolarHBondContact O-CB 3.27Å; R235-T239 PolarHBondContact O-N 3.39Å; R235-T239 PolarHBondContact O-OG1 2.81Å; L236-T239 PolarHBondContact O-N 3.34Å; T239-M241 VanDerWaalsContact C-N 3.33Å; T239-M241 PolarHBondContact O-N 2.81Å; T239-I242 PolarHBondContact O-N 3.33Å; T239-V243 HydrophobicContact CG2-CG2 4.27Å; T239-V243 WeakPolarHBondContact O-CB 3.42Å; T239-V243 VanDerWaalsContact O-CG2 3.25Å; T239-V243 WeakPolarHBondContact O-CG2 3.06Å; T239-V243 PolarHBondContact O-N 3.43Å; T239-I296 HydrophobicContact CG2-CG1 4.5Å; T239-I296 HydrophobicContact CG2-CG2 3.97Å; T239-V300 HydrophobicContact CG2-CG2 4.49Å
240I89.8Confident86.7Confident2 Ų242.1 Ų42.11%0.0121%0.205CC..Hα-helixtrans-58.7-46.3177.9-65165.3000110.8I119 L236 I237 F238 V243 Y244 I296 Y297I119-I240 HydrophobicContact CD1-CG2 4.02Å; I119-I240 HydrophobicContact CG1-CG2 3.97Å; I119-I240 HydrophobicContact CG2-CG2 4.49Å; L236-I240 HydrophobicContact CD1-CD1 4.23Å; L236-I240 HydrophobicContact CG-CD1 4.1Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3Å; I237-I240 PolarHBondContact O-N 3.2Å; F238-I240 PolarHBondContact O-N 3.46Å; I240-V243 PolarHBondContact O-N 2.61Å; I240-Y244 PolarHBondContact O-N 2.9Å; I240-I296 HydrophobicContact CG1-CD1 4.28Å; I240-I296 HydrophobicContact CG1-CG2 3.95Å; I240-Y297 HydrophobicContact CD1-CE1 3.63Å
241M90.1Very high88Confident0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-64.1-45.9179.8-17568.480.500112.7I119 T123 P206 M210 I237 F238 T239 Y244 F245I119-M241 HydrophobicContact CG2-CB 4.43Å; I119-M241 HydrophobicContact CG2-CE 3.49Å; I119-M241 VanDerWaalsContact CG2-CE 3.49Å; I119-M241 HydrophobicContact CG2-SD 3.63Å; T123-M241 HydrophobicContact CG2-CE 4.27Å; T123-M241 WeakPolarHBondContact OG1-CE 3.44Å; P206-M241 HydrophobicContact CB-SD 4.36Å; M210-M241 HydrophobicContact CB-CG 4.49Å; M210-M241 HydrophobicContact CG-CG 4.2Å; M210-M241 HydrophobicContact SD-CG 4.03Å; I237-M241 PolarHBondContact O-N 2.85Å; F238-M241 PolarHBondContact O-N 3.33Å; T239-M241 VanDerWaalsContact C-N 3.33Å; T239-M241 PolarHBondContact O-N 2.81Å; M241-Y244 WeakPolarHBondContact O-CB 3.41Å; M241-Y244 PolarHBondContact O-N 3.48Å; M241-F245 HydrophobicContact CG-CD2 4.08Å; M241-F245 HydrophobicContact CG-CE2 3.59Å; M241-F245 WeakPolarHBondContact O-CD2 3.35Å; M241-F245 PolarHBondContact O-N 2.99Å; M241-F245 VanDerWaalsContact O-N 3.16Å; M241-F245 HydrophobicContact SD-CD2 4.37Å; M241-F245 HydrophobicContact SD-CE2 3.59Å; M241-F245 VanDerWaalsContact SD-CE2 3.59Å; M241-F245 HydrophobicContact SD-CZ 4.04Å
242I92.8Very high89.1Confident57 Ų5737 Ų3729%0.29218%0.183SC..Hα-helixtrans-63-44.8178.7-67-66.9000110.8M210 F238 T239 Y244 F245 L246M210-I242 HydrophobicContact CE-CD1 3.3Å; M210-I242 HydrophobicContact CE-CG1 4.22Å; M210-I242 HydrophobicContact SD-CD1 4.49Å; F238-I242 HydrophobicContact CD1-CG1 4.12Å; F238-I242 HydrophobicContact CD2-CG1 4.38Å; F238-I242 HydrophobicContact CE1-CD1 4.32Å; F238-I242 HydrophobicContact CE1-CG1 3.76Å; F238-I242 HydrophobicContact CE2-CD1 4.09Å; F238-I242 HydrophobicContact CE2-CG1 4.07Å; F238-I242 HydrophobicContact CG-CG1 4.43Å; F238-I242 HydrophobicContact CZ-CD1 3.82Å; F238-I242 HydrophobicContact CZ-CG1 3.74Å; F238-I242 WeakPolarHBondContact O-CG1 3.15Å; F238-I242 PolarHBondContact O-N 3.49Å; T239-I242 PolarHBondContact O-N 3.33Å; I242-Y244 VanDerWaalsContact C-N 3.3Å; I242-Y244 PolarHBondContact O-N 3.44Å; I242-F245 PolarHBondContact O-N 3.3Å; I242-L246 HydrophobicContact CG2-CD1 3.99Å; I242-L246 HydrophobicContact CG2-CG 4.28Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.36Å
243V94.2Very high90.1Very high23 Ų2337.9 Ų37.914%0.13919%0.192CC..Hα-helixtrans-62.4-39.7178.41720000110.9T239 I240 F245 L246 F247 I292 I296T239-V243 HydrophobicContact CG2-CG2 4.27Å; T239-V243 WeakPolarHBondContact O-CB 3.42Å; T239-V243 VanDerWaalsContact O-CG2 3.25Å; T239-V243 WeakPolarHBondContact O-CG2 3.06Å; T239-V243 PolarHBondContact O-N 3.43Å; I240-V243 PolarHBondContact O-N 2.61Å; V243-F245 VanDerWaalsContact C-N 3.35Å; V243-F245 PolarHBondContact O-N 2.78Å; V243-L246 PolarHBondContact O-N 2.98Å; V243-F247 HydrophobicContact CG1-CD2 3.87Å; V243-F247 HydrophobicContact CG1-CE2 3.85Å; V243-F247 WeakPolarHBondContact O-CD2 3.36Å; V243-F247 PolarHBondContact O-N 3.29Å; V243-F247 VanDerWaalsContact O-N 3.15Å; V243-I292 HydrophobicContact CG1-CB 4.42Å; V243-I292 HydrophobicContact CG1-CG2 3.7Å; V243-I296 HydrophobicContact CB-CD1 3.95Å; V243-I296 HydrophobicContact CG1-CD1 4Å; V243-I296 HydrophobicContact CG2-CD1 3.98Å
244Y93.5Very high91.1Very high4 Ų437.1 Ų37.12%0.01618%0.184CC..Hα-helixtrans-55-49.7172.7175.5-91.4000111.8I116 I119 G202 I240 M241 I242 L246 F247 W248 H289I116-Y244 HydrophobicContact CB-CE2 4.07Å; I116-Y244 HydrophobicContact CD1-CD1 3.62Å; I116-Y244 HydrophobicContact CD1-CD2 4.22Å; I116-Y244 HydrophobicContact CD1-CE1 3.28Å; I116-Y244 HydrophobicContact CD1-CE2 3.92Å; I116-Y244 HydrophobicContact CD1-CG 4.08Å; I116-Y244 VanDerWaalsContact CD1-CZ 3.45Å; I116-Y244 HydrophobicContact CG1-CE1 3.89Å; I116-Y244 HydrophobicContact CG1-CE2 4.31Å; I119-Y244 HydrophobicContact CD1-CD2 3.94Å; I119-Y244 HydrophobicContact CD1-CG 4.17Å; G202-Y244 VanDerWaalsContact O-CE1 3.31Å; G202-Y244 WeakPolarHBondContact O-CE1 3.23Å; G202-Y244 PolarHBondContact O-OH 3.32Å; G202-Y244 VanDerWaalsContact O-OH 3.11Å; I240-Y244 PolarHBondContact O-N 2.9Å; M241-Y244 WeakPolarHBondContact O-CB 3.41Å; M241-Y244 PolarHBondContact O-N 3.48Å; I242-Y244 VanDerWaalsContact C-N 3.3Å; I242-Y244 PolarHBondContact O-N 3.44Å; Y244-L246 PolarHBondContact O-N 3.14Å; Y244-F247 PolarHBondContact O-N 3.41Å; Y244-W248 AromaticContact CD2-CD1 3.48Å; Y244-W248 VanDerWaalsContact CD2-CD1 3.48Å; Y244-W248 HydrophobicContact CD2-CG 4.28Å; Y244-W248 HydrophobicContact CE1-CB 4.21Å; Y244-W248 HydrophobicContact CE2-CB 4.19Å; Y244-W248 AromaticContact CE2-CD1 3.33Å; Y244-W248 AromaticContact CE2-CG 3.82Å; Y244-W248 HydrophobicContact CE2-CG 3.82Å; Y244-W248 AromaticContact CE2-NE1 3.91Å; Y244-W248 AromaticContact CZ-CD1 3.99Å; Y244-W248 WeakPolarHBondContact O-CB 3.27Å; Y244-W248 PolarHBondContact O-N 2.67Å; Y244-H289 AromaticContact CD2-CE1 3.84Å; Y244-H289 AromaticContact CD2-NE2 3.91Å
245F94.6Very high91.7Very high25 Ų2537.2 Ų37.211%0.1118%0.184CC..Hα-helixtrans-64.5-39.4178.8-71.8-59.4000113.2L203 P206 L207 M210 M241 I242 V243 F247 A249L203-F245 HydrophobicContact CD1-CD1 3.79Å; L203-F245 HydrophobicContact CD1-CE1 3.89Å; P206-F245 HydrophobicContact CB-CE1 4.26Å; P206-F245 HydrophobicContact CB-CZ 3.82Å; P206-F245 HydrophobicContact CG-CE1 4.01Å; P206-F245 HydrophobicContact CG-CZ 4.07Å; L207-F245 HydrophobicContact CB-CE1 4.18Å; L207-F245 HydrophobicContact CB-CZ 3.96Å; M210-F245 HydrophobicContact SD-CD2 4.07Å; M210-F245 HydrophobicContact SD-CE2 3.58Å; M210-F245 VanDerWaalsContact SD-CE2 3.58Å; M241-F245 HydrophobicContact CG-CD2 4.08Å; M241-F245 HydrophobicContact CG-CE2 3.59Å; M241-F245 WeakPolarHBondContact O-CD2 3.35Å; M241-F245 PolarHBondContact O-N 2.99Å; M241-F245 VanDerWaalsContact O-N 3.16Å; M241-F245 HydrophobicContact SD-CD2 4.37Å; M241-F245 HydrophobicContact SD-CE2 3.59Å; M241-F245 VanDerWaalsContact SD-CE2 3.59Å; M241-F245 HydrophobicContact SD-CZ 4.04Å; I242-F245 PolarHBondContact O-N 3.3Å; V243-F245 VanDerWaalsContact C-N 3.35Å; V243-F245 PolarHBondContact O-N 2.78Å; F245-F247 PolarHBondContact O-N 2.85Å; F245-A249 WeakPolarHBondContact O-CA 3.28Å; F245-A249 WeakPolarHBondContact O-CB 3.29Å; F245-A249 PolarHBondContact O-N 3.26Å
246L95.6Very high92.2Very high112 Ų11233.1 Ų33.159%0.58617%0.172SC*.Hα-helixtrans-59.8-34.3177.8-71.3173.6000112.3I242 V243 Y244I242-L246 HydrophobicContact CG2-CD1 3.99Å; I242-L246 HydrophobicContact CG2-CG 4.28Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.36Å; V243-L246 PolarHBondContact O-N 2.98Å; Y244-L246 PolarHBondContact O-N 3.14Å
247F94.8Very high92.6Very high40 Ų4034 Ų3418%0.17518%0.177CC..Hα-helixtrans-90.5-39.3-177.2-77.5-114.7000112.5V243 Y244 F245 L285 T288 H289 I292V243-F247 HydrophobicContact CG1-CD2 3.87Å; V243-F247 HydrophobicContact CG1-CE2 3.85Å; V243-F247 WeakPolarHBondContact O-CD2 3.36Å; V243-F247 PolarHBondContact O-N 3.29Å; V243-F247 VanDerWaalsContact O-N 3.15Å; Y244-F247 PolarHBondContact O-N 3.41Å; F245-F247 PolarHBondContact O-N 2.85Å; F247-L285 HydrophobicContact CD1-CD1 3.96Å; F247-L285 HydrophobicContact CD1-CG 4.29Å; F247-L285 VanDerWaalsContact CD1-O 3.31Å; F247-L285 WeakPolarHBondContact CD1-O 3.28Å; F247-L285 HydrophobicContact CE1-CD1 4.05Å; F247-L285 HydrophobicContact CG-CD1 4.49Å; F247-T288 WeakPolarHBondContact CD1-OG1 3.42Å; F247-T288 VanDerWaalsContact CE1-OG1 3.25Å; F247-T288 WeakPolarHBondContact CE1-OG1 3.47Å; F247-H289 HydrophobicContact CB-CB 3.91Å; F247-H289 HydrophobicContact CD1-CB 3.98Å; F247-H289 HydrophobicContact CG-CB 4.16Å; F247-I292 HydrophobicContact CD1-CG1 4.48Å; F247-I292 HydrophobicContact CE1-CD1 4.17Å; F247-I292 HydrophobicContact CE1-CG1 3.76Å; F247-I292 HydrophobicContact CZ-CD1 4.06Å; F247-I292 HydrophobicContact CZ-CG1 3.8Å
248W95.1Very high92.8Very high9 Ų934.9 Ų34.93%0.03418%0.182CC..Hα-helixtrans-100.5-27.4-172.7-75.7103.6000115.1F79 F112 Y244 P250 Y251 N252 G286 H289F79-W248 AromaticContact CE2-CH2 3.95Å; F79-W248 HydrophobicContact CE2-CH2 3.95Å; F79-W248 HydrophobicContact CE2-CZ2 4.12Å; F79-W248 AromaticContact CZ-CH2 3.8Å; F79-W248 HydrophobicContact CZ-CH2 3.8Å; F79-W248 AromaticContact CZ-CZ2 3.92Å; F79-W248 HydrophobicContact CZ-CZ2 3.92Å; F112-W248 HydrophobicContact CD2-CD2 4.14Å; F112-W248 AromaticContact CD2-CE3 3.99Å; F112-W248 HydrophobicContact CD2-CE3 3.99Å; F112-W248 AromaticContact CD2-CH2 3.61Å; F112-W248 HydrophobicContact CD2-CH2 3.61Å; F112-W248 AromaticContact CD2-CZ2 3.79Å; F112-W248 HydrophobicContact CD2-CZ2 3.79Å; F112-W248 AromaticContact CD2-CZ3 3.72Å; F112-W248 HydrophobicContact CD2-CZ3 3.72Å; F112-W248 AromaticContact CE2-CD2 3.68Å; F112-W248 HydrophobicContact CE2-CD2 3.68Å; F112-W248 AromaticContact CE2-CE3 3.45Å; F112-W248 HydrophobicContact CE2-CE3 3.45Å; F112-W248 VanDerWaalsContact CE2-CE3 3.45Å; F112-W248 HydrophobicContact CE2-CG 4.35Å; F112-W248 AromaticContact CE2-CH2 3.98Å; F112-W248 HydrophobicContact CE2-CH2 3.98Å; F112-W248 HydrophobicContact CE2-CZ2 4.2Å; F112-W248 AromaticContact CE2-CZ3 3.61Å; F112-W248 HydrophobicContact CE2-CZ3 3.61Å; F112-W248 HydrophobicContact CZ-CE3 4.49Å; Y244-W248 AromaticContact CD2-CD1 3.48Å; Y244-W248 VanDerWaalsContact CD2-CD1 3.48Å; Y244-W248 HydrophobicContact CD2-CG 4.28Å; Y244-W248 HydrophobicContact CE1-CB 4.21Å; Y244-W248 HydrophobicContact CE2-CB 4.19Å; Y244-W248 AromaticContact CE2-CD1 3.33Å; Y244-W248 AromaticContact CE2-CG 3.82Å; Y244-W248 HydrophobicContact CE2-CG 3.82Å; Y244-W248 AromaticContact CE2-NE1 3.91Å; Y244-W248 AromaticContact CZ-CD1 3.99Å; Y244-W248 WeakPolarHBondContact O-CB 3.27Å; Y244-W248 PolarHBondContact O-N 2.67Å; W248-P250 VanDerWaalsContact C-CD 3.48Å; W248-Y251 HydrophobicContact CE3-CD1 4.11Å; W248-Y251 HydrophobicContact CZ3-CD1 4.11Å; W248-Y251 PolarHBondContact O-N 2.99Å; W248-N252 PolarHBondContact O-N 3.16Å; W248-N252 VanDerWaalsContact O-N 3.09Å; W248-N252 PolarHBondContact O-ND2 2.8Å; W248-G286 VanDerWaalsContact CZ2-O 3.24Å; W248-G286 WeakPolarHBondContact CZ2-O 3.32Å; W248-H289 AromaticContact CD1-CG 3.86Å; W248-H289 AromaticContact NE1-CG 3.51Å; W248-H289 AromaticContact NE1-ND1 3.55Å
249A94.5Very high92.9Very high18 Ų1831.2 Ų31.215%0.14917%0.166CC..Hα-helixtrans-60.6-40.4178.800000112.9L203 F245 Y251 N252 I253L203-A249 HydrophobicContact CD1-CB 3.75Å; F245-A249 WeakPolarHBondContact O-CA 3.28Å; F245-A249 WeakPolarHBondContact O-CB 3.29Å; F245-A249 PolarHBondContact O-N 3.26Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.46Å; A249-N252 PolarHBondContact O-N 3.25Å; A249-I253 WeakPolarHBondContact O-CD1 3.31Å; A249-I253 VanDerWaalsContact O-CG1 3.25Å; A249-I253 WeakPolarHBondContact O-CG1 3.38Å; A249-I253 PolarHBondContact O-N 3.1Å
250P96.1Very high92.9Very high40 Ų4031.9 Ų31.926%0.2617%0.166SC..Hα-helixtrans-55.3-45.8176-26.736000112.4W248 I253 V254 T282 L285W248-P250 VanDerWaalsContact C-CD 3.48Å; P250-I253 PolarHBondContact O-N 3.37Å; P250-V254 VanDerWaalsContact O-CG2 3.32Å; P250-V254 WeakPolarHBondContact O-CG2 3.38Å; P250-V254 PolarHBondContact O-N 3.08Å; P250-T282 HydrophobicContact CB-CG2 3.6Å; P250-L285 HydrophobicContact CG-CD2 4.25Å
251Y94.1Very high92.6Very high24 Ų2433.3 Ų33.39%0.09417%0.173CC..Hα-helixtrans-63.4-46.7178174.1-103.3000112.1W248 A249 I253 V254 L255 M279 E283W248-Y251 HydrophobicContact CE3-CD1 4.11Å; W248-Y251 HydrophobicContact CZ3-CD1 4.11Å; W248-Y251 PolarHBondContact O-N 2.99Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.46Å; Y251-I253 VanDerWaalsContact C-N 3.3Å; Y251-I253 PolarHBondContact O-N 3.39Å; Y251-V254 PolarHBondContact O-N 3.25Å; Y251-L255 HydrophobicContact CE1-CD2 4.22Å; Y251-L255 VanDerWaalsContact O-CB 3.28Å; Y251-L255 WeakPolarHBondContact O-CB 3.44Å; Y251-L255 PolarHBondContact O-N 2.87Å; Y251-M279 HydrophobicContact CE2-CG 4.27Å; Y251-E283 HydrophobicContact CD2-CB 3.67Å; Y251-E283 HydrophobicContact CD2-CG 4.35Å; Y251-E283 HydrophobicContact CE2-CB 3.7Å; Y251-E283 HydrophobicContact CE2-CG 4.03Å
252N94.6Very high92.3Very high1 Ų141.1 Ų41.11%0.00521%0.209CC..Hα-helixtrans-61.3-38.6179.4-78-86.7000112.3I198 V199 L203 W248 A249 L256I198-N252 WeakPolarHBondContact CG2-OD1 3.38Å; I198-N252 PolarHBondContact O-OD1 3.3Å; V199-N252 HydrophobicContact CG2-CB 4.42Å; L203-N252 HydrophobicContact CB-CB 4.2Å; L203-N252 HydrophobicContact CD2-CB 3.97Å; W248-N252 PolarHBondContact O-N 3.16Å; W248-N252 VanDerWaalsContact O-N 3.09Å; W248-N252 PolarHBondContact O-ND2 2.8Å; A249-N252 PolarHBondContact O-N 3.25Å; N252-L256 PolarHBondContact O-N 2.91Å; N252-L256 VanDerWaalsContact O-N 3.12Å
253I94.6Very high91.9Very high90 Ų9046.5 Ų46.546%0.46223%0.231SC..Hα-helixtrans-67.1-47.6176.6-66.7164.1000110.3L203 A249 P250 Y251 L255 L256 L257L203-I253 HydrophobicContact CD2-CG1 4.45Å; A249-I253 WeakPolarHBondContact O-CD1 3.31Å; A249-I253 VanDerWaalsContact O-CG1 3.25Å; A249-I253 WeakPolarHBondContact O-CG1 3.38Å; A249-I253 PolarHBondContact O-N 3.1Å; P250-I253 PolarHBondContact O-N 3.37Å; Y251-I253 VanDerWaalsContact C-N 3.3Å; Y251-I253 PolarHBondContact O-N 3.39Å; I253-L255 VanDerWaalsContact C-N 3.33Å; I253-L255 PolarHBondContact O-N 3.09Å; I253-L256 WeakPolarHBondContact O-CB 3.08Å; I253-L256 PolarHBondContact O-N 2.87Å; I253-L257 HydrophobicContact CG2-CD1 4.24Å; I253-L257 WeakPolarHBondContact O-CG 3.39Å; I253-L257 PolarHBondContact O-N 2.95Å
254V93.6Very high91.4Very high16 Ų1650.1 Ų50.110%0.09725%0.245CC..Hα-helixtrans-64.9-38.1179175.70000111.4P250 Y251 L256 L257 N258 A278 M279 T282P250-V254 VanDerWaalsContact O-CG2 3.32Å; P250-V254 WeakPolarHBondContact O-CG2 3.38Å; P250-V254 PolarHBondContact O-N 3.08Å; Y251-V254 PolarHBondContact O-N 3.25Å; V254-L256 VanDerWaalsContact C-N 3.31Å; V254-L256 PolarHBondContact O-N 3.28Å; V254-L257 PolarHBondContact O-N 3.46Å; V254-N258 VanDerWaalsContact O-CB 3.28Å; V254-N258 WeakPolarHBondContact O-CB 3.23Å; V254-N258 PolarHBondContact O-N 2.85Å; V254-A278 HydrophobicContact CG1-CB 4.08Å; V254-A278 HydrophobicContact CG2-CB 4.2Å; V254-M279 HydrophobicContact CG1-CB 3.87Å; V254-T282 HydrophobicContact CG2-CG2 4.09Å
255L92.3Very high90.7Very high16 Ų1652.1 Ų52.18%0.08427%0.267CS..Hα-helixtrans-60.5-40.7174.9-179.364.9000111.9T195 I198 Y251 I253 N258 T259T195-L255 HydrophobicContact CG2-CD2 4.33Å; T195-L255 HydrophobicContact CG2-CG 3.93Å; I198-L255 HydrophobicContact CB-CD2 4.06Å; I198-L255 HydrophobicContact CD1-CD2 3.98Å; I198-L255 HydrophobicContact CG2-CD2 3.8Å; Y251-L255 HydrophobicContact CE1-CD2 4.22Å; Y251-L255 VanDerWaalsContact O-CB 3.28Å; Y251-L255 WeakPolarHBondContact O-CB 3.44Å; Y251-L255 PolarHBondContact O-N 2.87Å; I253-L255 VanDerWaalsContact C-N 3.33Å; I253-L255 PolarHBondContact O-N 3.09Å; L255-N258 PolarHBondContact O-N 2.84Å; L255-T259 WeakPolarHBondContact O-CB 3.27Å; L255-T259 PolarHBondContact O-N 3.04Å; L255-T259 PolarHBondContact O-OG1 2.92Å
256L93.3Very high90Very high54 Ų5453.2 Ų53.228%0.28327%0.273SS..Hα-helixtrans-63.8-48.8174.8-169.874.8000111T195 V199 N252 I253 V254 N258 T259 F260T195-L256 HydrophobicContact CG2-CD1 4.36Å; V199-L256 HydrophobicContact CG2-CB 4.44Å; V199-L256 HydrophobicContact CG2-CD1 4.43Å; N252-L256 PolarHBondContact O-N 2.91Å; N252-L256 VanDerWaalsContact O-N 3.12Å; I253-L256 WeakPolarHBondContact O-CB 3.08Å; I253-L256 PolarHBondContact O-N 2.87Å; V254-L256 VanDerWaalsContact C-N 3.31Å; V254-L256 PolarHBondContact O-N 3.28Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 2.98Å; L256-T259 PolarHBondContact O-N 3.18Å; L256-F260 HydrophobicContact CD1-CD2 3.71Å; L256-F260 HydrophobicContact CD1-CE2 3.61Å; L256-F260 HydrophobicContact CG-CD2 4.11Å; L256-F260 HydrophobicContact CG-CE2 4.5Å; L256-F260 WeakPolarHBondContact O-CD2 3.37Å; L256-F260 PolarHBondContact O-N 2.93Å
257L91.3Very high89.1Confident49 Ų4952.9 Ų52.926%0.25727%0.272SS..Hα-helixtrans-60.2-40.5176.9-68.2173.7000112I253 V254 T259 F260 Q261 F264 L275I253-L257 HydrophobicContact CG2-CD1 4.24Å; I253-L257 WeakPolarHBondContact O-CG 3.39Å; I253-L257 PolarHBondContact O-N 2.95Å; V254-L257 PolarHBondContact O-N 3.46Å; L257-T259 VanDerWaalsContact C-N 3.32Å; L257-T259 PolarHBondContact O-N 3.21Å; L257-F260 CarbonylContact O-C 3.59Å; L257-Q261 WeakPolarHBondContact O-CA 3.36Å; L257-Q261 VanDerWaalsContact O-CG 3.31Å; L257-Q261 WeakPolarHBondContact O-CG 3.36Å; L257-Q261 PolarHBondContact O-N 3.46Å; L257-F264 HydrophobicContact CD2-CD1 4.41Å; L257-F264 HydrophobicContact CD2-CD2 3.72Å; L257-F264 HydrophobicContact CD2-CE2 3.84Å; L257-F264 HydrophobicContact CD2-CG 4.03Å; L257-F264 HydrophobicContact CD2-CZ 4.24Å; L257-L275 HydrophobicContact CB-CD2 3.99Å; L257-L275 HydrophobicContact CD1-CD2 4.49Å
258N88.5Confident88.5Confident25 Ų2555.5 Ų55.513%0.13429%0.288CS..Hα-helixtrans-68.1-30.8178.1-17252.4000112.8V254 L255 L256 Q261 M279V254-N258 VanDerWaalsContact O-CB 3.28Å; V254-N258 WeakPolarHBondContact O-CB 3.23Å; V254-N258 PolarHBondContact O-N 2.85Å; L255-N258 PolarHBondContact O-N 2.84Å; L256-N258 VanDerWaalsContact C-N 3.31Å; L256-N258 PolarHBondContact O-N 2.98Å; N258-Q261 WeakPolarHBondContact O-CG 3.4Å; N258-Q261 PolarHBondContact OD1-NE2 2.97Å; N258-Q261 VanDerWaalsContact OD1-NE2 3.08Å; N258-M279 HydrophobicContact CB-SD 4.48Å
259T88.3Confident87.7Confident9 Ų958.6 Ų58.66%0.05531%0.31CS..Hα-helixtrans-79.4-37.8178.6-59.50000111.9K191 N192 T195 L255 L256 L257K191-T259 HydrophobicContact CG-CG2 4.2Å; N192-T259 WeakPolarHBondContact OD1-CG2 3.35Å; T195-T259 WeakPolarHBondContact CB-OG1 3.3Å; T195-T259 HydrophobicContact CG2-CG2 4.16Å; T195-T259 WeakPolarHBondContact CG2-OG1 3.44Å; T195-T259 PolarHBondContact OG1-OG1 2.87Å; L255-T259 WeakPolarHBondContact O-CB 3.27Å; L255-T259 PolarHBondContact O-N 3.04Å; L255-T259 PolarHBondContact O-OG1 2.92Å; L256-T259 PolarHBondContact O-N 3.18Å; L257-T259 VanDerWaalsContact C-N 3.32Å; L257-T259 PolarHBondContact O-N 3.21Å
260F88.9Confident87Confident55 Ų5561.5 Ų61.524%0.24133%0.329CS..SBendtrans-107.237.9-176.7-61.7-73.3000112.5L196 L256 L257 E262 F263 F264L196-F260 HydrophobicContact CD2-CE2 4.35Å; L196-F260 HydrophobicContact CD2-CZ 4.42Å; L256-F260 HydrophobicContact CD1-CD2 3.71Å; L256-F260 HydrophobicContact CD1-CE2 3.61Å; L256-F260 HydrophobicContact CG-CD2 4.11Å; L256-F260 HydrophobicContact CG-CE2 4.5Å; L256-F260 WeakPolarHBondContact O-CD2 3.37Å; L256-F260 PolarHBondContact O-N 2.93Å; L257-F260 CarbonylContact O-C 3.59Å; F260-E262 VanDerWaalsContact C-N 3.3Å; F260-E262 PolarHBondContact O-N 3.09Å; F260-F263 HydrophobicContact CB-CB 4.23Å; F260-F263 WeakPolarHBondContact O-CB 3.06Å; F260-F263 PolarHBondContact O-N 3.46Å; F260-F263 VanDerWaalsContact O-N 3.14Å; F260-F264 HydrophobicContact CB-CD2 4.07Å; F260-F264 HydrophobicContact CB-CE2 3.95Å; F260-F264 VanDerWaalsContact O-CD2 3.23Å; F260-F264 WeakPolarHBondContact O-CD2 3.43Å; F260-F264 PolarHBondContact O-N 3.08Å
261Q85Confident86.3Confident33 Ų3361 Ų6115%0.15433%0.327CS..THydrogen-bonded Turntrans-55.5-42.4-178.1-75175.6-24.200112.9L257 N258 F263 F264 G265 L266 L275L257-Q261 WeakPolarHBondContact O-CA 3.36Å; L257-Q261 VanDerWaalsContact O-CG 3.31Å; L257-Q261 WeakPolarHBondContact O-CG 3.36Å; L257-Q261 PolarHBondContact O-N 3.46Å; N258-Q261 WeakPolarHBondContact O-CG 3.4Å; N258-Q261 PolarHBondContact OD1-NE2 2.97Å; N258-Q261 VanDerWaalsContact OD1-NE2 3.08Å; Q261-F263 VanDerWaalsContact C-N 3.35Å; Q261-F263 PolarHBondContact O-N 2.63Å; Q261-F264 CarbonylContact O-C 3.55Å; Q261-F264 PolarHBondContact O-N 2.91Å; Q261-G265 PolarHBondContact O-N 3.49Å; Q261-L266 HydrophobicContact CB-CB 4.36Å; Q261-L266 HydrophobicContact CG-CB 4.46Å; Q261-L266 PolarHBondContact O-N 3.28Å; Q261-L275 HydrophobicContact CG-CD1 3.75Å
262E81.8Confident85.6Confident164 Ų16461 Ų6177%0.76633%0.33SS*.THydrogen-bonded Turntrans-62.5-42.1178.9-67.5178.1-177.700111.9F260 F264 G265F260-E262 VanDerWaalsContact C-N 3.3Å; F260-E262 PolarHBondContact O-N 3.09Å; E262-F264 VanDerWaalsContact C-N 3.31Å; E262-F264 PolarHBondContact O-N 2.87Å; E262-G265 PolarHBondContact O-N 2.93Å
263F84.9Confident84.9Confident170 Ų17062.8 Ų62.875%0.74634%0.34SS*.THydrogen-bonded Turntrans-64.9-36179.1-175.5-95.8000112.3F260 Q261F260-F263 HydrophobicContact CB-CB 4.23Å; F260-F263 WeakPolarHBondContact O-CB 3.06Å; F260-F263 PolarHBondContact O-N 3.46Å; F260-F263 VanDerWaalsContact O-N 3.14Å; Q261-F263 VanDerWaalsContact C-N 3.35Å; Q261-F263 PolarHBondContact O-N 2.63Å
264F83.6Confident84.4Confident98 Ų9867.2 Ų67.243%0.4335%0.351SS..THydrogen-bonded Turntrans-89.62.4177.9-67.3-67.3000114L257 F260 Q261 E262 L266L257-F264 HydrophobicContact CD2-CD1 4.41Å; L257-F264 HydrophobicContact CD2-CD2 3.72Å; L257-F264 HydrophobicContact CD2-CE2 3.84Å; L257-F264 HydrophobicContact CD2-CG 4.03Å; L257-F264 HydrophobicContact CD2-CZ 4.24Å; F260-F264 HydrophobicContact CB-CD2 4.07Å; F260-F264 HydrophobicContact CB-CE2 3.95Å; F260-F264 VanDerWaalsContact O-CD2 3.23Å; F260-F264 WeakPolarHBondContact O-CD2 3.43Å; F260-F264 PolarHBondContact O-N 3.08Å; Q261-F264 CarbonylContact O-C 3.55Å; Q261-F264 PolarHBondContact O-N 2.91Å; E262-F264 VanDerWaalsContact C-N 3.31Å; E262-F264 PolarHBondContact O-N 2.87Å; F264-L266 VanDerWaalsContact C-N 3.32Å; F264-L266 HydrophobicContact CB-CD1 3.98Å; F264-L266 HydrophobicContact CB-CG 4.07Å; F264-L266 PolarHBondContact O-N 3.41Å
265G79.7Confident83.9Confident47 Ų4767.3 Ų67.349%0.48535%0.351SS..THydrogen-bonded Turntrans6728.7-178.400000114.3Q261 E262Q261-G265 PolarHBondContact O-N 3.49Å; E262-G265 PolarHBondContact O-N 2.93Å
266L80.4Confident83.4Confident47 Ų4768 Ų6825%0.24635%0.354CS..  trans-102.417.6-177-61.8174.6000113.3Q261 F264 N268 S271 L275Q261-L266 HydrophobicContact CB-CB 4.36Å; Q261-L266 HydrophobicContact CG-CB 4.46Å; Q261-L266 PolarHBondContact O-N 3.28Å; F264-L266 VanDerWaalsContact C-N 3.32Å; F264-L266 HydrophobicContact CB-CD1 3.98Å; F264-L266 HydrophobicContact CB-CG 4.07Å; F264-L266 PolarHBondContact O-N 3.41Å; L266-N268 PolarHBondContact O-N 3.49Å; L266-S271 WeakPolarHBondContact O-CB 3.07Å; L266-L275 HydrophobicContact CB-CD1 4Å; L266-L275 HydrophobicContact CD1-CD1 3.94Å; L266-L275 HydrophobicContact CD1-CD2 4.48Å
267N75.9Confident82.8Confident105 Ų10569.2 Ų69.256%0.56136%0.359SS*.  trans-75.52.5-176.163.9-22.9000115
268N82.1Confident82.6Confident95 Ų9568.5 Ų68.551%0.50836%0.36SS..SBendtrans-75.5143.2174.5-63-34.4000111.2L266 S270 S271 S272L266-N268 PolarHBondContact O-N 3.49Å; N268-S270 VanDerWaalsContact C-N 3.27Å; N268-S270 PolarHBondContact O-N 3.15Å; N268-S271 PolarHBondContact O-N 2.91Å; N268-S272 PolarHBondContact O-N 3.12Å
269C78.1Confident82.5Confident74 Ų7469.3 Ų69.350%0.536%0.364SS..Hα-helixtrans-57.5-35.9-179165.50000113C20 N273C20-C269 HydrophobicContact CB-CB 4.05Å; C20-C269 WeakPolarHBondContact CB-SG 3.43Å; C20-C269 WeakPolarHBondContact SG-CB 3.25Å; C20-C269 PolarHBondContact SG-O 2.9Å; C20-C269 CovalentContact SG-SG 2.06Å; C20-C269 PolarHBondContact SG-SG 2.78Å; C269-N273 VanDerWaalsContact O-CB 3.31Å; C269-N273 WeakPolarHBondContact O-CB 3.36Å; C269-N273 PolarHBondContact O-N 3.43Å
270S79.8Confident82.3Confident79 Ų7971.7 Ų71.755%0.55237%0.374SS*.Hα-helixtrans-64.9-42.317558.30000112.8N268 R274N268-S270 VanDerWaalsContact C-N 3.27Å; N268-S270 PolarHBondContact O-N 3.15Å; S270-R274 WeakPolarHBondContact O-CG 3.31Å; S270-R274 PolarHBondContact O-N 3.36Å
271S81.1Confident82.1Confident29 Ų2974 Ų7420%0.20339%0.392CS..Hα-helixtrans-69.6-43.4176.8-63.50000111.8L266 N268 N273 R274 L275L266-S271 WeakPolarHBondContact O-CB 3.07Å; N268-S271 PolarHBondContact O-N 2.91Å; S271-N273 VanDerWaalsContact C-N 3.35Å; S271-N273 PolarHBondContact O-N 2.82Å; S271-R274 PolarHBondContact O-N 2.97Å; S271-L275 WeakPolarHBondContact O-CG 3.09Å; S271-L275 PolarHBondContact O-N 3.01Å
272S79.4Confident82.4Confident24 Ų2473.2 Ų73.217%0.16839%0.39CS..Hα-helixtrans-59.6-44.8174.8-176.30000111.3N268 R274 L275 D276N268-S272 PolarHBondContact O-N 3.12Å; S272-R274 VanDerWaalsContact C-N 3.33Å; S272-R274 PolarHBondContact O-N 3.45Å; S272-L275 WeakPolarHBondContact O-CB 3.33Å; S272-L275 PolarHBondContact O-N 2.96Å; S272-L275 VanDerWaalsContact O-N 3.14Å; S272-D276 PolarHBondContact O-N 3.41Å
273N79.9Confident82.8Confident39 Ų3968 Ų6821%0.20937%0.365CS..Hα-helixtrans-63.3-39.1179.1-168.729.4000112C269 S271 D276 Q277C269-N273 VanDerWaalsContact O-CB 3.31Å; C269-N273 WeakPolarHBondContact O-CB 3.36Å; C269-N273 PolarHBondContact O-N 3.43Å; S271-N273 VanDerWaalsContact C-N 3.35Å; S271-N273 PolarHBondContact O-N 2.82Å; N273-D276 PolarHBondContact O-N 2.94Å; N273-Q277 WeakPolarHBondContact O-CG 3.23Å; N273-Q277 PolarHBondContact O-N 3.44Å; N273-Q277 VanDerWaalsContact O-N 3.09Å
274R83.7Confident82.9Confident184 Ų18460.7 Ų60.769%0.69434%0.335SS*.Hα-helixtrans-65.4-38.3173.2-71.6177.5-174.1-135.23112.3S270 S271 S272 Q277 A278S270-R274 WeakPolarHBondContact O-CG 3.31Å; S270-R274 PolarHBondContact O-N 3.36Å; S271-R274 PolarHBondContact O-N 2.97Å; S272-R274 VanDerWaalsContact C-N 3.33Å; S272-R274 PolarHBondContact O-N 3.45Å; R274-Q277 PolarHBondContact O-N 3.47Å; R274-A278 WeakPolarHBondContact O-CB 3.46Å; R274-A278 PolarHBondContact O-N 3.38Å
275L84.6Confident83.3Confident17 Ų1759.1 Ų59.19%0.08933%0.33CS..Hα-helixtrans-65.8-40.8175.8-78.5171.7000111.9L257 Q261 L266 S271 S272 A278 M279L257-L275 HydrophobicContact CB-CD2 3.99Å; L257-L275 HydrophobicContact CD1-CD2 4.49Å; Q261-L275 HydrophobicContact CG-CD1 3.75Å; L266-L275 HydrophobicContact CB-CD1 4Å; L266-L275 HydrophobicContact CD1-CD1 3.94Å; L266-L275 HydrophobicContact CD1-CD2 4.48Å; S271-L275 WeakPolarHBondContact O-CG 3.09Å; S271-L275 PolarHBondContact O-N 3.01Å; S272-L275 WeakPolarHBondContact O-CB 3.33Å; S272-L275 PolarHBondContact O-N 2.96Å; S272-L275 VanDerWaalsContact O-N 3.14Å; L275-A278 PolarHBondContact O-N 3.19Å; L275-M279 VanDerWaalsContact O-CB 3.32Å; L275-M279 WeakPolarHBondContact O-CB 3.19Å; L275-M279 PolarHBondContact O-N 3.08Å
276D80.4Confident83.8Confident30 Ų3056.9 Ų56.916%0.1631%0.307CS..Hα-helixtrans-63.8-41.8176.1-67.7-55.1000111.8K22 S272 N273 M279 Q280K22-D276 WeakPolarHBondContact CE-OD2 3.23Å; K22-D276 VanDerWaalsContact NZ-CG 3.29Å; K22-D276 IonicContact NZ-OD1 3.27Å; K22-D276 IonicContact NZ-OD2 3.9Å; K22-D276 PolarHBondContact NZ-OD2 2.83Å; S272-D276 PolarHBondContact O-N 3.41Å; N273-D276 PolarHBondContact O-N 2.94Å; D276-M279 PolarHBondContact O-N 3.27Å; D276-Q280 PolarHBondContact O-N 3.27Å
277Q81.3Confident84.2Confident80 Ų8055.6 Ų55.637%0.37430%0.301SS..Hα-helixtrans-59.7-49.8172.5-71.8173.46.200111.1V25 N273 R274 M279 Q280 V281V25-Q277 HydrophobicContact CB-CG 4.25Å; V25-Q277 HydrophobicContact CG1-CG 3.77Å; V25-Q277 HydrophobicContact CG2-CG 3.4Å; N273-Q277 WeakPolarHBondContact O-CG 3.23Å; N273-Q277 PolarHBondContact O-N 3.44Å; N273-Q277 VanDerWaalsContact O-N 3.09Å; R274-Q277 PolarHBondContact O-N 3.47Å; Q277-M279 VanDerWaalsContact C-N 3.26Å; Q277-M279 PolarHBondContact O-N 3.15Å; Q277-Q280 PolarHBondContact O-N 3.11Å; Q277-V281 WeakPolarHBondContact O-CG2 3.12Å; Q277-V281 PolarHBondContact O-N 2.87Å
278A87.3Confident84.9Confident34 Ų3451.6 Ų51.628%0.28128%0.28SS..Hα-helixtrans-59.8-39177.900000111.4V254 R274 L275 V281 T282V254-A278 HydrophobicContact CG1-CB 4.08Å; V254-A278 HydrophobicContact CG2-CB 4.2Å; R274-A278 WeakPolarHBondContact O-CB 3.46Å; R274-A278 PolarHBondContact O-N 3.38Å; L275-A278 PolarHBondContact O-N 3.19Å; A278-V281 PolarHBondContact O-N 3.47Å; A278-T282 VanDerWaalsContact O-CB 3.31Å; A278-T282 WeakPolarHBondContact O-CB 3.35Å; A278-T282 VanDerWaalsContact O-CG2 3.26Å; A278-T282 WeakPolarHBondContact O-CG2 3.3Å; A278-T282 PolarHBondContact O-N 2.9Å; A278-T282 PolarHBondContact O-OG1 3.19Å
279M86.3Confident85.5Confident43 Ų4347.5 Ų47.521%0.21226%0.258CS..Hα-helixtrans-63.6-46.5178.3-170.51686600110.5Y251 V254 N258 L275 D276 Q277 T282 E283Y251-M279 HydrophobicContact CE2-CG 4.27Å; V254-M279 HydrophobicContact CG1-CB 3.87Å; N258-M279 HydrophobicContact CB-SD 4.48Å; L275-M279 VanDerWaalsContact O-CB 3.32Å; L275-M279 WeakPolarHBondContact O-CB 3.19Å; L275-M279 PolarHBondContact O-N 3.08Å; D276-M279 PolarHBondContact O-N 3.27Å; Q277-M279 VanDerWaalsContact C-N 3.26Å; Q277-M279 PolarHBondContact O-N 3.15Å; M279-T282 PolarHBondContact O-N 3.01Å; M279-T282 PolarHBondContact O-OG1 3.26Å; M279-E283 WeakPolarHBondContact O-CB 3.44Å; M279-E283 PolarHBondContact O-N 3.11Å
280Q83.2Confident86.1Confident59 Ų5944.1 Ų44.128%0.27624%0.235SC..Hα-helixtrans-63.1-45.2177.6-171.6166.535.900112.3A29 L33 D276 Q277 T284A29-Q280 VanDerWaalsContact CB-NE2 3.33Å; L33-Q280 HydrophobicContact CD1-CG 4.48Å; D276-Q280 PolarHBondContact O-N 3.27Å; Q277-Q280 PolarHBondContact O-N 3.11Å; Q280-T284 WeakPolarHBondContact O-CB 3.21Å; Q280-T284 PolarHBondContact O-N 2.02Å; Q280-T284 PolarHBondContact O-OG1 3.33Å
281V86.8Confident86.6Confident102 Ų10241.1 Ų41.162%0.61821%0.213SC*.Hα-helixtrans-65-45.7178.5174.40000111.5Q277 A278 T284 L285Q277-V281 WeakPolarHBondContact O-CG2 3.12Å; Q277-V281 PolarHBondContact O-N 2.87Å; A278-V281 PolarHBondContact O-N 3.47Å; V281-T284 WeakPolarHBondContact O-CB 3.41Å; V281-T284 PolarHBondContact O-N 3.25Å; V281-L285 PolarHBondContact O-N 3.23Å
282T91.3Very high87.1Confident18 Ų1841.4 Ų41.411%0.1121%0.212CC..Hα-helixtrans-71.8-32.8-178.4550000112.6P250 V254 A278 M279 L285 G286P250-T282 HydrophobicContact CB-CG2 3.6Å; V254-T282 HydrophobicContact CG2-CG2 4.09Å; A278-T282 VanDerWaalsContact O-CB 3.31Å; A278-T282 WeakPolarHBondContact O-CB 3.35Å; A278-T282 VanDerWaalsContact O-CG2 3.26Å; A278-T282 WeakPolarHBondContact O-CG2 3.3Å; A278-T282 PolarHBondContact O-N 2.9Å; A278-T282 PolarHBondContact O-OG1 3.19Å; M279-T282 PolarHBondContact O-N 3.01Å; M279-T282 PolarHBondContact O-OG1 3.26Å; T282-L285 WeakPolarHBondContact O-CB 3.34Å; T282-L285 PolarHBondContact O-N 3.1Å; T282-G286 PolarHBondContact O-N 2.06Å
283E88.9Confident87.5Confident53 Ų5340.2 Ų40.225%0.24820%0.204CC..Hα-helixtrans-64.4-46.2170.8-177.4171.9-156.300111Y108 Y251 M279 L285 G286 M287Y108-E283 PolarHBondContact OH-OE1 3.18Å; Y251-E283 HydrophobicContact CD2-CB 3.67Å; Y251-E283 HydrophobicContact CD2-CG 4.35Å; Y251-E283 HydrophobicContact CE2-CB 3.7Å; Y251-E283 HydrophobicContact CE2-CG 4.03Å; M279-E283 WeakPolarHBondContact O-CB 3.44Å; M279-E283 PolarHBondContact O-N 3.11Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.08Å; E283-G286 CarbonylContact O-C 3.5Å; E283-G286 WeakPolarHBondContact O-CA 3.34Å; E283-G286 PolarHBondContact O-N 3.47Å; E283-G286 VanDerWaalsContact O-N 3.1Å; E283-M287 HydrophobicContact CG-CE 4Å; E283-M287 WeakPolarHBondContact O-CG 3.32Å; E283-M287 PolarHBondContact O-N 2.88Å
284T87.2Confident87.9Confident17 Ų1738.9 Ų38.910%0.10420%0.198CC..Hα-helixtrans-57.1-44.9175.2-57.40000110.8L33 L36 Y37 Q280 V281 M287 T288L33-T284 HydrophobicContact CD2-CG2 3.68Å; L33-T284 WeakPolarHBondContact CD2-OG1 3.36Å; L36-T284 HydrophobicContact CD2-CG2 3.48Å; L36-T284 VanDerWaalsContact CD2-CG2 3.48Å; Y37-T284 HydrophobicContact CE1-CG2 3.73Å; Y37-T284 PolarHBondContact OH-OG1 3.09Å; Q280-T284 WeakPolarHBondContact O-CB 3.21Å; Q280-T284 PolarHBondContact O-N 2.02Å; Q280-T284 PolarHBondContact O-OG1 3.33Å; V281-T284 WeakPolarHBondContact O-CB 3.41Å; V281-T284 PolarHBondContact O-N 3.25Å; T284-M287 PolarHBondContact O-N 3.01Å; T284-T288 WeakPolarHBondContact O-CG2 3.45Å; T284-T288 PolarHBondContact O-N 3.1Å; T284-T288 VanDerWaalsContact O-N 3.1Å
285L91.6Very high88.2Confident65 Ų6533.9 Ų33.934%0.3418%0.184SC..Hα-helixtrans-58.6-50.7173.7-179.965.7000110.5F247 P250 V281 T282 E283 M287 T288F247-L285 HydrophobicContact CD1-CD1 3.96Å; F247-L285 HydrophobicContact CD1-CG 4.29Å; F247-L285 VanDerWaalsContact CD1-O 3.31Å; F247-L285 WeakPolarHBondContact CD1-O 3.28Å; F247-L285 HydrophobicContact CE1-CD1 4.05Å; F247-L285 HydrophobicContact CG-CD1 4.49Å; P250-L285 HydrophobicContact CG-CD2 4.25Å; V281-L285 PolarHBondContact O-N 3.23Å; T282-L285 WeakPolarHBondContact O-CB 3.34Å; T282-L285 PolarHBondContact O-N 3.1Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.08Å; L285-M287 VanDerWaalsContact C-N 3.28Å; L285-M287 PolarHBondContact O-N 3.4Å; L285-T288 PolarHBondContact O-N 3.48Å; L285-T288 VanDerWaalsContact O-N 3.09Å; L285-T288 PolarHBondContact O-OG1 2.78Å
286G91.8Very high88.3Confident0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-54.3-43174.900000112.7W248 T282 E283 T288 H289W248-G286 VanDerWaalsContact CZ2-O 3.24Å; W248-G286 WeakPolarHBondContact CZ2-O 3.32Å; T282-G286 PolarHBondContact O-N 2.06Å; E283-G286 CarbonylContact O-C 3.5Å; E283-G286 WeakPolarHBondContact O-CA 3.34Å; E283-G286 PolarHBondContact O-N 3.47Å; E283-G286 VanDerWaalsContact O-N 3.1Å; G286-T288 VanDerWaalsContact C-N 3.31Å; G286-T288 PolarHBondContact O-N 3.36Å; G286-H289 WeakPolarHBondContact O-CB 3.37Å; G286-H289 PolarHBondContact O-N 3.36Å; G286-H289 VanDerWaalsContact O-N 3.08Å
287M87.9Confident88.5Confident21 Ų2132.9 Ų32.910%0.10318%0.177CC..Hα-helixtrans-61.5-37.9177.9-71.8-168.6-178.100112.7Y37 F79 Y108 E283 T284 L285 H289 C290Y37-M287 HydrophobicContact CE1-CB 4.25Å; Y37-M287 HydrophobicContact CE1-SD 3.84Å; Y37-M287 HydrophobicContact CE2-SD 3.89Å; Y37-M287 PolarHBondContact OH-SD 3.38Å; F79-M287 HydrophobicContact CE1-CB 4Å; F79-M287 HydrophobicContact CE1-CG 3.89Å; F79-M287 HydrophobicContact CZ-CB 4.3Å; F79-M287 HydrophobicContact CZ-CG 3.78Å; Y108-M287 HydrophobicContact CE2-CE 3.85Å; E283-M287 HydrophobicContact CG-CE 4Å; E283-M287 WeakPolarHBondContact O-CG 3.32Å; E283-M287 PolarHBondContact O-N 2.88Å; T284-M287 PolarHBondContact O-N 3.01Å; L285-M287 VanDerWaalsContact C-N 3.28Å; L285-M287 PolarHBondContact O-N 3.4Å; M287-H289 PolarHBondContact O-N 3.1Å; M287-C290 PolarHBondContact O-N 3.18Å; M287-C290 PolarHBondContact O-SG 2.82Å
288T91.2Very high88.5Confident21 Ų2130.1 Ų30.113%0.12917%0.169CC..Hα-helixtrans-64.5-19.117865.50000113.1V40 F247 T284 L285 G286 C290 C291V40-T288 HydrophobicContact CG2-CG2 3.68Å; F247-T288 WeakPolarHBondContact CD1-OG1 3.42Å; F247-T288 VanDerWaalsContact CE1-OG1 3.25Å; F247-T288 WeakPolarHBondContact CE1-OG1 3.47Å; T284-T288 WeakPolarHBondContact O-CG2 3.45Å; T284-T288 PolarHBondContact O-N 3.1Å; T284-T288 VanDerWaalsContact O-N 3.1Å; L285-T288 PolarHBondContact O-N 3.48Å; L285-T288 VanDerWaalsContact O-N 3.09Å; L285-T288 PolarHBondContact O-OG1 2.78Å; G286-T288 VanDerWaalsContact C-N 3.31Å; G286-T288 PolarHBondContact O-N 3.36Å; T288-C290 PolarHBondContact O-N 2.89Å; T288-C290 VanDerWaalsContact O-N 3.17Å; T288-C291 PolarHBondContact O-N 2.94Å; T288-C291 PolarHBondContact O-SG 3.48Å
289H93.1Very high88Confident9 Ų936.4 Ų36.44%0.04219%0.19CC..G310 helixtrans-54.7-36178.5176.5-97.1000113.3Y244 F247 W248 G286 M287 C291 I292Y244-H289 AromaticContact CD2-CE1 3.84Å; Y244-H289 AromaticContact CD2-NE2 3.91Å; F247-H289 HydrophobicContact CB-CB 3.91Å; F247-H289 HydrophobicContact CD1-CB 3.98Å; F247-H289 HydrophobicContact CG-CB 4.16Å; W248-H289 AromaticContact CD1-CG 3.86Å; W248-H289 AromaticContact NE1-CG 3.51Å; W248-H289 AromaticContact NE1-ND1 3.55Å; G286-H289 WeakPolarHBondContact O-CB 3.37Å; G286-H289 PolarHBondContact O-N 3.36Å; G286-H289 VanDerWaalsContact O-N 3.08Å; M287-H289 PolarHBondContact O-N 3.1Å; H289-C291 PolarHBondContact O-N 2.82Å; H289-C291 VanDerWaalsContact O-N 3.09Å; H289-I292 WeakPolarHBondContact O-CB 3.35Å; H289-I292 PolarHBondContact O-N 3Å
290C90.9Very high87.3Confident3 Ų335.6 Ų35.62%0.0219%0.187CC..G310 helixtrans-61.2-21.8-175.366.30000113.8N48 D76 F79 L80 M287 T288N48-C290 PolarHBondContact ND2-O 2.78Å; D76-C290 HydrophobicContact CB-CB 4.26Å; F79-C290 HydrophobicContact CD1-CB 3.99Å; L80-C290 WeakPolarHBondContact CD2-SG 3.12Å; L80-C290 HydrophobicContact CG-CB 4.28Å; M287-C290 PolarHBondContact O-N 3.18Å; M287-C290 PolarHBondContact O-SG 2.82Å; T288-C290 PolarHBondContact O-N 2.89Å; T288-C290 VanDerWaalsContact O-N 3.17Å
291C90.9Very high86.8Confident15 Ų1533.5 Ų33.510%0.10118%0.181CC..G310 helixtrans-94.8-7.4175.773.10000113.9F43 T288 H289F43-C291 HydrophobicContact CB-CB 4.49Å; T288-C291 PolarHBondContact O-N 2.94Å; T288-C291 PolarHBondContact O-SG 3.48Å; H289-C291 PolarHBondContact O-N 2.82Å; H289-C291 VanDerWaalsContact O-N 3.09Å
292I91.5Very high86.2Confident35 Ų3533 Ų3318%0.17917%0.173CC..Hα-helixtrans-81.8-30.5-176.6-52.4-59.8000112V243 F247 H289 I295 I296V243-I292 HydrophobicContact CG1-CB 4.42Å; V243-I292 HydrophobicContact CG1-CG2 3.7Å; F247-I292 HydrophobicContact CD1-CG1 4.48Å; F247-I292 HydrophobicContact CE1-CD1 4.17Å; F247-I292 HydrophobicContact CE1-CG1 3.76Å; F247-I292 HydrophobicContact CZ-CD1 4.06Å; F247-I292 HydrophobicContact CZ-CG1 3.8Å; H289-I292 WeakPolarHBondContact O-CB 3.35Å; H289-I292 PolarHBondContact O-N 3Å; I292-I295 HydrophobicContact CD1-CD1 4.24Å; I292-I295 WeakPolarHBondContact O-CA 3.45Å; I292-I295 VanDerWaalsContact O-CB 3.3Å; I292-I295 WeakPolarHBondContact O-CB 3.36Å; I292-I295 PolarHBondContact O-N 2.93Å; I292-I296 HydrophobicContact CG2-CD1 4.04Å; I292-I296 HydrophobicContact CG2-CG1 4.05Å; I292-I296 WeakPolarHBondContact O-CG1 3.34Å; I292-I296 PolarHBondContact O-N 3.09Å
293N88.3Confident85.5Confident0 Ų038.7 Ų38.70%020%0.196CC..Hα-helixtrans-54.6-51.2179.7-77.2-27.3000113.3D76 I295 I296 Y297D76-N293 PolarHBondContact OD2-ND2 3.29Å; N293-I295 VanDerWaalsContact C-N 3.27Å; N293-I295 PolarHBondContact O-N 3.34Å; N293-I296 PolarHBondContact O-N 3.22Å; N293-Y297 HydrophobicContact CB-CE2 4.11Å; N293-Y297 WeakPolarHBondContact O-CD2 3.45Å; N293-Y297 WeakPolarHBondContact O-CE2 3.32Å; N293-Y297 PolarHBondContact O-N 2.86Å
294P88.7Confident84.9Confident11 Ų1136.8 Ų36.87%0.07119%0.186CC..Hα-helixtrans-55.3-38.5172.7-26.734.7000114.2V51 Y297 A298V51-P294 HydrophobicContact CG2-CB 3.97Å; V51-P294 HydrophobicContact CG2-CG 4.18Å; P294-Y297 PolarHBondContact O-N 2.78Å; P294-A298 WeakPolarHBondContact O-CB 3.21Å; P294-A298 PolarHBondContact O-N 2.86Å
295I88.6Confident84.6Confident78 Ų7841.7 Ų41.740%0.420%0.203SC..Hα-helixtrans-64.4-47.7178.6-61.5176.3000109.8I292 N293 Y297 A298 F299I292-I295 HydrophobicContact CD1-CD1 4.24Å; I292-I295 WeakPolarHBondContact O-CA 3.45Å; I292-I295 VanDerWaalsContact O-CB 3.3Å; I292-I295 WeakPolarHBondContact O-CB 3.36Å; I292-I295 PolarHBondContact O-N 2.93Å; N293-I295 VanDerWaalsContact C-N 3.27Å; N293-I295 PolarHBondContact O-N 3.34Å; I295-Y297 VanDerWaalsContact C-N 3.28Å; I295-Y297 PolarHBondContact O-N 2.85Å; I295-A298 PolarHBondContact O-N 3.23Å; I295-A298 VanDerWaalsContact O-N 3.1Å; I295-F299 HydrophobicContact CG2-CD2 3.64Å; I295-F299 HydrophobicContact CG2-CE2 3.65Å; I295-F299 VanDerWaalsContact O-CD2 3.23Å; I295-F299 WeakPolarHBondContact O-CD2 3.37Å; I295-F299 PolarHBondContact O-N 3.32Å
296I87.3Confident84.1Confident11 Ų1142.8 Ų42.86%0.05621%0.209CC..Hα-helixtrans-56.6-45.5175.5-63.8168.8000110.3L236 T239 I240 V243 I292 N293 A298 F299 V300L236-I296 HydrophobicContact CD1-CG2 3.9Å; T239-I296 HydrophobicContact CG2-CG1 4.5Å; T239-I296 HydrophobicContact CG2-CG2 3.97Å; I240-I296 HydrophobicContact CG1-CD1 4.28Å; I240-I296 HydrophobicContact CG1-CG2 3.95Å; V243-I296 HydrophobicContact CB-CD1 3.95Å; V243-I296 HydrophobicContact CG1-CD1 4Å; V243-I296 HydrophobicContact CG2-CD1 3.98Å; I292-I296 HydrophobicContact CG2-CD1 4.04Å; I292-I296 HydrophobicContact CG2-CG1 4.05Å; I292-I296 WeakPolarHBondContact O-CG1 3.34Å; I292-I296 PolarHBondContact O-N 3.09Å; N293-I296 PolarHBondContact O-N 3.22Å; I296-A298 VanDerWaalsContact C-N 3.32Å; I296-A298 PolarHBondContact O-N 2.86Å; I296-F299 PolarHBondContact O-N 3.48Å; I296-V300 HydrophobicContact CG2-CB 4.46Å; I296-V300 HydrophobicContact CG2-CG2 4.06Å; I296-V300 VanDerWaalsContact O-CB 3.25Å; I296-V300 WeakPolarHBondContact O-CB 3.24Å; I296-V300 WeakPolarHBondContact O-CG2 3.49Å; I296-V300 PolarHBondContact O-N 2.98Å
297Y83.8Confident83.5Confident15 Ų1544.5 Ų44.56%0.05922%0.216CC..Hα-helixtrans-63-38.7178.4-60.1-46.4000112.4V51 L69 L72 L236 I240 N293 P294 I295 G301 F304V51-Y297 HydrophobicContact CG1-CD2 3.91Å; V51-Y297 HydrophobicContact CG1-CE2 3.99Å; V51-Y297 HydrophobicContact CG2-CD2 3.78Å; V51-Y297 HydrophobicContact CG2-CE2 4.46Å; L69-Y297 HydrophobicContact CD2-CE1 3.89Å; L69-Y297 WeakPolarHBondContact CD2-OH 3.34Å; L72-Y297 WeakPolarHBondContact CD1-OH 3.26Å; L236-Y297 HydrophobicContact CD1-CD1 4.1Å; L236-Y297 HydrophobicContact CD1-CE1 4.44Å; L236-Y297 HydrophobicContact CD2-CD1 4.5Å; I240-Y297 HydrophobicContact CD1-CE1 3.63Å; N293-Y297 HydrophobicContact CB-CE2 4.11Å; N293-Y297 WeakPolarHBondContact O-CD2 3.45Å; N293-Y297 WeakPolarHBondContact O-CE2 3.32Å; N293-Y297 PolarHBondContact O-N 2.86Å; P294-Y297 PolarHBondContact O-N 2.78Å; I295-Y297 VanDerWaalsContact C-N 3.28Å; I295-Y297 PolarHBondContact O-N 2.85Å; Y297-G301 VanDerWaalsContact O-CA 3.24Å; Y297-G301 WeakPolarHBondContact O-CA 3.4Å; Y297-G301 PolarHBondContact O-N 2.75Å; Y297-F304 VanDerWaalsContact C-CD1 3.46Å
298A82Confident83.1Confident23 Ų2344.7 Ų44.719%0.1922%0.217CC..Hα-helixtrans-65.9-40.4179.900000112.5P294 I295 I296 F304 L308P294-A298 WeakPolarHBondContact O-CB 3.21Å; P294-A298 PolarHBondContact O-N 2.86Å; I295-A298 PolarHBondContact O-N 3.23Å; I295-A298 VanDerWaalsContact O-N 3.1Å; I296-A298 VanDerWaalsContact C-N 3.32Å; I296-A298 PolarHBondContact O-N 2.86Å; A298-F304 HydrophobicContact CB-CD1 4.26Å; A298-F304 HydrophobicContact CB-CE1 4.13Å; A298-L308 HydrophobicContact CB-CD1 3.97Å
299F76.4Confident82.6Confident166 Ų16648.3 Ų48.373%0.72824%0.235SC*.Hα-helixtrans-85.7-38.9-178.1-73.5-71.7000113.3I295 I296I295-F299 HydrophobicContact CG2-CD2 3.64Å; I295-F299 HydrophobicContact CG2-CE2 3.65Å; I295-F299 VanDerWaalsContact O-CD2 3.23Å; I295-F299 WeakPolarHBondContact O-CD2 3.37Å; I295-F299 PolarHBondContact O-N 3.32Å; I296-F299 PolarHBondContact O-N 3.48Å
300V73Confident82.1Confident25 Ų2551.8 Ų51.815%0.15226%0.257CS..Hα-helixtrans-93.4-28.7-173.1-173.50000112R232 L236 T239 I296R232-V300 PolarHBondContact NH2-O 3.21Å; R232-V300 VanDerWaalsContact NH2-O 3.15Å; L236-V300 HydrophobicContact CB-CG1 4.04Å; L236-V300 HydrophobicContact CD1-CB 3.79Å; L236-V300 HydrophobicContact CD1-CG1 3.73Å; T239-V300 HydrophobicContact CG2-CG2 4.49Å; I296-V300 HydrophobicContact CG2-CB 4.46Å; I296-V300 HydrophobicContact CG2-CG2 4.06Å; I296-V300 VanDerWaalsContact O-CB 3.25Å; I296-V300 WeakPolarHBondContact O-CB 3.24Å; I296-V300 WeakPolarHBondContact O-CG2 3.49Å; I296-V300 PolarHBondContact O-N 2.98Å
301G71.8Confident81.6Confident15 Ų1553.9 Ų53.916%0.15527%0.266CS..  trans-98.797.3-176.100000114.3Y297 K303 F304 R305Y297-G301 VanDerWaalsContact O-CA 3.24Å; Y297-G301 WeakPolarHBondContact O-CA 3.4Å; Y297-G301 PolarHBondContact O-N 2.75Å; G301-K303 PolarHBondContact O-N 3.42Å; G301-K303 VanDerWaalsContact O-N 3.16Å; G301-F304 PolarHBondContact O-N 3.46Å; G301-F304 VanDerWaalsContact O-N 3.07Å; G301-R305 PolarHBondContact O-N 3.38Å
302E74.9Confident81.1Confident93 Ų9357.7 Ų57.744%0.43528%0.281SS..Hα-helixtrans-55.2-37.3176.4-91.2156.6-124.600113R232 F304 R305 N306R232-E302 IonicContact CZ-OE1 2.92Å; R232-E302 IonicContact CZ-OE2 2.7Å; R232-E302 IonicContact NH1-OE1 3.56Å; R232-E302 PolarHBondContact NH1-OE1 3.26Å; R232-E302 IonicContact NH1-OE2 2.72Å; R232-E302 PolarHBondContact NH1-OE2 2.97Å; R232-E302 IonicContact NH2-OE1 2.61Å; R232-E302 PolarHBondContact NH2-OE1 3.28Å; R232-E302 IonicContact NH2-OE2 3.12Å; E302-F304 VanDerWaalsContact C-N 3.34Å; E302-F304 PolarHBondContact O-N 2.92Å; E302-R305 PolarHBondContact O-N 3.37Å; E302-N306 WeakPolarHBondContact O-CB 3.09Å; E302-N306 VanDerWaalsContact O-CG 3.23Å; E302-N306 PolarHBondContact O-N 3.49Å; E302-N306 PolarHBondContact O-OD1 3.38Å
303K75.6Confident80.5Confident137 Ų13762 Ų6260%0.59630%0.3SS*.Hα-helixtrans-64.8-40180-67.2-171.1177.2-172.30112.1F54 G301 Y307F54-K303 HydrophobicContact CZ-CB 4.29Å; G301-K303 PolarHBondContact O-N 3.42Å; G301-K303 VanDerWaalsContact O-N 3.16Å; K303-Y307 PolarHBondContact O-N 3.45Å
304F76.1Confident79.9Confident12 Ų1268.7 Ų68.75%0.05333%0.33CS..Hα-helixtrans-74.1-41.7177.7179.4-116000110.7V51 F54 Y297 A298 G301 E302 N306 Y307 L308V51-F304 HydrophobicContact CG2-CE1 4.16Å; V51-F304 HydrophobicContact CG2-CE2 3.95Å; V51-F304 HydrophobicContact CG2-CZ 3.54Å; F54-F304 HydrophobicContact CB-CD2 3.95Å; F54-F304 HydrophobicContact CB-CE2 3.93Å; F54-F304 HydrophobicContact CD1-CB 4.37Å; F54-F304 AromaticContact CD1-CD2 3.43Å; F54-F304 HydrophobicContact CD1-CD2 3.43Å; F54-F304 VanDerWaalsContact CD1-CD2 3.43Å; F54-F304 HydrophobicContact CD1-CE2 4.17Å; F54-F304 HydrophobicContact CD1-CG 4.31Å; F54-F304 HydrophobicContact CD2-CD2 4.23Å; F54-F304 HydrophobicContact CE1-CB 3.93Å; F54-F304 AromaticContact CE1-CD2 3.88Å; F54-F304 HydrophobicContact CE1-CD2 3.88Å; F54-F304 HydrophobicContact CE1-CG 4.36Å; F54-F304 AromaticContact CG-CD2 3.6Å; F54-F304 HydrophobicContact CG-CD2 3.6Å; F54-F304 HydrophobicContact CG-CE2 4.12Å; F54-F304 HydrophobicContact CZ-CB 4.18Å; F54-F304 HydrophobicContact CZ-CD2 4.44Å; Y297-F304 VanDerWaalsContact C-CD1 3.46Å; A298-F304 HydrophobicContact CB-CD1 4.26Å; A298-F304 HydrophobicContact CB-CE1 4.13Å; G301-F304 PolarHBondContact O-N 3.46Å; G301-F304 VanDerWaalsContact O-N 3.07Å; E302-F304 VanDerWaalsContact C-N 3.34Å; E302-F304 PolarHBondContact O-N 2.92Å; F304-N306 VanDerWaalsContact C-N 3.35Å; F304-N306 PolarHBondContact O-N 3.32Å; F304-Y307 HydrophobicContact CD2-CD1 4.44Å; F304-Y307 HydrophobicContact CE2-CD1 4.46Å; F304-Y307 WeakPolarHBondContact O-CB 3.25Å; F304-Y307 PolarHBondContact O-N 2.74Å; F304-Y307 VanDerWaalsContact O-N 3.1Å; F304-L308 HydrophobicContact CD1-CD1 3.9Å; F304-L308 HydrophobicContact CD1-CG 4.26Å; F304-L308 HydrophobicContact CD2-CG 4.48Å; F304-L308 HydrophobicContact CE1-CD1 3.46Å; F304-L308 VanDerWaalsContact CE1-CD1 3.46Å; F304-L308 HydrophobicContact CE1-CD2 4.3Å; F304-L308 HydrophobicContact CE1-CG 3.91Å; F304-L308 HydrophobicContact CE2-CD2 4.11Å; F304-L308 HydrophobicContact CE2-CG 4.14Å; F304-L308 HydrophobicContact CZ-CD1 3.85Å; F304-L308 HydrophobicContact CZ-CD2 3.79Å; F304-L308 HydrophobicContact CZ-CG 3.85Å; F304-L308 PolarHBondContact O-N 3.3Å
305R81.9Confident79.2Confident120 Ų12072.7 Ų72.745%0.45335%0.347SS..Hα-helixtrans-55.6-46.9174.1-169178.669.6-175.73.3112.7G301 E302 Y307 L308 L309G301-R305 PolarHBondContact O-N 3.38Å; E302-R305 PolarHBondContact O-N 3.37Å; R305-Y307 VanDerWaalsContact C-N 3.31Å; R305-Y307 PolarHBondContact O-N 3.02Å; R305-L308 PolarHBondContact O-N 3.47Å; R305-L309 WeakPolarHBondContact O-CG 3.37Å; R305-L309 PolarHBondContact O-N 3.46Å
306N80.9Confident78.2Confident88 Ų8872 Ų7247%0.47134%0.344SS..Hα-helixtrans-64.4-37.4177.6-70.1-2.2000111.7E302 F304 L309 V310E302-N306 WeakPolarHBondContact O-CB 3.09Å; E302-N306 VanDerWaalsContact O-CG 3.23Å; E302-N306 PolarHBondContact O-N 3.49Å; E302-N306 PolarHBondContact O-OD1 3.38Å; F304-N306 VanDerWaalsContact C-N 3.35Å; F304-N306 PolarHBondContact O-N 3.32Å; N306-L309 PolarHBondContact O-N 3.46Å; N306-V310 WeakPolarHBondContact O-CG2 3.37Å; N306-V310 PolarHBondContact O-N 3.48Å; N306-V310 VanDerWaalsContact O-N 3.08Å
307Y78.8Confident77Confident36 Ų3673.7 Ų73.714%0.14136%0.359CS..Hα-helixtrans-64.3-45.5173.3172.2-103.3000112.3F54 C58 K303 F304 R305 L309 V310 F311F54-Y307 HydrophobicContact CB-CD1 3.63Å; F54-Y307 HydrophobicContact CB-CE1 3.55Å; F54-Y307 HydrophobicContact CB-CG 4.36Å; F54-Y307 VanDerWaalsContact CD2-CB 3.43Å; F54-Y307 AromaticContact CD2-CD1 3.39Å; F54-Y307 HydrophobicContact CD2-CD1 3.39Å; F54-Y307 AromaticContact CD2-CD2 3.82Å; F54-Y307 HydrophobicContact CD2-CD2 3.82Å; F54-Y307 HydrophobicContact CD2-CE1 4.02Å; F54-Y307 HydrophobicContact CD2-CE2 4.4Å; F54-Y307 AromaticContact CD2-CG 3.24Å; F54-Y307 HydrophobicContact CD2-CG 3.24Å; F54-Y307 VanDerWaalsContact CE2-CB 3.46Å; F54-Y307 HydrophobicContact CE2-CD1 4.31Å; F54-Y307 HydrophobicContact CE2-CD2 4.41Å; F54-Y307 AromaticContact CE2-CG 3.83Å; F54-Y307 HydrophobicContact CE2-CG 3.83Å; F54-Y307 AromaticContact CG-CD1 3.82Å; F54-Y307 HydrophobicContact CG-CD1 3.82Å; F54-Y307 HydrophobicContact CG-CE1 4.22Å; F54-Y307 HydrophobicContact CG-CG 4.14Å; C58-Y307 HydrophobicContact CB-CD2 4.28Å; C58-Y307 HydrophobicContact CB-CE2 4.48Å; C58-Y307 WeakPolarHBondContact SG-CD2 3.16Å; C58-Y307 WeakPolarHBondContact SG-CE2 3.21Å; K303-Y307 PolarHBondContact O-N 3.45Å; F304-Y307 HydrophobicContact CD2-CD1 4.44Å; F304-Y307 HydrophobicContact CE2-CD1 4.46Å; F304-Y307 WeakPolarHBondContact O-CB 3.25Å; F304-Y307 PolarHBondContact O-N 2.74Å; F304-Y307 VanDerWaalsContact O-N 3.1Å; R305-Y307 VanDerWaalsContact C-N 3.31Å; R305-Y307 PolarHBondContact O-N 3.02Å; Y307-L309 VanDerWaalsContact C-N 3.3Å; Y307-L309 PolarHBondContact O-N 3.48Å; Y307-V310 PolarHBondContact O-N 3.38Å; Y307-F311 HydrophobicContact CE1-CB 4.35Å; Y307-F311 VanDerWaalsContact O-CB 3.28Å; Y307-F311 WeakPolarHBondContact O-CB 3.49Å; Y307-F311 PolarHBondContact O-N 3.03Å
308L80.3Confident75.7Confident26 Ų2680 Ų8014%0.13639%0.387CS..Hα-helixtrans-55.4-48.9175.2-74.2178.9000110L50 A298 F304 R305 V310 F311 F312L50-L308 HydrophobicContact CD1-CD2 4.21Å; A298-L308 HydrophobicContact CB-CD1 3.97Å; F304-L308 HydrophobicContact CD1-CD1 3.9Å; F304-L308 HydrophobicContact CD1-CG 4.26Å; F304-L308 HydrophobicContact CD2-CG 4.48Å; F304-L308 HydrophobicContact CE1-CD1 3.46Å; F304-L308 VanDerWaalsContact CE1-CD1 3.46Å; F304-L308 HydrophobicContact CE1-CD2 4.3Å; F304-L308 HydrophobicContact CE1-CG 3.91Å; F304-L308 HydrophobicContact CE2-CD2 4.11Å; F304-L308 HydrophobicContact CE2-CG 4.14Å; F304-L308 HydrophobicContact CZ-CD1 3.85Å; F304-L308 HydrophobicContact CZ-CD2 3.79Å; F304-L308 HydrophobicContact CZ-CG 3.85Å; F304-L308 PolarHBondContact O-N 3.3Å; R305-L308 PolarHBondContact O-N 3.47Å; L308-V310 PolarHBondContact O-N 3.36Å; L308-F311 PolarHBondContact O-N 2.94Å; L308-F311 VanDerWaalsContact O-N 3.15Å; L308-F312 HydrophobicContact CB-CD2 4.17Å; L308-F312 HydrophobicContact CB-CE2 4.21Å; L308-F312 HydrophobicContact CD2-CE2 4.25Å; L308-F312 WeakPolarHBondContact O-CB 3.17Å; L308-F312 WeakPolarHBondContact O-CD2 3.36Å; L308-F312 PolarHBondContact O-N 3.15Å
309L80.9Confident74.3Confident96 Ų9688.4 Ų88.450%0.50341%0.413SS..Hα-helixtrans-55.8-47.1177.8-70.6171.4000112.5R305 N306 Y307 F312 Q313R305-L309 WeakPolarHBondContact O-CG 3.37Å; R305-L309 PolarHBondContact O-N 3.46Å; N306-L309 PolarHBondContact O-N 3.46Å; Y307-L309 VanDerWaalsContact C-N 3.3Å; Y307-L309 PolarHBondContact O-N 3.48Å; L309-F312 PolarHBondContact O-N 3.44Å; L309-Q313 WeakPolarHBondContact O-CB 3.34Å; L309-Q313 VanDerWaalsContact O-CG 3.23Å; L309-Q313 WeakPolarHBondContact O-CG 3.3Å; L309-Q313 PolarHBondContact O-N 2.83Å
310V81.5Confident73.1Confident83 Ų8387.7 Ų87.750%0.50341%0.41SS..Hα-helixtrans-66-40.1177.6173.20000111.7N306 Y307 L308 Q313 K314N306-V310 WeakPolarHBondContact O-CG2 3.37Å; N306-V310 PolarHBondContact O-N 3.48Å; N306-V310 VanDerWaalsContact O-N 3.08Å; Y307-V310 PolarHBondContact O-N 3.38Å; L308-V310 PolarHBondContact O-N 3.36Å; V310-Q313 PolarHBondContact O-N 3.5Å; V310-K314 VanDerWaalsContact O-CB 3.29Å; V310-K314 WeakPolarHBondContact O-CB 3.41Å; V310-K314 PolarHBondContact O-N 3.35Å
311F80.3Confident71.9Confident46 Ų4689.8 Ų89.820%0.20243%0.425CS..Hα-helixtrans-64.2-47.5177.7-178.2-92000111.2L50 Y307 L308 Q313 K314 H315L50-F311 HydrophobicContact CD2-CD1 4.01Å; L50-F311 HydrophobicContact CD2-CE1 3.58Å; L50-F311 HydrophobicContact CD2-CZ 3.86Å; Y307-F311 HydrophobicContact CE1-CB 4.35Å; Y307-F311 VanDerWaalsContact O-CB 3.28Å; Y307-F311 WeakPolarHBondContact O-CB 3.49Å; Y307-F311 PolarHBondContact O-N 3.03Å; L308-F311 PolarHBondContact O-N 2.94Å; L308-F311 VanDerWaalsContact O-N 3.15Å; F311-Q313 PolarHBondContact O-N 3.05Å; F311-K314 PolarHBondContact O-N 3.41Å; F311-H315 AromaticContact CD2-CD2 3.7Å; F311-H315 AromaticContact CE2-CD2 3.7Å; F311-H315 HydrophobicContact CZ-CB 4.48Å; F311-H315 WeakPolarHBondContact O-CB 3.39Å; F311-H315 PolarHBondContact O-N 3.27Å
312F81.1Confident70.6Confident95 Ų9598 Ų9842%0.41746%0.456SS..Iπ-helixtrans-58.7-46.4174.1-83.2-73.3000110.7L308 L309 K314 I316 A317L308-F312 HydrophobicContact CB-CD2 4.17Å; L308-F312 HydrophobicContact CB-CE2 4.21Å; L308-F312 HydrophobicContact CD2-CE2 4.25Å; L308-F312 WeakPolarHBondContact O-CB 3.17Å; L308-F312 WeakPolarHBondContact O-CD2 3.36Å; L308-F312 PolarHBondContact O-N 3.15Å; L309-F312 PolarHBondContact O-N 3.44Å; F312-K314 PolarHBondContact O-N 3.02Å; F312-I316 HydrophobicContact CD1-CB 4.12Å; F312-I316 HydrophobicContact CD1-CD1 3.23Å; F312-I316 HydrophobicContact CD1-CG1 4.2Å; F312-I316 HydrophobicContact CD1-CG2 4.31Å; F312-I316 HydrophobicContact CE1-CD1 3.34Å; F312-I316 HydrophobicContact CG-CD1 4.25Å; F312-I316 HydrophobicContact CZ-CD1 4.42Å; F312-I316 CarbonylContact O-C 3.53Å; F312-I316 WeakPolarHBondContact O-CA 3.49Å; F312-I316 WeakPolarHBondContact O-CB 3.29Å; F312-I316 PolarHBondContact O-N 3.48Å; F312-A317 PolarHBondContact O-N 3.43Å
313Q78.3Confident69.2Low125 Ų12599 Ų9958%0.58447%0.473SS*.Iπ-helixtrans-60.9-46.1177.3-75.5171.5-6.700112.6L309 V310 F311 K318L309-Q313 WeakPolarHBondContact O-CB 3.34Å; L309-Q313 VanDerWaalsContact O-CG 3.23Å; L309-Q313 WeakPolarHBondContact O-CG 3.3Å; L309-Q313 PolarHBondContact O-N 2.83Å; V310-Q313 PolarHBondContact O-N 3.5Å; F311-Q313 PolarHBondContact O-N 3.05Å; Q313-K318 PolarHBondContact O-N 2.74Å
314K75.6Confident67.4Low142 Ų14296.1 Ų96.162%0.61747%0.469SS*.Iπ-helixtrans-74.7-39.2-174-171.1178.1179-176.70113.5V310 F311 F312 K318V310-K314 VanDerWaalsContact O-CB 3.29Å; V310-K314 WeakPolarHBondContact O-CB 3.41Å; V310-K314 PolarHBondContact O-N 3.35Å; F311-K314 PolarHBondContact O-N 3.41Å; F312-K314 PolarHBondContact O-N 3.02Å; K314-K318 WeakPolarHBondContact O-CB 3.42Å
315H74.3Confident65.4Low94 Ų94101.1 Ų101.144%0.43551%0.506SS..Iπ-helixtrans-107.6-30.3-170.4-69.9-79000114.2F311 R319F311-H315 AromaticContact CD2-CD2 3.7Å; F311-H315 AromaticContact CE2-CD2 3.7Å; F311-H315 HydrophobicContact CZ-CB 4.48Å; F311-H315 WeakPolarHBondContact O-CB 3.39Å; F311-H315 PolarHBondContact O-N 3.27Å; H315-R319 WeakPolarHBondContact O-CB 3.12Å
316I68.4Low63.6Low65 Ų65102.4 Ų102.433%0.33352%0.52SS..Iπ-helixtrans-103.7-56-175.2-66.5168.3000109.5F312 K318 R319 F320F312-I316 HydrophobicContact CD1-CB 4.12Å; F312-I316 HydrophobicContact CD1-CD1 3.23Å; F312-I316 HydrophobicContact CD1-CG1 4.2Å; F312-I316 HydrophobicContact CD1-CG2 4.31Å; F312-I316 HydrophobicContact CE1-CD1 3.34Å; F312-I316 HydrophobicContact CG-CD1 4.25Å; F312-I316 HydrophobicContact CZ-CD1 4.42Å; F312-I316 CarbonylContact O-C 3.53Å; F312-I316 WeakPolarHBondContact O-CA 3.49Å; F312-I316 WeakPolarHBondContact O-CB 3.29Å; F312-I316 PolarHBondContact O-N 3.48Å; I316-K318 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 3.31Å; I316-R319 PolarHBondContact O-N 3.34Å; I316-F320 HydrophobicContact CG2-CD2 3.71Å; I316-F320 HydrophobicContact CG2-CE2 3.93Å; I316-F320 WeakPolarHBondContact O-CD2 3.05Å; I316-F320 PolarHBondContact O-N 3.44Å
317A61.9Low61.4Low45 Ų45106.3 Ų106.337%0.37253%0.533SS..Iπ-helixtrans-62.3-37178.800000112.2F312 R319 F320 C321F312-A317 PolarHBondContact O-N 3.43Å; A317-R319 VanDerWaalsContact C-N 3.35Å; A317-R319 PolarHBondContact O-N 3.32Å; A317-F320 PolarHBondContact O-N 2.92Å; A317-C321 WeakPolarHBondContact O-CA 3.26Å; A317-C321 WeakPolarHBondContact O-CB 3.45Å; A317-C321 PolarHBondContact O-N 2.99Å; A317-C321 PolarHBondContact O-SG 3.06Å
318K55.2Low59.6Low149 Ų149113.8 Ų113.865%0.64857%0.569SS**Hα-helixtrans-70.4-26.1174.8-155.2174.1-175.1176.40113.9Q313 K314 I316 K322Q313-K318 PolarHBondContact O-N 2.74Å; K314-K318 WeakPolarHBondContact O-CB 3.42Å; I316-K318 VanDerWaalsContact C-N 3.32Å; I316-K318 PolarHBondContact O-N 3.31Å; K318-K322 PolarHBondContact O-N 2.78Å
319R53.4Low57.5Low199 Ų199120.8 Ų120.875%0.75160%0.601SS**Hα-helixtrans-80-41.1172.8-96.3-178170.1178.7-3.1111.7H315 I316 A317 K322 C323H315-R319 WeakPolarHBondContact O-CB 3.12Å; I316-R319 PolarHBondContact O-N 3.34Å; A317-R319 VanDerWaalsContact C-N 3.35Å; A317-R319 PolarHBondContact O-N 3.32Å; R319-K322 WeakPolarHBondContact O-CB 3.44Å; R319-K322 PolarHBondContact O-N 3.4Å; R319-C323 PolarHBondContact O-N 3.5Å
320F51.8Low55.4Low151 Ų151124.8 Ų124.866%0.66262%0.617SS**Hα-helixtrans-72.4-35.1175.3-83.9-84.1000112.5I316 A317 K322 C323 C324I316-F320 HydrophobicContact CG2-CD2 3.71Å; I316-F320 HydrophobicContact CG2-CE2 3.93Å; I316-F320 WeakPolarHBondContact O-CD2 3.05Å; I316-F320 PolarHBondContact O-N 3.44Å; A317-F320 PolarHBondContact O-N 2.92Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 3.25Å; F320-C323 CarbonylContact O-C 3.47Å; F320-C323 WeakPolarHBondContact O-CA 3.35Å; F320-C323 PolarHBondContact O-N 2.99Å; F320-C324 PolarHBondContact O-N 3.29Å; F320-C324 VanDerWaalsContact O-N 3.07Å
321C46.9Very low53.1Low69 Ų69124.9 Ų124.947%0.46663%0.627SS.*THydrogen-bonded Turntrans-69.4-19.8169.4-80.60000113.2A317 C323 C324A317-C321 WeakPolarHBondContact O-CA 3.26Å; A317-C321 WeakPolarHBondContact O-CB 3.45Å; A317-C321 PolarHBondContact O-N 2.99Å; A317-C321 PolarHBondContact O-SG 3.06Å; C321-C323 VanDerWaalsContact C-N 3.25Å; C321-C324 PolarHBondContact O-N 3.41Å; C321-C324 VanDerWaalsContact O-O 3.05Å
322K44.3Very low51Low186 Ų186128.9 Ų128.981%0.80966%0.657SS**THydrogen-bonded Turntrans-72.6-20.2166.6-93.9-171.6173.6-168.10112.6K318 R319 F320K318-K322 PolarHBondContact O-N 2.78Å; R319-K322 WeakPolarHBondContact O-CB 3.44Å; R319-K322 PolarHBondContact O-N 3.4Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 3.25Å
323C45Very low48.9Very low115 Ų115133.2 Ų133.278%0.77768%0.679SS**SBendtrans-97.4-4.4173.1-72.90000113.6R319 F320 C321R319-C323 PolarHBondContact O-N 3.5Å; F320-C323 CarbonylContact O-C 3.47Å; F320-C323 WeakPolarHBondContact O-CA 3.35Å; F320-C323 PolarHBondContact O-N 2.99Å; C321-C323 VanDerWaalsContact C-N 3.25Å
324C38.2Very low47.1Very low77 Ų77138.9 Ų138.952%0.5270%0.695SS.*  trans-122.999.1173.8-71.90000110F320 C321 I326F320-C324 PolarHBondContact O-N 3.29Å; F320-C324 VanDerWaalsContact O-N 3.07Å; C321-C324 PolarHBondContact O-N 3.41Å; C321-C324 VanDerWaalsContact O-O 3.05Å; C324-I326 PolarHBondContact O-N 3.49Å
325S34Very low45.2Very low117 Ų117136.7 Ų136.782%0.81870%0.704SS**THydrogen-bonded Turntrans-71.636.4174.561.50000113.7
326I43.7Very low43.6Very low147 Ų147137.4 Ų137.475%0.75472%0.719SS**THydrogen-bonded Turntrans-120.9-11.3-176.6-67.6-176.5000112.7C324C324-I326 PolarHBondContact O-N 3.49Å
327F36.2Very low42.1Very low170 Ų170139.7 Ų139.775%0.74674%0.741SS**  trans-119.137178-109.7-84.9000113.9Q329F327-Q329 PolarHBondContact O-N 3.07Å
328Q39.4Very low41Very low192 Ų192143.4 Ų143.490%0.89776%0.758SS**  trans-90.266.1161.8-159.4169.4-11.900108
329Q36.8Very low40Very low174 Ų174146.9 Ų146.981%0.81377%0.769SS**  trans-104.3129.2164.2-154.1161.56.800108.2F327F327-Q329 PolarHBondContact O-N 3.07Å
330E36.8Very low39Very low179 Ų179143 Ų14384%0.83677%0.768SS**PPolyproline II helixtrans-50.1138.5-161.1-68.8154.7152.800114.4
331A34.3Very low38.1Very low86 Ų86147.3 Ų147.371%0.71178%0.779SS**PPolyproline II helixtrans-64.2134.9159.100000108.2E333A331-E333 PolarHBondContact O-N 2.94Å; A331-E333 VanDerWaalsContact O-N 3.12Å
332P36.1Very low37.4Very low129 Ų129149 Ų14984%0.83879%0.792SS**PPolyproline II helixtrans-67.3117.2173.4-6.620.8000108.3R334P332-R334 PolarHBondContact O-N 2.87Å
333E35.7Very low37.2Very low187 Ų187146.7 Ų146.787%0.87479%0.793SS**PPolyproline II helixtrans-57.3133.4169.1-70.7-174.6152.200109.6A331 A335A331-E333 PolarHBondContact O-N 2.94Å; A331-E333 VanDerWaalsContact O-N 3.12Å; E333-A335 PolarHBondContact O-N 2.88Å
334R40.5Very low36.5Very low244 Ų244144.9 Ų144.992%0.92179%0.794SS**  trans-6299.9166.4-82.9176.3171.8167.7-3.8108.2P332 S336P332-R334 PolarHBondContact O-N 2.87Å; R334-S336 PolarHBondContact O-N 3.15Å; R334-S336 VanDerWaalsContact O-N 3.08Å
335A35.6Very low36.4Very low96 Ų96150.2 Ų150.279%0.79381%0.812SS**  trans-72.497.3161.700000108.6E333 S337E333-A335 PolarHBondContact O-N 2.88Å; A335-S337 PolarHBondContact O-N 2.8Å
336S40.4Very low36.4Very low108 Ų108154.1 Ų154.176%0.75582%0.817SS**  trans-65101.615747.40000108.7R334 V338R334-S336 PolarHBondContact O-N 3.15Å; R334-S336 VanDerWaalsContact O-N 3.08Å; S336-V338 PolarHBondContact O-N 3.17Å
337S38Very low36.1Very low113 Ų113155.6 Ų155.679%0.7982%0.821SS**  trans-86.3105.5164.853.10000109.4A335 Y339A335-S337 PolarHBondContact O-N 2.8Å; S337-Y339 PolarHBondContact O-N 3.27Å
338V38.2Very low36Very low123 Ų123155 Ų15575%0.74582%0.824SS**  trans-61.6120164172.20000107.8S336 T340S336-V338 PolarHBondContact O-N 3.17Å; V338-T340 PolarHBondContact O-N 3.35Å
339Y34.3Very low35.8Very low223 Ų223151 Ų15188%0.87582%0.817SS**  trans-89.2102.1169.1-143.6-86.2000108.4S337S337-Y339 PolarHBondContact O-N 3.27Å
340T33.5Very low35.7Very low117 Ų117149.6 Ų149.672%0.71882%0.82SS**  trans-75.5118.1172.3-43.20000108.7V338V338-T340 PolarHBondContact O-N 3.35Å
341R32.2Very low35.7Very low242 Ų242144.1 Ų144.191%0.91381%0.811SS**  trans-98.199.1169-166.2175.8-174.3167.70.8108.3
342S33.2Very low35.7Very low103 Ų103152.3 Ų152.372%0.7284%0.842SS**  trans-85.8137.1168.5-177.80000110
343T38.4Very low35.7Very low138 Ų138153.5 Ų153.585%0.84784%0.842SS**  trans-58.3148.8170.637.20000113.5
344G31.9Very low35.7Very low77 Ų77151.7 Ų151.779%0.79484%0.84SS**  trans-178.696.116900000109.5
345E36Very low35.4Very low190 Ų190146.6 Ų146.689%0.88884%0.836SS**  trans-62.9148.7177.3-67.7161.5134.900112.6
346Q34.3Very low35.4Very low199 Ų199149.6 Ų149.693%0.9384%0.838SS**  trans-159.8129.2133.9-111.8170.9-400110.9
347E36.1Very low35.1Very low177 Ų177152.2 Ų152.283%0.82784%0.843SS**  trans-63.6160.3178.3-61.3172.7133.800113.3
348I34.8Very low34.9Very low159 Ų159154.8 Ų154.882%0.81585%0.847SS**  167.8104.9119.3-79.4155.7000109.9
349S34.5Very low34.6Very low107 Ų107157.1 Ų157.175%0.74885%0.854SS**  49.2147.5123.1-135.30000124.5
350V35.5Very low34.7Very low145 Ų145152 Ų15288%0.87985%0.853SS**  trans80.1129.1161-156.10000116.2
351G35.9Very low34.8Very low63 Ų63154.9 Ų154.965%0.64986%0.864SS**  cis169.7158.92.400000109.6
352L34.4Very low35Very low259 Ų259147 Ų147100%1.35686%0.859SS**  trans69.30177.1-85.3113.3000118.9

Retrieved 352 of 352 residues in 612.5 ms (Link to these results)