A0A077YYZ5_TRITR Loading...

Exocyst complex component Sec8

Component of the exocyst complex involved in the docking of exocytic vesicles with fusion sites on the plasma membrane.

AlphaFold DB , UniProt , Accession A0A077YYZ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1M45.6Very low52.6Low241 Ų241160.1 Ų160.1100%1.18782%0.816SS**  099.60-72.6-125.8-81.900107.2E3M1-E3 PolarHBondContact O-N 3.31Å
2G55.8Low51.9Low80 Ų80167.1 Ų167.183%0.82583%0.825SS**  trans-75110.8-178.500000109.6N4G2-N4 PolarHBondContact O-N 3.39Å; G2-N4 VanDerWaalsContact O-N 3.12Å
3E51.5Low51Low146 Ų146170.5 Ų170.568%0.68283%0.833SS**  trans-67.9104.3177.7-156.5173-13600108.2M1 R5M1-E3 PolarHBondContact O-N 3.31Å; E3-R5 HydrophobicContact CG-CG 4.44Å; E3-R5 PolarHBondContact O-N 3.13Å; E3-R5 IonicContact OE2-CZ 3.4Å; E3-R5 IonicContact OE2-NE 3.05Å; E3-R5 PolarHBondContact OE2-NE 2.94Å; E3-R5 IonicContact OE2-NH2 2.83Å; E3-R5 PolarHBondContact OE2-NH2 3.49Å
4N59.9Low50.3Low164 Ų164163.2 Ų163.288%0.87782%0.824SS**  trans-70.475.5179.7-121-32.9000109G2G2-N4 PolarHBondContact O-N 3.39Å; G2-N4 VanDerWaalsContact O-N 3.12Å
5R52.9Low49.8Very low187 Ų187157.4 Ų157.471%0.70682%0.821SS**  trans-72.9126174.2-68.7-174.9-176.2-153.8-1.1107.9E3 E7E3-R5 HydrophobicContact CG-CG 4.44Å; E3-R5 PolarHBondContact O-N 3.13Å; E3-R5 IonicContact OE2-CZ 3.4Å; E3-R5 IonicContact OE2-NE 3.05Å; E3-R5 PolarHBondContact OE2-NE 2.94Å; E3-R5 IonicContact OE2-NH2 2.83Å; E3-R5 PolarHBondContact OE2-NH2 3.49Å; R5-E7 PolarHBondContact O-N 3.22Å
6P58Low49.6Very low129 Ų129159.3 Ų159.384%0.83883%0.825SS**  trans-60.8112177.123-30.9000108.9R8P6-R8 PolarHBondContact O-N 3.35Å
7E55.4Low49.4Very low187 Ų187163 Ų16387%0.87483%0.826SS**PPolyproline II helixtrans-61.3122.9173.5-100.3-175.2155.300108.7R5R5-E7 PolarHBondContact O-N 3.22Å
8R48.8Very low49.4Very low201 Ų201165.7 Ų165.776%0.75883%0.826SS**PPolyproline II helixtrans-60.4128174.9-178.8178.4-116.6175.6-3107.9P6P6-R8 PolarHBondContact O-N 3.35Å
9P49Very low49.6Very low105 Ų105162.3 Ų162.368%0.68281%0.807SS**PPolyproline II helixtrans-52.6139.6-179.7-25.732.1000111.2R11P9-R11 PolarHBondContact O-N 2.89Å; P9-R11 VanDerWaalsContact O-N 3.15Å
10P50Low49.6Very low125 Ų125157.9 Ų157.981%0.81279%0.791SS**PPolyproline II helixtrans-59122.4-177.122.9-31.2000109.1R12P10-R12 PolarHBondContact O-N 3.46Å
11R51.7Low49.7Very low196 Ų196157.6 Ų157.674%0.7479%0.791SS**  trans-59.1114.9171-63.6-171.6-135.8-161.96.1106.3P9 F13P9-R11 PolarHBondContact O-N 2.89Å; P9-R11 VanDerWaalsContact O-N 3.15Å; R11-F13 WeakPolarHBondContact O-CD2 3.4Å; R11-F13 PolarHBondContact O-N 3.17Å
12R44Very low50.4Low244 Ų244155 Ų15592%0.92177%0.768SS**  trans-47.4104.1170-93.5-175.9171.9-142.32108.3P10 G14P10-R12 PolarHBondContact O-N 3.46Å; R12-G14 PolarHBondContact O-N 3Å
13F40.5Very low50.9Low211 Ų211153.9 Ų153.993%0.92575%0.748SS**  trans-73104.9167.1-90.3-92.9000106.2R11R11-F13 WeakPolarHBondContact O-CD2 3.4Å; R11-F13 PolarHBondContact O-N 3.17Å
14G40.8Very low51.9Low69 Ų69149.4 Ų149.471%0.71174%0.736SS**SBendtrans135.3108.9171.900000113.5R12R12-G14 PolarHBondContact O-N 3Å
15G43Very low52.9Low76 Ų76143.5 Ų143.578%0.78471%0.714SS**SBendtrans119.1-60.114300000117.8
16Q47.2Very low54.1Low188 Ų188139.8 Ų139.888%0.87971%0.707SS**  trans-128.893.9-174.8-89.3113.4100111.5Y18Q16-Y18 PolarHBondContact O-N 3.06Å; Q16-Y18 VanDerWaalsContact O-N 3.11Å
17R46.4Very low55.2Low222 Ų222138.5 Ų138.584%0.83869%0.693SS**  trans-61.4110.7157-79.2-177.8170.4-176.7-2.2107.1Q19R17-Q19 HydrophobicContact CB-CG 4.23Å; R17-Q19 PolarHBondContact O-N 3.23Å
18Y48.6Very low56.7Low212 Ų212134.4 Ų134.483%0.83168%0.68SS**  trans-53.6110.7158.7-161.4-97.2000106.7Q16 P20Q16-Y18 PolarHBondContact O-N 3.06Å; Q16-Y18 VanDerWaalsContact O-N 3.11Å; Y18-P20 VanDerWaalsContact C-CD 3.44Å; Y18-P20 WeakPolarHBondContact O-CD 3.29Å
19Q52.8Low58.3Low100 Ų100129.8 Ų129.847%0.46767%0.667SS.*  trans-105.486-178-76.7-175.63.800109R17 L21 R22R17-Q19 HydrophobicContact CB-CG 4.23Å; R17-Q19 PolarHBondContact O-N 3.23Å; Q19-L21 PolarHBondContact O-N 3.18Å; Q19-L21 VanDerWaalsContact O-N 3.08Å; Q19-R22 HydrophobicContact CB-CB 4.33Å; Q19-R22 PolarHBondContact O-N 3.41Å; Q19-R22 VanDerWaalsContact O-N 3.08Å
20P50.6Low60.1Low75 Ų75126.1 Ų126.149%0.48764%0.643SS.*Hα-helixtrans-57.7-27.5-177.47.1-15.1000113.4Y18 S23 A24Y18-P20 VanDerWaalsContact C-CD 3.44Å; Y18-P20 WeakPolarHBondContact O-CD 3.29Å; P20-S23 PolarHBondContact O-OG 2.91Å; P20-A24 PolarHBondContact O-N 3.3Å
21L52.1Low61.8Low151 Ų151124.4 Ų124.479%0.79163%0.63SS**Hα-helixtrans-70-34.1179-84.480.5000113.2Q19 G25Q19-L21 PolarHBondContact O-N 3.18Å; Q19-L21 VanDerWaalsContact O-N 3.08Å; L21-G25 PolarHBondContact O-N 3.4Å; L21-G25 VanDerWaalsContact O-N 3.14Å
22R59Low63.4Low186 Ų186121.3 Ų121.370%0.70262%0.618SS**Hα-helixtrans-70.2-40.1178.8-84.6-161.5175-149.5-2.9111.6Q19 G25 L26Q19-R22 HydrophobicContact CB-CB 4.33Å; Q19-R22 PolarHBondContact O-N 3.41Å; Q19-R22 VanDerWaalsContact O-N 3.08Å; R22-G25 PolarHBondContact O-N 3.03Å; R22-L26 WeakPolarHBondContact O-CG 3.39Å; R22-L26 PolarHBondContact O-N 3.33Å; R22-L26 VanDerWaalsContact O-N 3.11Å
23S66.3Low65.3Low57 Ų57110.3 Ų110.340%0.39958%0.579SS.*Hα-helixtrans-65.9-39.8177.348.90000112.2P20 G25 L26 L27P20-S23 PolarHBondContact O-OG 2.91Å; S23-G25 VanDerWaalsContact C-N 3.35Å; S23-G25 PolarHBondContact O-N 3.12Å; S23-L26 PolarHBondContact O-N 3.41Å; S23-L27 PolarHBondContact O-N 2.99Å; S23-L27 VanDerWaalsContact O-N 3.13Å
24A73.9Confident67.4Low52 Ų52103.1 Ų103.143%0.4355%0.549SS..Hα-helixtrans-62.1-43.1174.900000111.5P20 L26 L27 V28P20-A24 PolarHBondContact O-N 3.3Å; A24-L26 PolarHBondContact O-N 3.06Å; A24-L27 PolarHBondContact O-N 3.13Å; A24-V28 WeakPolarHBondContact O-CG2 3.34Å; A24-V28 PolarHBondContact O-N 3.35Å
25G79.2Confident69.6Low40 Ų40104.7 Ų104.741%0.41255%0.545SS..Hα-helixtrans-59.9-42.3176.500000113.5L21 R22 S23 V28 E29L21-G25 PolarHBondContact O-N 3.4Å; L21-G25 VanDerWaalsContact O-N 3.14Å; R22-G25 PolarHBondContact O-N 3.03Å; S23-G25 VanDerWaalsContact C-N 3.35Å; S23-G25 PolarHBondContact O-N 3.12Å; G25-V28 PolarHBondContact O-N 2.97Å; G25-E29 PolarHBondContact O-N 3.12Å
26L78.8Confident71.7Confident109 Ų109105.4 Ų105.457%0.57153%0.534SS*.Hα-helixtrans-63.2-42.2176.2-70.7169.3000112.1R22 S23 A24 E29 V30R22-L26 WeakPolarHBondContact O-CG 3.39Å; R22-L26 PolarHBondContact O-N 3.33Å; R22-L26 VanDerWaalsContact O-N 3.11Å; S23-L26 PolarHBondContact O-N 3.41Å; A24-L26 PolarHBondContact O-N 3.06Å; L26-E29 PolarHBondContact O-N 2.93Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.44Å
27L81.6Confident73.5Confident102 Ų10296.9 Ų96.953%0.53450%0.496SS..Hα-helixtrans-64.5-41.4176.6-72.5169.4000111.7S23 A24 E29 V30 V31S23-L27 PolarHBondContact O-N 2.99Å; S23-L27 VanDerWaalsContact O-N 3.13Å; A24-L27 PolarHBondContact O-N 3.13Å; L27-E29 VanDerWaalsContact C-N 3.28Å; L27-E29 PolarHBondContact O-N 2.93Å; L27-V30 PolarHBondContact O-N 3.4Å; L27-V31 WeakPolarHBondContact O-CB 3.36Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.34Å; L27-V31 PolarHBondContact O-N 3.4Å
28V85.7Confident75.2Confident101 Ų10192.8 Ų92.861%0.61250%0.498SS*.Hα-helixtrans-59.9-42.1174.41720000110.6A24 G25 V31 R32A24-V28 WeakPolarHBondContact O-CG2 3.34Å; A24-V28 PolarHBondContact O-N 3.35Å; G25-V28 PolarHBondContact O-N 2.97Å; V28-V31 PolarHBondContact O-N 2.94Å; V28-R32 VanDerWaalsContact O-CB 3.24Å; V28-R32 WeakPolarHBondContact O-CB 3.44Å; V28-R32 PolarHBondContact O-N 3.29Å
29E83.3Confident77Confident104 Ų10485.2 Ų85.249%0.48648%0.476SS..Hα-helixtrans-65.8-40.6177.4-174.6170.3-160.100112.8G25 L26 L27 T33G25-E29 PolarHBondContact O-N 3.12Å; L26-E29 PolarHBondContact O-N 2.93Å; L27-E29 VanDerWaalsContact C-N 3.28Å; L27-E29 PolarHBondContact O-N 2.93Å; E29-T33 WeakPolarHBondContact O-CB 3.5Å; E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 2.98Å
30V85.8Confident78.6Confident29 Ų2986 Ų8618%0.17648%0.479CS..Hα-helixtrans-62.8-50.5174.3168.60000110.9L26 L27 R32 T33 L34 V46 L50L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.48Å; L26-V30 PolarHBondContact O-N 3.44Å; L27-V30 PolarHBondContact O-N 3.4Å; V30-R32 VanDerWaalsContact C-N 3.32Å; V30-R32 PolarHBondContact O-N 2.75Å; V30-T33 PolarHBondContact O-N 3.41Å; V30-T33 VanDerWaalsContact O-N 3.14Å; V30-L34 HydrophobicContact CG1-CD1 3.79Å; V30-L34 HydrophobicContact CG1-CG 4.41Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.2Å; V30-V46 HydrophobicContact CB-CG1 4.5Å; V30-V46 HydrophobicContact CG1-CG1 4.02Å; V30-V46 HydrophobicContact CG2-CG1 4.23Å; V30-L50 HydrophobicContact CG1-CD2 4.1Å
31V85.5Confident80.4Confident89 Ų8985.5 Ų85.554%0.53948%0.482SS..Hα-helixtrans-58.7-45.7177.81700000110.6L27 V28 T33 L34 T35L27-V31 WeakPolarHBondContact O-CB 3.36Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.34Å; L27-V31 PolarHBondContact O-N 3.4Å; V28-V31 PolarHBondContact O-N 2.94Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.95Å; V31-L34 PolarHBondContact O-N 3Å; V31-T35 VanDerWaalsContact O-CB 3.32Å; V31-T35 WeakPolarHBondContact O-CB 3.46Å; V31-T35 PolarHBondContact O-N 3.37Å; V31-T35 PolarHBondContact O-OG1 2.98Å
32R86.4Confident82Confident130 Ų13082.8 Ų82.849%0.49147%0.465SS..Hα-helixtrans-56.8-49.6175.2-175-172.665.276.30.9110.4V28 V30 L34 T35 T36V28-R32 VanDerWaalsContact O-CB 3.24Å; V28-R32 WeakPolarHBondContact O-CB 3.44Å; V28-R32 PolarHBondContact O-N 3.29Å; V30-R32 VanDerWaalsContact C-N 3.32Å; V30-R32 PolarHBondContact O-N 2.75Å; R32-L34 PolarHBondContact O-N 3.4Å; R32-T35 PolarHBondContact O-N 3.11Å; R32-T36 HydrophobicContact CG-CG2 4.4Å; R32-T36 WeakPolarHBondContact O-CB 3.4Å; R32-T36 PolarHBondContact O-N 3.44Å; R32-T36 PolarHBondContact O-OG1 3.42Å
33T84.5Confident83.3Confident14 Ų1476.4 Ų76.49%0.08644%0.443CS..Hα-helixtrans-64.6-41.6-176.9-55.70000112.1E29 V30 V31 T35 S37 Q42 V46E29-T33 WeakPolarHBondContact O-CB 3.5Å; E29-T33 PolarHBondContact O-N 3.49Å; E29-T33 PolarHBondContact O-OG1 2.98Å; V30-T33 PolarHBondContact O-N 3.41Å; V30-T33 VanDerWaalsContact O-N 3.14Å; V31-T33 VanDerWaalsContact C-N 3.34Å; V31-T33 PolarHBondContact O-N 2.95Å; T33-T35 VanDerWaalsContact C-N 3.32Å; T33-T35 PolarHBondContact O-N 2.98Å; T33-S37 WeakPolarHBondContact O-CB 3.32Å; T33-S37 PolarHBondContact O-N 3.48Å; T33-Q42 HydrophobicContact CG2-CG 4.27Å; T33-V46 HydrophobicContact CG2-CG2 3.96Å
34L83.6Confident84.4Confident59 Ų5978.8 Ų78.831%0.30945%0.447SS..Hα-helixtrans-67.4-31.9176.6-68.7172.3000112.8V30 V31 R32 K43V30-L34 HydrophobicContact CG1-CD1 3.79Å; V30-L34 HydrophobicContact CG1-CG 4.41Å; V30-L34 WeakPolarHBondContact O-CG 3.26Å; V30-L34 PolarHBondContact O-N 3.2Å; V31-L34 PolarHBondContact O-N 3Å; R32-L34 PolarHBondContact O-N 3.4Å; L34-K43 HydrophobicContact CD2-CB 3.93Å; L34-K43 HydrophobicContact CD2-CG 4.38Å; L34-K43 VanDerWaalsContact O-CD 3.32Å; L34-K43 WeakPolarHBondContact O-CD 3.37Å; L34-K43 WeakPolarHBondContact O-CE 3.43Å; L34-K43 PolarHBondContact O-NZ 3.48Å
35T87.2Confident85.1Confident103 Ų10381.6 Ų81.663%0.63246%0.455SS*.Hα-helixtrans-84.8-44.2-178.6-50.50000112V31 R32 T33V31-T35 VanDerWaalsContact O-CB 3.32Å; V31-T35 WeakPolarHBondContact O-CB 3.46Å; V31-T35 PolarHBondContact O-N 3.37Å; V31-T35 PolarHBondContact O-OG1 2.98Å; R32-T35 PolarHBondContact O-N 3.11Å; T33-T35 VanDerWaalsContact C-N 3.32Å; T33-T35 PolarHBondContact O-N 2.98Å
36T87.4Confident85.5Confident90 Ų9081 Ų8155%0.55244%0.443SS*.Hα-helixtrans-102.8-14.7-168.870.70000114.7R32 P38R32-T36 HydrophobicContact CG-CG2 4.4Å; R32-T36 WeakPolarHBondContact O-CB 3.4Å; R32-T36 PolarHBondContact O-N 3.44Å; R32-T36 PolarHBondContact O-OG1 3.42Å; T36-P38 WeakPolarHBondContact O-CD 3.47Å
37S84.1Confident85.9Confident10 Ų1081.2 Ų81.27%0.0744%0.439CS..  trans-68.2130.5179.1-176.80000110.2T33 S39 Q42 K43T33-S37 WeakPolarHBondContact O-CB 3.32Å; T33-S37 PolarHBondContact O-N 3.48Å; S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact OG-N 3.49Å; S37-Q42 PolarHBondContact OG-OE1 3.36Å; S37-K43 WeakPolarHBondContact O-CE 3.44Å; S37-K43 PolarHBondContact O-NZ 2.94Å
38P81.9Confident86.3Confident135 Ų13583 Ų8388%0.87745%0.445SS*.SBendtrans-77.4-17.6172.131.5-34.3000112.2T36T36-P38 WeakPolarHBondContact O-CD 3.47Å
39S88Confident86.5Confident54 Ų5484.3 Ų84.338%0.37844%0.442SS..  trans-88.9112.5-176.4178.90000110.8S37 A41 Q42 K43S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact OG-N 3.49Å; S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 3.21Å; S39-Q42 PolarHBondContact O-N 2.93Å; S39-Q42 PolarHBondContact OG-N 2.92Å; S39-K43 PolarHBondContact O-N 3.33Å
40Q86.5Confident86.7Confident115 Ų11582.8 Ų82.854%0.53744%0.437SS..Hα-helixtrans-58.8-41175.1-178.260.815.100111.8Q42 K43 E44Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.28Å; Q40-K43 WeakPolarHBondContact O-CB 3.47Å; Q40-K43 PolarHBondContact O-N 2.92Å; Q40-K43 VanDerWaalsContact O-N 3.1Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 PolarHBondContact NE2-OE1 3.22Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 2.97Å
41A87.4Confident87.1Confident65 Ų6586.7 Ų86.754%0.53745%0.453SS..Hα-helixtrans-60-37.5177.300000112.6S39 L45S39-A41 VanDerWaalsContact C-N 3.28Å; S39-A41 PolarHBondContact O-N 3.21Å; A41-L45 WeakPolarHBondContact O-CB 3.49Å; A41-L45 PolarHBondContact O-N 3.01Å
42Q85.6Confident87.4Confident94 Ų9489.9 Ų89.944%0.43946%0.46SS..Hα-helixtrans-68.2-39.5176-171.6-176.2-1.800111.6T33 S37 S39 Q40 L45 V46T33-Q42 HydrophobicContact CG2-CG 4.27Å; S37-Q42 PolarHBondContact OG-OE1 3.36Å; S39-Q42 PolarHBondContact O-N 2.93Å; S39-Q42 PolarHBondContact OG-N 2.92Å; Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.28Å; Q42-L45 PolarHBondContact O-N 3.39Å; Q42-V46 WeakPolarHBondContact O-CG2 2.79Å; Q42-V46 PolarHBondContact O-N 2.9Å
43K86.9Confident87.6Confident53 Ų5387.6 Ų87.623%0.2346%0.458CS..Hα-helixtrans-63.8-44176.4-63.6-171.8-172.8-165.70111.3L34 S37 S39 Q40 V46 K47L34-K43 HydrophobicContact CD2-CB 3.93Å; L34-K43 HydrophobicContact CD2-CG 4.38Å; L34-K43 VanDerWaalsContact O-CD 3.32Å; L34-K43 WeakPolarHBondContact O-CD 3.37Å; L34-K43 WeakPolarHBondContact O-CE 3.43Å; L34-K43 PolarHBondContact O-NZ 3.48Å; S37-K43 WeakPolarHBondContact O-CE 3.44Å; S37-K43 PolarHBondContact O-NZ 2.94Å; S39-K43 PolarHBondContact O-N 3.33Å; Q40-K43 WeakPolarHBondContact O-CB 3.47Å; Q40-K43 PolarHBondContact O-N 2.92Å; Q40-K43 VanDerWaalsContact O-N 3.1Å; K43-V46 PolarHBondContact O-N 3.31Å; K43-K47 WeakPolarHBondContact O-CB 3.48Å; K43-K47 PolarHBondContact O-N 3.16Å
44E88.5Confident87.9Confident106 Ų10694.8 Ų94.850%0.49548%0.484SS..Hα-helixtrans-62.4-45.4177.6-74.3172-170.800111.4Q40 V46 K47 E48Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 PolarHBondContact NE2-OE1 3.22Å; Q40-E44 WeakPolarHBondContact O-CG 3.47Å; Q40-E44 PolarHBondContact O-N 2.97Å; E44-V46 PolarHBondContact O-N 3.32Å; E44-K47 WeakPolarHBondContact O-CB 3.41Å; E44-K47 PolarHBondContact O-N 3.44Å; E44-E48 WeakPolarHBondContact O-CB 3.26Å; E44-E48 PolarHBondContact O-N 3.31Å
45L89.1Confident88.4Confident112 Ų11294.6 Ų94.659%0.58649%0.491SS*.Hα-helixtrans-61.5-42.5177-173.8150.8000112.5A41 Q42 K49A41-L45 WeakPolarHBondContact O-CB 3.49Å; A41-L45 PolarHBondContact O-N 3.01Å; Q42-L45 PolarHBondContact O-N 3.39Å; L45-K49 WeakPolarHBondContact O-CB 3.5Å; L45-K49 PolarHBondContact O-N 3.47Å
46V86.9Confident88.7Confident27 Ų2792 Ų9216%0.16448%0.481CS..Hα-helixtrans-66.6-39.3176.2171.60000111.1V30 T33 Q42 K43 E44 L50V30-V46 HydrophobicContact CB-CG1 4.5Å; V30-V46 HydrophobicContact CG1-CG1 4.02Å; V30-V46 HydrophobicContact CG2-CG1 4.23Å; T33-V46 HydrophobicContact CG2-CG2 3.96Å; Q42-V46 WeakPolarHBondContact O-CG2 2.79Å; Q42-V46 PolarHBondContact O-N 2.9Å; K43-V46 PolarHBondContact O-N 3.31Å; E44-V46 PolarHBondContact O-N 3.32Å; V46-L50 WeakPolarHBondContact O-CB 3.49Å; V46-L50 PolarHBondContact O-N 3.3Å
47K87.9Confident89Confident114 Ų11491.9 Ų91.950%0.49648%0.48SS..Hα-helixtrans-63.4-49.3176.1-178.9-177.4169.4-173.70111.3K43 E44 K49 L50 E51K43-K47 WeakPolarHBondContact O-CB 3.48Å; K43-K47 PolarHBondContact O-N 3.16Å; E44-K47 WeakPolarHBondContact O-CB 3.41Å; E44-K47 PolarHBondContact O-N 3.44Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3Å; K47-L50 PolarHBondContact O-N 3.42Å; K47-E51 WeakPolarHBondContact CE-OE1 3.4Å; K47-E51 HydrophobicContact CG-CG 4.48Å; K47-E51 IonicContact NZ-OE1 3.84Å; K47-E51 WeakPolarHBondContact O-CB 3.48Å; K47-E51 WeakPolarHBondContact O-CG 3.49Å; K47-E51 PolarHBondContact O-N 3.05Å
48E90.6Very high89.5Confident138 Ų13896.9 Ų96.965%0.64550%0.5SS*.Hα-helixtrans-60.6-44.1178.5-173.4-173.4173.600111.1E44 L50 E51 K52E44-E48 WeakPolarHBondContact O-CB 3.26Å; E44-E48 PolarHBondContact O-N 3.31Å; E48-L50 PolarHBondContact O-N 2.94Å; E48-E51 PolarHBondContact O-N 2.86Å; E48-K52 WeakPolarHBondContact O-CB 3.46Å; E48-K52 PolarHBondContact O-N 2.86Å
49K89.5Confident90.1Very high130 Ų13097.3 Ų97.357%0.56549%0.491SS*.Hα-helixtrans-60.4-45.6174.9-175.6179.4177.8-175.80111.7L45 K47 K52 D53L45-K49 WeakPolarHBondContact O-CB 3.5Å; L45-K49 PolarHBondContact O-N 3.47Å; K47-K49 VanDerWaalsContact C-N 3.34Å; K47-K49 PolarHBondContact O-N 3Å; K49-K52 PolarHBondContact O-N 3.38Å; K49-D53 WeakPolarHBondContact O-CB 3.45Å; K49-D53 VanDerWaalsContact O-CG 3.27Å; K49-D53 PolarHBondContact O-N 3.42Å
50L88.4Confident90.4Very high72 Ų7299.4 Ų99.438%0.37750%0.501SS..Hα-helixtrans-63.4-43.2178.5-176.770.1000111.7V30 V46 K47 E48 K52 D53 Y54V30-L50 HydrophobicContact CG1-CD2 4.1Å; V46-L50 WeakPolarHBondContact O-CB 3.49Å; V46-L50 PolarHBondContact O-N 3.3Å; K47-L50 PolarHBondContact O-N 3.42Å; E48-L50 PolarHBondContact O-N 2.94Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-D53 PolarHBondContact O-N 2.84Å; L50-Y54 WeakPolarHBondContact O-CB 3.5Å; L50-Y54 PolarHBondContact O-N 3.29Å
51E92.3Very high90.7Very high110 Ų11097.6 Ų97.651%0.51450%0.497SS..Hα-helixtrans-62.8-41.7177.2-75.1176174.100111.2K47 E48 Y54 A55K47-E51 WeakPolarHBondContact CE-OE1 3.4Å; K47-E51 HydrophobicContact CG-CG 4.48Å; K47-E51 IonicContact NZ-OE1 3.84Å; K47-E51 WeakPolarHBondContact O-CB 3.48Å; K47-E51 WeakPolarHBondContact O-CG 3.49Å; K47-E51 PolarHBondContact O-N 3.05Å; E48-E51 PolarHBondContact O-N 2.86Å; E51-Y54 PolarHBondContact O-N 3.39Å; E51-A55 WeakPolarHBondContact O-CB 3.29Å; E51-A55 PolarHBondContact O-N 2.98Å
52K93.2Very high91.1Very high156 Ų15698.2 Ų98.268%0.67849%0.492SS*.Hα-helixtrans-63.7-48174.8-175.3178.7-180175.60112.3E48 K49 L50 Y54 A55 A56E48-K52 WeakPolarHBondContact O-CB 3.46Å; E48-K52 PolarHBondContact O-N 2.86Å; K49-K52 PolarHBondContact O-N 3.38Å; L50-K52 VanDerWaalsContact C-N 3.34Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.89Å; K52-A55 PolarHBondContact O-N 3.2Å; K52-A56 WeakPolarHBondContact O-CB 3.25Å; K52-A56 PolarHBondContact O-N 3.49Å
53D90Very high91.4Very high83 Ų8399.7 Ų99.744%0.44450%0.498SS..Hα-helixtrans-64.7-37.4178.9-70.9-13.1000111K49 L50 T57K49-D53 WeakPolarHBondContact O-CB 3.45Å; K49-D53 VanDerWaalsContact O-CG 3.27Å; K49-D53 PolarHBondContact O-N 3.42Å; L50-D53 PolarHBondContact O-N 2.84Å; D53-T57 WeakPolarHBondContact O-CB 3.46Å; D53-T57 PolarHBondContact O-N 2.93Å; D53-T57 PolarHBondContact O-OG1 3.45Å
54Y90.5Very high91.8Very high164 Ų164102.2 Ų102.264%0.64351%0.514SS*.Hα-helixtrans-66.1-45.8175-178.3-97000111.8L50 E51 K52 A56 T57 K58L50-Y54 WeakPolarHBondContact O-CB 3.5Å; L50-Y54 PolarHBondContact O-N 3.29Å; E51-Y54 PolarHBondContact O-N 3.39Å; K52-Y54 VanDerWaalsContact C-N 3.3Å; K52-Y54 PolarHBondContact O-N 2.89Å; Y54-A56 PolarHBondContact O-N 2.96Å; Y54-T57 PolarHBondContact O-N 3.39Å; Y54-K58 WeakPolarHBondContact O-CB 3.28Å; Y54-K58 PolarHBondContact O-N 3.39Å
55A94.5Very high92Very high55 Ų55101.2 Ų101.246%0.45552%0.515SS..Hα-helixtrans-60.5-44.9176.700000111.7E51 K52 T57 K58 E59E51-A55 WeakPolarHBondContact O-CB 3.29Å; E51-A55 PolarHBondContact O-N 2.98Å; K52-A55 PolarHBondContact O-N 3.2Å; A55-T57 PolarHBondContact O-N 3.41Å; A55-K58 PolarHBondContact O-N 3.08Å; A55-E59 PolarHBondContact O-N 2.92Å
56A94Very high92.2Very high50 Ų50100.9 Ų100.941%0.41351%0.514SS..Hα-helixtrans-62.7-42175.800000112.2K52 Y54 E59 V60K52-A56 WeakPolarHBondContact O-CB 3.25Å; K52-A56 PolarHBondContact O-N 3.49Å; Y54-A56 PolarHBondContact O-N 2.96Å; A56-E59 PolarHBondContact O-N 3.49Å; A56-V60 WeakPolarHBondContact O-CG2 3.29Å; A56-V60 PolarHBondContact O-N 3.41Å; A56-V60 VanDerWaalsContact O-N 3.13Å
57T92.5Very high92.4Very high87 Ų87102.3 Ų102.353%0.53452%0.522SS..Hα-helixtrans-65.3-41.8177.2-56.80000111.3D53 Y54 A55 V60 V61D53-T57 WeakPolarHBondContact O-CB 3.46Å; D53-T57 PolarHBondContact O-N 2.93Å; D53-T57 PolarHBondContact O-OG1 3.45Å; Y54-T57 PolarHBondContact O-N 3.39Å; A55-T57 PolarHBondContact O-N 3.41Å; T57-V60 PolarHBondContact O-N 3.48Å; T57-V61 HydrophobicContact CG2-CG2 4.42Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.36Å
58K94.7Very high92.6Very high115 Ų115102.7 Ų102.750%0.553%0.526SS..Hα-helixtrans-59-48.2176.3-179.4-177.9175.4-172.60110.9Y54 A55 V60 V61 D62Y54-K58 WeakPolarHBondContact O-CB 3.28Å; Y54-K58 PolarHBondContact O-N 3.39Å; A55-K58 PolarHBondContact O-N 3.08Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 PolarHBondContact O-N 2.91Å; K58-V61 PolarHBondContact O-N 3.19Å; K58-V61 VanDerWaalsContact O-N 3.15Å; K58-D62 WeakPolarHBondContact CE-OD2 3.34Å; K58-D62 WeakPolarHBondContact CG-OD2 3.44Å; K58-D62 WeakPolarHBondContact O-CB 3.49Å; K58-D62 VanDerWaalsContact O-CG 3.28Å; K58-D62 PolarHBondContact O-N 2.96Å
59E95.3Very high92.7Very high144 Ų144102.4 Ų102.467%0.67352%0.524SS*.Hα-helixtrans-58.5-43178.4-172.4-178.6179.400112.1A55 A56 D62 H63A55-E59 PolarHBondContact O-N 2.92Å; A56-E59 PolarHBondContact O-N 3.49Å; E59-D62 PolarHBondContact O-N 2.92Å; E59-H63 VanDerWaalsContact O-CB 3.29Å; E59-H63 WeakPolarHBondContact O-CB 3.43Å; E59-H63 PolarHBondContact O-N 3.04Å
60V94Very high92.9Very high98 Ų98102.2 Ų102.259%0.59453%0.525SS*.Hα-helixtrans-64.8-41.1176.2173.60000111.8A56 T57 K58 L64A56-V60 WeakPolarHBondContact O-CG2 3.29Å; A56-V60 PolarHBondContact O-N 3.41Å; A56-V60 VanDerWaalsContact O-N 3.13Å; T57-V60 PolarHBondContact O-N 3.48Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 PolarHBondContact O-N 2.91Å; V60-L64 VanDerWaalsContact O-CB 3.3Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 PolarHBondContact O-N 3.31Å
61V93.6Very high93.2Very high76 Ų76103.9 Ų103.946%0.46154%0.535SS..Hα-helixtrans-66.6-47.7178169.70000110.6T57 K58 H63 L64 V65T57-V61 HydrophobicContact CG2-CG2 4.42Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.36Å; K58-V61 PolarHBondContact O-N 3.19Å; K58-V61 VanDerWaalsContact O-N 3.15Å; V61-H63 VanDerWaalsContact C-N 3.32Å; V61-H63 PolarHBondContact O-N 3.41Å; V61-L64 PolarHBondContact O-N 3.46Å; V61-V65 HydrophobicContact CG1-CG2 4.29Å; V61-V65 WeakPolarHBondContact O-CB 3.39Å; V61-V65 VanDerWaalsContact O-CG2 3.27Å; V61-V65 WeakPolarHBondContact O-CG2 3.35Å; V61-V65 PolarHBondContact O-N 3.34Å
62D95Very high93.3Very high78 Ų78102.2 Ų102.242%0.41753%0.532SS..Hα-helixtrans-59.1-46.8178.7-69.9-15.8000109.7K58 E59 L64 V65 D66K58-D62 WeakPolarHBondContact CE-OD2 3.34Å; K58-D62 WeakPolarHBondContact CG-OD2 3.44Å; K58-D62 WeakPolarHBondContact O-CB 3.49Å; K58-D62 VanDerWaalsContact O-CG 3.28Å; K58-D62 PolarHBondContact O-N 2.96Å; E59-D62 PolarHBondContact O-N 2.92Å; D62-L64 PolarHBondContact O-N 3.43Å; D62-V65 PolarHBondContact O-N 2.8Å; D62-D66 PolarHBondContact O-N 2.99Å
63H93Very high93.4Very high125 Ų12597 Ų9758%0.57952%0.517SS*.Hα-helixtrans-60.4-43.6175.3-177.360.4000113E59 V61 V65 D66 V67E59-H63 VanDerWaalsContact O-CB 3.29Å; E59-H63 WeakPolarHBondContact O-CB 3.43Å; E59-H63 PolarHBondContact O-N 3.04Å; V61-H63 VanDerWaalsContact C-N 3.32Å; V61-H63 PolarHBondContact O-N 3.41Å; H63-V65 VanDerWaalsContact C-N 3.33Å; H63-V65 PolarHBondContact O-N 3.17Å; H63-D66 PolarHBondContact O-N 2.88Å; H63-V67 VanDerWaalsContact CE1-CG2 3.49Å; H63-V67 WeakPolarHBondContact CE1-CG2 3.37Å; H63-V67 WeakPolarHBondContact O-CB 3.28Å; H63-V67 VanDerWaalsContact O-CG2 3.32Å; H63-V67 WeakPolarHBondContact O-CG2 3.47Å; H63-V67 PolarHBondContact O-N 3.41Å
64L94Very high93.7Very high107 Ų10796.5 Ų96.556%0.5652%0.517SS*.Hα-helixtrans-66.1-37.2178.7-175.963.8000111.7V60 V61 D62 Q68V60-L64 VanDerWaalsContact O-CB 3.3Å; V60-L64 WeakPolarHBondContact O-CB 3.44Å; V60-L64 PolarHBondContact O-N 3.31Å; V61-L64 PolarHBondContact O-N 3.46Å; D62-L64 PolarHBondContact O-N 3.43Å; L64-Q68 WeakPolarHBondContact O-CB 3.27Å; L64-Q68 PolarHBondContact O-N 2.89Å
65V93.2Very high94Very high84 Ų8491.5 Ų91.551%0.50951%0.51SS..Hα-helixtrans-64.8-45.9175.6168.90000110.3V61 D62 H63 Q68 H69V61-V65 HydrophobicContact CG1-CG2 4.29Å; V61-V65 WeakPolarHBondContact O-CB 3.39Å; V61-V65 VanDerWaalsContact O-CG2 3.27Å; V61-V65 WeakPolarHBondContact O-CG2 3.35Å; V61-V65 PolarHBondContact O-N 3.34Å; D62-V65 PolarHBondContact O-N 2.8Å; H63-V65 VanDerWaalsContact C-N 3.33Å; H63-V65 PolarHBondContact O-N 3.17Å; V65-Q68 PolarHBondContact O-N 3Å; V65-H69 VanDerWaalsContact O-CB 3.24Å; V65-H69 WeakPolarHBondContact O-CB 3.28Å; V65-H69 PolarHBondContact O-N 3.48Å
66D93Very high94.1Very high106 Ų10692.8 Ų92.857%0.56751%0.509SS*.Hα-helixtrans-63.4-49.7179.6-71.6-17.3000111.6D62 H63 Q68 H69 E70D62-D66 PolarHBondContact O-N 2.99Å; H63-D66 PolarHBondContact O-N 2.88Å; D66-Q68 PolarHBondContact O-N 3.4Å; D66-H69 WeakPolarHBondContact O-CB 3.23Å; D66-H69 PolarHBondContact O-N 3.35Å; D66-E70 PolarHBondContact O-N 2.8Å
67V91Very high94.3Very high57 Ų5797 Ų9735%0.34552%0.52SS..Hα-helixtrans-62.5-45.6178.4172.40000111.1H63 H69 E70 D71H63-V67 VanDerWaalsContact CE1-CG2 3.49Å; H63-V67 WeakPolarHBondContact CE1-CG2 3.37Å; H63-V67 WeakPolarHBondContact O-CB 3.28Å; H63-V67 VanDerWaalsContact O-CG2 3.32Å; H63-V67 WeakPolarHBondContact O-CG2 3.47Å; H63-V67 PolarHBondContact O-N 3.41Å; V67-H69 VanDerWaalsContact C-N 3.25Å; V67-H69 PolarHBondContact O-N 3.17Å; V67-E70 PolarHBondContact O-N 2.93Å; V67-D71 WeakPolarHBondContact O-CB 3.39Å; V67-D71 PolarHBondContact O-N 2.94Å
68Q93.1Very high94.6Very high122 Ų12296 Ų9657%0.5752%0.517SS*.Hα-helixtrans-64.3-34.5178.8-170.6-179.6-75.600111.5L64 V65 D66 V72L64-Q68 WeakPolarHBondContact O-CB 3.27Å; L64-Q68 PolarHBondContact O-N 2.89Å; V65-Q68 PolarHBondContact O-N 3Å; D66-Q68 PolarHBondContact O-N 3.4Å; Q68-V72 HydrophobicContact CG-CG2 4.33Å; Q68-V72 VanDerWaalsContact O-CB 3.31Å; Q68-V72 WeakPolarHBondContact O-CB 3.48Å; Q68-V72 WeakPolarHBondContact O-CG2 3.45Å; Q68-V72 PolarHBondContact O-N 3.31Å
69H92.9Very high94.8Very high131 Ų13197.2 Ų97.261%0.60652%0.522SS*.Hα-helixtrans-65.2-46.9175.8-175.8-85.1000111.5V65 D66 V67 V72 A73V65-H69 VanDerWaalsContact O-CB 3.24Å; V65-H69 WeakPolarHBondContact O-CB 3.28Å; V65-H69 PolarHBondContact O-N 3.48Å; D66-H69 WeakPolarHBondContact O-CB 3.23Å; D66-H69 PolarHBondContact O-N 3.35Å; V67-H69 VanDerWaalsContact C-N 3.25Å; V67-H69 PolarHBondContact O-N 3.17Å; H69-V72 PolarHBondContact O-N 3.16Å; H69-A73 VanDerWaalsContact O-CB 3.29Å; H69-A73 WeakPolarHBondContact O-CB 3.25Å; H69-A73 PolarHBondContact O-N 3.47Å
70E93.2Very high94.9Very high126 Ų12698.5 Ų98.559%0.58952%0.521SS*.Hα-helixtrans-59.1-46.9175.2-75.6-74.4142.500112.2D66 V67 A73 T74D66-E70 PolarHBondContact O-N 2.8Å; V67-E70 PolarHBondContact O-N 2.93Å; E70-A73 PolarHBondContact O-N 2.96Å; E70-T74 WeakPolarHBondContact O-CB 3.39Å; E70-T74 PolarHBondContact O-N 3.5Å; E70-T74 PolarHBondContact O-OG1 3.31Å
71D94.2Very high95.1Very high108 Ų108102.4 Ų102.458%0.57853%0.525SS*.Hα-helixtrans-62.9-45179.2-78-18.7000111.7V67 T74 A75V67-D71 WeakPolarHBondContact O-CB 3.39Å; V67-D71 PolarHBondContact O-N 2.94Å; D71-T74 PolarHBondContact O-N 3.19Å; D71-A75 VanDerWaalsContact O-CB 3.29Å; D71-A75 WeakPolarHBondContact O-CB 3.41Å; D71-A75 PolarHBondContact O-N 3Å
72V94.9Very high95.4Very high75 Ų75102.8 Ų102.846%0.45553%0.527SS..Hα-helixtrans-65.7-41.6177.9169.90000110.9Q68 H69 A75 L76Q68-V72 HydrophobicContact CG-CG2 4.33Å; Q68-V72 VanDerWaalsContact O-CB 3.31Å; Q68-V72 WeakPolarHBondContact O-CB 3.48Å; Q68-V72 WeakPolarHBondContact O-CG2 3.45Å; Q68-V72 PolarHBondContact O-N 3.31Å; H69-V72 PolarHBondContact O-N 3.16Å; V72-A75 PolarHBondContact O-N 2.88Å; V72-L76 HydrophobicContact CG1-CD1 3.9Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 WeakPolarHBondContact O-CB 3.29Å; V72-L76 VanDerWaalsContact O-CG 3.3Å; V72-L76 WeakPolarHBondContact O-CG 3.33Å; V72-L76 PolarHBondContact O-N 3.34Å
73A95.3Very high95.5Very high45 Ų45101.4 Ų101.437%0.37252%0.523SS..Hα-helixtrans-60.9-46176.600000111.3H69 E70 L76 Q77H69-A73 VanDerWaalsContact O-CB 3.29Å; H69-A73 WeakPolarHBondContact O-CB 3.25Å; H69-A73 PolarHBondContact O-N 3.47Å; E70-A73 PolarHBondContact O-N 2.96Å; A73-L76 PolarHBondContact O-N 2.95Å; A73-Q77 WeakPolarHBondContact O-CB 3.35Å; A73-Q77 PolarHBondContact O-N 3.24Å
74T96.2Very high95.8Very high73 Ų7399.5 Ų99.545%0.44852%0.521SS..Hα-helixtrans-63.9-43.4177.7-59.40000111.8E70 D71 Q77 S78E70-T74 WeakPolarHBondContact O-CB 3.39Å; E70-T74 PolarHBondContact O-N 3.5Å; E70-T74 PolarHBondContact O-OG1 3.31Å; D71-T74 PolarHBondContact O-N 3.19Å; T74-Q77 PolarHBondContact O-N 3.35Å; T74-S78 WeakPolarHBondContact O-CB 3.45Å; T74-S78 PolarHBondContact O-N 2.96Å; T74-S78 PolarHBondContact O-OG 2.89Å
75A96.5Very high96Very high59 Ų5998.5 Ų98.549%0.48852%0.516SS..Hα-helixtrans-63-43.4176.400000111.7D71 V72 S78 F79D71-A75 VanDerWaalsContact O-CB 3.29Å; D71-A75 WeakPolarHBondContact O-CB 3.41Å; D71-A75 PolarHBondContact O-N 3Å; V72-A75 PolarHBondContact O-N 2.88Å; A75-S78 PolarHBondContact O-N 3.38Å; A75-F79 WeakPolarHBondContact O-CB 3.3Å; A75-F79 PolarHBondContact O-N 3.46Å
76L97.4Very high96.3Very high83 Ų8398.2 Ų98.244%0.43551%0.514SS..Hα-helixtrans-64.3-41.7176-77.5171.6000112.1V72 A73 F79 R80V72-L76 HydrophobicContact CG1-CD1 3.9Å; V72-L76 HydrophobicContact CG1-CG 4.35Å; V72-L76 WeakPolarHBondContact O-CB 3.29Å; V72-L76 VanDerWaalsContact O-CG 3.3Å; V72-L76 WeakPolarHBondContact O-CG 3.33Å; V72-L76 PolarHBondContact O-N 3.34Å; A73-L76 PolarHBondContact O-N 2.95Å; L76-F79 PolarHBondContact O-N 3.5Å; L76-R80 WeakPolarHBondContact O-CB 3.47Å; L76-R80 VanDerWaalsContact O-CG 3.25Å; L76-R80 WeakPolarHBondContact O-CG 3.24Å; L76-R80 PolarHBondContact O-N 2.79Å
77Q98.1Very high96.5Very high139 Ų13997.4 Ų97.465%0.6551%0.507SS*.Hα-helixtrans-62-45.1176.2-173.7179.99.400111.2A73 T74 R80 R81A73-Q77 WeakPolarHBondContact O-CB 3.35Å; A73-Q77 PolarHBondContact O-N 3.24Å; T74-Q77 PolarHBondContact O-N 3.35Å; Q77-R80 PolarHBondContact O-N 2.87Å; Q77-R81 PolarHBondContact O-N 2.91Å
78S98Very high96.9Very high65 Ų6597.8 Ų97.846%0.45551%0.51SS..Hα-helixtrans-61.6-45.4176.3-60.50000111.5T74 A75 R80 R81 V82T74-S78 WeakPolarHBondContact O-CB 3.45Å; T74-S78 PolarHBondContact O-N 2.96Å; T74-S78 PolarHBondContact O-OG 2.89Å; A75-S78 PolarHBondContact O-N 3.38Å; S78-R80 PolarHBondContact O-N 3.34Å; S78-R81 PolarHBondContact O-N 2.89Å; S78-V82 WeakPolarHBondContact O-CG2 3.29Å; S78-V82 PolarHBondContact O-N 3.3Å
79F98.1Very high97.2Very high140 Ų14094.2 Ų94.261%0.61450%0.501SS*.Hα-helixtrans-61.3-42.6176.6178.8-98.4000112.6A75 L76 V82 S83A75-F79 WeakPolarHBondContact O-CB 3.3Å; A75-F79 PolarHBondContact O-N 3.46Å; L76-F79 PolarHBondContact O-N 3.5Å; F79-V82 PolarHBondContact O-N 2.91Å; F79-S83 VanDerWaalsContact O-CB 3.28Å; F79-S83 WeakPolarHBondContact O-CB 3.31Å; F79-S83 PolarHBondContact O-N 2.95Å; F79-S83 PolarHBondContact O-OG 2.93Å
80R98.5Very high97.4Very high172 Ų17295.9 Ų95.965%0.64950%0.502SS*.Hα-helixtrans-60-49.3175.7-75.7172.4-176.1177.33.1110.8L76 Q77 S78 V82 S83 T84L76-R80 WeakPolarHBondContact O-CB 3.47Å; L76-R80 VanDerWaalsContact O-CG 3.25Å; L76-R80 WeakPolarHBondContact O-CG 3.24Å; L76-R80 PolarHBondContact O-N 2.79Å; Q77-R80 PolarHBondContact O-N 2.87Å; S78-R80 PolarHBondContact O-N 3.34Å; R80-V82 PolarHBondContact O-N 3.37Å; R80-S83 PolarHBondContact O-N 3.41Å; R80-T84 PolarHBondContact O-N 2.9Å; R80-T84 PolarHBondContact O-OG1 2.88Å
81R98.4Very high97.7Very high180 Ų18095.1 Ų95.168%0.67950%0.498SS*.Hα-helixtrans-57.3-51.9177.6179.6-179172.8-177.30.9111.6Q77 S78 S83 T84 D85Q77-R81 PolarHBondContact O-N 2.91Å; S78-R81 PolarHBondContact O-N 2.89Å; R81-S83 VanDerWaalsContact C-N 3.28Å; R81-S83 PolarHBondContact O-N 3.38Å; R81-T84 PolarHBondContact O-N 2.88Å; R81-D85 IonicContact NE-OD2 2.75Å; R81-D85 PolarHBondContact O-N 3.12Å
82V98.5Very high97.9Very high84 Ų8497.6 Ų97.651%0.50950%0.499SS..Hα-helixtrans-60.5-40.6179.4172.40000110.9S78 F79 R80 T84 D85 V86S78-V82 WeakPolarHBondContact O-CG2 3.29Å; S78-V82 PolarHBondContact O-N 3.3Å; F79-V82 PolarHBondContact O-N 2.91Å; R80-V82 PolarHBondContact O-N 3.37Å; V82-T84 PolarHBondContact O-N 3.35Å; V82-D85 PolarHBondContact O-N 2.82Å; V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.5Å; V82-V86 VanDerWaalsContact O-CG2 3.23Å; V82-V86 WeakPolarHBondContact O-CG2 3.49Å; V82-V86 PolarHBondContact O-N 2.83Å
83S98.6Very high98.1Very high48 Ų4898.4 Ų98.434%0.33650%0.5SS..Hα-helixtrans-62.6-43.2177.2-62.80000112.2F79 R80 R81 Q87F79-S83 VanDerWaalsContact O-CB 3.28Å; F79-S83 WeakPolarHBondContact O-CB 3.31Å; F79-S83 PolarHBondContact O-N 2.95Å; F79-S83 PolarHBondContact O-OG 2.93Å; R80-S83 PolarHBondContact O-N 3.41Å; R81-S83 VanDerWaalsContact C-N 3.28Å; R81-S83 PolarHBondContact O-N 3.38Å; S83-Q87 WeakPolarHBondContact O-CB 3.32Å; S83-Q87 PolarHBondContact O-N 2.94Å
84T98.5Very high98.2Very high86 Ų86103.1 Ų103.153%0.52851%0.512SS..Hα-helixtrans-64.5-43.4175-60.80000111.8R80 R81 V82 Q87 T88R80-T84 PolarHBondContact O-N 2.9Å; R80-T84 PolarHBondContact O-OG1 2.88Å; R81-T84 PolarHBondContact O-N 2.88Å; V82-T84 PolarHBondContact O-N 3.35Å; T84-Q87 PolarHBondContact O-N 2.89Å; T84-T88 WeakPolarHBondContact O-CB 3.11Å; T84-T88 PolarHBondContact O-N 3.4Å; T84-T88 PolarHBondContact O-OG1 3.29Å
85D98.6Very high98.4Very high86 Ų86104.8 Ų104.846%0.4652%0.516SS..Hα-helixtrans-62.8-44.4178.3-71-17.3000110.9R81 V82 T88 A89R81-D85 IonicContact NE-OD2 2.75Å; R81-D85 PolarHBondContact O-N 3.12Å; V82-D85 PolarHBondContact O-N 2.82Å; D85-T88 PolarHBondContact O-N 3.05Å; D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.44Å
86V98.6Very high98.5Very high77 Ų77106.7 Ų106.747%0.46752%0.517SS..Hα-helixtrans-62.3-44.8175.6168.70000111V82 A89 R90V82-V86 HydrophobicContact CG1-CG2 4.27Å; V82-V86 WeakPolarHBondContact O-CB 3.5Å; V82-V86 VanDerWaalsContact O-CG2 3.23Å; V82-V86 WeakPolarHBondContact O-CG2 3.49Å; V82-V86 PolarHBondContact O-N 2.83Å; V86-A89 PolarHBondContact O-N 3.35Å; V86-R90 HydrophobicContact CG1-CG 4.5Å; V86-R90 VanDerWaalsContact O-CG 3.27Å; V86-R90 WeakPolarHBondContact O-CG 3.46Å; V86-R90 PolarHBondContact O-N 2.98Å
87Q98.5Very high98.5Very high90 Ų90109.2 Ų109.242%0.42153%0.525SS..Hα-helixtrans-62-47.1178.3-178.858.123.100111.3S83 T84 A89 R90 E91S83-Q87 WeakPolarHBondContact O-CB 3.32Å; S83-Q87 PolarHBondContact O-N 2.94Å; T84-Q87 PolarHBondContact O-N 2.89Å; Q87-A89 VanDerWaalsContact C-N 3.32Å; Q87-A89 PolarHBondContact O-N 2.9Å; Q87-R90 WeakPolarHBondContact O-CB 3.48Å; Q87-R90 PolarHBondContact O-N 3.34Å; Q87-R90 VanDerWaalsContact O-N 3.16Å; Q87-E91 PolarHBondContact NE2-OE1 2.92Å; Q87-E91 WeakPolarHBondContact O-CG 3.37Å; Q87-E91 PolarHBondContact O-N 2.95Å
88T98.6Very high98.5Very high65 Ų65106.8 Ų106.840%0.39952%0.516SS..Hα-helixtrans-59.7-43.5177-55.30000111.2T84 D85 R90 E91 R92T84-T88 WeakPolarHBondContact O-CB 3.11Å; T84-T88 PolarHBondContact O-N 3.4Å; T84-T88 PolarHBondContact O-OG1 3.29Å; D85-T88 PolarHBondContact O-N 3.05Å; T88-R90 PolarHBondContact O-N 3.49Å; T88-E91 PolarHBondContact O-N 3.01Å; T88-R92 WeakPolarHBondContact O-CG 3.27Å; T88-R92 PolarHBondContact O-N 3.22Å
89A98.7Very high98.6Very high46 Ų46108.1 Ų108.138%0.3852%0.518SS..Hα-helixtrans-62-42.5176.500000111.9D85 V86 Q87 E91 R92 I93D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.44Å; V86-A89 PolarHBondContact O-N 3.35Å; Q87-A89 VanDerWaalsContact C-N 3.32Å; Q87-A89 PolarHBondContact O-N 2.9Å; A89-E91 PolarHBondContact O-N 2.99Å; A89-R92 PolarHBondContact O-N 3.49Å; A89-I93 VanDerWaalsContact O-CG1 3.28Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 2.86Å
90R98.7Very high98.6Very high167 Ų167106.2 Ų106.263%0.6351%0.514SS*.Hα-helixtrans-62.2-42.2177-72173.373.7167.34.2112V86 Q87 T88 I93 K94V86-R90 HydrophobicContact CG1-CG 4.5Å; V86-R90 VanDerWaalsContact O-CG 3.27Å; V86-R90 WeakPolarHBondContact O-CG 3.46Å; V86-R90 PolarHBondContact O-N 2.98Å; Q87-R90 WeakPolarHBondContact O-CB 3.48Å; Q87-R90 PolarHBondContact O-N 3.34Å; Q87-R90 VanDerWaalsContact O-N 3.16Å; T88-R90 PolarHBondContact O-N 3.49Å; R90-I93 PolarHBondContact O-N 3.41Å; R90-K94 PolarHBondContact O-N 3.27Å
91E98.6Very high98.6Very high109 Ų109101.3 Ų101.351%0.50951%0.506SS..Hα-helixtrans-64.3-44.7176.3-72.7171.9-169.400111.7Q87 T88 A89 I93 K94 M95Q87-E91 PolarHBondContact NE2-OE1 2.92Å; Q87-E91 WeakPolarHBondContact O-CG 3.37Å; Q87-E91 PolarHBondContact O-N 2.95Å; T88-E91 PolarHBondContact O-N 3.01Å; A89-E91 PolarHBondContact O-N 2.99Å; E91-I93 VanDerWaalsContact C-N 3.35Å; E91-I93 PolarHBondContact O-N 2.95Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.38Å; E91-K94 VanDerWaalsContact O-N 3.17Å; E91-M95 PolarHBondContact O-N 3.5Å
92R98.6Very high98.6Very high160 Ų16095.8 Ų95.860%0.60450%0.495SS*.Hα-helixtrans-59.3-44.3174.6-72.9175.767.6178.21.8112T88 A89 K94 M95 I96T88-R92 WeakPolarHBondContact O-CG 3.27Å; T88-R92 PolarHBondContact O-N 3.22Å; A89-R92 PolarHBondContact O-N 3.49Å; R92-K94 VanDerWaalsContact C-N 3.33Å; R92-K94 PolarHBondContact O-N 3.49Å; R92-M95 PolarHBondContact O-N 3.23Å; R92-I96 VanDerWaalsContact O-CG1 3.28Å; R92-I96 WeakPolarHBondContact O-CG1 3.33Å; R92-I96 PolarHBondContact O-N 3.38Å
93I98.7Very high98.6Very high92 Ų9295 Ų9547%0.47249%0.492SS..Hα-helixtrans-60.4-44.3176-70.8164.5000110.6A89 R90 E91 M95 I96 K97A89-I93 VanDerWaalsContact O-CG1 3.28Å; A89-I93 WeakPolarHBondContact O-CG1 3.48Å; A89-I93 PolarHBondContact O-N 2.86Å; R90-I93 PolarHBondContact O-N 3.41Å; E91-I93 VanDerWaalsContact C-N 3.35Å; E91-I93 PolarHBondContact O-N 2.95Å; I93-M95 PolarHBondContact O-N 2.81Å; I93-I96 PolarHBondContact O-N 3.15Å; I93-K97 HydrophobicContact CG2-CD 4.14Å; I93-K97 HydrophobicContact CG2-CG 4.44Å; I93-K97 WeakPolarHBondContact O-CB 3.36Å; I93-K97 WeakPolarHBondContact O-CG 3.43Å; I93-K97 PolarHBondContact O-N 3.19Å
94K98.6Very high98.6Very high145 Ų14596.8 Ų96.863%0.6350%0.496SS*.Hα-helixtrans-60.3-45.8177.6-173.3-179.3-179.9-176.70111.3R90 E91 R92 K97 N98R90-K94 PolarHBondContact O-N 3.27Å; E91-K94 WeakPolarHBondContact O-CB 3.29Å; E91-K94 PolarHBondContact O-N 3.38Å; E91-K94 VanDerWaalsContact O-N 3.17Å; R92-K94 VanDerWaalsContact C-N 3.33Å; R92-K94 PolarHBondContact O-N 3.49Å; K94-K97 PolarHBondContact O-N 3.45Å; K94-N98 VanDerWaalsContact O-CG 3.29Å; K94-N98 PolarHBondContact O-N 3.15Å
95M98.6Very high98.6Very high108 Ų10897.9 Ų97.953%0.53250%0.498SS..Hα-helixtrans-60.9-48.4176.9-176.8-179.467.600111.9E91 R92 I93 K97 N98 N99E91-M95 PolarHBondContact O-N 3.5Å; R92-M95 PolarHBondContact O-N 3.23Å; I93-M95 PolarHBondContact O-N 2.81Å; M95-K97 VanDerWaalsContact C-N 3.33Å; M95-K97 PolarHBondContact O-N 2.95Å; M95-N98 PolarHBondContact O-N 2.93Å; M95-N99 PolarHBondContact O-N 3.13Å; M95-N99 PolarHBondContact O-OD1 2.85Å
96I98.8Very high98.6Very high99 Ų9999.4 Ų99.451%0.50851%0.505SS..Hα-helixtrans-60.3-43.5178.5-68.6165.6000110.9R92 I93 N98 N99 L100R92-I96 VanDerWaalsContact O-CG1 3.28Å; R92-I96 WeakPolarHBondContact O-CG1 3.33Å; R92-I96 PolarHBondContact O-N 3.38Å; I93-I96 PolarHBondContact O-N 3.15Å; I96-N98 VanDerWaalsContact C-N 3.34Å; I96-N98 PolarHBondContact O-N 2.93Å; I96-N99 PolarHBondContact O-N 3.33Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 PolarHBondContact O-N 3.27Å
97K98.7Very high98.6Very high135 Ų135101.6 Ų101.659%0.58751%0.513SS*.Hα-helixtrans-58.5-45.4175.9-78-179.3173.9-175.20111.7I93 K94 M95 L100 S101I93-K97 HydrophobicContact CG2-CD 4.14Å; I93-K97 HydrophobicContact CG2-CG 4.44Å; I93-K97 WeakPolarHBondContact O-CB 3.36Å; I93-K97 WeakPolarHBondContact O-CG 3.43Å; I93-K97 PolarHBondContact O-N 3.19Å; K94-K97 PolarHBondContact O-N 3.45Å; M95-K97 VanDerWaalsContact C-N 3.33Å; M95-K97 PolarHBondContact O-N 2.95Å; K97-L100 PolarHBondContact O-N 2.95Å; K97-S101 PolarHBondContact O-N 2.8Å; K97-S101 PolarHBondContact O-OG 3.35Å; K97-S101 VanDerWaalsContact O-OG 3.08Å
98N98.7Very high98.6Very high89 Ų89103.9 Ų103.948%0.47652%0.518SS..Hα-helixtrans-64.1-42.3178.3-69.7-9.5000112.1K94 M95 I96 S101 S102K94-N98 VanDerWaalsContact O-CG 3.29Å; K94-N98 PolarHBondContact O-N 3.15Å; M95-N98 PolarHBondContact O-N 2.93Å; I96-N98 VanDerWaalsContact C-N 3.34Å; I96-N98 PolarHBondContact O-N 2.93Å; N98-S101 PolarHBondContact O-N 3.43Å; N98-S102 WeakPolarHBondContact O-CB 3.41Å; N98-S102 PolarHBondContact O-N 3Å; N98-S102 PolarHBondContact O-OG 2.88Å
99N98.7Very high98.6Very high92 Ų92104.1 Ų104.149%0.49252%0.522SS..Hα-helixtrans-62.9-44.8176.8-69.3-5.5000111M95 I96 S101 S102 C103M95-N99 PolarHBondContact O-N 3.13Å; M95-N99 PolarHBondContact O-OD1 2.85Å; I96-N99 PolarHBondContact O-N 3.33Å; N99-S101 PolarHBondContact O-N 3.49Å; N99-S102 WeakPolarHBondContact O-CB 3.33Å; N99-S102 PolarHBondContact O-N 3.34Å; N99-C103 PolarHBondContact O-N 3.41Å; N99-C103 PolarHBondContact O-SG 2.92Å
100L98.7Very high98.6Very high100 Ų100107.8 Ų107.852%0.52453%0.529SS..Hα-helixtrans-62.4-44.6177.7-177.261.4000111.7I96 K97 S102 C103 Q104I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 PolarHBondContact O-N 3.27Å; K97-L100 PolarHBondContact O-N 2.95Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 3.24Å; L100-C103 PolarHBondContact O-N 2.89Å; L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.29Å; L100-Q104 WeakPolarHBondContact O-CG 3.39Å; L100-Q104 PolarHBondContact O-N 3.03Å
101S98.5Very high98.6Very high69 Ų69106.8 Ų106.848%0.48353%0.525SS..Hα-helixtrans-58.9-40.7174.9-64.10000111.9K97 N98 N99 Q104 L105K97-S101 PolarHBondContact O-N 2.8Å; K97-S101 PolarHBondContact O-OG 3.35Å; K97-S101 VanDerWaalsContact O-OG 3.08Å; N98-S101 PolarHBondContact O-N 3.43Å; N99-S101 PolarHBondContact O-N 3.49Å; S101-Q104 PolarHBondContact O-N 3.46Å; S101-L105 PolarHBondContact O-N 2.77Å
102S98.5Very high98.6Very high65 Ų65105.6 Ų105.646%0.45552%0.522SS..Hα-helixtrans-66.3-45.5177.2-55.70000111.6N98 N99 L100 Q104 L105 L106N98-S102 WeakPolarHBondContact O-CB 3.41Å; N98-S102 PolarHBondContact O-N 3Å; N98-S102 PolarHBondContact O-OG 2.88Å; N99-S102 WeakPolarHBondContact O-CB 3.33Å; N99-S102 PolarHBondContact O-N 3.34Å; L100-S102 VanDerWaalsContact C-N 3.28Å; L100-S102 PolarHBondContact O-N 3.24Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-Q104 PolarHBondContact O-N 3.46Å; S102-L105 WeakPolarHBondContact O-CB 3.47Å; S102-L105 PolarHBondContact O-N 2.98Å; S102-L106 WeakPolarHBondContact O-CG 3.19Å; S102-L106 PolarHBondContact O-N 3.49Å
103C98.6Very high98.6Very high66 Ų66102.4 Ų102.445%0.44651%0.514SS..Hα-helixtrans-60.3-42.8174.7-69.90000111.8N99 L100 L105 L106 L107N99-C103 PolarHBondContact O-N 3.41Å; N99-C103 PolarHBondContact O-SG 2.92Å; L100-C103 PolarHBondContact O-N 2.89Å; C103-L105 VanDerWaalsContact C-N 3.31Å; C103-L105 PolarHBondContact O-N 3.36Å; C103-L106 PolarHBondContact O-N 2.86Å; C103-L107 WeakPolarHBondContact O-CB 3.05Å; C103-L107 VanDerWaalsContact O-CG 3.26Å; C103-L107 WeakPolarHBondContact O-CG 3.37Å; C103-L107 PolarHBondContact O-N 2.82Å
104Q98.7Very high98.6Very high87 Ų87103.6 Ų103.641%0.40752%0.521SS..Hα-helixtrans-60.4-41.2176.4-75.8176.9-3.200111.9L100 S101 S102 R108L100-Q104 WeakPolarHBondContact O-CB 3.38Å; L100-Q104 VanDerWaalsContact O-CG 3.29Å; L100-Q104 WeakPolarHBondContact O-CG 3.39Å; L100-Q104 PolarHBondContact O-N 3.03Å; S101-Q104 PolarHBondContact O-N 3.46Å; S102-Q104 VanDerWaalsContact C-N 3.33Å; S102-Q104 PolarHBondContact O-N 3.46Å; Q104-R108 WeakPolarHBondContact O-CB 2.87Å; Q104-R108 VanDerWaalsContact O-CG 3.25Å; Q104-R108 WeakPolarHBondContact O-CG 3.38Å; Q104-R108 PolarHBondContact O-N 2.83Å
105L98.7Very high98.6Very high109 Ų109103.2 Ų103.257%0.57152%0.52SS*.Hα-helixtrans-62.8-49.7175.8-18061.7000111.3S101 S102 C103 L107 R108 C109S101-L105 PolarHBondContact O-N 2.77Å; S102-L105 WeakPolarHBondContact O-CB 3.47Å; S102-L105 PolarHBondContact O-N 2.98Å; C103-L105 VanDerWaalsContact C-N 3.31Å; C103-L105 PolarHBondContact O-N 3.36Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.85Å; L105-R108 WeakPolarHBondContact O-CB 3.48Å; L105-R108 PolarHBondContact O-N 3.01Å; L105-R108 VanDerWaalsContact O-N 3.16Å; L105-C109 PolarHBondContact O-N 3.19Å; L105-C109 PolarHBondContact O-SG 3.11Å
106L98.6Very high98.7Very high118 Ų118104.2 Ų104.262%0.61852%0.521SS*.Hα-helixtrans-59-43.9178.7-69.9173.1000112.2S102 C103 R108 C109 K110S102-L106 WeakPolarHBondContact O-CG 3.19Å; S102-L106 PolarHBondContact O-N 3.49Å; C103-L106 PolarHBondContact O-N 2.86Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.22Å; L106-C109 PolarHBondContact O-N 3.08Å; L106-K110 WeakPolarHBondContact O-CG 3.33Å; L106-K110 PolarHBondContact O-N 3.08Å
107L98.8Very high98.6Very high122 Ų122103.9 Ų103.964%0.63952%0.519SS*.Hα-helixtrans-63.6-39.4177-72.4171.6000112C103 L105 K110 R111C103-L107 WeakPolarHBondContact O-CB 3.05Å; C103-L107 VanDerWaalsContact O-CG 3.26Å; C103-L107 WeakPolarHBondContact O-CG 3.37Å; C103-L107 PolarHBondContact O-N 2.82Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.85Å; L107-K110 PolarHBondContact O-N 3.44Å; L107-R111 VanDerWaalsContact O-CB 3.29Å; L107-R111 WeakPolarHBondContact O-CB 3.33Å; L107-R111 PolarHBondContact O-N 3.34Å
108R98.7Very high98.6Very high139 Ų139106 Ų10653%0.52552%0.524SS..Hα-helixtrans-62.5-49.4173.9-74.3172.2-175.7-1752.7111.1Q104 L105 L106 K110 R111 D112Q104-R108 WeakPolarHBondContact O-CB 2.87Å; Q104-R108 VanDerWaalsContact O-CG 3.25Å; Q104-R108 WeakPolarHBondContact O-CG 3.38Å; Q104-R108 PolarHBondContact O-N 2.83Å; L105-R108 WeakPolarHBondContact O-CB 3.48Å; L105-R108 PolarHBondContact O-N 3.01Å; L105-R108 VanDerWaalsContact O-N 3.16Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.22Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.37Å; R108-R111 WeakPolarHBondContact O-CB 3.45Å; R108-R111 PolarHBondContact O-N 2.99Å; R108-D112 WeakPolarHBondContact O-CB 3.42Å; R108-D112 PolarHBondContact O-N 3.29Å
109C98.5Very high98.6Very high70 Ų70106.1 Ų106.147%0.47352%0.524SS..Hα-helixtrans-56.2-46.5177.2-65.70000111.7L105 L106 D112 E113L105-C109 PolarHBondContact O-N 3.19Å; L105-C109 PolarHBondContact O-SG 3.11Å; L106-C109 PolarHBondContact O-N 3.08Å; C109-D112 PolarHBondContact O-N 3.42Å; C109-E113 WeakPolarHBondContact O-CB 3.3Å; C109-E113 PolarHBondContact O-N 3.28Å
110K98.5Very high98.6Very high123 Ų123105.4 Ų105.454%0.53552%0.518SS..Hα-helixtrans-64.4-41.2178.5-76.6-73.2161-155.60112.9L106 L107 R108 D112 E113 L114L106-K110 WeakPolarHBondContact O-CG 3.33Å; L106-K110 PolarHBondContact O-N 3.08Å; L107-K110 PolarHBondContact O-N 3.44Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 3.37Å; K110-D112 VanDerWaalsContact C-N 3.33Å; K110-E113 IonicContact NZ-OE2 3.78Å; K110-E113 PolarHBondContact NZ-OE2 2.99Å; K110-E113 PolarHBondContact O-N 3.48Å; K110-L114 WeakPolarHBondContact O-CG 3.28Å; K110-L114 PolarHBondContact O-N 2.93Å
111R98.7Very high98.6Very high145 Ų145103 Ų10355%0.54751%0.51SS..Hα-helixtrans-61.2-43.6174.6-179.4-165.964.8-163.8-3.3111.4L107 R108 L114 K115L107-R111 VanDerWaalsContact O-CB 3.29Å; L107-R111 WeakPolarHBondContact O-CB 3.33Å; L107-R111 PolarHBondContact O-N 3.34Å; R108-R111 WeakPolarHBondContact O-CB 3.45Å; R108-R111 PolarHBondContact O-N 2.99Å; R111-L114 PolarHBondContact O-N 2.92Å; R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 PolarHBondContact O-N 3.11Å
112D98.7Very high98.6Very high84 Ų84102 Ų10245%0.44951%0.505SS..Hα-helixtrans-70.4-37-177.4-60.2-13.6000111R108 C109 K110 K115 K116R108-D112 WeakPolarHBondContact O-CB 3.42Å; R108-D112 PolarHBondContact O-N 3.29Å; C109-D112 PolarHBondContact O-N 3.42Å; K110-D112 VanDerWaalsContact C-N 3.33Å; D112-K115 PolarHBondContact O-N 2.87Å; D112-K116 PolarHBondContact O-N 3.45Å
113E98.6Very high98.5Very high93 Ų93105.1 Ų105.144%0.43551%0.512SS..Hα-helixtrans-60.5-48.3170.8-176.2179.1-163.400111.9C109 K110 K115 K116 L117C109-E113 WeakPolarHBondContact O-CB 3.3Å; C109-E113 PolarHBondContact O-N 3.28Å; K110-E113 IonicContact NZ-OE2 3.78Å; K110-E113 PolarHBondContact NZ-OE2 2.99Å; K110-E113 PolarHBondContact O-N 3.48Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.13Å; E113-K116 WeakPolarHBondContact O-CB 3.35Å; E113-K116 PolarHBondContact O-N 3.49Å; E113-L117 HydrophobicContact CG-CD1 4.41Å; E113-L117 WeakPolarHBondContact O-CG 3.5Å; E113-L117 PolarHBondContact O-N 3.42Å
114L98.8Very high98.5Very high117 Ų117107.3 Ų107.361%0.61352%0.519SS*.Hα-helixtrans-61-40.6176.4-75.4171.8000112.1K110 R111 K116 L117 W118K110-L114 WeakPolarHBondContact O-CG 3.28Å; K110-L114 PolarHBondContact O-N 2.93Å; R111-L114 PolarHBondContact O-N 2.92Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.24Å; L114-L117 PolarHBondContact O-N 3.37Å; L114-W118 WeakPolarHBondContact O-CB 3.44Å; L114-W118 PolarHBondContact O-N 3.4Å
115K98.6Very high98.4Very high138 Ų138109.3 Ų109.360%0.653%0.527SS*.Hα-helixtrans-62-42.4176.4-175.7179.1178.1-177.30111.4R111 D112 E113 W118 L119R111-K115 WeakPolarHBondContact O-CB 3.46Å; R111-K115 PolarHBondContact O-N 3.11Å; D112-K115 PolarHBondContact O-N 2.87Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 3.13Å; K115-W118 PolarHBondContact O-N 3.06Å; K115-L119 HydrophobicContact CG-CD1 4.5Å; K115-L119 WeakPolarHBondContact O-CG 3.33Å; K115-L119 PolarHBondContact O-N 3.49Å; K115-L119 VanDerWaalsContact O-N 3.11Å
116K98.6Very high98.4Very high129 Ų129111 Ų11156%0.56153%0.527SS*.Hα-helixtrans-60.3-52.7175.7177.8-179.5169.2-179.30111.1D112 E113 L114 W118 L119 E120D112-K116 PolarHBondContact O-N 3.45Å; E113-K116 WeakPolarHBondContact O-CB 3.35Å; E113-K116 PolarHBondContact O-N 3.49Å; L114-K116 VanDerWaalsContact C-N 3.33Å; L114-K116 PolarHBondContact O-N 3.24Å; K116-W118 VanDerWaalsContact C-N 3.25Å; K116-W118 PolarHBondContact O-N 2.99Å; K116-L119 PolarHBondContact O-N 3.34Å; K116-L119 VanDerWaalsContact O-N 3.12Å; K116-E120 WeakPolarHBondContact CE-OE1 3.48Å; K116-E120 IonicContact NZ-OE1 3.94Å; K116-E120 WeakPolarHBondContact O-CG 3.4Å; K116-E120 PolarHBondContact O-N 3.14Å
117L98.6Very high98.3Very high91 Ų91108.5 Ų108.548%0.47652%0.516SS..Hα-helixtrans-59.7-36.7179.5-69.6172.4000112.5E113 L114 S121E113-L117 HydrophobicContact CG-CD1 4.41Å; E113-L117 WeakPolarHBondContact O-CG 3.5Å; E113-L117 PolarHBondContact O-N 3.42Å; L114-L117 PolarHBondContact O-N 3.37Å; L117-S121 WeakPolarHBondContact O-CB 3.36Å; L117-S121 PolarHBondContact O-N 2.85Å
118W98.5Very high98.2Very high179 Ų179106.1 Ų106.168%0.67851%0.506SS*.Hα-helixtrans-65.1-43.5176.2-179.281.6000112.3L114 K115 K116 S121 A122L114-W118 WeakPolarHBondContact O-CB 3.44Å; L114-W118 PolarHBondContact O-N 3.4Å; K115-W118 PolarHBondContact O-N 3.06Å; K116-W118 VanDerWaalsContact C-N 3.25Å; K116-W118 PolarHBondContact O-N 2.99Å; W118-S121 PolarHBondContact O-N 2.9Å; W118-A122 PolarHBondContact O-N 3.31Å
119L98.6Very high98.2Very high92 Ų92107.2 Ų107.248%0.48251%0.51SS..Hα-helixtrans-63.6-46.7176.2-71.5170.5000111.5K115 K116 S121 A122 E123K115-L119 HydrophobicContact CG-CD1 4.5Å; K115-L119 WeakPolarHBondContact O-CG 3.33Å; K115-L119 PolarHBondContact O-N 3.49Å; K115-L119 VanDerWaalsContact O-N 3.11Å; K116-L119 PolarHBondContact O-N 3.34Å; K116-L119 VanDerWaalsContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 2.94Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 2.83Å; L119-A122 VanDerWaalsContact O-N 3.13Å; L119-E123 PolarHBondContact O-N 3.43Å
120E98.3Very high98.1Very high77 Ų77107.4 Ų107.436%0.3651%0.506SS..Hα-helixtrans-59.2-42.4176.2-70.7174.1175.200111.3K116 A122 E123 L124K116-E120 WeakPolarHBondContact CE-OE1 3.48Å; K116-E120 IonicContact NZ-OE1 3.94Å; K116-E120 WeakPolarHBondContact O-CG 3.4Å; K116-E120 PolarHBondContact O-N 3.14Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.46Å; E120-E123 PolarHBondContact O-N 3.18Å; E120-L124 WeakPolarHBondContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.35Å; E120-L124 PolarHBondContact O-N 2.9Å
121S98.2Very high98Very high51 Ų51106.8 Ų106.836%0.35751%0.508SS..Hα-helixtrans-63.6-38.3175.8-174.40000112.5L117 W118 L119 K125L117-S121 WeakPolarHBondContact O-CB 3.36Å; L117-S121 PolarHBondContact O-N 2.85Å; W118-S121 PolarHBondContact O-N 2.9Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 2.94Å; S121-K125 VanDerWaalsContact O-CG 3.26Å; S121-K125 WeakPolarHBondContact O-CG 3.4Å; S121-K125 PolarHBondContact O-N 3.14Å
122A98Very high97.8Very high46 Ų46106.7 Ų106.738%0.3851%0.514SS..Hα-helixtrans-66.5-41.717700000111.7W118 L119 E120 K125 Y126W118-A122 PolarHBondContact O-N 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 2.83Å; L119-A122 VanDerWaalsContact O-N 3.13Å; E120-A122 VanDerWaalsContact C-N 3.33Å; E120-A122 PolarHBondContact O-N 3.46Å; A122-K125 PolarHBondContact O-N 2.91Å; A122-Y126 PolarHBondContact O-N 3.49Å; A122-Y126 VanDerWaalsContact O-N 3.12Å
123E97.8Very high97.6Very high131 Ų131110.1 Ų110.161%0.61253%0.527SS*.Hα-helixtrans-63.1-47.9175.2-176174.4-16700111.6L119 E120 K125 Y126 V127L119-E123 PolarHBondContact O-N 3.43Å; E120-E123 PolarHBondContact O-N 3.18Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 3.46Å; E123-Y126 WeakPolarHBondContact O-CA 3.36Å; E123-Y126 WeakPolarHBondContact O-CB 2.79Å; E123-Y126 PolarHBondContact O-N 3.41Å; E123-V127 WeakPolarHBondContact O-CG2 3.07Å; E123-V127 PolarHBondContact O-N 2.98Å
124L97.6Very high96.9Very high113 Ų113115.2 Ų115.259%0.59256%0.556SS**Hα-helixtrans-58.2-42176.4-74.1170.8000112.1E120 Y126 V127 V128E120-L124 WeakPolarHBondContact O-CB 3.32Å; E120-L124 WeakPolarHBondContact O-CG 3.35Å; E120-L124 PolarHBondContact O-N 2.9Å; L124-Y126 VanDerWaalsContact C-N 3.28Å; L124-Y126 PolarHBondContact O-N 2.77Å; L124-V127 PolarHBondContact O-N 2.73Å; L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.32Å; L124-V128 PolarHBondContact O-N 3.23Å
125K97.8Very high96.8Very high129 Ų129115.2 Ų115.256%0.56155%0.554SS**Hα-helixtrans-61.8-37.6175.5-75170.9-174.4176.40112.2S121 A122 E123 R129S121-K125 VanDerWaalsContact O-CG 3.26Å; S121-K125 WeakPolarHBondContact O-CG 3.4Å; S121-K125 PolarHBondContact O-N 3.14Å; A122-K125 PolarHBondContact O-N 2.91Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 3.46Å; K125-R129 WeakPolarHBondContact O-CG 3.24Å; K125-R129 PolarHBondContact O-N 2.88Å
126Y97.3Very high96.7Very high145 Ų145113.9 Ų113.957%0.56955%0.551SS**Hα-helixtrans-67.9-45.4176.1178.8-105.3000111.5A122 E123 L124 V128 R129 L130A122-Y126 PolarHBondContact O-N 3.49Å; A122-Y126 VanDerWaalsContact O-N 3.12Å; E123-Y126 WeakPolarHBondContact O-CA 3.36Å; E123-Y126 WeakPolarHBondContact O-CB 2.79Å; E123-Y126 PolarHBondContact O-N 3.41Å; L124-Y126 VanDerWaalsContact C-N 3.28Å; L124-Y126 PolarHBondContact O-N 2.77Å; Y126-V128 PolarHBondContact O-N 2.95Å; Y126-R129 PolarHBondContact O-N 3.4Å; Y126-L130 HydrophobicContact CD1-CD1 3.97Å; Y126-L130 HydrophobicContact CE1-CD1 3.41Å; Y126-L130 VanDerWaalsContact CE1-CD1 3.41Å; Y126-L130 HydrophobicContact CE1-CG 4.12Å; Y126-L130 PolarHBondContact O-N 3.22Å
127V97.3Very high96.6Very high64 Ų64113.1 Ų113.139%0.38855%0.551SS.*Hα-helixtrans-59.6-45.3176.2173.30000111.4E123 L124 R129 L130 L131E123-V127 WeakPolarHBondContact O-CG2 3.07Å; E123-V127 PolarHBondContact O-N 2.98Å; L124-V127 PolarHBondContact O-N 2.73Å; V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 3.19Å; V127-L130 VanDerWaalsContact O-N 3.17Å; V127-L131 HydrophobicContact CG1-CD1 4.12Å; V127-L131 HydrophobicContact CG1-CG 4.47Å; V127-L131 WeakPolarHBondContact O-CG 3.03Å; V127-L131 PolarHBondContact O-N 2.8Å
128V97.5Very high96.5Very high72 Ų72114.4 Ų114.444%0.43656%0.555SS.*Hα-helixtrans-58.3-45.5176.6169.40000111.1L124 Y126 L130 L131 E132L124-V128 VanDerWaalsContact O-CG2 3.29Å; L124-V128 WeakPolarHBondContact O-CG2 3.32Å; L124-V128 PolarHBondContact O-N 3.23Å; Y126-V128 PolarHBondContact O-N 2.95Å; V128-L130 VanDerWaalsContact C-N 3.3Å; V128-L130 PolarHBondContact O-N 2.9Å; V128-L131 PolarHBondContact O-N 2.81Å; V128-L131 VanDerWaalsContact O-N 3.13Å; V128-E132 HydrophobicContact CG1-CG 4.39Å; V128-E132 WeakPolarHBondContact O-CG 3.49Å; V128-E132 PolarHBondContact O-N 3.04Å
129R97Very high96.4Very high163 Ų163110.4 Ų110.462%0.61555%0.547SS*.Hα-helixtrans-61.4-36.6177.2-74.1176.2-174.8-176.71.5113.2K125 Y126 V127 Q133K125-R129 WeakPolarHBondContact O-CG 3.24Å; K125-R129 PolarHBondContact O-N 2.88Å; Y126-R129 PolarHBondContact O-N 3.4Å; V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 3.1Å; R129-Q133 WeakPolarHBondContact O-CG 3.49Å; R129-Q133 PolarHBondContact O-N 3.32Å
130L96.8Very high96.2Very high73 Ų73111.6 Ų111.638%0.38255%0.552SS.*Hα-helixtrans-67.4-39.9175.4-71176.8000111.3Y126 V127 V128 E132 Q133Y126-L130 HydrophobicContact CD1-CD1 3.97Å; Y126-L130 HydrophobicContact CE1-CD1 3.41Å; Y126-L130 VanDerWaalsContact CE1-CD1 3.41Å; Y126-L130 HydrophobicContact CE1-CG 4.12Å; Y126-L130 PolarHBondContact O-N 3.22Å; V127-L130 PolarHBondContact O-N 3.19Å; V127-L130 VanDerWaalsContact O-N 3.17Å; V128-L130 VanDerWaalsContact C-N 3.3Å; V128-L130 PolarHBondContact O-N 2.9Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-Q133 PolarHBondContact O-N 3.47Å
131L96.3Very high96.1Very high110 Ų110114.1 Ų114.158%0.57657%0.565SS**Hα-helixtrans-67.3-33.6176.9-67.5173.4000112.5V127 V128 Q133 L134V127-L131 HydrophobicContact CG1-CD1 4.12Å; V127-L131 HydrophobicContact CG1-CG 4.47Å; V127-L131 WeakPolarHBondContact O-CG 3.03Å; V127-L131 PolarHBondContact O-N 2.8Å; V128-L131 PolarHBondContact O-N 2.81Å; V128-L131 VanDerWaalsContact O-N 3.13Å; L131-Q133 PolarHBondContact O-N 3.42Å; L131-L134 HydrophobicContact CD2-CD1 4.34Å; L131-L134 PolarHBondContact O-N 3.24Å
132E95.8Very high95.9Very high144 Ų144118.9 Ų118.967%0.67358%0.582SS**THydrogen-bonded Turntrans-68.6-13.5174.4-72.3172.4169.300113.6V128 L130V128-E132 HydrophobicContact CG1-CG 4.39Å; V128-E132 WeakPolarHBondContact O-CG 3.49Å; V128-E132 PolarHBondContact O-N 3.04Å; L130-E132 VanDerWaalsContact C-N 3.33Å
133Q93.3Very high95.7Very high156 Ų156125 Ų12573%0.72960%0.598SS**THydrogen-bonded Turntrans-94.3-5.3178.5-71176.2-7.400113.9R129 L130 L131R129-Q133 WeakPolarHBondContact O-CG 3.49Å; R129-Q133 PolarHBondContact O-N 3.32Å; L130-Q133 PolarHBondContact O-N 3.47Å; L131-Q133 PolarHBondContact O-N 3.42Å
134L84.1Confident95.5Very high200 Ų200124.5 Ų124.5100%1.04760%0.597SS**  trans-95.30178.4-64175.7000111.1L131L131-L134 HydrophobicContact CD2-CD1 4.34Å; L131-L134 PolarHBondContact O-N 3.24Å

Retrieved 134 of 134 residues in 61.9 ms (Link to these results)