A0A087XLM7_POEFO Loading...

PX domain-containing protein kinase-like protein

Binds to and modulates brain Na,K-ATPase subunits ATP1B1 and ATP1B3 and may thereby participate in the regulation of electrical excitability and synaptic transmission. May not display kinase activity.

AlphaFold DB , UniProt , Accession A0A087XLM7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 512 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
1M31.4Very low30.7Very low247 Ų247143.4 Ų143.4100%1.21782%0.818SS**  0111.70-69.2-90.1-100.800106.4
2S29.3Very low31.7Very low99 Ų99148 Ų14869%0.69281%0.813SS**  cis-131.9134.412.760.70000110.2L4S2-L4 PolarHBondContact O-N 3.11Å
3L30.4Very low33.3Very low168 Ų168147.1 Ų147.188%0.8881%0.814SS**  trans-53.5117.9156.9-78.7109.5000107.1E5L3-E5 PolarHBondContact O-N 2.7Å
4L38.1Very low36.5Very low164 Ų164140.4 Ų140.486%0.85978%0.775SS**  trans-60.5113.8159.8-102.190.5000106.1S2 K6S2-L4 PolarHBondContact O-N 3.11Å; L4-K6 PolarHBondContact O-N 3.26Å
5E28.8Very low39.9Very low188 Ų188133.8 Ų133.888%0.87974%0.738SS**  trans-47110.3176.3-71.6173.9138.200108.7L3 S7L3-E5 PolarHBondContact O-N 2.7Å; E5-S7 PolarHBondContact O-N 2.99Å
6K29.6Very low43.1Very low192 Ų192125.8 Ų125.884%0.83569%0.694SS**  trans-53.2113.3157.4-76.7177.3176.5177.50105.1L4L4-K6 PolarHBondContact O-N 3.26Å
7S29Very low46Very low101 Ų101119.2 Ų119.271%0.70666%0.657SS**  trans-44.7128.6156.841.60000106.7E5 T9E5-S7 PolarHBondContact O-N 2.99Å; S7-T9 PolarHBondContact O-N 3.2Å
8P27.3Very low48.6Very low114 Ų114113.1 Ų113.174%0.7462%0.624SS**  trans-55.1121.7-176.920.8-30000106.5P10P8-P10 WeakPolarHBondContact O-CD 3.23Å
9T31.5Very low50.9Low127 Ų127109.8 Ų109.878%0.77961%0.606SS**  trans-60.7106.7172.5-30.90000104.2S7 G11S7-T9 PolarHBondContact O-N 3.2Å; T9-G11 PolarHBondContact O-N 2.86Å; T9-G11 VanDerWaalsContact O-N 3.1Å
10P28Very low53Low107 Ų107108.1 Ų108.170%0.69560%0.599SS**  trans-62.8127.3-176.4-13.828.7000104.5P8 R12P8-P10 WeakPolarHBondContact O-CD 3.23Å; P10-R12 PolarHBondContact O-N 3.12Å
11G34.1Very low55Low70 Ų70103.4 Ų103.472%0.72257%0.573SS**  trans-43.9108.8169.900000106.6T9 V13T9-G11 PolarHBondContact O-N 2.86Å; T9-G11 VanDerWaalsContact O-N 3.1Å; G11-V13 PolarHBondContact O-N 3.32Å
12R43Very low58.1Low199 Ų19995.3 Ų95.375%0.75154%0.538SS*.  trans-64.594.5-173.2-96.2-178170.1179.6-2.1105P10 L14P10-R12 PolarHBondContact O-N 3.12Å; R12-L14 HydrophobicContact CB-CD2 4.41Å; R12-L14 PolarHBondContact O-N 3.23Å
13V52.2Low61.4Low136 Ų13690.9 Ų90.982%0.82451%0.507SS*.  trans-59.5100.8158.4178.40000103.4G11 L15G11-V13 PolarHBondContact O-N 3.32Å; V13-L15 PolarHBondContact O-N 3.32Å
14L78.4Confident64.6Low53 Ų5387.5 Ų87.528%0.27749%0.489SS..  trans-61.3125.3-176.5-69.1164.3000107R12 D16 L184 G185 P186R12-L14 HydrophobicContact CB-CD2 4.41Å; R12-L14 PolarHBondContact O-N 3.23Å; L14-D16 PolarHBondContact O-N 3.34Å; L14-L184 HydrophobicContact CD1-CB 4.4Å; L14-L184 WeakPolarHBondContact CD1-O 3.46Å; L14-G185 WeakPolarHBondContact CD1-O 3.26Å; L14-P186 HydrophobicContact CB-CB 4.3Å; L14-P186 WeakPolarHBondContact O-CB 3.23Å
15L86.9Confident67.5Low42 Ų4280.1 Ų80.122%0.2245%0.451CS..  trans-66.3122.9-170-177.868.5000110.8V13 D17 R43 N124 Y125 R161V13-L15 PolarHBondContact O-N 3.32Å; L15-D17 PolarHBondContact O-N 2.91Å; L15-R43 VanDerWaalsContact CD1-NH1 3.31Å; L15-N124 HydrophobicContact CD2-CB 3.59Å; L15-Y125 HydrophobicContact CD2-CE1 4.26Å; L15-Y125 HydrophobicContact CD2-CE2 3.99Å; L15-Y125 WeakPolarHBondContact CD2-OH 3.06Å; L15-R161 PolarHBondContact O-NH2 3.47Å
16D91.7Very high70.7Confident5 Ų574.9 Ų74.93%0.02743%0.427CS..  trans-81.9108173.5-165.4-30.3000110.5L14 T18 L19 R43 P186 P315 R319 R430L14-D16 PolarHBondContact O-N 3.34Å; D16-T18 PolarHBondContact O-N 3.07Å; D16-T18 WeakPolarHBondContact OD1-CB 3.48Å; D16-T18 PolarHBondContact OD1-N 3.02Å; D16-T18 PolarHBondContact OD1-OG1 2.87Å; D16-L19 HydrophobicContact CB-CD1 4.03Å; D16-L19 HydrophobicContact CB-CG 3.99Å; D16-L19 PolarHBondContact O-N 2.96Å; D16-R43 PolarHBondContact O-NH1 3.2Å; D16-R43 VanDerWaalsContact O-NH1 3.14Å; D16-P186 HydrophobicContact CB-CG 4.09Å; D16-P315 VanDerWaalsContact OD1-CB 3.28Å; D16-P315 WeakPolarHBondContact OD1-CB 3.31Å; D16-P315 WeakPolarHBondContact OD1-CG 3.35Å; D16-R319 IonicContact OD2-NE 3.69Å; D16-R430 IonicContact OD2-CZ 3.43Å; D16-R430 IonicContact OD2-NH1 2.7Å; D16-R430 IonicContact OD2-NH2 3Å; D16-R430 PolarHBondContact OD2-NH2 3.41Å
17D92.1Very high73.8Confident14 Ų1467.8 Ų67.88%0.07540%0.403CS..THydrogen-bonded Turntrans-70.7-18.5-179.6-72.2-30.6000113.7L15 L19 K117 Y125 R161L15-D17 PolarHBondContact O-N 2.91Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-K117 VanDerWaalsContact O-CE 3.31Å; D17-K117 WeakPolarHBondContact O-CE 3.15Å; D17-K117 PolarHBondContact O-NZ 2.86Å; D17-Y125 WeakPolarHBondContact OD1-CE1 3.42Å; D17-Y125 VanDerWaalsContact OD1-CZ 3.23Å; D17-Y125 PolarHBondContact OD1-OH 2.85Å; D17-R161 IonicContact OD1-CZ 3.13Å; D17-R161 IonicContact OD1-NH1 2.69Å; D17-R161 IonicContact OD1-NH2 2.74Å; D17-R161 PolarHBondContact OD1-NH2 2.8Å; D17-R161 IonicContact OD2-CZ 2.69Å; D17-R161 VanDerWaalsContact OD2-CZ 3.28Å; D17-R161 IonicContact OD2-NE 2.63Å; D17-R161 IonicContact OD2-NH1 2.67Å; D17-R161 IonicContact OD2-NH2 2.82Å; D17-R161 PolarHBondContact OD2-NH2 3.26Å
18T93.3Very high76.9Confident10 Ų1064.9 Ų64.96%0.06138%0.383CS..THydrogen-bonded Turntrans-81.9-13.6-178.7680000112.7D16 W158 P315 P320D16-T18 PolarHBondContact O-N 3.07Å; D16-T18 WeakPolarHBondContact OD1-CB 3.48Å; D16-T18 PolarHBondContact OD1-N 3.02Å; D16-T18 PolarHBondContact OD1-OG1 2.87Å; T18-W158 HydrophobicContact CG2-CH2 3.46Å; T18-W158 VanDerWaalsContact CG2-CH2 3.46Å; T18-W158 HydrophobicContact CG2-CZ3 3.73Å; T18-P315 HydrophobicContact CG2-CB 3.63Å; T18-P315 HydrophobicContact CG2-CG 3.82Å; T18-P320 WeakPolarHBondContact O-CG 3.37Å
19L92.6Very high80Confident51 Ų5163.1 Ų63.127%0.26737%0.365SS..SBendtrans-62.4124.8171.8-68.4176.9000109.7D16 D17 R43 K117D16-L19 HydrophobicContact CB-CD1 4.03Å; D16-L19 HydrophobicContact CB-CG 3.99Å; D16-L19 PolarHBondContact O-N 2.96Å; D17-L19 VanDerWaalsContact C-N 3.31Å; L19-R43 HydrophobicContact CB-CG 3.79Å; L19-R43 HydrophobicContact CD1-CG 4.13Å; L19-K117 PolarHBondContact O-NZ 3.42Å
20P92.3Very high82.8Confident74 Ų7461.5 Ų61.548%0.48135%0.352SS..PPolyproline II helixtrans-65.2143.7-178.827.2-34.2000109.9R43 G44P20-R43 WeakPolarHBondContact O-CA 3.26Å; P20-G44 PolarHBondContact O-N 3.39Å
21L95.9Very high85.6Confident10 Ų1059.7 Ų59.75%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-102.5127.4166.7-60.4-174000107.9V41 Q42 R43 W51 K117 L120 D121L21-V41 HydrophobicContact CB-CG1 4.26Å; L21-V41 HydrophobicContact CD1-CG1 4.39Å; L21-V41 HydrophobicContact CD2-CG1 4.39Å; L21-Q42 WeakPolarHBondContact CA-O 3.46Å; L21-R43 HydrophobicContact CD2-CB 3.56Å; L21-R43 HydrophobicContact CD2-CG 3.8Å; L21-W51 HydrophobicContact CD2-CH2 3.89Å; L21-W51 HydrophobicContact CD2-CZ2 4.39Å; L21-K117 HydrophobicContact CD1-CD 3.67Å; L21-K117 HydrophobicContact CG-CD 4.16Å; L21-L120 HydrophobicContact CB-CD1 4.05Å; L21-L120 HydrophobicContact CD1-CB 3.87Å; L21-L120 HydrophobicContact CD1-CD1 4.25Å; L21-D121 HydrophobicContact CD1-CB 4.45Å
22T96.1Very high87.8Confident77 Ų7766.1 Ų66.147%0.47235%0.347SS..EExtended strand (participates in β ladder)trans-102.3149.9166.158.40000108.7V41 Q42T22-V41 VanDerWaalsContact O-CA 3.29Å; T22-V41 WeakPolarHBondContact O-CA 3.26Å; T22-Q42 PolarHBondContact N-O 2.87Å; T22-Q42 PolarHBondContact O-N 3.04Å; T22-Q42 PolarHBondContact OG1-O 3.42Å
23A97.9Very high89.9Confident6 Ų661.2 Ų61.25%0.0534%0.343CS..EExtended strand (participates in β ladder)trans-139.2128.2-175.700000110.3I39 R40 Q98 L101 L120A23-I39 HydrophobicContact CB-CG2 3.88Å; A23-R40 CarbonylContact C-O 3.55Å; A23-R40 WeakPolarHBondContact CA-O 3.31Å; A23-Q98 PolarHBondContact O-NE2 2.93Å; A23-L101 HydrophobicContact CB-CB 4.45Å; A23-L101 HydrophobicContact CB-CD1 4.16Å; A23-L101 HydrophobicContact CB-CD2 4.38Å; A23-L120 HydrophobicContact CB-CD1 4.32Å; A23-L120 HydrophobicContact CB-CD2 3.76Å
24L98Very high91.6Very high97 Ų9756.7 Ų56.751%0.50831%0.313SS..EExtended strand (participates in β ladder)trans-129.7126.1179.7179.567.4000109.8E26 I39 R40L24-E26 PolarHBondContact O-N 3.15Å; L24-I39 CarbonylContact O-C 3.46Å; L24-I39 WeakPolarHBondContact O-CA 3.32Å; L24-R40 PolarHBondContact N-O 2.85Å; L24-R40 PolarHBondContact O-N 2.89Å
25I98.3Very high92.3Very high10 Ų1054.7 Ų54.75%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-77.2105.4171.7-54.1174.3000108.3Y37 I39 Q94 L97 Q98 L101I25-Y37 HydrophobicContact CG2-CD1 4.11Å; I25-I39 HydrophobicContact CG1-CG1 4.27Å; I25-Q94 HydrophobicContact CB-CG 4.31Å; I25-Q94 HydrophobicContact CD1-CG 4.46Å; I25-Q94 HydrophobicContact CG2-CG 3.8Å; I25-L97 HydrophobicContact CD1-CB 3.64Å; I25-Q98 HydrophobicContact CD1-CB 4.32Å; I25-L101 HydrophobicContact CD1-CD1 4.04Å; I25-L101 HydrophobicContact CG1-CD1 3.72Å
26E96.8Very high92.7Very high78 Ų7854.6 Ų54.636%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-82.1-35.8-177.7-66.2-172.8136.600111.8L24 I38 R40 Q52L24-E26 PolarHBondContact O-N 3.15Å; E26-I38 PolarHBondContact N-O 2.85Å; E26-R40 VanDerWaalsContact CD-CB 3.41Å; E26-R40 HydrophobicContact CG-CB 3.79Å; E26-R40 WeakPolarHBondContact OE1-CD 3.44Å; E26-R40 IonicContact OE1-NE 3.77Å; E26-R40 IonicContact OE1-NH1 2.77Å; E26-R40 PolarHBondContact OE1-NH1 3.26Å; E26-Q52 PolarHBondContact OE2-NE2 2.97Å
27A95.1Very high93Very high42 Ų4254.3 Ų54.335%0.34730%0.3SS..EExtended strand (participates in β ladder)trans-156.1167.8-176.800000111.5I38A27-I38 HydrophobicContact CB-CB 4.47Å; A27-I38 HydrophobicContact CB-CD1 4.28Å; A27-I38 PolarHBondContact O-N 3.12Å
28S93.8Very high93.3Very high41 Ų4155.1 Ų55.129%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-129.7143.9167.7630000109.8E36S28-E36 CarbonylContact C-O 3.57Å; S28-E36 WeakPolarHBondContact CA-O 3.47Å
29Q92.8Very high93.5Very high76 Ų7654.7 Ų54.736%0.35530%0.301SS..EExtended strand (participates in β ladder)trans-121.7138.4173.664.8-176.116.800110.6T35 E36Q29-T35 WeakPolarHBondContact O-CA 3.12Å; Q29-E36 HydrophobicContact CG-CB 3.86Å; Q29-E36 PolarHBondContact N-O 3.38Å; Q29-E36 PolarHBondContact NE2-OE2 3.46Å; Q29-E36 PolarHBondContact O-N 3.03Å
30N88.8Confident93.8Very high93 Ų9356.9 Ų56.950%0.49731%0.306SS..EExtended strand (participates in β ladder)trans-95.5117.1177-72.1-33.8000109.4T35 I90N30-T35 WeakPolarHBondContact OD1-CG2 3.2Å; N30-T35 PolarHBondContact OD1-OG1 3.39Å; N30-I90 WeakPolarHBondContact ND2-CD1 3.37Å; N30-I90 WeakPolarHBondContact OD1-CD1 3.27Å
31L87.6Confident94Very high69 Ų6953.4 Ų53.436%0.36128%0.283SS..  trans-96.3165.2166.8-57-177.9000109.1S33 H34 E36 M85L31-S33 PolarHBondContact O-N 3.49Å; L31-H34 WeakPolarHBondContact CA-O 3.47Å; L31-H34 WeakPolarHBondContact CB-O 3.38Å; L31-H34 PolarHBondContact N-O 2.96Å; L31-H34 PolarHBondContact O-N 3.45Å; L31-E36 VanDerWaalsContact CD1-CD 3.47Å; L31-E36 HydrophobicContact CD1-CG 4.04Å; L31-E36 WeakPolarHBondContact CD1-OE2 3.48Å; L31-M85 WeakPolarHBondContact O-CE 3.2Å
32Q81Confident94Very high206 Ų20655 Ų5596%0.96329%0.29SS*.SBendtrans-55.6-30.3-175.3-69.5177.4-9.600113.7
33S86.2Confident94Very high96 Ų9651.6 Ų51.667%0.67127%0.269SS*.SBendtrans-110.6-18.7-17659.20000114.9L31L31-S33 PolarHBondContact O-N 3.49Å
34H88.4Confident93.7Very high41 Ų4152.2 Ų52.219%0.1928%0.275CS..  trans-161.4162.2-176.260.2-76000112.9L31 E36 M85L31-H34 WeakPolarHBondContact CA-O 3.47Å; L31-H34 WeakPolarHBondContact CB-O 3.38Å; L31-H34 PolarHBondContact N-O 2.96Å; L31-H34 PolarHBondContact O-N 3.45Å; H34-E36 VanDerWaalsContact CD2-CG 3.49Å; H34-E36 WeakPolarHBondContact CD2-CG 3.48Å; H34-E36 WeakPolarHBondContact NE2-CG 3.43Å; H34-E36 IonicContact NE2-OE1 3.55Å; H34-E36 PolarHBondContact NE2-OE1 2.85Å; H34-M85 VanDerWaalsContact CA-CE 3.43Å; H34-M85 VanDerWaalsContact N-CE 3.27Å
35T92Very high93.2Very high10 Ų1049.7 Ų49.76%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-93.8133.4168.9-52.30000110Q29 N30 Y37 R56 M85 I90Q29-T35 WeakPolarHBondContact O-CA 3.12Å; N30-T35 WeakPolarHBondContact OD1-CG2 3.2Å; N30-T35 PolarHBondContact OD1-OG1 3.39Å; T35-Y37 HydrophobicContact CG2-CE1 4.25Å; T35-Y37 HydrophobicContact CG2-CE2 4.36Å; T35-R56 WeakPolarHBondContact O-CB 3.3Å; T35-M85 PolarHBondContact OG1-SD 2.96Å; T35-I90 HydrophobicContact CG2-CG1 4.46Å; T35-I90 HydrophobicContact CG2-CG2 4.05Å
36E95.9Very high92.7Very high40 Ų4051.9 Ų51.919%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-108.3146.6171.7-63.5-175.5141.400110.5S28 Q29 L31 H34 I54S28-E36 CarbonylContact C-O 3.57Å; S28-E36 WeakPolarHBondContact CA-O 3.47Å; Q29-E36 HydrophobicContact CG-CB 3.86Å; Q29-E36 PolarHBondContact N-O 3.38Å; Q29-E36 PolarHBondContact NE2-OE2 3.46Å; Q29-E36 PolarHBondContact O-N 3.03Å; L31-E36 VanDerWaalsContact CD1-CD 3.47Å; L31-E36 HydrophobicContact CD1-CG 4.04Å; L31-E36 WeakPolarHBondContact CD1-OE2 3.48Å; H34-E36 VanDerWaalsContact CD2-CG 3.49Å; H34-E36 WeakPolarHBondContact CD2-CG 3.48Å; H34-E36 WeakPolarHBondContact NE2-CG 3.43Å; H34-E36 IonicContact NE2-OE1 3.55Å; H34-E36 PolarHBondContact NE2-OE1 2.85Å; E36-I54 HydrophobicContact CB-CG2 3.74Å; E36-I54 HydrophobicContact CG-CG2 4.14Å
37Y97.4Very high91.9Very high0 Ų051.5 Ų51.50%029%0.286CS..EExtended strand (participates in β ladder)trans-114.1126.6179.4-58.9-81.9000108.6I25 T35 I54 R55 F60 R93 Q94 L97I25-Y37 HydrophobicContact CG2-CD1 4.11Å; T35-Y37 HydrophobicContact CG2-CE1 4.25Å; T35-Y37 HydrophobicContact CG2-CE2 4.36Å; Y37-I54 WeakPolarHBondContact O-CA 3.24Å; Y37-R55 WeakPolarHBondContact CD2-O 3.4Å; Y37-R55 PolarHBondContact N-O 2.83Å; Y37-R55 PolarHBondContact O-N 2.7Å; Y37-F60 HydrophobicContact CD2-CE2 4.33Å; Y37-R93 WeakPolarHBondContact OH-CD 3.49Å; Y37-R93 WeakPolarHBondContact OH-CG 3.41Å; Y37-Q94 HydrophobicContact CD1-CB 4.47Å; Y37-Q94 HydrophobicContact CD1-CG 4.48Å; Y37-Q94 HydrophobicContact CE1-CB 4.04Å; Y37-L97 HydrophobicContact CD1-CD1 4.31Å; Y37-L97 HydrophobicContact CD2-CD1 3.64Å; Y37-L97 HydrophobicContact CE1-CD1 4.04Å; Y37-L97 HydrophobicContact CE2-CD1 3.32Å; Y37-L97 HydrophobicContact CG-CD1 4.13Å
38I98.3Very high91.5Very high31 Ų3156.4 Ų56.416%0.15931%0.307CS..EExtended strand (participates in β ladder)trans-90.5109.5177.1-56.3175.7000107E26 A27 Q52E26-I38 PolarHBondContact N-O 2.85Å; A27-I38 HydrophobicContact CB-CB 4.47Å; A27-I38 HydrophobicContact CB-CD1 4.28Å; A27-I38 PolarHBondContact O-N 3.12Å; I38-Q52 HydrophobicContact CG2-CB 4.31Å; I38-Q52 HydrophobicContact CG2-CG 4.11Å
39I98.6Very high91.4Very high0 Ų057.5 Ų57.50%031%0.309CS..EExtended strand (participates in β ladder)trans-105.7116.3-175.8-47.5176.1000108.1A23 L24 I25 V41 Q52 V53 R55 F60 L101 F119A23-I39 HydrophobicContact CB-CG2 3.88Å; L24-I39 CarbonylContact O-C 3.46Å; L24-I39 WeakPolarHBondContact O-CA 3.32Å; I25-I39 HydrophobicContact CG1-CG1 4.27Å; I39-V41 HydrophobicContact CG2-CG2 4.19Å; I39-Q52 CarbonylContact O-C 3.55Å; I39-Q52 VanDerWaalsContact O-CA 3.31Å; I39-Q52 WeakPolarHBondContact O-CA 3.45Å; I39-V53 HydrophobicContact CB-CG2 3.84Å; I39-V53 HydrophobicContact CD1-CG2 4.31Å; I39-V53 HydrophobicContact CG1-CG2 4.47Å; I39-V53 HydrophobicContact CG2-CG2 4.43Å; I39-V53 PolarHBondContact N-O 3.39Å; I39-V53 PolarHBondContact O-N 2.7Å; I39-R55 HydrophobicContact CD1-CB 3.97Å; I39-R55 HydrophobicContact CD1-CG 3.82Å; I39-F60 HydrophobicContact CD1-CE2 4.32Å; I39-F60 HydrophobicContact CD1-CZ 3.69Å; I39-L101 HydrophobicContact CD1-CD1 4.19Å; I39-L101 HydrophobicContact CG2-CD1 4.02Å; I39-F119 HydrophobicContact CD1-CE1 4.03Å; I39-F119 HydrophobicContact CD1-CZ 4.42Å
40R98Very high91.5Very high98 Ų9855.7 Ų55.737%0.3731%0.305SS..EExtended strand (participates in β ladder)trans-79.1124.9166.4179.4169.9179.1-176.53.5109.7A23 L24 E26 W51A23-R40 CarbonylContact C-O 3.55Å; A23-R40 WeakPolarHBondContact CA-O 3.31Å; L24-R40 PolarHBondContact N-O 2.85Å; L24-R40 PolarHBondContact O-N 2.89Å; E26-R40 VanDerWaalsContact CD-CB 3.41Å; E26-R40 HydrophobicContact CG-CB 3.79Å; E26-R40 WeakPolarHBondContact OE1-CD 3.44Å; E26-R40 IonicContact OE1-NE 3.77Å; E26-R40 IonicContact OE1-NH1 2.77Å; E26-R40 PolarHBondContact OE1-NH1 3.26Å; R40-W51 WeakPolarHBondContact CA-O 3.23Å
41V98.1Very high91.9Very high0 Ų054.1 Ų54.10%029%0.292CS..EExtended strand (participates in β ladder)trans-111135.8177.1-1760000108.6L21 T22 I39 S50 W51 V53 L120L21-V41 HydrophobicContact CB-CG1 4.26Å; L21-V41 HydrophobicContact CD1-CG1 4.39Å; L21-V41 HydrophobicContact CD2-CG1 4.39Å; T22-V41 VanDerWaalsContact O-CA 3.29Å; T22-V41 WeakPolarHBondContact O-CA 3.26Å; I39-V41 HydrophobicContact CG2-CG2 4.19Å; V41-S50 CarbonylContact O-C 3.12Å; V41-S50 WeakPolarHBondContact O-CA 3.32Å; V41-S50 WeakPolarHBondContact O-CB 3.48Å; V41-W51 HydrophobicContact CB-CD2 4.34Å; V41-W51 HydrophobicContact CB-CZ2 3.89Å; V41-W51 HydrophobicContact CG1-CH2 3.96Å; V41-W51 HydrophobicContact CG1-CZ2 3.35Å; V41-W51 PolarHBondContact N-O 2.97Å; V41-W51 PolarHBondContact O-N 3.38Å; V41-V53 HydrophobicContact CG2-CG2 3.89Å; V41-L120 HydrophobicContact CG1-CB 4.06Å; V41-L120 HydrophobicContact CG2-CB 4.15Å; V41-L120 HydrophobicContact CG2-CD2 3.97Å
42Q96.1Very high92.4Very high43 Ų4356.4 Ų56.420%0.20130%0.301CS..EExtended strand (participates in β ladder)trans-127.7132.2175.3178.8178.32.500110.4L21 T22 S46L21-Q42 WeakPolarHBondContact CA-O 3.46Å; T22-Q42 PolarHBondContact N-O 2.87Å; T22-Q42 PolarHBondContact O-N 3.04Å; T22-Q42 PolarHBondContact OG1-O 3.42Å; Q42-S46 PolarHBondContact NE2-O 3.02Å
43R94.4Very high93.2Very high7 Ų747 Ų473%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-100.6119.3176.6-178.6-177.3-67-102.13.3110.9L15 D16 L19 P20 L21 N49 W51 D121 Y125L15-R43 VanDerWaalsContact CD1-NH1 3.31Å; D16-R43 PolarHBondContact O-NH1 3.2Å; D16-R43 VanDerWaalsContact O-NH1 3.14Å; L19-R43 HydrophobicContact CB-CG 3.79Å; L19-R43 HydrophobicContact CD1-CG 4.13Å; P20-R43 WeakPolarHBondContact O-CA 3.26Å; L21-R43 HydrophobicContact CD2-CB 3.56Å; L21-R43 HydrophobicContact CD2-CG 3.8Å; R43-N49 PolarHBondContact N-O 3.29Å; R43-W51 HydrophobicContact CB-CH2 3.89Å; R43-W51 HydrophobicContact CB-CZ3 3.9Å; R43-D121 IonicContact CZ-OD2 2.7Å; R43-D121 IonicContact NH2-OD2 3.86Å; R43-D121 PolarHBondContact NH2-OD2 3.44Å; R43-Y125 PolarHBondContact NH1-OH 3.4Å; R43-Y125 PolarHBondContact NH2-OH 3Å
44G92.1Very high93.8Very high18 Ų1846.2 Ų46.219%0.18625%0.245CC..THydrogen-bonded Turntrans63.6-152.7-176.900000112.2P20P20-G44 PolarHBondContact O-N 3.39Å
45V88.3Confident94.2Very high44 Ų4446.3 Ų46.327%0.26724%0.244SC..THydrogen-bonded Turntrans-99.7-8.6-172.2-67.60000115.1S47 L438 H441V45-S47 PolarHBondContact O-N 3.24Å; V45-L438 HydrophobicContact CB-CD2 4.29Å; V45-L438 HydrophobicContact CG1-CD2 3.47Å; V45-L438 VanDerWaalsContact CG1-CD2 3.47Å; V45-L438 HydrophobicContact CG2-CD2 3.83Å; V45-L438 HydrophobicContact CG2-CG 4.49Å; V45-H441 HydrophobicContact CB-CB 3.92Å; V45-H441 HydrophobicContact CG1-CB 4.29Å; V45-H441 HydrophobicContact CG2-CB 4.2Å; V45-H441 PolarHBondContact O-ND1 2.91Å
46S86.5Confident94.4Very high57 Ų5750.9 Ų50.940%0.39926%0.26SS..  trans-74.2126.9177.3-175.20000109.5Q42 D48 N49Q42-S46 PolarHBondContact NE2-O 3.02Å; S46-D48 PolarHBondContact O-N 3.4Å; S46-D48 PolarHBondContact OG-N 3.45Å; S46-N49 PolarHBondContact O-N 2.8Å
47S80.7Confident94.4Very high70 Ų7050.3 Ų50.349%0.4926%0.257SS..THydrogen-bonded Turntrans-62.4-31.5175.745.90000112.2V45 N49 S50V45-S47 PolarHBondContact O-N 3.24Å; S47-N49 PolarHBondContact O-N 3.23Å; S47-S50 PolarHBondContact O-OG 3.36Å
48D85.8Confident94.3Very high144 Ų14452.1 Ų52.177%0.7727%0.269SS*.THydrogen-bonded Turntrans-79.3-12.2-173.2-51.1-15.2000111.3S46 S50S46-D48 PolarHBondContact O-N 3.4Å; S46-D48 PolarHBondContact OG-N 3.45Å; D48-S50 VanDerWaalsContact C-N 3.31Å; D48-S50 PolarHBondContact O-N 3.26Å
49N91.9Very high94.3Very high64 Ų6452.7 Ų52.734%0.34227%0.272SS..SBendtrans-95.958.1173.5-161.6-3.2000110.7R43 S46 S47R43-N49 PolarHBondContact N-O 3.29Å; S46-N49 PolarHBondContact O-N 2.8Å; S47-N49 PolarHBondContact O-N 3.23Å
50S95.7Very high94.3Very high39 Ų3952.7 Ų52.727%0.27327%0.272SS..EExtended strand (participates in β ladder)trans-135.3152.1176.663.50000112.3V41 S47 D48V41-S50 CarbonylContact O-C 3.12Å; V41-S50 WeakPolarHBondContact O-CA 3.32Å; V41-S50 WeakPolarHBondContact O-CB 3.48Å; S47-S50 PolarHBondContact O-OG 3.36Å; D48-S50 VanDerWaalsContact C-N 3.31Å; D48-S50 PolarHBondContact O-N 3.26Å
51W97Very high94.3Very high60 Ų6049.9 Ų49.923%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-149.5172.3178.760.592.8000109.5L21 R40 V41 R43 L120 D121L21-W51 HydrophobicContact CD2-CH2 3.89Å; L21-W51 HydrophobicContact CD2-CZ2 4.39Å; R40-W51 WeakPolarHBondContact CA-O 3.23Å; V41-W51 HydrophobicContact CB-CD2 4.34Å; V41-W51 HydrophobicContact CB-CZ2 3.89Å; V41-W51 HydrophobicContact CG1-CH2 3.96Å; V41-W51 HydrophobicContact CG1-CZ2 3.35Å; V41-W51 PolarHBondContact N-O 2.97Å; V41-W51 PolarHBondContact O-N 3.38Å; R43-W51 HydrophobicContact CB-CH2 3.89Å; R43-W51 HydrophobicContact CB-CZ3 3.9Å; W51-L120 PolarHBondContact NE1-O 3.46Å; W51-D121 HydrophobicContact CH2-CB 4.47Å; W51-D121 HydrophobicContact CZ2-CB 3.65Å
52Q97.8Very high94.3Very high117 Ų11754.9 Ų54.955%0.54729%0.291SS..EExtended strand (participates in β ladder)trans-108.1142.7173.3-73.1178-22.700110.7E26 I38 I39E26-Q52 PolarHBondContact OE2-NE2 2.97Å; I38-Q52 HydrophobicContact CG2-CB 4.31Å; I38-Q52 HydrophobicContact CG2-CG 4.11Å; I39-Q52 CarbonylContact O-C 3.55Å; I39-Q52 VanDerWaalsContact O-CA 3.31Å; I39-Q52 WeakPolarHBondContact O-CA 3.45Å
53V98.2Very high94.4Very high9 Ų953.2 Ų53.26%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-123.2140165.5-60.70000109.3I39 V41 R55 L120I39-V53 HydrophobicContact CB-CG2 3.84Å; I39-V53 HydrophobicContact CD1-CG2 4.31Å; I39-V53 HydrophobicContact CG1-CG2 4.47Å; I39-V53 HydrophobicContact CG2-CG2 4.43Å; I39-V53 PolarHBondContact N-O 3.39Å; I39-V53 PolarHBondContact O-N 2.7Å; V41-V53 HydrophobicContact CG2-CG2 3.89Å; V53-R55 HydrophobicContact CG2-CG 4.45Å; V53-L120 VanDerWaalsContact CG1-O 3.3Å; V53-L120 WeakPolarHBondContact CG1-O 3.37Å
54I98.1Very high94.6Very high79 Ų7954 Ų5441%0.40529%0.287SS..EExtended strand (participates in β ladder)trans-102.1127.8178.3-57.3175.5000107.9E36 Y37E36-I54 HydrophobicContact CB-CG2 3.74Å; E36-I54 HydrophobicContact CG-CG2 4.14Å; Y37-I54 WeakPolarHBondContact O-CA 3.24Å
55R97.9Very high94.9Very high42 Ų4256.5 Ų56.516%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-138.4143-178.4-63.7-69177.9-103.43.4110.4Y37 I39 V53 D59 F60 F119Y37-R55 WeakPolarHBondContact CD2-O 3.4Å; Y37-R55 PolarHBondContact N-O 2.83Å; Y37-R55 PolarHBondContact O-N 2.7Å; I39-R55 HydrophobicContact CD1-CB 3.97Å; I39-R55 HydrophobicContact CD1-CG 3.82Å; V53-R55 HydrophobicContact CG2-CG 4.45Å; R55-D59 WeakPolarHBondContact CA-OD2 3.41Å; R55-D59 HydrophobicContact CB-CB 4.46Å; R55-F60 HydrophobicContact CB-CD2 4.39Å; R55-F60 HydrophobicContact CB-CE2 3.81Å; R55-F60 HydrophobicContact CB-CZ 4.49Å; R55-F119 HydrophobicContact CB-CE2 4.35Å; R55-F119 HydrophobicContact CB-CZ 3.9Å; R55-F119 HydrophobicContact CG-CE1 3.95Å; R55-F119 HydrophobicContact CG-CE2 3.86Å; R55-F119 HydrophobicContact CG-CZ 3.49Å; R55-F119 VanDerWaalsContact CG-CZ 3.49Å; R55-F119 VanDerWaalsContact CZ-O 3.29Å; R55-F119 PolarHBondContact NE-O 2.71Å; R55-F119 PolarHBondContact NH2-O 3.23Å
56R96.3Very high95.3Very high107 Ų10756.4 Ų56.440%0.40430%0.303SS..EExtended strand (participates in β ladder)trans-104.316617057.5175.7-174.4165.610.2110.6T35 S58 D59 F60T35-R56 WeakPolarHBondContact O-CB 3.3Å; R56-S58 WeakPolarHBondContact CD-OG 3.37Å; R56-S58 WeakPolarHBondContact CG-OG 3.33Å; R56-S58 PolarHBondContact NE-OG 3.21Å; R56-S58 PolarHBondContact O-N 3.44Å; R56-S58 VanDerWaalsContact O-N 3.15Å; R56-D59 VanDerWaalsContact CG-OD2 3.27Å; R56-D59 WeakPolarHBondContact CG-OD2 3.44Å; R56-D59 PolarHBondContact N-OD2 3.08Å; R56-D59 IonicContact NE-OD1 3.37Å; R56-D59 WeakPolarHBondContact O-CB 3.4Å; R56-D59 PolarHBondContact O-N 3.21Å; R56-F60 WeakPolarHBondContact O-CD2 3.38Å
57Y95.7Very high95.8Very high28 Ų2853.7 Ų53.711%0.1129%0.285CS..Hα-helixtrans-52.2-40.5-177.8178.3-86.1000113.5D59 F60 D61 P77 K79 R93 L97Y57-D59 PolarHBondContact O-N 3.15Å; Y57-F60 WeakPolarHBondContact O-CB 3.31Å; Y57-F60 PolarHBondContact O-N 3.45Å; Y57-F60 VanDerWaalsContact O-N 3.11Å; Y57-D61 HydrophobicContact CE1-CB 4.27Å; Y57-D61 PolarHBondContact O-N 2.94Å; Y57-P77 HydrophobicContact CE2-CG 4.3Å; Y57-P77 VanDerWaalsContact CE2-O 3.25Å; Y57-P77 WeakPolarHBondContact CE2-O 3.49Å; Y57-P77 PolarHBondContact OH-O 3.37Å; Y57-K79 HydrophobicContact CD1-CG 4.42Å; Y57-K79 HydrophobicContact CE1-CD 4.21Å; Y57-K79 HydrophobicContact CE1-CG 3.4Å; Y57-K79 WeakPolarHBondContact OH-CG 3.4Å; Y57-K79 PolarHBondContact OH-N 3.44Å; Y57-R93 HydrophobicContact CD2-CG 4.4Å; Y57-L97 HydrophobicContact CD2-CD2 4.31Å
58S95.9Very high96.5Very high38 Ų3855.8 Ų55.827%0.26629%0.288SS..Hα-helixtrans-62.7-27.6178.859.40000113.3R56 D61 I62R56-S58 WeakPolarHBondContact CD-OG 3.37Å; R56-S58 WeakPolarHBondContact CG-OG 3.33Å; R56-S58 PolarHBondContact NE-OG 3.21Å; R56-S58 PolarHBondContact O-N 3.44Å; R56-S58 VanDerWaalsContact O-N 3.15Å; S58-D61 WeakPolarHBondContact O-CB 3.26Å; S58-D61 PolarHBondContact O-N 3.03Å; S58-I62 VanDerWaalsContact O-CG1 3.29Å; S58-I62 WeakPolarHBondContact O-CG1 3.36Å; S58-I62 PolarHBondContact O-N 3.02Å
59D98Very high96.9Very high42 Ų4251.5 Ų51.523%0.22527%0.267CS..Hα-helixtrans-71.3-37177.3-50.3-27.5000110.2R55 R56 Y57 I62 L63 F119R55-D59 WeakPolarHBondContact CA-OD2 3.41Å; R55-D59 HydrophobicContact CB-CB 4.46Å; R56-D59 VanDerWaalsContact CG-OD2 3.27Å; R56-D59 WeakPolarHBondContact CG-OD2 3.44Å; R56-D59 PolarHBondContact N-OD2 3.08Å; R56-D59 IonicContact NE-OD1 3.37Å; R56-D59 WeakPolarHBondContact O-CB 3.4Å; R56-D59 PolarHBondContact O-N 3.21Å; Y57-D59 PolarHBondContact O-N 3.15Å; D59-I62 PolarHBondContact O-N 3.35Å; D59-L63 WeakPolarHBondContact O-CB 3.45Å; D59-L63 PolarHBondContact O-N 2.91Å; D59-F119 HydrophobicContact CB-CE2 3.93Å
60F98.4Very high97.1Very high0 Ų048.6 Ų48.60%025%0.251CS..Hα-helixtrans-64.8-39.8171.3-71.8-94.5000111.6Y37 I39 R55 R56 Y57 L63 N64 L76 L97 Y100 L101 F119Y37-F60 HydrophobicContact CD2-CE2 4.33Å; I39-F60 HydrophobicContact CD1-CE2 4.32Å; I39-F60 HydrophobicContact CD1-CZ 3.69Å; R55-F60 HydrophobicContact CB-CD2 4.39Å; R55-F60 HydrophobicContact CB-CE2 3.81Å; R55-F60 HydrophobicContact CB-CZ 4.49Å; R56-F60 WeakPolarHBondContact O-CD2 3.38Å; Y57-F60 WeakPolarHBondContact O-CB 3.31Å; Y57-F60 PolarHBondContact O-N 3.45Å; Y57-F60 VanDerWaalsContact O-N 3.11Å; F60-L63 PolarHBondContact O-N 3.27Å; F60-N64 WeakPolarHBondContact O-CB 3.29Å; F60-N64 PolarHBondContact O-N 3.09Å; F60-L76 HydrophobicContact CB-CD1 3.83Å; F60-L97 HydrophobicContact CB-CD2 4.05Å; F60-L97 HydrophobicContact CD1-CD2 3.78Å; F60-L97 HydrophobicContact CD2-CD1 4.2Å; F60-L97 HydrophobicContact CD2-CD2 3.99Å; F60-L97 HydrophobicContact CE1-CB 4.28Å; F60-L97 HydrophobicContact CE1-CD2 4.12Å; F60-L97 HydrophobicContact CE2-CD1 3.99Å; F60-L97 HydrophobicContact CE2-CD2 4.33Å; F60-L97 HydrophobicContact CG-CD2 3.69Å; F60-L97 HydrophobicContact CZ-CB 4.27Å; F60-L97 HydrophobicContact CZ-CD1 4.31Å; F60-L97 HydrophobicContact CZ-CD2 4.38Å; F60-Y100 AromaticContact CD1-CD1 3.8Å; F60-Y100 HydrophobicContact CD1-CD1 3.8Å; F60-Y100 HydrophobicContact CD1-CE1 4.02Å; F60-Y100 HydrophobicContact CE1-CD1 4.29Å; F60-L101 HydrophobicContact CE1-CD1 4.33Å; F60-L101 HydrophobicContact CE1-CD2 3.79Å; F60-L101 HydrophobicContact CE1-CG 3.91Å; F60-L101 HydrophobicContact CZ-CD1 4.47Å; F60-L101 HydrophobicContact CZ-CD2 4.49Å; F60-F119 HydrophobicContact CD1-CE1 4.36Å; F60-F119 AromaticContact CD1-CZ 3.79Å; F60-F119 HydrophobicContact CD1-CZ 3.79Å; F60-F119 AromaticContact CD2-CZ 3.99Å; F60-F119 HydrophobicContact CD2-CZ 3.99Å; F60-F119 HydrophobicContact CE1-CE1 4.01Å; F60-F119 AromaticContact CE1-CZ 3.74Å; F60-F119 HydrophobicContact CE1-CZ 3.74Å; F60-F119 AromaticContact CE2-CZ 3.93Å; F60-F119 HydrophobicContact CE2-CZ 3.93Å; F60-F119 HydrophobicContact CG-CE2 4.46Å; F60-F119 AromaticContact CG-CZ 3.92Å; F60-F119 HydrophobicContact CG-CZ 3.92Å; F60-F119 HydrophobicContact CZ-CE1 4.21Å; F60-F119 AromaticContact CZ-CZ 3.82Å; F60-F119 HydrophobicContact CZ-CZ 3.82Å
61D97.6Very high97Very high39 Ų3949 Ų4921%0.20926%0.262CS..Hα-helixtrans-62.6-41.8176.2-170.564.6000112.1Y57 S58 N64 S65 K79Y57-D61 HydrophobicContact CE1-CB 4.27Å; Y57-D61 PolarHBondContact O-N 2.94Å; S58-D61 WeakPolarHBondContact O-CB 3.26Å; S58-D61 PolarHBondContact O-N 3.03Å; D61-N64 PolarHBondContact O-N 3.35Å; D61-S65 WeakPolarHBondContact O-CB 3.38Å; D61-S65 PolarHBondContact O-N 3.28Å; D61-S65 PolarHBondContact O-OG 2.87Å; D61-K79 VanDerWaalsContact CG-CE 3.43Å; D61-K79 VanDerWaalsContact CG-NZ 3.3Å; D61-K79 VanDerWaalsContact OD1-CE 3.29Å; D61-K79 WeakPolarHBondContact OD1-CE 3.18Å; D61-K79 IonicContact OD1-NZ 2.84Å; D61-K79 PolarHBondContact OD1-NZ 3.46Å; D61-K79 VanDerWaalsContact OD2-CE 3.31Å; D61-K79 WeakPolarHBondContact OD2-CE 3.31Å; D61-K79 IonicContact OD2-NZ 3.22Å; D61-K79 PolarHBondContact OD2-NZ 2.91Å
62I98.1Very high96.8Very high106 Ų10648 Ų4854%0.54426%0.261SS..Hα-helixtrans-64.6-44.7173.7-68.7164.5000111.1S58 D59 S65 S66S58-I62 VanDerWaalsContact O-CG1 3.29Å; S58-I62 WeakPolarHBondContact O-CG1 3.36Å; S58-I62 PolarHBondContact O-N 3.02Å; D59-I62 PolarHBondContact O-N 3.35Å; I62-S65 PolarHBondContact O-N 2.79Å; I62-S66 PolarHBondContact O-N 2.88Å; I62-S66 PolarHBondContact O-OG 2.69Å
63L98.4Very high96.6Very high7 Ų748.2 Ų48.24%0.03728%0.275CS..Hα-helixtrans-60-48.6175.917361.6000110.9D59 F60 S65 S66 L67 Y100 I104 F115 V116 F119D59-L63 WeakPolarHBondContact O-CB 3.45Å; D59-L63 PolarHBondContact O-N 2.91Å; F60-L63 PolarHBondContact O-N 3.27Å; L63-S65 VanDerWaalsContact C-N 3.35Å; L63-S65 PolarHBondContact O-N 3.06Å; L63-S66 WeakPolarHBondContact O-CB 3.46Å; L63-S66 PolarHBondContact O-N 3.07Å; L63-S66 VanDerWaalsContact O-N 3.13Å; L63-L67 HydrophobicContact CD1-CD1 3.93Å; L63-L67 HydrophobicContact CD1-CG 4.13Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 WeakPolarHBondContact O-CG 3.44Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-Y100 HydrophobicContact CD2-CE1 3.98Å; L63-I104 HydrophobicContact CD2-CD1 3.75Å; L63-F115 HydrophobicContact CD1-CB 3.78Å; L63-V116 HydrophobicContact CD1-CG2 4.39Å; L63-F119 HydrophobicContact CB-CD2 4.04Å; L63-F119 HydrophobicContact CB-CE2 4.35Å; L63-F119 HydrophobicContact CD1-CB 4.33Å; L63-F119 HydrophobicContact CD2-CB 3.96Å; L63-F119 HydrophobicContact CD2-CD1 3.85Å; L63-F119 HydrophobicContact CD2-CD2 3.77Å; L63-F119 HydrophobicContact CD2-CE1 4.25Å; L63-F119 HydrophobicContact CD2-CE2 4.16Å; L63-F119 HydrophobicContact CD2-CG 3.59Å; L63-F119 HydrophobicContact CD2-CZ 4.38Å; L63-F119 HydrophobicContact CG-CD2 4.41Å
64N98Very high96.5Very high23 Ų2348.6 Ų48.612%0.12328%0.277CS..Hα-helixtrans-59.9-45.8179.3-176.170.5000111.3F60 D61 S66 L67 M68 L76 Y100F60-N64 WeakPolarHBondContact O-CB 3.29Å; F60-N64 PolarHBondContact O-N 3.09Å; D61-N64 PolarHBondContact O-N 3.35Å; N64-S66 VanDerWaalsContact C-N 3.25Å; N64-S66 PolarHBondContact O-N 2.94Å; N64-L67 CarbonylContact O-C 3.56Å; N64-L67 PolarHBondContact O-N 3.44Å; N64-M68 WeakPolarHBondContact O-CG 3.33Å; N64-M68 PolarHBondContact O-N 2.82Å; N64-L76 HydrophobicContact CB-CD1 4.49Å; N64-L76 HydrophobicContact CB-CD2 3.84Å; N64-Y100 WeakPolarHBondContact CA-OH 3.45Å; N64-Y100 HydrophobicContact CB-CE2 4.14Å; N64-Y100 WeakPolarHBondContact CB-OH 3.33Å; N64-Y100 PolarHBondContact N-OH 3.23Å; N64-Y100 WeakPolarHBondContact OD1-CE2 3.46Å
65S97.8Very high96.4Very high71 Ų7148 Ų4850%0.49728%0.278SS..Hα-helixtrans-56.6-40.6175-60.30000112D61 I62 L63 L67 M68D61-S65 WeakPolarHBondContact O-CB 3.38Å; D61-S65 PolarHBondContact O-N 3.28Å; D61-S65 PolarHBondContact O-OG 2.87Å; I62-S65 PolarHBondContact O-N 2.79Å; L63-S65 VanDerWaalsContact C-N 3.35Å; L63-S65 PolarHBondContact O-N 3.06Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact O-N 2.88Å; S65-M68 WeakPolarHBondContact O-CB 3.36Å; S65-M68 PolarHBondContact O-N 3.46Å
66S97.3Very high96.3Very high42 Ų4247.6 Ų47.629%0.29428%0.279SS..Hα-helixtrans-67.9-32176.4-55.40000112.8I62 L63 N64 V69I62-S66 PolarHBondContact O-N 2.88Å; I62-S66 PolarHBondContact O-OG 2.69Å; L63-S66 WeakPolarHBondContact O-CB 3.46Å; L63-S66 PolarHBondContact O-N 3.07Å; L63-S66 VanDerWaalsContact O-N 3.13Å; N64-S66 VanDerWaalsContact C-N 3.25Å; N64-S66 PolarHBondContact O-N 2.94Å; S66-V69 WeakPolarHBondContact O-CG1 3.34Å
67L97.4Very high96.3Very high1 Ų143.3 Ų43.31%0.00527%0.265CS..Hα-helixtrans-83.7-9.5179-68.1176.4000114L63 N64 S65 V69 C70 L74 I104 I110 F115 V116L63-L67 HydrophobicContact CD1-CD1 3.93Å; L63-L67 HydrophobicContact CD1-CG 4.13Å; L63-L67 HydrophobicContact CG-CD1 4.04Å; L63-L67 WeakPolarHBondContact O-CG 3.44Å; L63-L67 PolarHBondContact O-N 3.45Å; N64-L67 CarbonylContact O-C 3.56Å; N64-L67 PolarHBondContact O-N 3.44Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-L67 PolarHBondContact O-N 2.88Å; L67-V69 PolarHBondContact O-N 3.27Å; L67-C70 WeakPolarHBondContact O-CB 3.22Å; L67-C70 PolarHBondContact O-N 3.41Å; L67-C70 PolarHBondContact O-SG 2.98Å; L67-C70 VanDerWaalsContact O-SG 3.34Å; L67-L74 HydrophobicContact CB-CD1 3.77Å; L67-L74 HydrophobicContact CD1-CD1 3.7Å; L67-L74 HydrophobicContact CG-CD1 4.4Å; L67-I104 HydrophobicContact CD1-CG2 3.9Å; L67-I110 HydrophobicContact CD1-CG2 3.95Å; L67-I110 HydrophobicContact CD2-CG2 3.96Å; L67-F115 HydrophobicContact CD2-CB 4.18Å; L67-F115 HydrophobicContact CD2-CD2 4.08Å; L67-V116 HydrophobicContact CD1-CG2 4.1Å; L67-V116 HydrophobicContact CD2-CG2 4.35Å
68M95.4Very high96Very high114 Ų11446.9 Ų46.956%0.56229%0.292SS*.G310 helixtrans-56.2-24.9175.7-69.7-56.3-62.900113.1N64 S65 C70 G71N64-M68 WeakPolarHBondContact O-CG 3.33Å; N64-M68 PolarHBondContact O-N 2.82Å; S65-M68 WeakPolarHBondContact O-CB 3.36Å; S65-M68 PolarHBondContact O-N 3.46Å; M68-C70 PolarHBondContact O-N 3.07Å; M68-C70 VanDerWaalsContact O-N 3.16Å; M68-G71 PolarHBondContact O-N 2.67Å
69V94.8Very high95.8Very high54 Ų5451.1 Ų51.133%0.32731%0.305SS..G310 helixtrans-57.5-25.5173.871.10000113.3S66 L67 G71 L249 K250S66-V69 WeakPolarHBondContact O-CG1 3.34Å; L67-V69 PolarHBondContact O-N 3.27Å; V69-G71 PolarHBondContact O-N 3.41Å; V69-L249 HydrophobicContact CG1-CB 4.12Å; V69-L249 HydrophobicContact CG1-CD1 4.29Å; V69-K250 HydrophobicContact CG2-CB 3.83Å; V69-K250 HydrophobicContact CG2-CG 4.26Å; V69-K250 WeakPolarHBondContact O-CA 3.19Å
70C94.8Very high95.2Very high2 Ų252.5 Ų52.51%0.01431%0.309CS..G310 helixtrans-69.7-19.7178-61.70000113L67 M68 I72 I110 C253 N254L67-C70 WeakPolarHBondContact O-CB 3.22Å; L67-C70 PolarHBondContact O-N 3.41Å; L67-C70 PolarHBondContact O-SG 2.98Å; L67-C70 VanDerWaalsContact O-SG 3.34Å; M68-C70 PolarHBondContact O-N 3.07Å; M68-C70 VanDerWaalsContact O-N 3.16Å; C70-I72 HydrophobicContact CB-CG1 4.42Å; C70-I72 PolarHBondContact O-N 2.93Å; C70-I110 HydrophobicContact CB-CD1 4.41Å; C70-C253 HydrophobicContact CB-CB 3.61Å; C70-C253 WeakPolarHBondContact O-CB 3.37Å; C70-C253 VanDerWaalsContact SG-SG 3.63Å; C70-N254 WeakPolarHBondContact O-CB 3.49Å; C70-N254 PolarHBondContact O-N 3.38Å
71G94Very high94Very high49 Ų4960.4 Ų60.451%0.50535%0.351SS..  trans66.420.1-175.300000114M68 V69 N254M68-G71 PolarHBondContact O-N 2.67Å; V69-G71 PolarHBondContact O-N 3.41Å; G71-N254 PolarHBondContact O-ND2 3.4Å
72I92.8Very high92.8Very high38 Ų3865.6 Ų65.620%0.19538%0.377CS..  trans-105.1134.6177.3-63.5174.4000108.4C70 L74 H107 I110 C253 N254C70-I72 HydrophobicContact CB-CG1 4.42Å; C70-I72 PolarHBondContact O-N 2.93Å; I72-L74 HydrophobicContact CG2-CD2 4.13Å; I72-L74 PolarHBondContact O-N 2.98Å; I72-H107 WeakPolarHBondContact CD1-NE2 3.33Å; I72-I110 HydrophobicContact CD1-CD1 4.05Å; I72-C253 HydrophobicContact CD1-CB 3.86Å; I72-C253 HydrophobicContact CG1-CB 4.45Å; I72-N254 HydrophobicContact CG1-CB 3.92Å
73S93.1Very high91.7Very high122 Ų12261.6 Ų61.685%0.85336%0.362SS*.  trans-76.4108.5171.8-173.50000109.7
74L95.7Very high90.6Very high16 Ų1664.2 Ų64.28%0.08438%0.376CS..  trans-92.1143.9177.4-62.7174000110.7L67 I72 L76 Y100 I104 I110L67-L74 HydrophobicContact CB-CD1 3.77Å; L67-L74 HydrophobicContact CD1-CD1 3.7Å; L67-L74 HydrophobicContact CG-CD1 4.4Å; I72-L74 HydrophobicContact CG2-CD2 4.13Å; I72-L74 PolarHBondContact O-N 2.98Å; L74-L76 PolarHBondContact O-N 2.96Å; L74-Y100 HydrophobicContact CB-CD2 4.13Å; L74-Y100 HydrophobicContact CB-CE2 3.68Å; L74-Y100 HydrophobicContact CD1-CE2 4.04Å; L74-Y100 HydrophobicContact CG-CE2 4.48Å; L74-I104 HydrophobicContact CD1-CG2 3.9Å; L74-I104 HydrophobicContact CD2-CG2 4.06Å; L74-I110 HydrophobicContact CD2-CD1 4.22Å
75P95.9Very high89.7Confident67 Ų6766.1 Ų66.144%0.43539%0.385SS..  trans-82.258.8-172.634.9-36.8000112.1
76L97.1Very high89Confident33 Ų3366.2 Ų66.217%0.17338%0.38CS..PPolyproline II helixtrans-72.9124.1175.7-173.875.5000109.5F60 N64 L74 L97 Y100F60-L76 HydrophobicContact CB-CD1 3.83Å; N64-L76 HydrophobicContact CB-CD1 4.49Å; N64-L76 HydrophobicContact CB-CD2 3.84Å; L74-L76 PolarHBondContact O-N 2.96Å; L76-L97 HydrophobicContact CD1-CD2 4.25Å; L76-Y100 HydrophobicContact CB-CD2 3.93Å; L76-Y100 HydrophobicContact CB-CE2 4.06Å; L76-Y100 HydrophobicContact CD1-CD2 4.03Å; L76-Y100 HydrophobicContact CD1-CE2 4.1Å; L76-Y100 HydrophobicContact CD1-CG 4.28Å
77P95.6Very high88.5Confident17 Ų1774.1 Ų74.111%0.1140%0.403CS..PPolyproline II helixtrans-63.8148.4177.824.3-31.9000111.3Y57 R93 L97Y57-P77 HydrophobicContact CE2-CG 4.3Å; Y57-P77 VanDerWaalsContact CE2-O 3.25Å; Y57-P77 WeakPolarHBondContact CE2-O 3.49Å; Y57-P77 PolarHBondContact OH-O 3.37Å; P77-R93 HydrophobicContact CG-CG 4.35Å; P77-L97 HydrophobicContact CG-CD2 3.66Å; P77-L97 HydrophobicContact CG-CG 3.88Å
78P90.8Very high88Confident103 Ų10380.9 Ų80.967%0.66944%0.435SS*.PPolyproline II helixtrans-68156.3-173.426.7-34.6000113.8R93P78-R93 PolarHBondContact O-NH2 3.11Å
79K90.1Very high87.7Confident127 Ų12776.7 Ų76.755%0.55241%0.413SS*.PPolyproline II helixtrans-67.3142.4167.4-71.9177.6-177.3172.80109.1Y57 D61Y57-K79 HydrophobicContact CD1-CG 4.42Å; Y57-K79 HydrophobicContact CE1-CD 4.21Å; Y57-K79 HydrophobicContact CE1-CG 3.4Å; Y57-K79 WeakPolarHBondContact OH-CG 3.4Å; Y57-K79 PolarHBondContact OH-N 3.44Å; D61-K79 VanDerWaalsContact CG-CE 3.43Å; D61-K79 VanDerWaalsContact CG-NZ 3.3Å; D61-K79 VanDerWaalsContact OD1-CE 3.29Å; D61-K79 WeakPolarHBondContact OD1-CE 3.18Å; D61-K79 IonicContact OD1-NZ 2.84Å; D61-K79 PolarHBondContact OD1-NZ 3.46Å; D61-K79 VanDerWaalsContact OD2-CE 3.31Å; D61-K79 WeakPolarHBondContact OD2-CE 3.31Å; D61-K79 IonicContact OD2-NZ 3.22Å; D61-K79 PolarHBondContact OD2-NZ 2.91Å
80K85.3Confident87.3Confident72 Ų7274.4 Ų74.431%0.31340%0.399SS..  trans-128.3124.5173.2-168.5-174.8-177.8-159.30106.7I82 G83 N84 D86 F89K80-I82 WeakPolarHBondContact CD-O 3.47Å; K80-I82 WeakPolarHBondContact CE-O 3.03Å; K80-I82 VanDerWaalsContact CG-O 3.28Å; K80-I82 WeakPolarHBondContact CG-O 3.27Å; K80-G83 PolarHBondContact NZ-O 2.9Å; K80-N84 WeakPolarHBondContact O-CB 3.41Å; K80-D86 IonicContact NZ-OD2 2.99Å; K80-D86 PolarHBondContact NZ-OD2 3.15Å; K80-F89 HydrophobicContact CB-CE1 3.6Å; K80-F89 HydrophobicContact CB-CE2 3.9Å; K80-F89 HydrophobicContact CB-CZ 3.24Å; K80-F89 HydrophobicContact CD-CD1 3.69Å; K80-F89 HydrophobicContact CD-CD2 3.51Å; K80-F89 HydrophobicContact CD-CE1 3.62Å; K80-F89 HydrophobicContact CD-CE2 3.48Å; K80-F89 VanDerWaalsContact CD-CE2 3.48Å; K80-F89 HydrophobicContact CD-CG 3.61Å; K80-F89 HydrophobicContact CD-CZ 3.52Å; K80-F89 HydrophobicContact CG-CE1 4.21Å; K80-F89 HydrophobicContact CG-CE2 4.25Å; K80-F89 HydrophobicContact CG-CZ 3.98Å
81L74.4Confident87.1Confident165 Ų16576.6 Ų76.686%0.86442%0.418SS*.SBendtrans-91.6-26.8-173.6-66.1172.7000112.9
82I72.6Confident87Confident149 Ų14979.7 Ų79.776%0.76442%0.419SS*.SBendtrans-124135.6-179.1-58.5173000108.2K80 N84K80-I82 WeakPolarHBondContact CD-O 3.47Å; K80-I82 WeakPolarHBondContact CE-O 3.03Å; K80-I82 VanDerWaalsContact CG-O 3.28Å; K80-I82 WeakPolarHBondContact CG-O 3.27Å; I82-N84 VanDerWaalsContact C-N 3.31Å; I82-N84 PolarHBondContact O-N 3.44Å
83G74.3Confident87.1Confident22 Ų2278.8 Ų78.823%0.22741%0.413CS..SBendtrans66.831.8-178.100000113.1K80 M85 D86K80-G83 PolarHBondContact NZ-O 2.9Å; G83-M85 PolarHBondContact O-N 3.43Å; G83-D86 WeakPolarHBondContact CA-OD1 3.39Å; G83-D86 VanDerWaalsContact CA-OD2 3.26Å; G83-D86 WeakPolarHBondContact CA-OD2 3.49Å; G83-D86 PolarHBondContact O-N 2.8Å
84N74.8Confident87.3Confident62 Ų6275.3 Ų75.333%0.33238%0.383SS..THydrogen-bonded Turntrans-73.8-11.6178.263.4-21.3000113.3K80 I82 F89K80-N84 WeakPolarHBondContact O-CB 3.41Å; I82-N84 VanDerWaalsContact C-N 3.31Å; I82-N84 PolarHBondContact O-N 3.44Å; N84-F89 HydrophobicContact CB-CE1 4.34Å
85M78.8Confident87.3Confident62 Ų6283 Ų8331%0.30541%0.412SS..THydrogen-bonded Turntrans-103.11.9176.1-60.7-61.2-152.300113.1L31 H34 T35 G83 R87 I90L31-M85 WeakPolarHBondContact O-CE 3.2Å; H34-M85 VanDerWaalsContact CA-CE 3.43Å; H34-M85 VanDerWaalsContact N-CE 3.27Å; T35-M85 PolarHBondContact OG1-SD 2.96Å; G83-M85 PolarHBondContact O-N 3.43Å; M85-R87 PolarHBondContact O-N 3.4Å; M85-I90 VanDerWaalsContact O-CD1 3.31Å; M85-I90 WeakPolarHBondContact O-CD1 3.16Å
86D84.6Confident87.4Confident74 Ų7480.8 Ų80.840%0.39640%0.401SS..  trans-62.3135.4177.5-54.3-21.1000109.5K80 G83 E88 F89 I90K80-D86 IonicContact NZ-OD2 2.99Å; K80-D86 PolarHBondContact NZ-OD2 3.15Å; G83-D86 WeakPolarHBondContact CA-OD1 3.39Å; G83-D86 VanDerWaalsContact CA-OD2 3.26Å; G83-D86 WeakPolarHBondContact CA-OD2 3.49Å; G83-D86 PolarHBondContact O-N 2.8Å; D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.43Å; D86-F89 HydrophobicContact CB-CB 4.01Å; D86-F89 WeakPolarHBondContact O-CB 3.42Å; D86-F89 PolarHBondContact O-N 3.43Å; D86-F89 VanDerWaalsContact O-N 3.12Å; D86-I90 WeakPolarHBondContact O-CG1 3.44Å; D86-I90 PolarHBondContact O-N 3.15Å
87R85.3Confident87.5Confident208 Ų20879.2 Ų79.279%0.78539%0.392SS*.Hα-helixtrans-60.5-42.8-173.7-173.7-177.9-179.9-170.50.3112.2M85 F89 I90 A91M85-R87 PolarHBondContact O-N 3.4Å; R87-F89 VanDerWaalsContact C-N 3.31Å; R87-F89 PolarHBondContact O-N 3.41Å; R87-I90 PolarHBondContact O-N 3.36Å; R87-A91 WeakPolarHBondContact O-CB 3.23Å; R87-A91 PolarHBondContact O-N 2.66Å
88E87.6Confident87.6Confident143 Ų14379.9 Ų79.967%0.66839%0.394SS*.Hα-helixtrans-62.7-42.1178.3-65.867.8-146.500110.5D86 A91 E92D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.43Å; E88-A91 PolarHBondContact O-N 2.68Å; E88-E92 WeakPolarHBondContact O-CB 3.44Å; E88-E92 PolarHBondContact O-N 3.17Å
89F88.6Confident88Confident25 Ų2577.2 Ų77.211%0.1138%0.381CS..Hα-helixtrans-69.1-40.3178.9179.8-110.5000112.4K80 N84 D86 R87 A91 E92 R93K80-F89 HydrophobicContact CB-CE1 3.6Å; K80-F89 HydrophobicContact CB-CE2 3.9Å; K80-F89 HydrophobicContact CB-CZ 3.24Å; K80-F89 HydrophobicContact CD-CD1 3.69Å; K80-F89 HydrophobicContact CD-CD2 3.51Å; K80-F89 HydrophobicContact CD-CE1 3.62Å; K80-F89 HydrophobicContact CD-CE2 3.48Å; K80-F89 VanDerWaalsContact CD-CE2 3.48Å; K80-F89 HydrophobicContact CD-CG 3.61Å; K80-F89 HydrophobicContact CD-CZ 3.52Å; K80-F89 HydrophobicContact CG-CE1 4.21Å; K80-F89 HydrophobicContact CG-CE2 4.25Å; K80-F89 HydrophobicContact CG-CZ 3.98Å; N84-F89 HydrophobicContact CB-CE1 4.34Å; D86-F89 HydrophobicContact CB-CB 4.01Å; D86-F89 WeakPolarHBondContact O-CB 3.42Å; D86-F89 PolarHBondContact O-N 3.43Å; D86-F89 VanDerWaalsContact O-N 3.12Å; R87-F89 VanDerWaalsContact C-N 3.31Å; R87-F89 PolarHBondContact O-N 3.41Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 2.92Å; F89-E92 PolarHBondContact O-N 2.88Å; F89-R93 VanDerWaalsContact O-CB 3.26Å; F89-R93 WeakPolarHBondContact O-CB 3.16Å; F89-R93 PolarHBondContact O-N 3.34Å
90I87.6Confident88.4Confident6 Ų671.2 Ų71.23%0.03135%0.354CS..Hα-helixtrans-61.1-43.7174.5-69162.3000110.2N30 T35 M85 D86 R87 R93 Q94N30-I90 WeakPolarHBondContact ND2-CD1 3.37Å; N30-I90 WeakPolarHBondContact OD1-CD1 3.27Å; T35-I90 HydrophobicContact CG2-CG1 4.46Å; T35-I90 HydrophobicContact CG2-CG2 4.05Å; M85-I90 VanDerWaalsContact O-CD1 3.31Å; M85-I90 WeakPolarHBondContact O-CD1 3.16Å; D86-I90 WeakPolarHBondContact O-CG1 3.44Å; D86-I90 PolarHBondContact O-N 3.15Å; R87-I90 PolarHBondContact O-N 3.36Å; I90-R93 PolarHBondContact O-N 3.36Å; I90-Q94 VanDerWaalsContact O-CB 3.3Å; I90-Q94 WeakPolarHBondContact O-CB 3.42Å; I90-Q94 PolarHBondContact O-N 3.17Å
91A90.2Very high89Confident49 Ų4967.8 Ų67.841%0.40534%0.34SS..Hα-helixtrans-65.3-39.9177.800000112.6R87 E88 F89 R95R87-A91 WeakPolarHBondContact O-CB 3.23Å; R87-A91 PolarHBondContact O-N 2.66Å; E88-A91 PolarHBondContact O-N 2.68Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 2.92Å; A91-R95 PolarHBondContact O-N 2.6Å
92E92.8Very high90.1Very high114 Ų11462.7 Ų62.753%0.53331%0.313SS..Hα-helixtrans-62.9-49.3172.1-174.8-176.4-179.800111.7E88 F89 Q94 R95 G96E88-E92 WeakPolarHBondContact O-CB 3.44Å; E88-E92 PolarHBondContact O-N 3.17Å; F89-E92 PolarHBondContact O-N 2.88Å; E92-Q94 VanDerWaalsContact C-N 3.33Å; E92-Q94 PolarHBondContact O-N 3.1Å; E92-R95 WeakPolarHBondContact O-CB 3.12Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-G96 PolarHBondContact O-N 3.43Å
93R94.7Very high91.3Very high18 Ų1857.5 Ų57.57%0.06829%0.29CS..Hα-helixtrans-61.8-40.2178.2179.1175.1-82173.1-7.3111.7Y37 Y57 P77 P78 F89 I90 R95 G96 L97Y37-R93 WeakPolarHBondContact OH-CD 3.49Å; Y37-R93 WeakPolarHBondContact OH-CG 3.41Å; Y57-R93 HydrophobicContact CD2-CG 4.4Å; P77-R93 HydrophobicContact CG-CG 4.35Å; P78-R93 PolarHBondContact O-NH2 3.11Å; F89-R93 VanDerWaalsContact O-CB 3.26Å; F89-R93 WeakPolarHBondContact O-CB 3.16Å; F89-R93 PolarHBondContact O-N 3.34Å; I90-R93 PolarHBondContact O-N 3.36Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3.27Å; R93-G96 PolarHBondContact O-N 3.34Å; R93-L97 HydrophobicContact CG-CD1 3.96Å; R93-L97 HydrophobicContact CG-CG 4.13Å; R93-L97 WeakPolarHBondContact O-CB 3.41Å; R93-L97 VanDerWaalsContact O-CG 3.31Å; R93-L97 WeakPolarHBondContact O-CG 3.21Å; R93-L97 PolarHBondContact O-N 2.93Å
94Q95.9Very high92.4Very high49 Ų4956.5 Ų56.523%0.22928%0.28CS..Hα-helixtrans-57.6-45.1175.5179.9173.1-22.300111.1I25 Y37 I90 E92 L97 Q98I25-Q94 HydrophobicContact CB-CG 4.31Å; I25-Q94 HydrophobicContact CD1-CG 4.46Å; I25-Q94 HydrophobicContact CG2-CG 3.8Å; Y37-Q94 HydrophobicContact CD1-CB 4.47Å; Y37-Q94 HydrophobicContact CD1-CG 4.48Å; Y37-Q94 HydrophobicContact CE1-CB 4.04Å; I90-Q94 VanDerWaalsContact O-CB 3.3Å; I90-Q94 WeakPolarHBondContact O-CB 3.42Å; I90-Q94 PolarHBondContact O-N 3.17Å; E92-Q94 VanDerWaalsContact C-N 3.33Å; E92-Q94 PolarHBondContact O-N 3.1Å; Q94-L97 PolarHBondContact O-N 2.96Å; Q94-Q98 PolarHBondContact O-N 3.33Å
95R96.6Very high93.5Very high179 Ų17954.7 Ų54.768%0.67527%0.271SS*.Hα-helixtrans-62.1-43.8174.7-70.8-177.6-69.9162.6-0112A91 E92 R93 Q98 A99A91-R95 PolarHBondContact O-N 2.6Å; E92-R95 WeakPolarHBondContact O-CB 3.12Å; E92-R95 PolarHBondContact O-N 2.82Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3.27Å; R95-Q98 PolarHBondContact O-N 3.3Å; R95-A99 PolarHBondContact O-N 2.96Å
96G97.9Very high94.2Very high20 Ų2058.5 Ų58.521%0.20629%0.288CS..Hα-helixtrans-62.2-41.5176.300000113.2E92 R93 A99 Y100E92-G96 PolarHBondContact O-N 3.43Å; R93-G96 PolarHBondContact O-N 3.34Å; G96-A99 PolarHBondContact O-N 3.44Å; G96-Y100 PolarHBondContact O-N 3.12Å
97L98.4Very high94.7Very high0 Ų057.3 Ų57.30%028%0.28CS..Hα-helixtrans-68.6-34.7176.4-68.6176.6000112I25 Y37 Y57 F60 L76 P77 R93 Q94 Y100 L101I25-L97 HydrophobicContact CD1-CB 3.64Å; Y37-L97 HydrophobicContact CD1-CD1 4.31Å; Y37-L97 HydrophobicContact CD2-CD1 3.64Å; Y37-L97 HydrophobicContact CE1-CD1 4.04Å; Y37-L97 HydrophobicContact CE2-CD1 3.32Å; Y37-L97 HydrophobicContact CG-CD1 4.13Å; Y57-L97 HydrophobicContact CD2-CD2 4.31Å; F60-L97 HydrophobicContact CB-CD2 4.05Å; F60-L97 HydrophobicContact CD1-CD2 3.78Å; F60-L97 HydrophobicContact CD2-CD1 4.2Å; F60-L97 HydrophobicContact CD2-CD2 3.99Å; F60-L97 HydrophobicContact CE1-CB 4.28Å; F60-L97 HydrophobicContact CE1-CD2 4.12Å; F60-L97 HydrophobicContact CE2-CD1 3.99Å; F60-L97 HydrophobicContact CE2-CD2 4.33Å; F60-L97 HydrophobicContact CG-CD2 3.69Å; F60-L97 HydrophobicContact CZ-CB 4.27Å; F60-L97 HydrophobicContact CZ-CD1 4.31Å; F60-L97 HydrophobicContact CZ-CD2 4.38Å; L76-L97 HydrophobicContact CD1-CD2 4.25Å; P77-L97 HydrophobicContact CG-CD2 3.66Å; P77-L97 HydrophobicContact CG-CG 3.88Å; R93-L97 HydrophobicContact CG-CD1 3.96Å; R93-L97 HydrophobicContact CG-CG 4.13Å; R93-L97 WeakPolarHBondContact O-CB 3.41Å; R93-L97 VanDerWaalsContact O-CG 3.31Å; R93-L97 WeakPolarHBondContact O-CG 3.21Å; R93-L97 PolarHBondContact O-N 2.93Å; Q94-L97 PolarHBondContact O-N 2.96Å; L97-Y100 WeakPolarHBondContact O-CB 3.44Å; L97-Y100 PolarHBondContact O-N 3.39Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.59Å
98Q98.5Very high95Very high31 Ų3152 Ų5215%0.14527%0.273CS..Hα-helixtrans-63.2-46.5172.1-175.360.853.500111A23 I25 Q94 R95 Y100 L101 D102A23-Q98 PolarHBondContact O-NE2 2.93Å; I25-Q98 HydrophobicContact CD1-CB 4.32Å; Q94-Q98 PolarHBondContact O-N 3.33Å; R95-Q98 PolarHBondContact O-N 3.3Å; Q98-Y100 PolarHBondContact O-N 3.5Å; Q98-L101 WeakPolarHBondContact O-CB 3.45Å; Q98-L101 PolarHBondContact O-N 3.25Å; Q98-L101 VanDerWaalsContact O-N 3.09Å; Q98-D102 PolarHBondContact NE2-OD1 2.81Å; Q98-D102 PolarHBondContact O-N 2.84Å
99A98.4Very high95.3Very high47 Ų4746.4 Ų46.439%0.38825%0.247SC..Hα-helixtrans-60.1-36175.900000112.4R95 G96 S103R95-A99 PolarHBondContact O-N 2.96Å; G96-A99 PolarHBondContact O-N 3.44Å; A99-S103 WeakPolarHBondContact O-CB 3.28Å; A99-S103 PolarHBondContact O-N 3.19Å
100Y98.6Very high95.7Very high0 Ų045.2 Ų45.20%024%0.242CC..Hα-helixtrans-63.2-47.5171.9179.1-90000112.3F60 L63 N64 L74 L76 G96 L97 Q98 D102 S103 I104F60-Y100 AromaticContact CD1-CD1 3.8Å; F60-Y100 HydrophobicContact CD1-CD1 3.8Å; F60-Y100 HydrophobicContact CD1-CE1 4.02Å; F60-Y100 HydrophobicContact CE1-CD1 4.29Å; L63-Y100 HydrophobicContact CD2-CE1 3.98Å; N64-Y100 WeakPolarHBondContact CA-OH 3.45Å; N64-Y100 HydrophobicContact CB-CE2 4.14Å; N64-Y100 WeakPolarHBondContact CB-OH 3.33Å; N64-Y100 PolarHBondContact N-OH 3.23Å; N64-Y100 WeakPolarHBondContact OD1-CE2 3.46Å; L74-Y100 HydrophobicContact CB-CD2 4.13Å; L74-Y100 HydrophobicContact CB-CE2 3.68Å; L74-Y100 HydrophobicContact CD1-CE2 4.04Å; L74-Y100 HydrophobicContact CG-CE2 4.48Å; L76-Y100 HydrophobicContact CB-CD2 3.93Å; L76-Y100 HydrophobicContact CB-CE2 4.06Å; L76-Y100 HydrophobicContact CD1-CD2 4.03Å; L76-Y100 HydrophobicContact CD1-CE2 4.1Å; L76-Y100 HydrophobicContact CD1-CG 4.28Å; G96-Y100 PolarHBondContact O-N 3.12Å; L97-Y100 WeakPolarHBondContact O-CB 3.44Å; L97-Y100 PolarHBondContact O-N 3.39Å; Q98-Y100 PolarHBondContact O-N 3.5Å; Y100-D102 VanDerWaalsContact C-N 3.34Å; Y100-D102 PolarHBondContact O-N 3.32Å; Y100-S103 PolarHBondContact O-N 3.02Å; Y100-I104 HydrophobicContact CD1-CD1 4.32Å; Y100-I104 HydrophobicContact CE1-CD1 3.87Å; Y100-I104 HydrophobicContact CE1-CG2 4.14Å; Y100-I104 HydrophobicContact CE2-CG2 4.39Å; Y100-I104 WeakPolarHBondContact O-CG1 3.4Å; Y100-I104 PolarHBondContact O-N 3.28Å; Y100-I104 VanDerWaalsContact O-N 3.08Å
101L98.6Very high96.1Very high0 Ų046.1 Ų46.10%025%0.249CC..Hα-helixtrans-59.2-44.7175.7-71.8174.5000111.8A23 I25 I39 F60 L97 Q98 S103 I104 T105 F119 L120A23-L101 HydrophobicContact CB-CB 4.45Å; A23-L101 HydrophobicContact CB-CD1 4.16Å; A23-L101 HydrophobicContact CB-CD2 4.38Å; I25-L101 HydrophobicContact CD1-CD1 4.04Å; I25-L101 HydrophobicContact CG1-CD1 3.72Å; I39-L101 HydrophobicContact CD1-CD1 4.19Å; I39-L101 HydrophobicContact CG2-CD1 4.02Å; F60-L101 HydrophobicContact CE1-CD1 4.33Å; F60-L101 HydrophobicContact CE1-CD2 3.79Å; F60-L101 HydrophobicContact CE1-CG 3.91Å; F60-L101 HydrophobicContact CZ-CD1 4.47Å; F60-L101 HydrophobicContact CZ-CD2 4.49Å; L97-L101 WeakPolarHBondContact O-CG 3.47Å; L97-L101 PolarHBondContact O-N 2.59Å; Q98-L101 WeakPolarHBondContact O-CB 3.45Å; Q98-L101 PolarHBondContact O-N 3.25Å; Q98-L101 VanDerWaalsContact O-N 3.09Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.38Å; L101-I104 HydrophobicContact CD2-CD1 4.22Å; L101-I104 VanDerWaalsContact O-CG1 3.3Å; L101-I104 WeakPolarHBondContact O-CG1 3.36Å; L101-I104 PolarHBondContact O-N 3.17Å; L101-T105 WeakPolarHBondContact O-CB 3.42Å; L101-T105 VanDerWaalsContact O-CG2 3.31Å; L101-T105 WeakPolarHBondContact O-CG2 3.45Å; L101-T105 PolarHBondContact O-N 3.19Å; L101-T105 PolarHBondContact O-OG1 3.5Å; L101-F119 HydrophobicContact CD2-CE1 4.04Å; L101-L120 HydrophobicContact CD2-CD2 4.25Å
102D98.1Very high96.3Very high58 Ų5845 Ų4531%0.3124%0.237SC..Hα-helixtrans-59.9-45.9177.9-65.8-20.7000110.3Q98 Y100 I104 T105 Q106Q98-D102 PolarHBondContact NE2-OD1 2.81Å; Q98-D102 PolarHBondContact O-N 2.84Å; Y100-D102 VanDerWaalsContact C-N 3.34Å; Y100-D102 PolarHBondContact O-N 3.32Å; D102-I104 PolarHBondContact O-N 3Å; D102-T105 PolarHBondContact O-N 2.78Å; D102-T105 PolarHBondContact O-OG1 3.42Å; D102-Q106 VanDerWaalsContact O-CB 3.22Å; D102-Q106 WeakPolarHBondContact O-CB 3.49Å; D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 2.9Å
103S97.5Very high96.4Very high41 Ų4140 Ų4029%0.28722%0.215SC..Hα-helixtrans-59.1-48.9178.1-176.20000112.7A99 Y100 L101 H107A99-S103 WeakPolarHBondContact O-CB 3.28Å; A99-S103 PolarHBondContact O-N 3.19Å; Y100-S103 PolarHBondContact O-N 3.02Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.38Å; S103-H107 WeakPolarHBondContact O-CB 3.25Å; S103-H107 PolarHBondContact O-N 3.47Å
104I97.8Very high96.5Very high0 Ų041.3 Ų41.30%022%0.223CC..Hα-helixtrans-74.2-29.6-177.366173.9000113.2L63 L67 L74 Y100 L101 D102 I110 C111 V116L63-I104 HydrophobicContact CD2-CD1 3.75Å; L67-I104 HydrophobicContact CD1-CG2 3.9Å; L74-I104 HydrophobicContact CD1-CG2 3.9Å; L74-I104 HydrophobicContact CD2-CG2 4.06Å; Y100-I104 HydrophobicContact CD1-CD1 4.32Å; Y100-I104 HydrophobicContact CE1-CD1 3.87Å; Y100-I104 HydrophobicContact CE1-CG2 4.14Å; Y100-I104 HydrophobicContact CE2-CG2 4.39Å; Y100-I104 WeakPolarHBondContact O-CG1 3.4Å; Y100-I104 PolarHBondContact O-N 3.28Å; Y100-I104 VanDerWaalsContact O-N 3.08Å; L101-I104 HydrophobicContact CD2-CD1 4.22Å; L101-I104 VanDerWaalsContact O-CG1 3.3Å; L101-I104 WeakPolarHBondContact O-CG1 3.36Å; L101-I104 PolarHBondContact O-N 3.17Å; D102-I104 PolarHBondContact O-N 3Å; I104-I110 HydrophobicContact CB-CG2 3.76Å; I104-I110 HydrophobicContact CG2-CG2 4.11Å; I104-C111 WeakPolarHBondContact O-CA 3.42Å; I104-C111 WeakPolarHBondContact O-CB 3.24Å; I104-C111 PolarHBondContact O-N 3.48Å; I104-V116 HydrophobicContact CB-CG2 4.29Å; I104-V116 HydrophobicContact CD1-CG1 4.22Å; I104-V116 HydrophobicContact CD1-CG2 4.11Å
105T97.1Very high96.5Very high24 Ų2443.1 Ų43.115%0.14723%0.23CC..Hα-helixtrans-83.3-25.6-179.655.10000112.7L101 D102 C111 L120L101-T105 WeakPolarHBondContact O-CB 3.42Å; L101-T105 VanDerWaalsContact O-CG2 3.31Å; L101-T105 WeakPolarHBondContact O-CG2 3.45Å; L101-T105 PolarHBondContact O-N 3.19Å; L101-T105 PolarHBondContact O-OG1 3.5Å; D102-T105 PolarHBondContact O-N 2.78Å; D102-T105 PolarHBondContact O-OG1 3.42Å; T105-C111 VanDerWaalsContact O-CB 3.22Å; T105-C111 WeakPolarHBondContact O-CB 3.25Å; T105-L120 HydrophobicContact CG2-CD1 3.84Å
106Q94.6Very high96.6Very high143 Ų14334.7 Ų34.767%0.66820%0.198SC*.Hα-helixtrans-87.3-23176.3-66.117119.800113.1D102 P108D102-Q106 VanDerWaalsContact O-CB 3.22Å; D102-Q106 WeakPolarHBondContact O-CB 3.49Å; D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 2.9Å; Q106-P108 WeakPolarHBondContact O-CD 3.4Å
107H94.8Very high96.6Very high48 Ų4833.9 Ų33.922%0.22219%0.189CC..SBendtrans-71.5121.2179.6-175-79.8000112I72 S103 L109 I110 C111I72-H107 WeakPolarHBondContact CD1-NE2 3.33Å; S103-H107 WeakPolarHBondContact O-CB 3.25Å; S103-H107 PolarHBondContact O-N 3.47Å; H107-L109 VanDerWaalsContact C-N 3.27Å; H107-L109 PolarHBondContact ND1-N 2.84Å; H107-L109 PolarHBondContact O-N 3.26Å; H107-I110 HydrophobicContact CB-CB 4.05Å; H107-I110 HydrophobicContact CB-CD1 4.23Å; H107-I110 HydrophobicContact CB-CG1 4.42Å; H107-I110 WeakPolarHBondContact ND1-CG1 3.18Å; H107-I110 PolarHBondContact ND1-N 3.07Å; H107-I110 PolarHBondContact O-N 3.12Å; H107-I110 VanDerWaalsContact O-N 3.13Å; H107-C111 PolarHBondContact O-N 3.22Å; H107-C111 VanDerWaalsContact O-N 3.14Å; H107-C111 PolarHBondContact O-SG 2.98Å
108P91.1Very high96.5Very high98 Ų9838.8 Ų38.864%0.63621%0.21SC*.THydrogen-bonded Turntrans-56.6-30.7-167.3-28.534.5000116.3Q106Q106-P108 WeakPolarHBondContact O-CD 3.4Å
109L94.1Very high96.5Very high24 Ų2438.1 Ų38.113%0.12621%0.207CC..THydrogen-bonded Turntrans-100.2-24.2-178.6-56.1-171.9000113.8H107 T112 L249 Y252H107-L109 VanDerWaalsContact C-N 3.27Å; H107-L109 PolarHBondContact ND1-N 2.84Å; H107-L109 PolarHBondContact O-N 3.26Å; L109-T112 PolarHBondContact O-OG1 3.01Å; L109-L249 WeakPolarHBondContact O-CD2 3.49Å; L109-Y252 VanDerWaalsContact CD1-O 3.31Å; L109-Y252 WeakPolarHBondContact CD1-O 3.44Å
110I96.1Very high96.5Very high0 Ų035.9 Ų35.90%019%0.188CC..THydrogen-bonded Turntrans-82.8-39-175.4-71.7171.9000109.1L67 C70 I72 L74 I104 H107 T112 S113 V116L67-I110 HydrophobicContact CD1-CG2 3.95Å; L67-I110 HydrophobicContact CD2-CG2 3.96Å; C70-I110 HydrophobicContact CB-CD1 4.41Å; I72-I110 HydrophobicContact CD1-CD1 4.05Å; L74-I110 HydrophobicContact CD2-CD1 4.22Å; I104-I110 HydrophobicContact CB-CG2 3.76Å; I104-I110 HydrophobicContact CG2-CG2 4.11Å; H107-I110 HydrophobicContact CB-CB 4.05Å; H107-I110 HydrophobicContact CB-CD1 4.23Å; H107-I110 HydrophobicContact CB-CG1 4.42Å; H107-I110 WeakPolarHBondContact ND1-CG1 3.18Å; H107-I110 PolarHBondContact ND1-N 3.07Å; H107-I110 PolarHBondContact O-N 3.12Å; H107-I110 VanDerWaalsContact O-N 3.13Å; I110-T112 PolarHBondContact O-N 3.37Å; I110-T112 VanDerWaalsContact O-N 3.17Å; I110-S113 VanDerWaalsContact O-CB 3.26Å; I110-S113 WeakPolarHBondContact O-CB 3.45Å; I110-S113 PolarHBondContact O-N 2.79Å; I110-S113 PolarHBondContact O-OG 2.78Å; I110-V116 HydrophobicContact CG2-CG2 3.65Å; I110-V116 VanDerWaalsContact O-CG2 3.31Å; I110-V116 WeakPolarHBondContact O-CG2 3.43Å
111C95.8Very high96.4Very high26 Ų2636 Ų3618%0.17619%0.189CC..THydrogen-bonded Turntrans-63.1-22.9-179.671.20000113.6I104 T105 H107 K117I104-C111 WeakPolarHBondContact O-CA 3.42Å; I104-C111 WeakPolarHBondContact O-CB 3.24Å; I104-C111 PolarHBondContact O-N 3.48Å; T105-C111 VanDerWaalsContact O-CB 3.22Å; T105-C111 WeakPolarHBondContact O-CB 3.25Å; H107-C111 PolarHBondContact O-N 3.22Å; H107-C111 VanDerWaalsContact O-N 3.14Å; H107-C111 PolarHBondContact O-SG 2.98Å; C111-K117 VanDerWaalsContact O-CE 3.31Å; C111-K117 WeakPolarHBondContact O-CE 3.46Å
112T94.2Very high96.2Very high26 Ų2637.9 Ų37.916%0.1620%0.201CC..THydrogen-bonded Turntrans-94.4-2.2177530000113.3L109 I110L109-T112 PolarHBondContact O-OG1 3.01Å; I110-T112 PolarHBondContact O-N 3.37Å; I110-T112 VanDerWaalsContact O-N 3.17Å
113S96Very high96Very high9 Ų941.8 Ų41.86%0.06322%0.222CC..SBendtrans-71.3148.6178.7720000112.5I110 F115 V116 K117I110-S113 VanDerWaalsContact O-CB 3.26Å; I110-S113 WeakPolarHBondContact O-CB 3.45Å; I110-S113 PolarHBondContact O-N 2.79Å; I110-S113 PolarHBondContact O-OG 2.78Å; S113-F115 PolarHBondContact O-N 3.46Å; S113-V116 PolarHBondContact O-N 3.39Å; S113-V116 WeakPolarHBondContact OG-CG2 3.46Å; S113-V116 PolarHBondContact OG-N 3.07Å; S113-K117 WeakPolarHBondContact O-CB 3.39Å; S113-K117 WeakPolarHBondContact O-CG 3.2Å; S113-K117 PolarHBondContact O-N 3.29Å
114L95.9Very high95.7Very high45 Ų4543.6 Ų43.624%0.23623%0.229CC..Hα-helixtrans-56.7-35.9173.2176.157.4000111.8K118 Y125 Y129 I160L114-K118 HydrophobicContact CD1-CB 4.38Å; L114-K118 WeakPolarHBondContact O-CB 3.41Å; L114-K118 PolarHBondContact O-N 3.37Å; L114-Y125 HydrophobicContact CD1-CD1 4.3Å; L114-Y129 HydrophobicContact CD1-CE2 4.02Å; L114-Y129 HydrophobicContact CD2-CD2 4.45Å; L114-I160 HydrophobicContact CB-CD1 4.46Å; L114-I160 HydrophobicContact CB-CG1 4.21Å; L114-I160 HydrophobicContact CB-CG2 4.28Å; L114-I160 HydrophobicContact CD1-CG2 3.76Å; L114-I160 HydrophobicContact CG-CG2 4.42Å
115F97Very high95.6Very high87 Ų8743.6 Ų43.638%0.38223%0.229SC..Hα-helixtrans-59.8-49.9179.5-55.8-59.6000112L63 L67 S113 F119 L249L63-F115 HydrophobicContact CD1-CB 3.78Å; L67-F115 HydrophobicContact CD2-CB 4.18Å; L67-F115 HydrophobicContact CD2-CD2 4.08Å; S113-F115 PolarHBondContact O-N 3.46Å; F115-F119 WeakPolarHBondContact O-CB 3.36Å; F115-F119 PolarHBondContact O-N 3.16Å; F115-L249 HydrophobicContact CD2-CD1 3.99Å; F115-L249 HydrophobicContact CE2-CD1 3.96Å
116V97.9Very high95.3Very high2 Ų245.9 Ų45.91%0.01225%0.246CC..Hα-helixtrans-70.7-44.5179.7176.80000111.1L63 L67 I104 I110 S113 K118 F119 L120L63-V116 HydrophobicContact CD1-CG2 4.39Å; L67-V116 HydrophobicContact CD1-CG2 4.1Å; L67-V116 HydrophobicContact CD2-CG2 4.35Å; I104-V116 HydrophobicContact CB-CG2 4.29Å; I104-V116 HydrophobicContact CD1-CG1 4.22Å; I104-V116 HydrophobicContact CD1-CG2 4.11Å; I110-V116 HydrophobicContact CG2-CG2 3.65Å; I110-V116 VanDerWaalsContact O-CG2 3.31Å; I110-V116 WeakPolarHBondContact O-CG2 3.43Å; S113-V116 PolarHBondContact O-N 3.39Å; S113-V116 WeakPolarHBondContact OG-CG2 3.46Å; S113-V116 PolarHBondContact OG-N 3.07Å; V116-K118 VanDerWaalsContact C-N 3.35Å; V116-K118 PolarHBondContact O-N 3.35Å; V116-F119 PolarHBondContact O-N 2.91Å; V116-L120 HydrophobicContact CG1-CD1 3.86Å; V116-L120 HydrophobicContact CG1-CG 4.44Å; V116-L120 WeakPolarHBondContact O-CG 3.18Å; V116-L120 PolarHBondContact O-N 2.95Å
117K97.3Very high95.1Very high3 Ų341.1 Ų41.11%0.01323%0.231CC..Hα-helixtrans-60.9-42.2178.4-68.9-65.5-167.7172.80111.8D17 L19 L21 C111 S113 L120 D121 Y125 I160D17-K117 VanDerWaalsContact O-CE 3.31Å; D17-K117 WeakPolarHBondContact O-CE 3.15Å; D17-K117 PolarHBondContact O-NZ 2.86Å; L19-K117 PolarHBondContact O-NZ 3.42Å; L21-K117 HydrophobicContact CD1-CD 3.67Å; L21-K117 HydrophobicContact CG-CD 4.16Å; C111-K117 VanDerWaalsContact O-CE 3.31Å; C111-K117 WeakPolarHBondContact O-CE 3.46Å; S113-K117 WeakPolarHBondContact O-CB 3.39Å; S113-K117 WeakPolarHBondContact O-CG 3.2Å; S113-K117 PolarHBondContact O-N 3.29Å; K117-L120 PolarHBondContact O-N 3.4Å; K117-D121 CarbonylContact O-C 3.47Å; K117-D121 WeakPolarHBondContact O-CA 3.36Å; K117-D121 WeakPolarHBondContact O-CB 3.38Å; K117-D121 PolarHBondContact O-N 3.23Å; K117-Y125 HydrophobicContact CB-CD1 3.88Å; K117-Y125 HydrophobicContact CB-CD2 3.73Å; K117-Y125 HydrophobicContact CB-CE1 3.9Å; K117-Y125 HydrophobicContact CB-CE2 3.75Å; K117-Y125 HydrophobicContact CB-CG 3.8Å; K117-Y125 HydrophobicContact CD-CE2 4.2Å; K117-Y125 HydrophobicContact CG-CE1 4.23Å; K117-Y125 HydrophobicContact CG-CE2 4.33Å; K117-Y125 WeakPolarHBondContact O-CD2 3.48Å; K117-I160 HydrophobicContact CB-CD1 3.95Å; K117-I160 HydrophobicContact CG-CD1 3.65Å
118K97.3Very high95Very high103 Ų10343 Ų4345%0.44824%0.242SC..Hα-helixtrans-67.5-37.4174.9-176174.91791710112.8L114 V116 L120 P122L114-K118 HydrophobicContact CD1-CB 4.38Å; L114-K118 WeakPolarHBondContact O-CB 3.41Å; L114-K118 PolarHBondContact O-N 3.37Å; V116-K118 VanDerWaalsContact C-N 3.35Å; V116-K118 PolarHBondContact O-N 3.35Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-P122 WeakPolarHBondContact O-CA 3.37Å
119F98.4Very high95Very high16 Ų1639 Ų397%0.0722%0.215CC..Hα-helixtrans-64.6-39.3176.7-176.3-92.3000112.1I39 R55 D59 F60 L63 L101 F115 V116I39-F119 HydrophobicContact CD1-CE1 4.03Å; I39-F119 HydrophobicContact CD1-CZ 4.42Å; R55-F119 HydrophobicContact CB-CE2 4.35Å; R55-F119 HydrophobicContact CB-CZ 3.9Å; R55-F119 HydrophobicContact CG-CE1 3.95Å; R55-F119 HydrophobicContact CG-CE2 3.86Å; R55-F119 HydrophobicContact CG-CZ 3.49Å; R55-F119 VanDerWaalsContact CG-CZ 3.49Å; R55-F119 VanDerWaalsContact CZ-O 3.29Å; R55-F119 PolarHBondContact NE-O 2.71Å; R55-F119 PolarHBondContact NH2-O 3.23Å; D59-F119 HydrophobicContact CB-CE2 3.93Å; F60-F119 HydrophobicContact CD1-CE1 4.36Å; F60-F119 AromaticContact CD1-CZ 3.79Å; F60-F119 HydrophobicContact CD1-CZ 3.79Å; F60-F119 AromaticContact CD2-CZ 3.99Å; F60-F119 HydrophobicContact CD2-CZ 3.99Å; F60-F119 HydrophobicContact CE1-CE1 4.01Å; F60-F119 AromaticContact CE1-CZ 3.74Å; F60-F119 HydrophobicContact CE1-CZ 3.74Å; F60-F119 AromaticContact CE2-CZ 3.93Å; F60-F119 HydrophobicContact CE2-CZ 3.93Å; F60-F119 HydrophobicContact CG-CE2 4.46Å; F60-F119 AromaticContact CG-CZ 3.92Å; F60-F119 HydrophobicContact CG-CZ 3.92Å; F60-F119 HydrophobicContact CZ-CE1 4.21Å; F60-F119 AromaticContact CZ-CZ 3.82Å; F60-F119 HydrophobicContact CZ-CZ 3.82Å; L63-F119 HydrophobicContact CB-CD2 4.04Å; L63-F119 HydrophobicContact CB-CE2 4.35Å; L63-F119 HydrophobicContact CD1-CB 4.33Å; L63-F119 HydrophobicContact CD2-CB 3.96Å; L63-F119 HydrophobicContact CD2-CD1 3.85Å; L63-F119 HydrophobicContact CD2-CD2 3.77Å; L63-F119 HydrophobicContact CD2-CE1 4.25Å; L63-F119 HydrophobicContact CD2-CE2 4.16Å; L63-F119 HydrophobicContact CD2-CG 3.59Å; L63-F119 HydrophobicContact CD2-CZ 4.38Å; L63-F119 HydrophobicContact CG-CD2 4.41Å; L101-F119 HydrophobicContact CD2-CE1 4.04Å; F115-F119 WeakPolarHBondContact O-CB 3.36Å; F115-F119 PolarHBondContact O-N 3.16Å; V116-F119 PolarHBondContact O-N 2.91Å
120L98.3Very high94.9Very high0 Ų040.7 Ų40.70%023%0.226CC..Hα-helixtrans-91.5-22.4-177.8-63.1177.8000114.1L21 A23 V41 W51 V53 L101 T105 V116 K117 K118L21-L120 HydrophobicContact CB-CD1 4.05Å; L21-L120 HydrophobicContact CD1-CB 3.87Å; L21-L120 HydrophobicContact CD1-CD1 4.25Å; A23-L120 HydrophobicContact CB-CD1 4.32Å; A23-L120 HydrophobicContact CB-CD2 3.76Å; V41-L120 HydrophobicContact CG1-CB 4.06Å; V41-L120 HydrophobicContact CG2-CB 4.15Å; V41-L120 HydrophobicContact CG2-CD2 3.97Å; W51-L120 PolarHBondContact NE1-O 3.46Å; V53-L120 VanDerWaalsContact CG1-O 3.3Å; V53-L120 WeakPolarHBondContact CG1-O 3.37Å; L101-L120 HydrophobicContact CD2-CD2 4.25Å; T105-L120 HydrophobicContact CG2-CD1 3.84Å; V116-L120 HydrophobicContact CG1-CD1 3.86Å; V116-L120 HydrophobicContact CG1-CG 4.44Å; V116-L120 WeakPolarHBondContact O-CG 3.18Å; V116-L120 PolarHBondContact O-N 2.95Å; K117-L120 PolarHBondContact O-N 3.4Å; K118-L120 VanDerWaalsContact C-N 3.34Å
121D97Very high94.8Very high4 Ų446.7 Ų46.72%0.02125%0.254CS..  trans-14468.9-175.7-170.7-8.4000111L21 R43 W51 K117 N123 N124 Y125L21-D121 HydrophobicContact CD1-CB 4.45Å; R43-D121 IonicContact CZ-OD2 2.7Å; R43-D121 IonicContact NH2-OD2 3.86Å; R43-D121 PolarHBondContact NH2-OD2 3.44Å; W51-D121 HydrophobicContact CH2-CB 4.47Å; W51-D121 HydrophobicContact CZ2-CB 3.65Å; K117-D121 CarbonylContact O-C 3.47Å; K117-D121 WeakPolarHBondContact O-CA 3.36Å; K117-D121 WeakPolarHBondContact O-CB 3.38Å; K117-D121 PolarHBondContact O-N 3.23Å; D121-N123 PolarHBondContact O-N 3.07Å; D121-N124 VanDerWaalsContact CG-ND2 3.29Å; D121-N124 PolarHBondContact O-N 3.4Å; D121-N124 PolarHBondContact OD1-N 2.7Å; D121-N124 PolarHBondContact OD1-ND2 3.35Å; D121-N124 PolarHBondContact OD2-ND2 2.62Å; D121-Y125 HydrophobicContact CB-CD2 3.78Å; D121-Y125 HydrophobicContact CB-CE2 3.93Å; D121-Y125 VanDerWaalsContact O-CD2 3.31Å; D121-Y125 WeakPolarHBondContact O-CD2 3.48Å; D121-Y125 PolarHBondContact O-N 3.32Å
122P95.2Very high94.7Very high39 Ų3948.3 Ų48.325%0.25326%0.26SS..Hα-helixtrans-63-27.6-175.426.5-35.9000112.9K118 N124 S126K118-P122 WeakPolarHBondContact O-CA 3.37Å; P122-N124 VanDerWaalsContact C-N 3.35Å; P122-N124 PolarHBondContact O-N 3.28Å; P122-S126 WeakPolarHBondContact O-CB 3.43Å; P122-S126 PolarHBondContact O-N 3.31Å; P122-S126 VanDerWaalsContact O-N 3.13Å; P122-S126 PolarHBondContact O-OG 3.34Å
123N92.2Very high94.7Very high140 Ų14047 Ų4775%0.74925%0.253SS*.Hα-helixtrans-66-38.2-178-67.7-16.2000111.7D121D121-N123 PolarHBondContact O-N 3.07Å
124N92.2Very high94.6Very high78 Ų7849.9 Ų49.942%0.41727%0.266SS..Hα-helixtrans-93.2-15.4-178.5-70.4-63.7000114.6L15 D121 P122 Y129L15-N124 HydrophobicContact CD2-CB 3.59Å; D121-N124 VanDerWaalsContact CG-ND2 3.29Å; D121-N124 PolarHBondContact O-N 3.4Å; D121-N124 PolarHBondContact OD1-N 2.7Å; D121-N124 PolarHBondContact OD1-ND2 3.35Å; D121-N124 PolarHBondContact OD2-ND2 2.62Å; P122-N124 VanDerWaalsContact C-N 3.35Å; P122-N124 PolarHBondContact O-N 3.28Å; N124-Y129 PolarHBondContact O-OH 3.27Å
125Y94.5Very high94.5Very high1 Ų153.6 Ų53.60%0.00428%0.283CS..Hα-helixtrans-127.817.7-171.5-60.8-82.5000115L15 D17 R43 L114 K117 D121 Y129 I160L15-Y125 HydrophobicContact CD2-CE1 4.26Å; L15-Y125 HydrophobicContact CD2-CE2 3.99Å; L15-Y125 WeakPolarHBondContact CD2-OH 3.06Å; D17-Y125 WeakPolarHBondContact OD1-CE1 3.42Å; D17-Y125 VanDerWaalsContact OD1-CZ 3.23Å; D17-Y125 PolarHBondContact OD1-OH 2.85Å; R43-Y125 PolarHBondContact NH1-OH 3.4Å; R43-Y125 PolarHBondContact NH2-OH 3Å; L114-Y125 HydrophobicContact CD1-CD1 4.3Å; K117-Y125 HydrophobicContact CB-CD1 3.88Å; K117-Y125 HydrophobicContact CB-CD2 3.73Å; K117-Y125 HydrophobicContact CB-CE1 3.9Å; K117-Y125 HydrophobicContact CB-CE2 3.75Å; K117-Y125 HydrophobicContact CB-CG 3.8Å; K117-Y125 HydrophobicContact CD-CE2 4.2Å; K117-Y125 HydrophobicContact CG-CE1 4.23Å; K117-Y125 HydrophobicContact CG-CE2 4.33Å; K117-Y125 WeakPolarHBondContact O-CD2 3.48Å; D121-Y125 HydrophobicContact CB-CD2 3.78Å; D121-Y125 HydrophobicContact CB-CE2 3.93Å; D121-Y125 VanDerWaalsContact O-CD2 3.31Å; D121-Y125 WeakPolarHBondContact O-CD2 3.48Å; D121-Y125 PolarHBondContact O-N 3.32Å; Y125-Y129 WeakPolarHBondContact CA-OH 3.47Å; Y125-I160 HydrophobicContact CD1-CD1 3.96Å; Y125-I160 HydrophobicContact CD1-CG2 4.17Å; Y125-I160 HydrophobicContact CE1-CD1 3.66Å; Y125-I160 HydrophobicContact CE1-CG2 4.5Å
126S90.9Very high94.3Very high72 Ų7251.3 Ų51.350%0.50327%0.273SS..  trans-82.1-19.3177.549.70000114.4P122P122-S126 WeakPolarHBondContact O-CB 3.43Å; P122-S126 PolarHBondContact O-N 3.31Å; P122-S126 VanDerWaalsContact O-N 3.13Å; P122-S126 PolarHBondContact O-OG 3.34Å
127A91.3Very high94.1Very high43 Ų4351.2 Ų51.236%0.35527%0.273SS..SBendtrans-61.7145-174.900000113.4Y129 I132A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 HydrophobicContact CB-CD1 4.25Å; A127-Y129 HydrophobicContact CB-CE1 3.87Å; A127-Y129 WeakPolarHBondContact O-CD2 3.28Å; A127-Y129 PolarHBondContact O-N 3.45Å; A127-Y129 VanDerWaalsContact O-N 3.08Å; A127-I132 HydrophobicContact CB-CD1 4.13Å
128N91.9Very high93.9Very high86 Ų8653.2 Ų53.246%0.4629%0.287SS..  trans-82.879.2171.6-169.9-5.3000110.6T130 E131 I132N128-T130 PolarHBondContact O-N 3.36Å; N128-E131 HydrophobicContact CB-CB 4.06Å; N128-E131 VanDerWaalsContact CG-CB 3.49Å; N128-E131 WeakPolarHBondContact ND2-CB 3.3Å; N128-E131 PolarHBondContact ND2-OE2 2.97Å; N128-E131 PolarHBondContact O-N 3.14Å; N128-E131 VanDerWaalsContact O-N 3.15Å; N128-E131 PolarHBondContact OD1-N 3.02Å; N128-I132 WeakPolarHBondContact O-CG1 3.46Å; N128-I132 PolarHBondContact O-N 2.96Å
129Y92.1Very high93.6Very high16 Ų1652.7 Ų52.76%0.06329%0.287CS..Hα-helixtrans-58.2-30.8-176.7-57.8-68.9000113.7L114 N124 Y125 A127 A133 I160 R161 K163L114-Y129 HydrophobicContact CD1-CE2 4.02Å; L114-Y129 HydrophobicContact CD2-CD2 4.45Å; N124-Y129 PolarHBondContact O-OH 3.27Å; Y125-Y129 WeakPolarHBondContact CA-OH 3.47Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 HydrophobicContact CB-CD1 4.25Å; A127-Y129 HydrophobicContact CB-CE1 3.87Å; A127-Y129 WeakPolarHBondContact O-CD2 3.28Å; A127-Y129 PolarHBondContact O-N 3.45Å; A127-Y129 VanDerWaalsContact O-N 3.08Å; Y129-A133 WeakPolarHBondContact O-CB 3.4Å; Y129-A133 PolarHBondContact O-N 3.01Å; Y129-I160 HydrophobicContact CD2-CG2 4.09Å; Y129-I160 HydrophobicContact CE2-CG2 3.71Å; Y129-R161 HydrophobicContact CD1-CG 4.04Å; Y129-R161 HydrophobicContact CE1-CG 3.72Å; Y129-K163 VanDerWaalsContact CB-CE 3.46Å
130T92.3Very high93.3Very high59 Ų5954.3 Ų54.336%0.36229%0.294SS..Hα-helixtrans-68-43.3178.4-580000111.3N128 A133 L134N128-T130 PolarHBondContact O-N 3.36Å; T130-A133 PolarHBondContact O-N 2.89Å; T130-L134 WeakPolarHBondContact O-CB 3.27Å; T130-L134 PolarHBondContact O-N 3.23Å
131E92.9Very high93Very high125 Ų12555.2 Ų55.258%0.58430%0.298SS*.Hα-helixtrans-67.5-44.6177.7-177.8174.8-171.800111.6N128 A133 L134 Q135N128-E131 HydrophobicContact CB-CB 4.06Å; N128-E131 VanDerWaalsContact CG-CB 3.49Å; N128-E131 WeakPolarHBondContact ND2-CB 3.3Å; N128-E131 PolarHBondContact ND2-OE2 2.97Å; N128-E131 PolarHBondContact O-N 3.14Å; N128-E131 VanDerWaalsContact O-N 3.15Å; N128-E131 PolarHBondContact OD1-N 3.02Å; E131-A133 VanDerWaalsContact C-N 3.33Å; E131-A133 PolarHBondContact O-N 3.46Å; E131-L134 PolarHBondContact O-N 3.24Å; E131-Q135 WeakPolarHBondContact O-CB 3.36Å; E131-Q135 PolarHBondContact O-N 3.29Å
132I93Very high92.7Very high60 Ų6064.3 Ų64.331%0.30833%0.332SS..Hα-helixtrans-56.6-49174.1-65.7167.5000110.3A127 N128 Q135 Q136 W181A127-I132 HydrophobicContact CB-CD1 4.13Å; N128-I132 WeakPolarHBondContact O-CG1 3.46Å; N128-I132 PolarHBondContact O-N 2.96Å; I132-Q135 PolarHBondContact O-N 2.76Å; I132-Q136 WeakPolarHBondContact O-CG 3.03Å; I132-Q136 PolarHBondContact O-N 2.78Å; I132-W181 HydrophobicContact CG2-CH2 4.06Å; I132-W181 HydrophobicContact CG2-CZ2 4.1Å
133A94.9Very high92.4Very high0 Ų067.3 Ų67.30%035%0.354CS..Hα-helixtrans-62.2-45.2179.100000111.7Y129 T130 E131 Q135 Q136 V137 K163 F165 W181Y129-A133 WeakPolarHBondContact O-CB 3.4Å; Y129-A133 PolarHBondContact O-N 3.01Å; T130-A133 PolarHBondContact O-N 2.89Å; E131-A133 VanDerWaalsContact C-N 3.33Å; E131-A133 PolarHBondContact O-N 3.46Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.09Å; A133-Q136 PolarHBondContact O-N 3.28Å; A133-V137 WeakPolarHBondContact O-CB 3.45Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å; A133-V137 PolarHBondContact O-N 2.92Å; A133-K163 HydrophobicContact CB-CB 3.75Å; A133-K163 HydrophobicContact CB-CG 3.97Å; A133-F165 HydrophobicContact CB-CE2 3.87Å; A133-F165 HydrophobicContact CB-CZ 3.82Å; A133-W181 HydrophobicContact CB-CB 4.04Å; A133-W181 HydrophobicContact CB-CD2 3.58Å; A133-W181 HydrophobicContact CB-CE3 3.51Å; A133-W181 HydrophobicContact CB-CG 3.82Å; A133-W181 HydrophobicContact CB-CZ3 4.18Å
134L94.4Very high92.3Very high68 Ų6862.4 Ų62.436%0.35633%0.328SS..Hα-helixtrans-62.5-41.2179.9-178.562.5000111.7T130 E131 S138 V149 F165T130-L134 WeakPolarHBondContact O-CB 3.27Å; T130-L134 PolarHBondContact O-N 3.23Å; E131-L134 PolarHBondContact O-N 3.24Å; L134-S138 VanDerWaalsContact O-CB 3.25Å; L134-S138 WeakPolarHBondContact O-CB 3.4Å; L134-S138 PolarHBondContact O-N 3.25Å; L134-S138 PolarHBondContact O-OG 2.79Å; L134-V149 HydrophobicContact CD1-CG1 4.46Å; L134-F165 HydrophobicContact CB-CE1 4.07Å; L134-F165 HydrophobicContact CB-CZ 4.18Å; L134-F165 HydrophobicContact CD1-CD1 4.37Å; L134-F165 HydrophobicContact CD1-CE1 3.85Å
135Q93.4Very high92.1Very high124 Ų12462.9 Ų62.958%0.57934%0.335SS*.Hα-helixtrans-61.6-48.3175.9-171.5-176.216.600111E131 I132 A133 S138 M139E131-Q135 WeakPolarHBondContact O-CB 3.36Å; E131-Q135 PolarHBondContact O-N 3.29Å; I132-Q135 PolarHBondContact O-N 2.76Å; A133-Q135 VanDerWaalsContact C-N 3.34Å; A133-Q135 PolarHBondContact O-N 3.09Å; Q135-S138 PolarHBondContact O-N 2.96Å; Q135-M139 HydrophobicContact CG-CE 4.34Å; Q135-M139 WeakPolarHBondContact O-CG 3.45Å; Q135-M139 PolarHBondContact O-N 2.93Å
136Q93.2Very high92.1Very high39 Ų3965.9 Ų65.918%0.18235%0.348CS..Hα-helixtrans-63.5-47.7179-69.2-171.219.800112I132 A133 S138 M139 F140 S222I132-Q136 WeakPolarHBondContact O-CG 3.03Å; I132-Q136 PolarHBondContact O-N 2.78Å; A133-Q136 PolarHBondContact O-N 3.28Å; Q136-S138 VanDerWaalsContact C-N 3.3Å; Q136-S138 PolarHBondContact O-N 3.08Å; Q136-M139 HydrophobicContact CB-CE 4.48Å; Q136-M139 HydrophobicContact CG-CE 4.13Å; Q136-M139 WeakPolarHBondContact O-CB 3.33Å; Q136-M139 PolarHBondContact O-N 2.81Å; Q136-M139 VanDerWaalsContact O-N 3.14Å; Q136-F140 WeakPolarHBondContact O-CD2 3.26Å; Q136-F140 PolarHBondContact O-N 3.1Å; Q136-S222 PolarHBondContact OE1-OG 3.42Å
137V94Very high92.2Very high0 Ų063.3 Ų63.30%033%0.327CS..Hα-helixtrans-57.7-44.5176.5171.10000111A133 M139 F140 F141 V149 F165 L179 W181 L224A133-V137 WeakPolarHBondContact O-CB 3.45Å; A133-V137 WeakPolarHBondContact O-CG2 3.35Å; A133-V137 PolarHBondContact O-N 2.92Å; V137-M139 VanDerWaalsContact C-N 3.32Å; V137-M139 PolarHBondContact O-N 2.87Å; V137-F140 PolarHBondContact O-N 3.36Å; V137-F141 HydrophobicContact CG1-CD2 4.18Å; V137-F141 HydrophobicContact CG1-CE2 4.04Å; V137-F141 HydrophobicContact CG1-CZ 4.32Å; V137-F141 PolarHBondContact O-N 3.26Å; V137-V149 HydrophobicContact CG1-CG2 3.65Å; V137-F165 HydrophobicContact CG2-CD2 4.31Å; V137-F165 HydrophobicContact CG2-CE2 4.1Å; V137-L179 HydrophobicContact CG1-CD1 3.74Å; V137-L179 HydrophobicContact CG1-CD2 4.31Å; V137-L179 HydrophobicContact CG2-CD1 4.24Å; V137-L179 HydrophobicContact CG2-CD2 3.53Å; V137-W181 HydrophobicContact CG2-CB 4.28Å; V137-L224 HydrophobicContact CB-CD1 4.31Å; V137-L224 HydrophobicContact CG1-CD1 4.49Å; V137-L224 HydrophobicContact CG2-CD1 3.83Å
138S92.4Very high92.3Very high45 Ų4564.8 Ų64.832%0.31533%0.327SS..Hα-helixtrans-62.4-39.2177.9-59.70000112L134 Q135 Q136 F141 R142L134-S138 VanDerWaalsContact O-CB 3.25Å; L134-S138 WeakPolarHBondContact O-CB 3.4Å; L134-S138 PolarHBondContact O-N 3.25Å; L134-S138 PolarHBondContact O-OG 2.79Å; Q135-S138 PolarHBondContact O-N 2.96Å; Q136-S138 VanDerWaalsContact C-N 3.3Å; Q136-S138 PolarHBondContact O-N 3.08Å; S138-F141 PolarHBondContact O-N 3.09Å; S138-R142 WeakPolarHBondContact O-CG 3.44Å; S138-R142 PolarHBondContact O-N 2.65Å
139M91.8Very high92.5Very high91 Ų9162.5 Ų62.545%0.44832%0.316SS..Hα-helixtrans-64.5-42.7174.8-71.1-173.5-63.700112Q135 Q136 V137 R142Q135-M139 HydrophobicContact CG-CE 4.34Å; Q135-M139 WeakPolarHBondContact O-CG 3.45Å; Q135-M139 PolarHBondContact O-N 2.93Å; Q136-M139 HydrophobicContact CB-CE 4.48Å; Q136-M139 HydrophobicContact CG-CE 4.13Å; Q136-M139 WeakPolarHBondContact O-CB 3.33Å; Q136-M139 PolarHBondContact O-N 2.81Å; Q136-M139 VanDerWaalsContact O-N 3.14Å; V137-M139 VanDerWaalsContact C-N 3.32Å; V137-M139 PolarHBondContact O-N 2.87Å; M139-R142 PolarHBondContact O-N 3.47Å
140F90.5Very high92.6Very high50 Ų5066 Ų6622%0.21933%0.333CS..Hα-helixtrans-63.1-41.3176.4-82.3-70.1000112.5Q136 V137 R142 S143 S217 L224Q136-F140 WeakPolarHBondContact O-CD2 3.26Å; Q136-F140 PolarHBondContact O-N 3.1Å; V137-F140 PolarHBondContact O-N 3.36Å; F140-R142 VanDerWaalsContact C-N 3.28Å; F140-R142 PolarHBondContact O-N 2.8Å; F140-S143 PolarHBondContact O-N 3.4Å; F140-S143 PolarHBondContact O-OG 3.41Å; F140-S217 WeakPolarHBondContact CE1-OG 3.01Å; F140-L224 HydrophobicContact CB-CD1 3.88Å; F140-L224 HydrophobicContact CD2-CD1 3.63Å; F140-L224 HydrophobicContact CE2-CD1 4.43Å; F140-L224 HydrophobicContact CG-CD1 3.92Å
141F92.3Very high92.6Very high19 Ų1966.9 Ų66.98%0.08333%0.333CS..Hα-helixtrans-75.1-15.5-178.5-72.6-0.3000113.7V137 S138 S143 D144 W147 V149 V167 L179 L224 I226V137-F141 HydrophobicContact CG1-CD2 4.18Å; V137-F141 HydrophobicContact CG1-CE2 4.04Å; V137-F141 HydrophobicContact CG1-CZ 4.32Å; V137-F141 PolarHBondContact O-N 3.26Å; S138-F141 PolarHBondContact O-N 3.09Å; F141-S143 PolarHBondContact O-N 3.42Å; F141-D144 CarbonylContact O-C 3.57Å; F141-D144 VanDerWaalsContact O-C 3.28Å; F141-D144 PolarHBondContact O-N 2.88Å; F141-W147 HydrophobicContact CD1-CB 3.74Å; F141-W147 HydrophobicContact CD1-CG 4.41Å; F141-W147 HydrophobicContact CD2-CB 3.75Å; F141-W147 HydrophobicContact CE1-CB 3.58Å; F141-W147 AromaticContact CE1-CG 3.95Å; F141-W147 HydrophobicContact CE1-CG 3.95Å; F141-W147 HydrophobicContact CE2-CB 3.59Å; F141-W147 HydrophobicContact CG-CB 3.81Å; F141-W147 HydrophobicContact CZ-CB 3.47Å; F141-W147 VanDerWaalsContact CZ-CB 3.47Å; F141-W147 HydrophobicContact CZ-CG 4.01Å; F141-V149 HydrophobicContact CD2-CG2 4.02Å; F141-V149 HydrophobicContact CE2-CG2 3.92Å; F141-V167 HydrophobicContact CE2-CB 4.31Å; F141-V167 HydrophobicContact CE2-CG1 3.97Å; F141-V167 HydrophobicContact CZ-CG1 4.23Å; F141-L179 HydrophobicContact CE1-CD1 3.83Å; F141-L179 HydrophobicContact CE2-CD1 4.03Å; F141-L179 HydrophobicContact CZ-CD1 3.27Å; F141-L224 HydrophobicContact CE1-CD2 4.47Å; F141-I226 HydrophobicContact CE1-CD1 3.99Å; F141-I226 HydrophobicContact CZ-CD1 3.93Å
142R90.9Very high92.7Very high196 Ų19664.5 Ų64.574%0.7433%0.329SS*.Hα-helixtrans-62.9-29.9169.2-73.7172.6-167.2157.82.6112.5S138 M139 F140S138-R142 WeakPolarHBondContact O-CG 3.44Å; S138-R142 PolarHBondContact O-N 2.65Å; M139-R142 PolarHBondContact O-N 3.47Å; F140-R142 VanDerWaalsContact C-N 3.28Å; F140-R142 PolarHBondContact O-N 2.8Å
143S89.4Confident92.8Very high101 Ų10162.7 Ų62.771%0.70632%0.319SS*.SBendtrans-91.1-8.7177.359.90000114F140 F141F140-S143 PolarHBondContact O-N 3.4Å; F140-S143 PolarHBondContact O-OG 3.41Å; F141-S143 PolarHBondContact O-N 3.42Å
144D89Confident92.8Very high38 Ų3869.4 Ų69.420%0.20335%0.349CS..  trans-136.478.8175.6-166-4.2000110.5F141 K146 W147F141-D144 CarbonylContact O-C 3.57Å; F141-D144 VanDerWaalsContact O-C 3.28Å; F141-D144 PolarHBondContact O-N 2.88Å; D144-K146 PolarHBondContact O-N 2.95Å; D144-K146 VanDerWaalsContact OD1-CD 3.26Å; D144-K146 WeakPolarHBondContact OD1-CD 3.34Å; D144-K146 VanDerWaalsContact OD1-CE 3.24Å; D144-K146 WeakPolarHBondContact OD1-CE 3.07Å; D144-K146 VanDerWaalsContact OD1-CG 3.25Å; D144-K146 WeakPolarHBondContact OD1-CG 3.41Å; D144-K146 IonicContact OD1-NZ 3.68Å; D144-K146 WeakPolarHBondContact OD2-CE 3.45Å; D144-K146 IonicContact OD2-NZ 2.8Å; D144-W147 PolarHBondContact O-N 3.25Å; D144-W147 VanDerWaalsContact O-N 3.17Å
145P89Confident92.7Very high87 Ų8769 Ų6957%0.56535%0.346SS*.THydrogen-bonded Turntrans-70.2-3.1-165.229.2-36.8000114.5W147 K170P145-W147 VanDerWaalsContact C-N 3.27Å; P145-K170 WeakPolarHBondContact O-CD 3.44Å; P145-K170 WeakPolarHBondContact O-CE 3.43Å; P145-K170 PolarHBondContact O-NZ 3.32Å
146K93.6Very high92.6Very high64 Ų6464.5 Ų64.528%0.27833%0.326SS..THydrogen-bonded Turntrans-71.6-24.4173.278.5-164.3176-165.10112.1D144 N169 K170 E171D144-K146 PolarHBondContact O-N 2.95Å; D144-K146 VanDerWaalsContact OD1-CD 3.26Å; D144-K146 WeakPolarHBondContact OD1-CD 3.34Å; D144-K146 VanDerWaalsContact OD1-CE 3.24Å; D144-K146 WeakPolarHBondContact OD1-CE 3.07Å; D144-K146 VanDerWaalsContact OD1-CG 3.25Å; D144-K146 WeakPolarHBondContact OD1-CG 3.41Å; D144-K146 IonicContact OD1-NZ 3.68Å; D144-K146 WeakPolarHBondContact OD2-CE 3.45Å; D144-K146 IonicContact OD2-NZ 2.8Å; K146-N169 CarbonylContact O-C 3.5Å; K146-N169 WeakPolarHBondContact O-CA 3.44Å; K146-K170 WeakPolarHBondContact O-CG 3.48Å; K146-K170 PolarHBondContact O-N 2.7Å; K146-E171 HydrophobicContact CB-CG 4.49Å
147W94.4Very high92.7Very high18 Ų1863.4 Ų63.47%0.06833%0.326CS..EExtended strand (participates in β ladder)trans-92.2140.9178-65.9106.9000112F141 D144 P145 V167 K168 N169 F177 I226F141-W147 HydrophobicContact CD1-CB 3.74Å; F141-W147 HydrophobicContact CD1-CG 4.41Å; F141-W147 HydrophobicContact CD2-CB 3.75Å; F141-W147 HydrophobicContact CE1-CB 3.58Å; F141-W147 AromaticContact CE1-CG 3.95Å; F141-W147 HydrophobicContact CE1-CG 3.95Å; F141-W147 HydrophobicContact CE2-CB 3.59Å; F141-W147 HydrophobicContact CG-CB 3.81Å; F141-W147 HydrophobicContact CZ-CB 3.47Å; F141-W147 VanDerWaalsContact CZ-CB 3.47Å; F141-W147 HydrophobicContact CZ-CG 4.01Å; D144-W147 PolarHBondContact O-N 3.25Å; D144-W147 VanDerWaalsContact O-N 3.17Å; P145-W147 VanDerWaalsContact C-N 3.27Å; W147-V167 HydrophobicContact CE3-CG2 3.91Å; W147-V167 HydrophobicContact CZ3-CG2 4.01Å; W147-K168 WeakPolarHBondContact CA-O 3.42Å; W147-N169 HydrophobicContact CE3-CB 4.02Å; W147-N169 HydrophobicContact CH2-CB 4.04Å; W147-N169 HydrophobicContact CZ3-CB 3.76Å; W147-F177 HydrophobicContact CH2-CD1 4.31Å; W147-F177 HydrophobicContact CH2-CD2 4.07Å; W147-F177 HydrophobicContact CH2-CE2 4.34Å; W147-F177 HydrophobicContact CH2-CG 4.04Å; W147-F177 HydrophobicContact CZ3-CB 4.03Å; W147-F177 HydrophobicContact CZ3-CD1 4.45Å; W147-F177 AromaticContact CZ3-CD2 3.54Å; W147-F177 HydrophobicContact CZ3-CD2 3.54Å; W147-F177 HydrophobicContact CZ3-CE2 4.11Å; W147-F177 AromaticContact CZ3-CG 3.74Å; W147-F177 HydrophobicContact CZ3-CG 3.74Å; W147-I226 HydrophobicContact CD2-CD1 3.81Å; W147-I226 HydrophobicContact CE3-CD1 4.02Å; W147-I226 HydrophobicContact CG-CD1 4.32Å; W147-I226 HydrophobicContact CH2-CD1 4.27Å; W147-I226 HydrophobicContact CH2-CG2 3.77Å; W147-I226 HydrophobicContact CZ2-CD1 4.06Å; W147-I226 HydrophobicContact CZ2-CG2 4.39Å; W147-I226 HydrophobicContact CZ3-CD1 4.23Å; W147-I226 HydrophobicContact CZ3-CG2 3.88Å
148E93.4Very high92.7Very high74 Ų7464.7 Ų64.735%0.34633%0.33SS..EExtended strand (participates in β ladder)trans-142.4135177.1-169.8-176.4136.600110.4Q150 V167 K168 K170E148-Q150 PolarHBondContact O-N 3.45Å; E148-V167 CarbonylContact O-C 3.57Å; E148-V167 VanDerWaalsContact O-CA 3.26Å; E148-V167 WeakPolarHBondContact O-CA 3.46Å; E148-V167 WeakPolarHBondContact O-CB 3.43Å; E148-K168 HydrophobicContact CB-CG 3.97Å; E148-K168 PolarHBondContact N-O 3.31Å; E148-K168 PolarHBondContact O-N 3.44Å; E148-K168 WeakPolarHBondContact OE1-CE 3.33Å; E148-K168 IonicContact OE1-NZ 2.8Å; E148-K168 PolarHBondContact OE1-NZ 3.14Å; E148-K168 WeakPolarHBondContact OE2-CE 3.38Å; E148-K168 IonicContact OE2-NZ 3.58Å; E148-K168 PolarHBondContact OE2-NZ 3.09Å; E148-K170 WeakPolarHBondContact OE2-CE 3.44Å
149V95.1Very high92.8Very high39 Ų3963.2 Ų63.224%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-73.8124.2173.4179.40000109L134 V137 F141 F165 V167L134-V149 HydrophobicContact CD1-CG1 4.46Å; V137-V149 HydrophobicContact CG1-CG2 3.65Å; F141-V149 HydrophobicContact CD2-CG2 4.02Å; F141-V149 HydrophobicContact CE2-CG2 3.92Å; V149-F165 HydrophobicContact CG1-CB 4.36Å; V149-F165 HydrophobicContact CG1-CD1 4.06Å; V149-V167 HydrophobicContact CG2-CG1 4.32Å
150Q93.8Very high93Very high88 Ų8859.2 Ų59.241%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-87.8-54.1173.1-63.9-172.6-50.300110.7E148 L166 K168E148-Q150 PolarHBondContact O-N 3.45Å; Q150-L166 HydrophobicContact CB-CB 4.47Å; Q150-L166 WeakPolarHBondContact CB-O 3.43Å; Q150-L166 PolarHBondContact N-O 3.1Å; Q150-K168 HydrophobicContact CG-CB 4.15Å; Q150-K168 HydrophobicContact CG-CD 4.17Å; Q150-K168 HydrophobicContact CG-CG 3.97Å
151E93.6Very high93.1Very high79 Ų7958.5 Ų58.537%0.36929%0.294SS..EExtended strand (participates in β ladder)trans-155.3146179.658.6178.5177.300111.9L153 F165 L166 R245E151-L153 HydrophobicContact CG-CD2 4.31Å; E151-F165 WeakPolarHBondContact O-CA 3.49Å; E151-L166 HydrophobicContact CG-CB 3.82Å; E151-L166 HydrophobicContact CG-CD2 4.2Å; E151-L166 PolarHBondContact N-O 3.43Å; E151-L166 PolarHBondContact O-N 3.18Å; E151-R245 IonicContact OE1-NH1 3.91Å; E151-R245 PolarHBondContact OE1-NH1 3.35Å; E151-R245 VanDerWaalsContact OE1-NH1 3.13Å
152P95.4Very high93.3Very high75 Ų7557.6 Ų57.649%0.48729%0.29SS..EExtended strand (participates in β ladder)trans-68.2134.116329.6-32.3000109.9F165P152-F165 HydrophobicContact CB-CD1 3.92Å; P152-F165 HydrophobicContact CB-CE1 3.92Å
153L95.2Very high93.6Very high22 Ų2248.6 Ų48.612%0.11526%0.256CS..PPolyproline II helixtrans-92.3155.6176-63.6173.5000110.4E151 M156 Y164 L166 L178 F229E151-L153 HydrophobicContact CG-CD2 4.31Å; L153-M156 HydrophobicContact CB-SD 4.41Å; L153-M156 HydrophobicContact CD1-SD 3.88Å; L153-Y164 PolarHBondContact N-O 3.46Å; L153-L166 HydrophobicContact CD1-CB 4.31Å; L153-L166 HydrophobicContact CD2-CB 4.23Å; L153-L166 HydrophobicContact CG-CB 4.28Å; L153-L178 HydrophobicContact CD1-CD1 3.69Å; L153-F229 HydrophobicContact CD1-CE2 4.31Å
154K93.8Very high94Very high141 Ų14144.6 Ų44.661%0.61323%0.226SC*.PPolyproline II helixtrans-60.7162169.5-65.6-178.4-179.9179.20109.9M156K154-M156 VanDerWaalsContact C-N 3.31Å; K154-M156 WeakPolarHBondContact O-CG 3.36Å; K154-M156 PolarHBondContact O-N 3.37Å
155D92.4Very high94.4Very high58 Ų5842.8 Ų42.831%0.3122%0.216SC..  trans-63.190.2174.7-67.4-37.5000110.4G157 K163 S247 H248D155-G157 VanDerWaalsContact C-N 3.3Å; D155-K163 IonicContact OD1-NZ 3.79Å; D155-K163 PolarHBondContact OD1-NZ 3.43Å; D155-K163 IonicContact OD2-NZ 3.53Å; D155-K163 PolarHBondContact OD2-NZ 3.29Å; D155-S247 CarbonylContact O-C 3.43Å; D155-S247 WeakPolarHBondContact O-CA 3.49Å; D155-H248 WeakPolarHBondContact O-CB 3.45Å; D155-H248 PolarHBondContact O-N 2.94Å
156M92.4Very high94.7Very high30 Ų3038.9 Ų38.915%0.14819%0.19CC..  trans-73.8-23.3-176.1-72.5178.354.800112.8L153 K154 Y164 F229 P244L153-M156 HydrophobicContact CB-SD 4.41Å; L153-M156 HydrophobicContact CD1-SD 3.88Å; K154-M156 VanDerWaalsContact C-N 3.31Å; K154-M156 WeakPolarHBondContact O-CG 3.36Å; K154-M156 PolarHBondContact O-N 3.37Å; M156-Y164 HydrophobicContact CB-CD2 4.41Å; M156-Y164 HydrophobicContact CB-CE2 4.48Å; M156-F229 HydrophobicContact CE-CE2 4.24Å; M156-F229 HydrophobicContact SD-CE2 4.41Å; M156-P244 HydrophobicContact CE-CB 4.1Å; M156-P244 WeakPolarHBondContact CE-O 3.41Å
157G93.9Very high94.8Very high17 Ų1735.8 Ų35.818%0.17518%0.177CC..SBendtrans-116.6175.1176.200000112.4D155 H248D155-G157 VanDerWaalsContact C-N 3.3Å; G157-H248 WeakPolarHBondContact O-CB 3.33Å
158W94.6Very high94.9Very high26 Ų2637.8 Ų37.810%0.09819%0.186CC..SBendtrans-81.6-16.9-17665.8-90000114.5T18 I160 V317T18-W158 HydrophobicContact CG2-CH2 3.46Å; T18-W158 VanDerWaalsContact CG2-CH2 3.46Å; T18-W158 HydrophobicContact CG2-CZ3 3.73Å; W158-I160 PolarHBondContact O-N 3.38Å; W158-V317 HydrophobicContact CD2-CB 4.42Å; W158-V317 HydrophobicContact CD2-CG2 4.16Å; W158-V317 HydrophobicContact CG-CG2 4.39Å; W158-V317 HydrophobicContact CH2-CB 4.49Å; W158-V317 HydrophobicContact CZ2-CB 3.69Å; W158-V317 HydrophobicContact CZ2-CG2 4.27Å
159R94.9Very high94.9Very high15 Ų1534.7 Ų34.76%0.05717%0.172CC..  trans-74.8122.8-174.5-68.2-172.1-175.599.3-11.2111.2K162 H289 N309R159-K162 HydrophobicContact CB-CB 3.82Å; R159-K162 PolarHBondContact O-N 3.3Å; R159-H289 PolarHBondContact NH2-ND1 2.95Å; R159-H289 VanDerWaalsContact NH2-ND1 3.1Å; R159-N309 PolarHBondContact NH1-ND2 3.08Å; R159-N309 PolarHBondContact NH2-ND2 3Å
160I94.8Very high94.8Very high7 Ų738.6 Ų38.64%0.03619%0.186CC..THydrogen-bonded Turntrans-63-49.2-177.6-66.9171.6000111.5L114 K117 Y125 Y129 W158 K162 K163L114-I160 HydrophobicContact CB-CD1 4.46Å; L114-I160 HydrophobicContact CB-CG1 4.21Å; L114-I160 HydrophobicContact CB-CG2 4.28Å; L114-I160 HydrophobicContact CD1-CG2 3.76Å; L114-I160 HydrophobicContact CG-CG2 4.42Å; K117-I160 HydrophobicContact CB-CD1 3.95Å; K117-I160 HydrophobicContact CG-CD1 3.65Å; Y125-I160 HydrophobicContact CD1-CD1 3.96Å; Y125-I160 HydrophobicContact CD1-CG2 4.17Å; Y125-I160 HydrophobicContact CE1-CD1 3.66Å; Y125-I160 HydrophobicContact CE1-CG2 4.5Å; Y129-I160 HydrophobicContact CD2-CG2 4.09Å; Y129-I160 HydrophobicContact CE2-CG2 3.71Å; W158-I160 PolarHBondContact O-N 3.38Å; I160-K162 PolarHBondContact O-N 2.87Å; I160-K163 WeakPolarHBondContact O-CE 3.46Å; I160-K163 PolarHBondContact O-NZ 2.67Å; I160-K163 VanDerWaalsContact O-NZ 3.07Å
161R93.8Very high94.8Very high34 Ų3441 Ų4113%0.12820%0.197CC..THydrogen-bonded Turntrans-88.432.2-178.8-68.3-176.8-88.1-77.33.2113.5L15 D17 Y129 V182 D183L15-R161 PolarHBondContact O-NH2 3.47Å; D17-R161 IonicContact OD1-CZ 3.13Å; D17-R161 IonicContact OD1-NH1 2.69Å; D17-R161 IonicContact OD1-NH2 2.74Å; D17-R161 PolarHBondContact OD1-NH2 2.8Å; D17-R161 IonicContact OD2-CZ 2.69Å; D17-R161 VanDerWaalsContact OD2-CZ 3.28Å; D17-R161 IonicContact OD2-NE 2.63Å; D17-R161 IonicContact OD2-NH1 2.67Å; D17-R161 IonicContact OD2-NH2 2.82Å; D17-R161 PolarHBondContact OD2-NH2 3.26Å; Y129-R161 HydrophobicContact CD1-CG 4.04Å; Y129-R161 HydrophobicContact CE1-CG 3.72Å; R161-V182 WeakPolarHBondContact O-CA 3.46Å; R161-D183 HydrophobicContact CB-CB 3.95Å; R161-D183 WeakPolarHBondContact CB-OD2 3.32Å; R161-D183 WeakPolarHBondContact CD-OD2 3.43Å; R161-D183 WeakPolarHBondContact CG-OD2 3.48Å; R161-D183 PolarHBondContact O-N 3.28Å; R161-D183 VanDerWaalsContact O-N 3.08Å
162K96.2Very high94.7Very high0 Ų041.1 Ų41.10%020%0.198CC..EExtended strand (participates in β ladder)trans-128.2117.2170.4-173167-178.8174.60109.1R159 I160 Y164 W181 V182 D306R159-K162 HydrophobicContact CB-CB 3.82Å; R159-K162 PolarHBondContact O-N 3.3Å; I160-K162 PolarHBondContact O-N 2.87Å; K162-Y164 HydrophobicContact CD-CE1 4.16Å; K162-Y164 WeakPolarHBondContact CD-OH 3.14Å; K162-Y164 HydrophobicContact CG-CE1 4.04Å; K162-Y164 HydrophobicContact CG-CE2 4.29Å; K162-Y164 WeakPolarHBondContact O-CE2 3.47Å; K162-W181 CarbonylContact C-O 3.57Å; K162-W181 VanDerWaalsContact CA-O 3.28Å; K162-W181 WeakPolarHBondContact CA-O 3.39Å; K162-V182 HydrophobicContact CB-CB 4.37Å; K162-V182 HydrophobicContact CB-CG2 4.13Å; K162-V182 HydrophobicContact CD-CB 4.34Å; K162-V182 HydrophobicContact CD-CG2 4.19Å; K162-V182 HydrophobicContact CG-CB 4.06Å; K162-V182 HydrophobicContact CG-CG2 4.18Å; K162-D306 IonicContact NZ-OD1 3.01Å; K162-D306 PolarHBondContact NZ-OD1 3.13Å; K162-D306 IonicContact NZ-OD2 3.72Å; K162-D306 PolarHBondContact NZ-OD2 2.89Å
163K96.9Very high94.3Very high7 Ų742.6 Ų42.63%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-114.4147-178-61-53.5-179.6-155.20111Y129 A133 D155 I160 F165 S180 W181Y129-K163 VanDerWaalsContact CB-CE 3.46Å; A133-K163 HydrophobicContact CB-CB 3.75Å; A133-K163 HydrophobicContact CB-CG 3.97Å; D155-K163 IonicContact OD1-NZ 3.79Å; D155-K163 PolarHBondContact OD1-NZ 3.43Å; D155-K163 IonicContact OD2-NZ 3.53Å; D155-K163 PolarHBondContact OD2-NZ 3.29Å; I160-K163 WeakPolarHBondContact O-CE 3.46Å; I160-K163 PolarHBondContact O-NZ 2.67Å; I160-K163 VanDerWaalsContact O-NZ 3.07Å; K163-F165 HydrophobicContact CB-CE2 4.04Å; K163-F165 HydrophobicContact CB-CZ 4.46Å; K163-S180 CarbonylContact O-C 3.09Å; K163-S180 WeakPolarHBondContact O-CA 3.39Å; K163-W181 HydrophobicContact CB-CE3 4.46Å; K163-W181 HydrophobicContact CG-CE3 4.42Å; K163-W181 PolarHBondContact N-O 2.95Å; K163-W181 PolarHBondContact O-N 3.01Å
164Y97.2Very high94.1Very high17 Ų1751.5 Ų51.57%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-122.9137.6-168.7-55-85.7000109.7L153 M156 K162 L178 L179L153-Y164 PolarHBondContact N-O 3.46Å; M156-Y164 HydrophobicContact CB-CD2 4.41Å; M156-Y164 HydrophobicContact CB-CE2 4.48Å; K162-Y164 HydrophobicContact CD-CE1 4.16Å; K162-Y164 WeakPolarHBondContact CD-OH 3.14Å; K162-Y164 HydrophobicContact CG-CE1 4.04Å; K162-Y164 HydrophobicContact CG-CE2 4.29Å; K162-Y164 WeakPolarHBondContact O-CE2 3.47Å; Y164-L178 HydrophobicContact CD1-CD1 4.16Å; Y164-L178 HydrophobicContact CD1-CD2 4.45Å; Y164-L179 CarbonylContact C-O 3.45Å; Y164-L179 WeakPolarHBondContact CA-O 3.41Å
165F97.1Very high94.1Very high1 Ų149.5 Ų49.50%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-134.3138.8176.9-56.3-96.2000108.7A133 L134 V137 V149 E151 P152 K163 V167 L179 W181A133-F165 HydrophobicContact CB-CE2 3.87Å; A133-F165 HydrophobicContact CB-CZ 3.82Å; L134-F165 HydrophobicContact CB-CE1 4.07Å; L134-F165 HydrophobicContact CB-CZ 4.18Å; L134-F165 HydrophobicContact CD1-CD1 4.37Å; L134-F165 HydrophobicContact CD1-CE1 3.85Å; V137-F165 HydrophobicContact CG2-CD2 4.31Å; V137-F165 HydrophobicContact CG2-CE2 4.1Å; V149-F165 HydrophobicContact CG1-CB 4.36Å; V149-F165 HydrophobicContact CG1-CD1 4.06Å; E151-F165 WeakPolarHBondContact O-CA 3.49Å; P152-F165 HydrophobicContact CB-CD1 3.92Å; P152-F165 HydrophobicContact CB-CE1 3.92Å; K163-F165 HydrophobicContact CB-CE2 4.04Å; K163-F165 HydrophobicContact CB-CZ 4.46Å; F165-V167 HydrophobicContact CB-CG1 4.11Å; F165-L179 HydrophobicContact CB-CB 4.28Å; F165-L179 HydrophobicContact CB-CD2 4.37Å; F165-L179 HydrophobicContact CD2-CD2 3.57Å; F165-L179 HydrophobicContact CE2-CD2 4.32Å; F165-L179 HydrophobicContact CG-CD2 4.35Å; F165-L179 PolarHBondContact N-O 2.57Å; F165-L179 PolarHBondContact O-N 3.34Å; F165-W181 HydrophobicContact CE2-CB 4.46Å
166L96.3Very high94.1Very high4 Ų452.6 Ų52.62%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-80.2125.9165.1-166.967.8000107.4Q150 E151 L153 R176 F229Q150-L166 HydrophobicContact CB-CB 4.47Å; Q150-L166 WeakPolarHBondContact CB-O 3.43Å; Q150-L166 PolarHBondContact N-O 3.1Å; E151-L166 HydrophobicContact CG-CB 3.82Å; E151-L166 HydrophobicContact CG-CD2 4.2Å; E151-L166 PolarHBondContact N-O 3.43Å; E151-L166 PolarHBondContact O-N 3.18Å; L153-L166 HydrophobicContact CD1-CB 4.31Å; L153-L166 HydrophobicContact CD2-CB 4.23Å; L153-L166 HydrophobicContact CG-CB 4.28Å; L166-R176 HydrophobicContact CD1-CB 4.13Å; L166-F229 HydrophobicContact CD1-CB 4.28Å; L166-F229 HydrophobicContact CD1-CD1 4.09Å; L166-F229 HydrophobicContact CD1-CD2 4.24Å; L166-F229 HydrophobicContact CD1-CG 3.94Å
167V96.5Very high94.3Very high0 Ų051.2 Ų51.20%024%0.238CC..EExtended strand (participates in β ladder)trans-128.8152.9-178.7-51.90000110.5F141 W147 E148 V149 F165 F177 L179 I226F141-V167 HydrophobicContact CE2-CB 4.31Å; F141-V167 HydrophobicContact CE2-CG1 3.97Å; F141-V167 HydrophobicContact CZ-CG1 4.23Å; W147-V167 HydrophobicContact CE3-CG2 3.91Å; W147-V167 HydrophobicContact CZ3-CG2 4.01Å; E148-V167 CarbonylContact O-C 3.57Å; E148-V167 VanDerWaalsContact O-CA 3.26Å; E148-V167 WeakPolarHBondContact O-CA 3.46Å; E148-V167 WeakPolarHBondContact O-CB 3.43Å; V149-V167 HydrophobicContact CG2-CG1 4.32Å; F165-V167 HydrophobicContact CB-CG1 4.11Å; V167-F177 HydrophobicContact CG2-CB 3.69Å; V167-F177 PolarHBondContact N-O 3.01Å; V167-F177 PolarHBondContact O-N 3.22Å; V167-L179 HydrophobicContact CG1-CB 3.59Å; V167-L179 HydrophobicContact CG1-CD1 4.05Å; V167-L179 HydrophobicContact CG1-CG 4.46Å; V167-L179 HydrophobicContact CG2-CB 4.07Å; V167-I226 HydrophobicContact CG2-CG2 4.15Å
168K94.9Very high94.5Very high59 Ų5951.4 Ų51.426%0.25724%0.235SC..EExtended strand (participates in β ladder)trans-115.8147.8173.862.2178.7177.4-177.90110.2W147 E148 Q150W147-K168 WeakPolarHBondContact CA-O 3.42Å; E148-K168 HydrophobicContact CB-CG 3.97Å; E148-K168 PolarHBondContact N-O 3.31Å; E148-K168 PolarHBondContact O-N 3.44Å; E148-K168 WeakPolarHBondContact OE1-CE 3.33Å; E148-K168 IonicContact OE1-NZ 2.8Å; E148-K168 PolarHBondContact OE1-NZ 3.14Å; E148-K168 WeakPolarHBondContact OE2-CE 3.38Å; E148-K168 IonicContact OE2-NZ 3.58Å; E148-K168 PolarHBondContact OE2-NZ 3.09Å; Q150-K168 HydrophobicContact CG-CB 4.15Å; Q150-K168 HydrophobicContact CG-CD 4.17Å; Q150-K168 HydrophobicContact CG-CG 3.97Å
169N94.7Very high94.6Very high9 Ų950.1 Ų50.15%0.04823%0.23CC..EExtended strand (participates in β ladder)trans-98.2124.6163.9-176-17.1000107.8K146 W147 E171 Q172 F177K146-N169 CarbonylContact O-C 3.5Å; K146-N169 WeakPolarHBondContact O-CA 3.44Å; W147-N169 HydrophobicContact CE3-CB 4.02Å; W147-N169 HydrophobicContact CH2-CB 4.04Å; W147-N169 HydrophobicContact CZ3-CB 3.76Å; N169-E171 PolarHBondContact O-N 2.88Å; N169-E171 WeakPolarHBondContact OD1-CB 3.42Å; N169-E171 PolarHBondContact OD1-N 3.19Å; N169-Q172 HydrophobicContact CB-CB 4.28Å; N169-Q172 CarbonylContact O-C 3.28Å; N169-Q172 PolarHBondContact O-N 2.95Å; N169-F177 HydrophobicContact CB-CD2 4.42Å; N169-F177 HydrophobicContact CB-CE2 3.87Å
170K92.8Very high94.7Very high121 Ų12149.4 Ų49.453%0.52623%0.228SC..THydrogen-bonded Turntrans-59.8-26.9178.7-69.3176.6-175.5163.80112.6P145 K146 E148 Q172P145-K170 WeakPolarHBondContact O-CD 3.44Å; P145-K170 WeakPolarHBondContact O-CE 3.43Å; P145-K170 PolarHBondContact O-NZ 3.32Å; K146-K170 WeakPolarHBondContact O-CG 3.48Å; K146-K170 PolarHBondContact O-N 2.7Å; E148-K170 WeakPolarHBondContact OE2-CE 3.44Å; K170-Q172 VanDerWaalsContact C-N 3.34Å
171E93.3Very high94.9Very high138 Ų13849.2 Ų49.265%0.64523%0.226SC*.THydrogen-bonded Turntrans-78.3-20.1176.1-59167.4173.400112.2K146 N169K146-E171 HydrophobicContact CB-CG 4.49Å; N169-E171 PolarHBondContact O-N 2.88Å; N169-E171 WeakPolarHBondContact OD1-CB 3.42Å; N169-E171 PolarHBondContact OD1-N 3.19Å
172Q92.6Very high95Very high83 Ų8347.7 Ų47.739%0.38822%0.221SC..EExtended strand (participates in β ladder)trans-130.464.9-178.8-64.1174.2-26.500110.6N169 K170 K174 E175 F177N169-Q172 HydrophobicContact CB-CB 4.28Å; N169-Q172 CarbonylContact O-C 3.28Å; N169-Q172 PolarHBondContact O-N 2.95Å; K170-Q172 VanDerWaalsContact C-N 3.34Å; Q172-K174 PolarHBondContact O-N 3.26Å; Q172-K174 VanDerWaalsContact O-N 3.1Å; Q172-E175 HydrophobicContact CB-CB 4.35Å; Q172-E175 PolarHBondContact O-N 3.02Å; Q172-E175 VanDerWaalsContact O-N 3.08Å; Q172-F177 VanDerWaalsContact OE1-CZ 3.25Å
173P87.1Confident94.9Very high105 Ų10549.4 Ų49.468%0.68223%0.23SC*.EExtended strand (participates in β ladder)trans-67.8-17.6-166.627-36.3000114.6
174K91.1Very high94.9Very high209 Ų20949.4 Ų49.491%0.90923%0.23SC*.EExtended strand (participates in β ladder)trans-85.4-18.2177.8-65.5-175.9-179.8178.70112.9Q172Q172-K174 PolarHBondContact O-N 3.26Å; Q172-K174 VanDerWaalsContact O-N 3.1Å
175E92.5Very high94.7Very high100 Ų10048.8 Ų48.847%0.46723%0.23SC..EExtended strand (participates in β ladder)trans-92.1149.4-178.3-66.4-171.7-158.100111.1Q172 F177Q172-E175 HydrophobicContact CB-CB 4.35Å; Q172-E175 PolarHBondContact O-N 3.02Å; Q172-E175 VanDerWaalsContact O-N 3.08Å; E175-F177 HydrophobicContact CB-CE1 4.39Å; E175-F177 HydrophobicContact CB-CE2 3.69Å; E175-F177 HydrophobicContact CB-CZ 3.54Å; E175-F177 HydrophobicContact CG-CZ 4.49Å; E175-F177 WeakPolarHBondContact OE2-CZ 3.36Å
176R93.6Very high94.5Very high122 Ų12250 Ų5046%0.4624%0.238SC..EExtended strand (participates in β ladder)trans-119.4137.8177.3-69.2-179.9-179.4172.3-0.9108.9L166 F229 E231 R245L166-R176 HydrophobicContact CD1-CB 4.13Å; R176-F229 HydrophobicContact CB-CB 4.19Å; R176-F229 WeakPolarHBondContact O-CB 3.44Å; R176-F229 PolarHBondContact O-N 3.04Å; R176-E231 IonicContact CZ-OE1 2.69Å; R176-E231 IonicContact NH1-OE1 3.58Å; R176-E231 PolarHBondContact NH1-OE1 3.15Å; R176-R245 VanDerWaalsContact NH1-NH2 3.15Å
177F96.5Very high94.4Very high1 Ų150.2 Ų50.20%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-123.7144.9-176.4-56.5-82.7000111W147 V167 N169 Q172 E175 L214 I226 R227W147-F177 HydrophobicContact CH2-CD1 4.31Å; W147-F177 HydrophobicContact CH2-CD2 4.07Å; W147-F177 HydrophobicContact CH2-CE2 4.34Å; W147-F177 HydrophobicContact CH2-CG 4.04Å; W147-F177 HydrophobicContact CZ3-CB 4.03Å; W147-F177 HydrophobicContact CZ3-CD1 4.45Å; W147-F177 AromaticContact CZ3-CD2 3.54Å; W147-F177 HydrophobicContact CZ3-CD2 3.54Å; W147-F177 HydrophobicContact CZ3-CE2 4.11Å; W147-F177 AromaticContact CZ3-CG 3.74Å; W147-F177 HydrophobicContact CZ3-CG 3.74Å; V167-F177 HydrophobicContact CG2-CB 3.69Å; V167-F177 PolarHBondContact N-O 3.01Å; V167-F177 PolarHBondContact O-N 3.22Å; N169-F177 HydrophobicContact CB-CD2 4.42Å; N169-F177 HydrophobicContact CB-CE2 3.87Å; Q172-F177 VanDerWaalsContact OE1-CZ 3.25Å; E175-F177 HydrophobicContact CB-CE1 4.39Å; E175-F177 HydrophobicContact CB-CE2 3.69Å; E175-F177 HydrophobicContact CB-CZ 3.54Å; E175-F177 HydrophobicContact CG-CZ 4.49Å; E175-F177 WeakPolarHBondContact OE2-CZ 3.36Å; F177-L214 HydrophobicContact CD1-CD1 3.51Å; F177-L214 HydrophobicContact CE1-CD1 3.41Å; F177-L214 VanDerWaalsContact CE1-CD1 3.41Å; F177-I226 HydrophobicContact CB-CG2 3.66Å; F177-I226 HydrophobicContact CD1-CG2 4.49Å; F177-I226 HydrophobicContact CG-CG2 4.28Å; F177-R227 CarbonylContact C-O 3.55Å; F177-R227 VanDerWaalsContact CA-O 3.26Å; F177-R227 WeakPolarHBondContact CA-O 3.2Å; F177-R227 WeakPolarHBondContact CB-O 2.97Å
178L96.9Very high94.3Very high21 Ų2152.6 Ų52.611%0.1125%0.249CC..EExtended strand (participates in β ladder)trans-93.4114.1171-176.361.9000108.5L153 Y164 I226 R227 F229L153-L178 HydrophobicContact CD1-CD1 3.69Å; Y164-L178 HydrophobicContact CD1-CD1 4.16Å; Y164-L178 HydrophobicContact CD1-CD2 4.45Å; L178-I226 WeakPolarHBondContact O-CA 3.49Å; L178-R227 PolarHBondContact N-O 2.97Å; L178-R227 PolarHBondContact O-N 2.75Å; L178-F229 HydrophobicContact CB-CB 4.42Å; L178-F229 HydrophobicContact CB-CD2 4.12Å; L178-F229 HydrophobicContact CD1-CD2 4.28Å
179L97.5Very high94.3Very high0 Ų053.5 Ų53.50%025%0.253CS..EExtended strand (participates in β ladder)trans-90130.8163.9-176.9153000109.2V137 F141 Y164 F165 V167 W181 L224 L225 I226V137-L179 HydrophobicContact CG1-CD1 3.74Å; V137-L179 HydrophobicContact CG1-CD2 4.31Å; V137-L179 HydrophobicContact CG2-CD1 4.24Å; V137-L179 HydrophobicContact CG2-CD2 3.53Å; F141-L179 HydrophobicContact CE1-CD1 3.83Å; F141-L179 HydrophobicContact CE2-CD1 4.03Å; F141-L179 HydrophobicContact CZ-CD1 3.27Å; Y164-L179 CarbonylContact C-O 3.45Å; Y164-L179 WeakPolarHBondContact CA-O 3.41Å; F165-L179 HydrophobicContact CB-CB 4.28Å; F165-L179 HydrophobicContact CB-CD2 4.37Å; F165-L179 HydrophobicContact CD2-CD2 3.57Å; F165-L179 HydrophobicContact CE2-CD2 4.32Å; F165-L179 HydrophobicContact CG-CD2 4.35Å; F165-L179 PolarHBondContact N-O 2.57Å; F165-L179 PolarHBondContact O-N 3.34Å; V167-L179 HydrophobicContact CG1-CB 3.59Å; V167-L179 HydrophobicContact CG1-CD1 4.05Å; V167-L179 HydrophobicContact CG1-CG 4.46Å; V167-L179 HydrophobicContact CG2-CB 4.07Å; L179-W181 HydrophobicContact CD2-CB 4.38Å; L179-L224 HydrophobicContact CD1-CD1 4.03Å; L179-L224 HydrophobicContact CD1-CD2 3.68Å; L179-L224 HydrophobicContact CD1-CG 3.9Å; L179-L224 HydrophobicContact CD2-CG 4.24Å; L179-L224 HydrophobicContact CG-CD2 4.09Å; L179-L224 HydrophobicContact CG-CG 4.13Å; L179-L225 CarbonylContact C-O 3.6Å; L179-L225 VanDerWaalsContact CA-O 3.3Å; L179-L225 WeakPolarHBondContact CA-O 3.48Å; L179-I226 HydrophobicContact CB-CG1 4.29Å; L179-I226 HydrophobicContact CD1-CD1 4.2Å; L179-I226 HydrophobicContact CD1-CG1 4.12Å; L179-I226 HydrophobicContact CG-CG1 4.2Å
180S97.3Very high94.3Very high0 Ų053.6 Ų53.60%025%0.253CS..EExtended strand (participates in β ladder)trans-114.5124168.6-60.60000109.6K163 L224 L225K163-S180 CarbonylContact O-C 3.09Å; K163-S180 WeakPolarHBondContact O-CA 3.39Å; S180-L224 WeakPolarHBondContact O-CA 3.35Å; S180-L225 PolarHBondContact N-O 2.75Å; S180-L225 PolarHBondContact O-N 3.4Å
181W97.6Very high94.4Very high2 Ų250.3 Ų50.31%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-101.3131.1165.5179.688.9000108.6I132 A133 V137 K162 K163 F165 L179 D183 S222 A223I132-W181 HydrophobicContact CG2-CH2 4.06Å; I132-W181 HydrophobicContact CG2-CZ2 4.1Å; A133-W181 HydrophobicContact CB-CB 4.04Å; A133-W181 HydrophobicContact CB-CD2 3.58Å; A133-W181 HydrophobicContact CB-CE3 3.51Å; A133-W181 HydrophobicContact CB-CG 3.82Å; A133-W181 HydrophobicContact CB-CZ3 4.18Å; V137-W181 HydrophobicContact CG2-CB 4.28Å; K162-W181 CarbonylContact C-O 3.57Å; K162-W181 VanDerWaalsContact CA-O 3.28Å; K162-W181 WeakPolarHBondContact CA-O 3.39Å; K163-W181 HydrophobicContact CB-CE3 4.46Å; K163-W181 HydrophobicContact CG-CE3 4.42Å; K163-W181 PolarHBondContact N-O 2.95Å; K163-W181 PolarHBondContact O-N 3.01Å; F165-W181 HydrophobicContact CE2-CB 4.46Å; L179-W181 HydrophobicContact CD2-CB 4.38Å; W181-D183 WeakPolarHBondContact CH2-OD1 3.23Å; W181-D183 WeakPolarHBondContact CZ2-OD1 3.46Å; W181-S222 PolarHBondContact NE1-OG 3.13Å; W181-A223 WeakPolarHBondContact CA-O 3.37Å
182V96.6Very high94.4Very high2 Ų247.2 Ų47.21%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-144133.7-173.160.40000111.3R161 K162 S222 A223 L225 L312 V314R161-V182 WeakPolarHBondContact O-CA 3.46Å; K162-V182 HydrophobicContact CB-CB 4.37Å; K162-V182 HydrophobicContact CB-CG2 4.13Å; K162-V182 HydrophobicContact CD-CB 4.34Å; K162-V182 HydrophobicContact CD-CG2 4.19Å; K162-V182 HydrophobicContact CG-CB 4.06Å; K162-V182 HydrophobicContact CG-CG2 4.18Å; V182-S222 CarbonylContact O-C 3.22Å; V182-S222 WeakPolarHBondContact O-CA 3.43Å; V182-S222 WeakPolarHBondContact O-CB 3.36Å; V182-A223 HydrophobicContact CG1-CB 3.99Å; V182-A223 PolarHBondContact N-O 2.83Å; V182-A223 PolarHBondContact O-N 3.05Å; V182-L225 HydrophobicContact CG1-CD1 4.22Å; V182-L312 HydrophobicContact CG1-CD1 3.66Å; V182-V314 HydrophobicContact CG2-CG1 3.95Å
183D94.9Very high94.5Very high36 Ų3649.5 Ų49.519%0.19324%0.242CC..EExtended strand (participates in β ladder)trans-69.3143.3170.1-75.1-24.6000110.5R161 W181 S221 V314R161-D183 HydrophobicContact CB-CB 3.95Å; R161-D183 WeakPolarHBondContact CB-OD2 3.32Å; R161-D183 WeakPolarHBondContact CD-OD2 3.43Å; R161-D183 WeakPolarHBondContact CG-OD2 3.48Å; R161-D183 PolarHBondContact O-N 3.28Å; R161-D183 VanDerWaalsContact O-N 3.08Å; W181-D183 WeakPolarHBondContact CH2-OD1 3.23Å; W181-D183 WeakPolarHBondContact CZ2-OD1 3.46Å; D183-S221 WeakPolarHBondContact CA-O 3.32Å; D183-V314 WeakPolarHBondContact O-CG1 3.42Å
184L95.2Very high94.9Very high7 Ų745.6 Ų45.64%0.03722%0.216CC..  trans-64.5144.3170.6-58.5178.2000109.2L14 K188 L195 S221 A223 L312L14-L184 HydrophobicContact CD1-CB 4.4Å; L14-L184 WeakPolarHBondContact CD1-O 3.46Å; L184-K188 HydrophobicContact CB-CB 4.45Å; L184-K188 HydrophobicContact CB-CG 4.38Å; L184-K188 HydrophobicContact CD1-CD 3.85Å; L184-K188 HydrophobicContact CD1-CG 4.3Å; L184-L195 HydrophobicContact CD2-CD2 4.15Å; L184-S221 PolarHBondContact N-O 3.39Å; L184-A223 HydrophobicContact CD2-CB 4.46Å; L184-L312 HydrophobicContact CD2-CB 4.39Å; L184-L312 HydrophobicContact CD2-CD2 3.71Å
185G94.7Very high95.1Very high5 Ų535.6 Ų35.65%0.05217%0.172CC..  trans-104.5173.8-176.400000114.2L14 D187 K188 L312 G313L14-G185 WeakPolarHBondContact CD1-O 3.26Å; G185-D187 PolarHBondContact O-N 2.95Å; G185-D187 VanDerWaalsContact O-N 3.1Å; G185-K188 VanDerWaalsContact O-CB 3.27Å; G185-K188 WeakPolarHBondContact O-CB 3.4Å; G185-K188 PolarHBondContact O-N 3.01Å; G185-L312 PolarHBondContact N-O 3.31Å; G185-G313 CarbonylContact C-O 3.56Å; G185-G313 WeakPolarHBondContact CA-O 3.42Å
186P93.1Very high95.2Very high27 Ų2733 Ų3318%0.17516%0.16CC..THydrogen-bonded Turntrans-60.3-20.8-176.421.3-31.9000114.8L14 D16 K188L14-P186 HydrophobicContact CB-CB 4.3Å; L14-P186 WeakPolarHBondContact O-CB 3.23Å; D16-P186 HydrophobicContact CB-CG 4.09Å; P186-K188 VanDerWaalsContact C-N 3.31Å
187D94.1Very high95.2Very high8 Ų829.4 Ų29.44%0.04315%0.154CC..THydrogen-bonded Turntrans-92.716.9178.9-66.4-36.3000112.8G185 F189 G313 R319 L427 R430G185-D187 PolarHBondContact O-N 2.95Å; G185-D187 VanDerWaalsContact O-N 3.1Å; D187-F189 VanDerWaalsContact C-N 3.29Å; D187-F189 HydrophobicContact CB-CD2 4.43Å; D187-F189 HydrophobicContact CB-CE2 3.84Å; D187-F189 HydrophobicContact CB-CZ 4.44Å; D187-F189 WeakPolarHBondContact O-CD2 3.31Å; D187-F189 PolarHBondContact O-N 3.22Å; D187-G313 WeakPolarHBondContact CB-O 3.28Å; D187-G313 PolarHBondContact N-O 3.48Å; D187-G313 WeakPolarHBondContact O-CA 3.48Å; D187-R319 IonicContact OD2-CZ 2.7Å; D187-R319 IonicContact OD2-NH1 3.82Å; D187-R319 PolarHBondContact OD2-NH1 3.25Å; D187-R319 IonicContact OD2-NH2 3.72Å; D187-L427 HydrophobicContact CB-CD1 4.31Å; D187-R430 WeakPolarHBondContact OD1-CD 3.31Å; D187-R430 IonicContact OD1-CZ 3.64Å; D187-R430 IonicContact OD1-NE 3.01Å; D187-R430 IonicContact OD1-NH1 3.4Å; D187-R430 PolarHBondContact OD1-NH1 2.95Å; D187-R430 IonicContact OD2-NH1 3.59Å; D187-R430 PolarHBondContact OD2-NH1 2.93Å
188K94.2Very high95.1Very high49 Ų4929.5 Ų29.521%0.21315%0.154CC..  trans-78.580.9179.6-173.1-114.3176.4-175.20109.6L184 G185 P186 L190 D192L184-K188 HydrophobicContact CB-CB 4.45Å; L184-K188 HydrophobicContact CB-CG 4.38Å; L184-K188 HydrophobicContact CD1-CD 3.85Å; L184-K188 HydrophobicContact CD1-CG 4.3Å; G185-K188 VanDerWaalsContact O-CB 3.27Å; G185-K188 WeakPolarHBondContact O-CB 3.4Å; G185-K188 PolarHBondContact O-N 3.01Å; P186-K188 VanDerWaalsContact C-N 3.31Å; K188-L190 WeakPolarHBondContact CE-O 3.41Å; K188-L190 PolarHBondContact NZ-O 3.33Å; K188-D192 IonicContact NZ-OD1 3.63Å; K188-D192 PolarHBondContact NZ-OD1 3.5Å
189F94.5Very high95Very high79 Ų7928.5 Ų28.535%0.34615%0.149SC..  trans-89.8-11.2-178.2-59.3-60.3000114D187 A423 L427D187-F189 VanDerWaalsContact C-N 3.29Å; D187-F189 HydrophobicContact CB-CD2 4.43Å; D187-F189 HydrophobicContact CB-CE2 3.84Å; D187-F189 HydrophobicContact CB-CZ 4.44Å; D187-F189 WeakPolarHBondContact O-CD2 3.31Å; D187-F189 PolarHBondContact O-N 3.22Å; F189-A423 HydrophobicContact CB-CB 3.83Å; F189-A423 WeakPolarHBondContact CD2-O 3.24Å; F189-L427 HydrophobicContact CD2-CB 4.2Å; F189-L427 HydrophobicContact CE2-CB 3.83Å
190L94.8Very high94.8Very high10 Ų1035 Ų355%0.05218%0.177CC..SBendtrans-76.9143.9175.6-67.8173.4000111.1K188 D194 L195 A198 M311 A419 L420 A423K188-L190 WeakPolarHBondContact CE-O 3.41Å; K188-L190 PolarHBondContact NZ-O 3.33Å; L190-D194 HydrophobicContact CD2-CB 4.21Å; L190-L195 HydrophobicContact CB-CB 4.1Å; L190-L195 HydrophobicContact CD1-CD1 4.25Å; L190-A198 HydrophobicContact CD1-CB 4.36Å; L190-M311 HydrophobicContact CD1-CB 4.03Å; L190-M311 HydrophobicContact CD1-CG 4.25Å; L190-A419 HydrophobicContact CD2-CB 4.12Å; L190-L420 HydrophobicContact CD1-CD2 4.1Å; L190-L420 HydrophobicContact CD2-CD2 4.32Å; L190-A423 HydrophobicContact CD2-CB 3.81Å; L190-A423 HydrophobicContact CG-CB 4.05Å
191S94.4Very high94.4Very high53 Ų5336.3 Ų36.337%0.37118%0.184SC..  trans-63.5157164.979.10000110.3K193 D194 L195S191-K193 PolarHBondContact O-N 3.1Å; S191-D194 PolarHBondContact O-N 3.23Å; S191-D194 VanDerWaalsContact O-N 3.14Å; S191-D194 WeakPolarHBondContact OG-CB 3.46Å; S191-D194 PolarHBondContact OG-N 3.45Å; S191-D194 VanDerWaalsContact OG-N 3.16Å; S191-D194 PolarHBondContact OG-OD2 3.12Å; S191-L195 WeakPolarHBondContact O-CB 3.31Å; S191-L195 PolarHBondContact O-N 3.32Å
192D93.8Very high94Very high73 Ų7336.5 Ų36.539%0.3919%0.186SC..Hα-helixtrans-57.5-38.5179.5-64.4-17.6000112.1K188 Q196K188-D192 IonicContact NZ-OD1 3.63Å; K188-D192 PolarHBondContact NZ-OD1 3.5Å; D192-Q196 WeakPolarHBondContact O-CB 3.22Å; D192-Q196 PolarHBondContact O-N 3.06Å
193K94Very high93.6Very high130 Ų13038.6 Ų38.657%0.56520%0.2SC*.Hα-helixtrans-65.4-45177.6-177179.4178.81770112S191 S197S191-K193 PolarHBondContact O-N 3.1Å; K193-S197 WeakPolarHBondContact O-CB 3.25Å; K193-S197 PolarHBondContact O-N 3.49Å; K193-S197 VanDerWaalsContact O-N 3.08Å; K193-S197 PolarHBondContact O-OG 3.1Å
194D95.6Very high93Very high23 Ų2340.1 Ų40.112%0.12321%0.208CC..Hα-helixtrans-72.1-37.2-179.4-61.4-43.6000110.8L190 S191 S197 A198 L416 A419L190-D194 HydrophobicContact CD2-CB 4.21Å; S191-D194 PolarHBondContact O-N 3.23Å; S191-D194 VanDerWaalsContact O-N 3.14Å; S191-D194 WeakPolarHBondContact OG-CB 3.46Å; S191-D194 PolarHBondContact OG-N 3.45Å; S191-D194 VanDerWaalsContact OG-N 3.16Å; S191-D194 PolarHBondContact OG-OD2 3.12Å; D194-S197 WeakPolarHBondContact O-CB 3.29Å; D194-S197 PolarHBondContact O-N 3Å; D194-A198 WeakPolarHBondContact O-CB 3.5Å; D194-A198 PolarHBondContact O-N 2.8Å; D194-L416 HydrophobicContact CB-CD1 4.02Å; D194-L416 WeakPolarHBondContact O-CD1 3.32Å; D194-A419 HydrophobicContact CB-CB 4.14Å
195L95.6Very high91.8Very high0 Ų045 Ų450%024%0.241CC..Hα-helixtrans-60.1-51.1173.8178.659.7000111.3L184 L190 S191 S197 A198 L199 T218 M311 L312L184-L195 HydrophobicContact CD2-CD2 4.15Å; L190-L195 HydrophobicContact CB-CB 4.1Å; L190-L195 HydrophobicContact CD1-CD1 4.25Å; S191-L195 WeakPolarHBondContact O-CB 3.31Å; S191-L195 PolarHBondContact O-N 3.32Å; L195-S197 PolarHBondContact O-N 3.18Å; L195-A198 PolarHBondContact O-N 2.99Å; L195-A198 VanDerWaalsContact O-N 3.11Å; L195-L199 HydrophobicContact CD1-CD1 4.4Å; L195-L199 HydrophobicContact CD1-CG 4.28Å; L195-L199 HydrophobicContact CG-CD1 4.29Å; L195-L199 WeakPolarHBondContact O-CG 3.45Å; L195-L199 PolarHBondContact O-N 2.69Å; L195-T218 HydrophobicContact CD2-CG2 3.87Å; L195-T218 HydrophobicContact CG-CG2 4.08Å; L195-M311 HydrophobicContact CD1-CB 3.78Å; L195-M311 WeakPolarHBondContact CD1-O 3.26Å; L195-L312 HydrophobicContact CD1-CD2 4.3Å; L195-L312 HydrophobicContact CD2-CD2 4.33Å
196Q94.6Very high90.8Very high46 Ų4648.8 Ų48.822%0.21527%0.266CS..Hα-helixtrans-59.9-36.4176.7-173.46941.800111.6D192 K200 S216 T218D192-Q196 WeakPolarHBondContact O-CB 3.22Å; D192-Q196 PolarHBondContact O-N 3.06Å; Q196-K200 WeakPolarHBondContact O-CG 3.39Å; Q196-K200 PolarHBondContact O-N 3.37Å; Q196-S216 PolarHBondContact NE2-O 2.86Å; Q196-T218 PolarHBondContact OE1-OG1 3.32Å
197S94.4Very high90.2Very high46 Ų4648.2 Ų48.232%0.32226%0.261SS..Hα-helixtrans-67.9-38.6176-57.50000112.1K193 D194 L195 K200 L201K193-S197 WeakPolarHBondContact O-CB 3.25Å; K193-S197 PolarHBondContact O-N 3.49Å; K193-S197 VanDerWaalsContact O-N 3.08Å; K193-S197 PolarHBondContact O-OG 3.1Å; D194-S197 WeakPolarHBondContact O-CB 3.29Å; D194-S197 PolarHBondContact O-N 3Å; L195-S197 PolarHBondContact O-N 3.18Å; S197-K200 PolarHBondContact O-N 2.96Å; S197-L201 PolarHBondContact O-N 3.1Å
198A94.4Very high89.6Confident2 Ų249 Ų492%0.01727%0.269CS..Hα-helixtrans-70.5-40.4178.300000112.4L190 D194 L195 K200 L201 M311 L416 L420L190-A198 HydrophobicContact CD1-CB 4.36Å; D194-A198 WeakPolarHBondContact O-CB 3.5Å; D194-A198 PolarHBondContact O-N 2.8Å; L195-A198 PolarHBondContact O-N 2.99Å; L195-A198 VanDerWaalsContact O-N 3.11Å; A198-K200 VanDerWaalsContact C-N 3.3Å; A198-K200 PolarHBondContact O-N 3.07Å; A198-L201 WeakPolarHBondContact O-CB 3.46Å; A198-L201 PolarHBondContact O-N 3.38Å; A198-L201 VanDerWaalsContact O-N 3.12Å; A198-M311 HydrophobicContact CB-CE 4.44Å; A198-M311 HydrophobicContact CB-SD 3.34Å; A198-M311 WeakPolarHBondContact CB-SD 3.37Å; A198-L416 HydrophobicContact CB-CD1 4.23Å; A198-L416 HydrophobicContact CB-CD2 4.29Å; A198-L420 HydrophobicContact CB-CD2 4.49Å
199L94.3Very high89.5Confident0 Ų047 Ų470%026%0.26CS..Hα-helixtrans-60.7-39.2174.1-68.1175.4000112L195 L201 L202 L213 T218 L225 E308 M311L195-L199 HydrophobicContact CD1-CD1 4.4Å; L195-L199 HydrophobicContact CD1-CG 4.28Å; L195-L199 HydrophobicContact CG-CD1 4.29Å; L195-L199 WeakPolarHBondContact O-CG 3.45Å; L195-L199 PolarHBondContact O-N 2.69Å; L199-L201 PolarHBondContact O-N 3.24Å; L199-L202 WeakPolarHBondContact O-CB 3.41Å; L199-L202 PolarHBondContact O-N 2.7Å; L199-L213 HydrophobicContact CD2-CD2 4.3Å; L199-T218 HydrophobicContact CD1-CG2 3.41Å; L199-T218 VanDerWaalsContact CD1-CG2 3.41Å; L199-L225 HydrophobicContact CD2-CD2 4.49Å; L199-E308 HydrophobicContact CD2-CB 3.38Å; L199-E308 HydrophobicContact CD2-CG 3.89Å; L199-M311 HydrophobicContact CD2-CE 4.24Å
200K92.1Very high89.3Confident136 Ų13643.6 Ų43.659%0.59125%0.245SC*.Hα-helixtrans-61-29175.5-75.7176.3179.9-175.70113.4Q196 S197 A198 L202 S203Q196-K200 WeakPolarHBondContact O-CG 3.39Å; Q196-K200 PolarHBondContact O-N 3.37Å; S197-K200 PolarHBondContact O-N 2.96Å; A198-K200 VanDerWaalsContact C-N 3.3Å; A198-K200 PolarHBondContact O-N 3.07Å; K200-L202 VanDerWaalsContact C-N 3.26Å; K200-L202 PolarHBondContact O-N 2.8Å; K200-S203 WeakPolarHBondContact O-CB 3.46Å; K200-S203 PolarHBondContact O-N 2.59Å
201L90.5Very high89.1Confident28 Ų2844.1 Ų44.115%0.14725%0.25CC..Hα-helixtrans-64.4-34.3174.7-63.3175.6000111.7S197 A198 L199 S203 N204 I410 V412 L416S197-L201 PolarHBondContact O-N 3.1Å; A198-L201 WeakPolarHBondContact O-CB 3.46Å; A198-L201 PolarHBondContact O-N 3.38Å; A198-L201 VanDerWaalsContact O-N 3.12Å; L199-L201 PolarHBondContact O-N 3.24Å; L201-S203 PolarHBondContact O-N 3.22Å; L201-N204 WeakPolarHBondContact O-CB 3.4Å; L201-N204 PolarHBondContact O-N 2.84Å; L201-I410 HydrophobicContact CB-CG2 4.32Å; L201-I410 HydrophobicContact CD1-CG2 4.42Å; L201-V412 HydrophobicContact CD1-CG1 4.22Å; L201-V412 HydrophobicContact CD1-CG2 4.05Å; L201-L416 HydrophobicContact CD1-CD2 3.62Å; L201-L416 HydrophobicContact CG-CD2 4.27Å
202L89.4Confident88.8Confident7 Ų743.5 Ų43.54%0.03724%0.244CC..THydrogen-bonded Turntrans-76.2-10.1-179.6-61.6-177.9000113.7L199 K200 N204 M207 L213 V307 E308 M311L199-L202 WeakPolarHBondContact O-CB 3.41Å; L199-L202 PolarHBondContact O-N 2.7Å; K200-L202 VanDerWaalsContact C-N 3.26Å; K200-L202 PolarHBondContact O-N 2.8Å; L202-N204 PolarHBondContact O-N 2.74Å; L202-M207 WeakPolarHBondContact O-CE 3.17Å; L202-L213 HydrophobicContact CB-CB 4.29Å; L202-L213 HydrophobicContact CB-CD2 4.19Å; L202-L213 PolarHBondContact O-N 3.1Å; L202-V307 HydrophobicContact CD1-CB 4.23Å; L202-V307 HydrophobicContact CD1-CG1 4.34Å; L202-V307 HydrophobicContact CD2-CB 4.48Å; L202-V307 HydrophobicContact CD2-CG1 4.04Å; L202-E308 HydrophobicContact CD1-CB 3.66Å; L202-M311 HydrophobicContact CD1-CE 3.35Å; L202-M311 HydrophobicContact CG-CE 4.06Å
203S86.4Confident88.7Confident46 Ų4640.1 Ų40.132%0.32223%0.227SC..THydrogen-bonded Turntrans-79-3.9173.2-59.80000113.4K200 L201 P205 L213K200-S203 WeakPolarHBondContact O-CB 3.46Å; K200-S203 PolarHBondContact O-N 2.59Å; L201-S203 PolarHBondContact O-N 3.22Å; S203-P205 WeakPolarHBondContact O-CD 3.06Å; S203-L213 VanDerWaalsContact CA-O 3.32Å; S203-L213 WeakPolarHBondContact CA-O 3.35Å; S203-L213 VanDerWaalsContact CB-O 3.25Å; S203-L213 WeakPolarHBondContact CB-O 3.34Å; S203-L213 PolarHBondContact OG-O 3.44Å
204N82.1Confident88.6Confident67 Ų6737.9 Ų37.936%0.35822%0.22SC..  trans-70.1116.6-179.6-174.1-13.5000111.5L201 L202 S206 M207L201-N204 WeakPolarHBondContact O-CB 3.4Å; L201-N204 PolarHBondContact O-N 2.84Å; L202-N204 PolarHBondContact O-N 2.74Å; N204-S206 PolarHBondContact O-N 3.18Å; N204-S206 WeakPolarHBondContact OD1-CB 3.16Å; N204-S206 PolarHBondContact OD1-N 2.71Å; N204-S206 PolarHBondContact OD1-OG 2.97Å; N204-M207 HydrophobicContact CB-CE 4.08Å; N204-M207 WeakPolarHBondContact O-CE 3.5Å
205P71.1Confident88.5Confident111 Ų11139.3 Ų39.372%0.72123%0.225SC*.THydrogen-bonded Turntrans-71.8-13.1-176.930.4-36.2000114S203 M207S203-P205 WeakPolarHBondContact O-CD 3.06Å; P205-M207 PolarHBondContact O-N 2.78Å; P205-M207 VanDerWaalsContact O-N 3.12Å
206S74.3Confident88.4Confident83 Ų8340 Ų4058%0.5823%0.23SC*.THydrogen-bonded Turntrans-70.5-2.8-179-57.10000114.2N204 A208 L408N204-S206 PolarHBondContact O-N 3.18Å; N204-S206 WeakPolarHBondContact OD1-CB 3.16Å; N204-S206 PolarHBondContact OD1-N 2.71Å; N204-S206 PolarHBondContact OD1-OG 2.97Å; S206-A208 PolarHBondContact O-N 3.14Å; S206-L408 WeakPolarHBondContact O-CD2 3.29Å
207M79.9Confident88.4Confident15 Ų1539 Ų397%0.07423%0.228CC..  trans-89.288.1-176.7-58.2-176.3-68.300111.2L202 N204 P205 Y209 L210 I410L202-M207 WeakPolarHBondContact O-CE 3.17Å; N204-M207 HydrophobicContact CB-CE 4.08Å; N204-M207 WeakPolarHBondContact O-CE 3.5Å; P205-M207 PolarHBondContact O-N 2.78Å; P205-M207 VanDerWaalsContact O-N 3.12Å; M207-Y209 VanDerWaalsContact C-N 3.26Å; M207-Y209 PolarHBondContact O-N 3.36Å; M207-L210 HydrophobicContact CB-CB 3.97Å; M207-L210 HydrophobicContact CB-CD1 4.21Å; M207-L210 HydrophobicContact CB-CG 4.17Å; M207-L210 HydrophobicContact CE-CD1 4.22Å; M207-L210 PolarHBondContact O-N 3.06Å; M207-L210 VanDerWaalsContact O-N 3.07Å; M207-L210 VanDerWaalsContact O-O 3.07Å; M207-L210 HydrophobicContact SD-CD1 3.69Å; M207-I410 HydrophobicContact SD-CD1 3.97Å; M207-I410 HydrophobicContact SD-CG1 4.11Å
208A81.6Confident88.3Confident24 Ų2438 Ų3820%0.19822%0.221CC..THydrogen-bonded Turntrans-52.7-35.9-169.400000115.6S206 R303 H404S206-A208 PolarHBondContact O-N 3.14Å; A208-R303 PolarHBondContact O-NE 3.01Å; A208-H404 HydrophobicContact CB-CB 3.91Å
209Y91.1Very high88.1Confident9 Ų939.6 Ų39.64%0.03523%0.231CC..THydrogen-bonded Turntrans-107.712.1-176.2-54.2-56000113.9M207 Q272 E275 S276 V301 R303 L304 L402M207-Y209 VanDerWaalsContact C-N 3.26Å; M207-Y209 PolarHBondContact O-N 3.36Å; Y209-Q272 HydrophobicContact CD1-CB 3.92Å; Y209-Q272 HydrophobicContact CD1-CG 3.94Å; Y209-Q272 HydrophobicContact CE1-CB 4.03Å; Y209-Q272 HydrophobicContact CE1-CG 3.53Å; Y209-Q272 HydrophobicContact CG-CB 4.25Å; Y209-E275 HydrophobicContact CD2-CB 4.37Å; Y209-S276 WeakPolarHBondContact CB-OG 3.34Å; Y209-S276 PolarHBondContact O-OG 3.44Å; Y209-V301 HydrophobicContact CD1-CG1 4.04Å; Y209-V301 HydrophobicContact CE1-CG1 4.17Å; Y209-R303 CarbonylContact O-C 3.59Å; Y209-R303 VanDerWaalsContact O-CA 3.25Å; Y209-R303 WeakPolarHBondContact O-CA 3.47Å; Y209-L304 PolarHBondContact O-N 3.3Å; Y209-L402 HydrophobicContact CE2-CD1 3.99Å
210L91.7Very high87.7Confident7 Ų747.7 Ų47.74%0.03727%0.269CS..BIsolated β-bridgetrans-112.6137.6168.4-56-173.5000108.6M207 L280 L304 V307M207-L210 HydrophobicContact CB-CB 3.97Å; M207-L210 HydrophobicContact CB-CD1 4.21Å; M207-L210 HydrophobicContact CB-CG 4.17Å; M207-L210 HydrophobicContact CE-CD1 4.22Å; M207-L210 PolarHBondContact O-N 3.06Å; M207-L210 VanDerWaalsContact O-N 3.07Å; M207-L210 VanDerWaalsContact O-O 3.07Å; M207-L210 HydrophobicContact SD-CD1 3.69Å; L210-L280 HydrophobicContact CD1-CD2 4.25Å; L210-L304 HydrophobicContact CD2-CB 3.8Å; L210-L304 HydrophobicContact CD2-CD1 3.99Å; L210-L304 HydrophobicContact CD2-CG 4.1Å; L210-V307 HydrophobicContact CD2-CG2 4.05Å
211S90.6Very high87.6Confident21 Ų2143 Ų4315%0.14725%0.253CS..  trans-71.4132.2173.8-177.10000109.1L213 L304S211-L213 PolarHBondContact O-N 3.05Å; S211-L304 WeakPolarHBondContact CB-O 3.42Å; S211-L304 PolarHBondContact N-O 3.5Å
212P86.6Confident87.8Confident39 Ų3941.7 Ų41.725%0.25325%0.247SC..  trans-65.4136-177.426.6-34.5000111.2L214 P228P212-L214 HydrophobicContact CB-CD2 4.19Å; P212-L214 HydrophobicContact CG-CD2 4.35Å; P212-P228 HydrophobicContact CG-CG 4.31Å
213L92.6Very high88.1Confident3 Ų341.4 Ų41.42%0.01625%0.245CC..  trans-90.797.7168.6-176.961.7000108.8L199 L202 S203 S211 F215 L225 R227L199-L213 HydrophobicContact CD2-CD2 4.3Å; L202-L213 HydrophobicContact CB-CB 4.29Å; L202-L213 HydrophobicContact CB-CD2 4.19Å; L202-L213 PolarHBondContact O-N 3.1Å; S203-L213 VanDerWaalsContact CA-O 3.32Å; S203-L213 WeakPolarHBondContact CA-O 3.35Å; S203-L213 VanDerWaalsContact CB-O 3.25Å; S203-L213 WeakPolarHBondContact CB-O 3.34Å; S203-L213 PolarHBondContact OG-O 3.44Å; S211-L213 PolarHBondContact O-N 3.05Å; L213-F215 WeakPolarHBondContact CD1-O 3.42Å; L213-L225 HydrophobicContact CD1-CB 3.95Å; L213-L225 HydrophobicContact CD1-CD2 4.07Å; L213-L225 HydrophobicContact CD2-CD2 4.26Å; L213-R227 HydrophobicContact CD1-CG 4.29Å
214L92.5Very high88.5Confident82 Ų8239.2 Ų39.243%0.42923%0.23SC..  trans-72.4-32.2-171.9-58.6177.6000112.7F177 P212 I226 P228F177-L214 HydrophobicContact CD1-CD1 3.51Å; F177-L214 HydrophobicContact CE1-CD1 3.41Å; F177-L214 VanDerWaalsContact CE1-CD1 3.41Å; P212-L214 HydrophobicContact CB-CD2 4.19Å; P212-L214 HydrophobicContact CG-CD2 4.35Å; L214-I226 PolarHBondContact N-O 3.48Å; L214-P228 HydrophobicContact CD1-CG 4.01Å
215F92.9Very high89.2Confident54 Ų5436 Ų3624%0.23721%0.213CC..EExtended strand (participates in β ladder)trans-145.9144.6176.4-179.1-86.6000110L213 L224 L225 I226L213-F215 WeakPolarHBondContact CD1-O 3.42Å; F215-L224 HydrophobicContact CD1-CD2 3.66Å; F215-L224 HydrophobicContact CE1-CD2 3.57Å; F215-L225 WeakPolarHBondContact O-CA 3.45Å; F215-I226 HydrophobicContact CB-CB 3.85Å; F215-I226 HydrophobicContact CB-CD1 3.96Å; F215-I226 HydrophobicContact CB-CG1 3.96Å; F215-I226 HydrophobicContact CD1-CD1 4.07Å; F215-I226 HydrophobicContact CD1-CG1 4.13Å; F215-I226 HydrophobicContact CG-CD1 4.13Å; F215-I226 HydrophobicContact CG-CG1 4.38Å; F215-I226 PolarHBondContact N-O 3.12Å; F215-I226 PolarHBondContact O-N 3.4Å
216S94.2Very high90.4Very high13 Ų1330.8 Ų30.89%0.09118%0.179CC..EExtended strand (participates in β ladder)trans-148.5133.1170.965.30000111.2Q196 L224Q196-S216 PolarHBondContact NE2-O 2.86Å; S216-L224 CarbonylContact C-O 3.12Å; S216-L224 VanDerWaalsContact CA-O 3.29Å; S216-L224 WeakPolarHBondContact CA-O 3.28Å
217S93.1Very high91.4Very high26 Ų2627.2 Ų27.218%0.18215%0.153CC..EExtended strand (participates in β ladder)trans-137.1141170.1-173.30000109.7F140 A223 L224F140-S217 WeakPolarHBondContact CE1-OG 3.01Å; S217-A223 CarbonylContact O-C 3.52Å; S217-A223 WeakPolarHBondContact O-CA 3.39Å; S217-L224 PolarHBondContact N-O 3.24Å; S217-L224 PolarHBondContact O-N 3.49Å
218T93.1Very high92.1Very high26 Ų2629.1 Ų29.116%0.1617%0.166CC..EExtended strand (participates in β ladder)trans-116144.9177.458.40000110.8L195 Q196 L199 A223L195-T218 HydrophobicContact CD2-CG2 3.87Å; L195-T218 HydrophobicContact CG-CG2 4.08Å; Q196-T218 PolarHBondContact OE1-OG1 3.32Å; L199-T218 HydrophobicContact CD1-CG2 3.41Å; L199-T218 VanDerWaalsContact CD1-CG2 3.41Å; T218-A223 HydrophobicContact CG2-CB 4.17Å
219S89.3Confident92.7Very high34 Ų3429.1 Ų29.124%0.23816%0.161CC..  trans-110.1-176.6165.679.10000109.8S221 S222S219-S221 PolarHBondContact O-N 3.2Å; S219-S221 PolarHBondContact OG-N 3.11Å; S219-S222 PolarHBondContact N-O 3.03Å; S219-S222 PolarHBondContact OG-N 3.44Å; S219-S222 PolarHBondContact OG-O 3.27Å; S219-S222 PolarHBondContact OG-OG 3.12Å
220E86.9Confident92.8Very high171 Ų17130 Ų3080%0.79917%0.169SC*.SBendtrans-58.4-28.1174.5-172.4-177.4174.600112.9
221S89.4Confident92.8Very high37 Ų3734.1 Ų34.126%0.25919%0.188SC..SBendtrans-130.8-8.4-171.659.20000115.5D183 L184 S219D183-S221 WeakPolarHBondContact CA-O 3.32Å; L184-S221 PolarHBondContact N-O 3.39Å; S219-S221 PolarHBondContact O-N 3.2Å; S219-S221 PolarHBondContact OG-N 3.11Å
222S94Very high92.8Very high1 Ų139.3 Ų39.31%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-145.7166.8-174.865.90000112.7Q136 W181 V182 S219Q136-S222 PolarHBondContact OE1-OG 3.42Å; W181-S222 PolarHBondContact NE1-OG 3.13Å; V182-S222 CarbonylContact O-C 3.22Å; V182-S222 WeakPolarHBondContact O-CA 3.43Å; V182-S222 WeakPolarHBondContact O-CB 3.36Å; S219-S222 PolarHBondContact N-O 3.03Å; S219-S222 PolarHBondContact OG-N 3.44Å; S219-S222 PolarHBondContact OG-O 3.27Å; S219-S222 PolarHBondContact OG-OG 3.12Å
223A95.7Very high93.2Very high1 Ų137.5 Ų37.51%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-130146169.600000111W181 V182 L184 S217 T218 L312W181-A223 WeakPolarHBondContact CA-O 3.37Å; V182-A223 HydrophobicContact CG1-CB 3.99Å; V182-A223 PolarHBondContact N-O 2.83Å; V182-A223 PolarHBondContact O-N 3.05Å; L184-A223 HydrophobicContact CD2-CB 4.46Å; S217-A223 CarbonylContact O-C 3.52Å; S217-A223 WeakPolarHBondContact O-CA 3.39Å; T218-A223 HydrophobicContact CG2-CB 4.17Å; A223-L312 HydrophobicContact CB-CD1 4.4Å; A223-L312 HydrophobicContact CB-CD2 3.58Å
224L96.4Very high93.4Very high0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-115.1125.6173.3-171.4155.9000108.3V137 F140 F141 L179 S180 F215 S216 S217 I226V137-L224 HydrophobicContact CB-CD1 4.31Å; V137-L224 HydrophobicContact CG1-CD1 4.49Å; V137-L224 HydrophobicContact CG2-CD1 3.83Å; F140-L224 HydrophobicContact CB-CD1 3.88Å; F140-L224 HydrophobicContact CD2-CD1 3.63Å; F140-L224 HydrophobicContact CE2-CD1 4.43Å; F140-L224 HydrophobicContact CG-CD1 3.92Å; F141-L224 HydrophobicContact CE1-CD2 4.47Å; L179-L224 HydrophobicContact CD1-CD1 4.03Å; L179-L224 HydrophobicContact CD1-CD2 3.68Å; L179-L224 HydrophobicContact CD1-CG 3.9Å; L179-L224 HydrophobicContact CD2-CG 4.24Å; L179-L224 HydrophobicContact CG-CD2 4.09Å; L179-L224 HydrophobicContact CG-CG 4.13Å; S180-L224 WeakPolarHBondContact O-CA 3.35Å; F215-L224 HydrophobicContact CD1-CD2 3.66Å; F215-L224 HydrophobicContact CE1-CD2 3.57Å; S216-L224 CarbonylContact C-O 3.12Å; S216-L224 VanDerWaalsContact CA-O 3.29Å; S216-L224 WeakPolarHBondContact CA-O 3.28Å; S217-L224 PolarHBondContact N-O 3.24Å; S217-L224 PolarHBondContact O-N 3.49Å; L224-I226 HydrophobicContact CD2-CD1 4.23Å; L224-I226 HydrophobicContact CD2-CG1 4Å
225L96.9Very high93.6Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-132.2134.1-171.5-53.5168.8000109.4L179 S180 V182 L199 L213 F215 E308 L312L179-L225 CarbonylContact C-O 3.6Å; L179-L225 VanDerWaalsContact CA-O 3.3Å; L179-L225 WeakPolarHBondContact CA-O 3.48Å; S180-L225 PolarHBondContact N-O 2.75Å; S180-L225 PolarHBondContact O-N 3.4Å; V182-L225 HydrophobicContact CG1-CD1 4.22Å; L199-L225 HydrophobicContact CD2-CD2 4.49Å; L213-L225 HydrophobicContact CD1-CB 3.95Å; L213-L225 HydrophobicContact CD1-CD2 4.07Å; L213-L225 HydrophobicContact CD2-CD2 4.26Å; F215-L225 WeakPolarHBondContact O-CA 3.45Å; L225-E308 HydrophobicContact CD1-CG 3.77Å; L225-E308 VanDerWaalsContact CD1-OE1 3.31Å; L225-E308 WeakPolarHBondContact CD1-OE1 3.38Å; L225-E308 HydrophobicContact CD2-CG 4.28Å; L225-L312 HydrophobicContact CD1-CD1 4.06Å
226I96.7Very high93.9Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-123.1135.6176.8-50.4178.3000110.5F141 W147 V167 F177 L178 L179 L214 F215 L224F141-I226 HydrophobicContact CE1-CD1 3.99Å; F141-I226 HydrophobicContact CZ-CD1 3.93Å; W147-I226 HydrophobicContact CD2-CD1 3.81Å; W147-I226 HydrophobicContact CE3-CD1 4.02Å; W147-I226 HydrophobicContact CG-CD1 4.32Å; W147-I226 HydrophobicContact CH2-CD1 4.27Å; W147-I226 HydrophobicContact CH2-CG2 3.77Å; W147-I226 HydrophobicContact CZ2-CD1 4.06Å; W147-I226 HydrophobicContact CZ2-CG2 4.39Å; W147-I226 HydrophobicContact CZ3-CD1 4.23Å; W147-I226 HydrophobicContact CZ3-CG2 3.88Å; V167-I226 HydrophobicContact CG2-CG2 4.15Å; F177-I226 HydrophobicContact CB-CG2 3.66Å; F177-I226 HydrophobicContact CD1-CG2 4.49Å; F177-I226 HydrophobicContact CG-CG2 4.28Å; L178-I226 WeakPolarHBondContact O-CA 3.49Å; L179-I226 HydrophobicContact CB-CG1 4.29Å; L179-I226 HydrophobicContact CD1-CD1 4.2Å; L179-I226 HydrophobicContact CD1-CG1 4.12Å; L179-I226 HydrophobicContact CG-CG1 4.2Å; L214-I226 PolarHBondContact N-O 3.48Å; F215-I226 HydrophobicContact CB-CB 3.85Å; F215-I226 HydrophobicContact CB-CD1 3.96Å; F215-I226 HydrophobicContact CB-CG1 3.96Å; F215-I226 HydrophobicContact CD1-CD1 4.07Å; F215-I226 HydrophobicContact CD1-CG1 4.13Å; F215-I226 HydrophobicContact CG-CD1 4.13Å; F215-I226 HydrophobicContact CG-CG1 4.38Å; F215-I226 PolarHBondContact N-O 3.12Å; F215-I226 PolarHBondContact O-N 3.4Å; L224-I226 HydrophobicContact CD2-CD1 4.23Å; L224-I226 HydrophobicContact CD2-CG1 4Å
227R94.9Very high94Very high9 Ų932.5 Ų32.53%0.03417%0.166CC..EExtended strand (participates in β ladder)trans-139.5163.1-179.7-49.6-171.1176.693.44.6111.1F177 L178 L213 F229 D306 E308F177-R227 CarbonylContact C-O 3.55Å; F177-R227 VanDerWaalsContact CA-O 3.26Å; F177-R227 WeakPolarHBondContact CA-O 3.2Å; F177-R227 WeakPolarHBondContact CB-O 2.97Å; L178-R227 PolarHBondContact N-O 2.97Å; L178-R227 PolarHBondContact O-N 2.75Å; L213-R227 HydrophobicContact CD1-CG 4.29Å; R227-F229 PolarHBondContact O-N 3.43Å; R227-D306 IonicContact CZ-OD1 3.1Å; R227-D306 IonicContact NH1-OD1 2.81Å; R227-D306 PolarHBondContact NH1-OD1 3.05Å; R227-D306 IonicContact NH2-OD1 2.71Å; R227-D306 PolarHBondContact NH2-OD1 3.49Å; R227-E308 IonicContact CZ-OE1 2.89Å; R227-E308 IonicContact CZ-OE2 3.02Å; R227-E308 IonicContact NH2-OE1 3.74Å; R227-E308 PolarHBondContact NH2-OE1 3.49Å; R227-E308 IonicContact NH2-OE2 3.79Å; R227-E308 PolarHBondContact NH2-OE2 2.96Å
228P93.8Very high94.2Very high54 Ų5433.8 Ų33.835%0.35117%0.17SC..EExtended strand (participates in β ladder)trans-55.9137.3165.3-21.933.8000111.3P212 L214P212-P228 HydrophobicContact CG-CG 4.31Å; L214-P228 HydrophobicContact CD1-CG 4.01Å
229F94.3Very high94.4Very high24 Ų2432.6 Ų32.611%0.10516%0.162CC..  trans-85130173.4-178.4-107.1000110.5L153 M156 L166 R176 L178 R227 E231 R245L153-F229 HydrophobicContact CD1-CE2 4.31Å; M156-F229 HydrophobicContact CE-CE2 4.24Å; M156-F229 HydrophobicContact SD-CE2 4.41Å; L166-F229 HydrophobicContact CD1-CB 4.28Å; L166-F229 HydrophobicContact CD1-CD1 4.09Å; L166-F229 HydrophobicContact CD1-CD2 4.24Å; L166-F229 HydrophobicContact CD1-CG 3.94Å; R176-F229 HydrophobicContact CB-CB 4.19Å; R176-F229 WeakPolarHBondContact O-CB 3.44Å; R176-F229 PolarHBondContact O-N 3.04Å; L178-F229 HydrophobicContact CB-CB 4.42Å; L178-F229 HydrophobicContact CB-CD2 4.12Å; L178-F229 HydrophobicContact CD1-CD2 4.28Å; R227-F229 PolarHBondContact O-N 3.43Å; F229-E231 HydrophobicContact CD1-CG 4.26Å; F229-E231 VanDerWaalsContact CE1-CD 3.46Å; F229-E231 HydrophobicContact CE1-CG 4.19Å; F229-E231 WeakPolarHBondContact CE1-OE2 3.32Å; F229-R245 HydrophobicContact CZ-CG 4.1Å
230S92.6Very high94.8Very high29 Ų2931.3 Ų31.320%0.20315%0.153CC..  trans-96.6114.3174.4177.50000110.9R232 G233S230-R232 PolarHBondContact O-N 3Å; S230-R232 PolarHBondContact OG-N 3.13Å; S230-G233 PolarHBondContact O-N 3.33Å; S230-G233 PolarHBondContact OG-N 3.22Å
231E91.5Very high95.2Very high93 Ų9329 Ų2944%0.43514%0.14SC..THydrogen-bonded Turntrans-69.3-22.2171.9-63.7-72.8177.500112R176 F229 G233 P244 R245R176-E231 IonicContact CZ-OE1 2.69Å; R176-E231 IonicContact NH1-OE1 3.58Å; R176-E231 PolarHBondContact NH1-OE1 3.15Å; F229-E231 HydrophobicContact CD1-CG 4.26Å; F229-E231 VanDerWaalsContact CE1-CD 3.46Å; F229-E231 HydrophobicContact CE1-CG 4.19Å; F229-E231 WeakPolarHBondContact CE1-OE2 3.32Å; E231-G233 VanDerWaalsContact C-N 3.32Å; E231-P244 WeakPolarHBondContact O-CG 3.43Å; E231-R245 IonicContact OE1-NH2 3.73Å; E231-R245 PolarHBondContact OE1-NH2 2.94Å; E231-R245 IonicContact OE2-NE 3.29Å; E231-R245 IonicContact OE2-NH2 2.78Å; E231-R245 PolarHBondContact OE2-NH2 2.84Å
232R91.8Very high95.5Very high129 Ų12928.8 Ų28.849%0.48714%0.138SC..THydrogen-bonded Turntrans-77.6-17.5175.4-56.3-170-156.2-170.112.3112.9S230 D298 D299S230-R232 PolarHBondContact O-N 3Å; S230-R232 PolarHBondContact OG-N 3.13Å; R232-D298 IonicContact CZ-OD1 2.85Å; R232-D298 IonicContact NE-OD1 3.35Å; R232-D298 PolarHBondContact NE-OD1 3.15Å; R232-D298 IonicContact NH1-OD1 2.99Å; R232-D298 IonicContact NH2-OD1 2.7Å; R232-D298 PolarHBondContact NH2-OD1 3.38Å; R232-D299 IonicContact CZ-OD1 3.17Å; R232-D299 IonicContact NH1-OD1 2.74Å; R232-D299 PolarHBondContact NH1-OD1 3.45Å; R232-D299 IonicContact NH2-OD1 2.92Å; R232-D299 PolarHBondContact NH2-OD1 3.43Å; R232-D299 IonicContact NH2-OD2 2.83Å
233G94.3Very high95.4Very high2 Ų236.2 Ų36.22%0.02117%0.17CC..  trans75.4-170.6-175.800000114.4S230 E231S230-G233 PolarHBondContact O-N 3.33Å; S230-G233 PolarHBondContact OG-N 3.22Å; E231-G233 VanDerWaalsContact C-N 3.32Å
234S97Very high95.2Very high7 Ų736.6 Ų36.65%0.04917%0.172CC..BIsolated β-bridgetrans-79.5168.517967.30000112.4R236 D237 Q238 V295S234-R236 PolarHBondContact O-N 2.86Å; S234-R236 PolarHBondContact OG-N 3.35Å; S234-D237 WeakPolarHBondContact CB-OD2 3.44Å; S234-D237 PolarHBondContact N-OD2 3.03Å; S234-D237 WeakPolarHBondContact O-CB 2.9Å; S234-D237 PolarHBondContact O-N 2.89Å; S234-D237 PolarHBondContact OG-N 2.8Å; S234-D237 PolarHBondContact OG-OD2 3.49Å; S234-Q238 PolarHBondContact O-N 3.27Å; S234-Q238 VanDerWaalsContact O-N 3.12Å; S234-V295 CarbonylContact C-O 3.32Å; S234-V295 WeakPolarHBondContact CA-O 3.44Å
235L98Very high95Very high0 Ų040.5 Ų40.50%019%0.187CC..Hα-helixtrans-56-36.7172.7-179.456.4000111.5Q238 I239 L261 F269 A292 V295 V297 L342 M346L235-Q238 WeakPolarHBondContact O-CB 3.44Å; L235-Q238 PolarHBondContact O-N 3.47Å; L235-I239 HydrophobicContact CD1-CD1 4.47Å; L235-I239 HydrophobicContact CG-CD1 4.13Å; L235-I239 WeakPolarHBondContact O-CG1 3.49Å; L235-I239 PolarHBondContact O-N 3.38Å; L235-L261 HydrophobicContact CD1-CD1 4.01Å; L235-L261 HydrophobicContact CD1-CD2 4.33Å; L235-F269 HydrophobicContact CD1-CD2 4.49Å; L235-F269 HydrophobicContact CD1-CE2 4.41Å; L235-A292 WeakPolarHBondContact CB-O 3.42Å; L235-A292 PolarHBondContact N-O 3.4Å; L235-V295 HydrophobicContact CB-CB 3.98Å; L235-V295 HydrophobicContact CB-CG1 4.21Å; L235-V295 HydrophobicContact CD2-CB 4.27Å; L235-V295 HydrophobicContact CD2-CG1 4.13Å; L235-V295 PolarHBondContact N-O 2.98Å; L235-V297 HydrophobicContact CB-CG2 4.15Å; L235-V297 HydrophobicContact CD1-CG2 3.97Å; L235-L342 HydrophobicContact CD2-CD1 4.33Å; L235-M346 HydrophobicContact CD2-CG 4.01Å; L235-M346 HydrophobicContact CD2-SD 3.92Å
236R97.8Very high94.9Very high34 Ų3443.3 Ų43.313%0.12820%0.2CC..Hα-helixtrans-65.8-38.4175.6-155.1175.3-165.6-169.7-4.1112.6S234 Q238 I239 C240 Y252 A292 S293 E345S234-R236 PolarHBondContact O-N 2.86Å; S234-R236 PolarHBondContact OG-N 3.35Å; R236-Q238 PolarHBondContact O-N 2.9Å; R236-I239 PolarHBondContact O-N 3.13Å; R236-C240 WeakPolarHBondContact O-CB 3.39Å; R236-C240 PolarHBondContact O-N 3.43Å; R236-Y252 HydrophobicContact CB-CE1 3.98Å; R236-Y252 HydrophobicContact CG-CD1 4.05Å; R236-Y252 HydrophobicContact CG-CE1 3.52Å; R236-A292 HydrophobicContact CB-CB 3.62Å; R236-A292 HydrophobicContact CG-CB 3.99Å; R236-A292 PolarHBondContact N-O 3Å; R236-S293 WeakPolarHBondContact CB-OG 3.42Å; R236-S293 WeakPolarHBondContact CD-OG 3.43Å; R236-E345 WeakPolarHBondContact CG-OE1 3.35Å; R236-E345 IonicContact CZ-OE1 2.91Å; R236-E345 IonicContact NE-OE1 3.27Å; R236-E345 PolarHBondContact NE-OE1 3.3Å; R236-E345 IonicContact NH2-OE1 3.8Å
237D97.3Very high94.8Very high6 Ų644.5 Ų44.53%0.03221%0.209CC..Hα-helixtrans-61.8-37.2174.8-60.5-69.7000110.3S234 K241 V242 K251 Y252S234-D237 WeakPolarHBondContact CB-OD2 3.44Å; S234-D237 PolarHBondContact N-OD2 3.03Å; S234-D237 WeakPolarHBondContact O-CB 2.9Å; S234-D237 PolarHBondContact O-N 2.89Å; S234-D237 PolarHBondContact OG-N 2.8Å; S234-D237 PolarHBondContact OG-OD2 3.49Å; D237-K241 WeakPolarHBondContact O-CA 3.44Å; D237-K241 PolarHBondContact O-N 3.15Å; D237-V242 HydrophobicContact CB-CG2 4Å; D237-V242 PolarHBondContact O-N 3.16Å; D237-K251 WeakPolarHBondContact OD1-CD 3.07Å; D237-K251 WeakPolarHBondContact OD1-CE 3.36Å; D237-K251 IonicContact OD1-NZ 3.3Å; D237-K251 PolarHBondContact OD1-NZ 2.95Å; D237-K251 IonicContact OD2-NZ 2.73Å; D237-Y252 VanDerWaalsContact CG-OH 3.22Å; D237-Y252 PolarHBondContact N-OH 3.16Å; D237-Y252 PolarHBondContact OD1-OH 2.85Å
238Q96.3Very high94.8Very high53 Ų5344.5 Ų44.525%0.24821%0.209CC..Hα-helixtrans-70.8-38.2176.6-62.6-179.722.800113.8S234 L235 R236 K241 V297S234-Q238 PolarHBondContact O-N 3.27Å; S234-Q238 VanDerWaalsContact O-N 3.12Å; L235-Q238 WeakPolarHBondContact O-CB 3.44Å; L235-Q238 PolarHBondContact O-N 3.47Å; R236-Q238 PolarHBondContact O-N 2.9Å; Q238-K241 VanDerWaalsContact O-CD 3.26Å; Q238-K241 WeakPolarHBondContact O-CD 3.4Å; Q238-K241 VanDerWaalsContact O-CE 3.31Å; Q238-K241 WeakPolarHBondContact O-CE 3.26Å; Q238-K241 PolarHBondContact O-NZ 2.77Å; Q238-V297 PolarHBondContact NE2-O 3.18Å
239I97.5Very high95Very high0 Ų042.8 Ų42.80%020%0.197CC..Hα-helixtrans-64.6-47.4175-74.1169.9000110.2L235 R236 K241 S258 Q259 L261 A292 E345 G349L235-I239 HydrophobicContact CD1-CD1 4.47Å; L235-I239 HydrophobicContact CG-CD1 4.13Å; L235-I239 WeakPolarHBondContact O-CG1 3.49Å; L235-I239 PolarHBondContact O-N 3.38Å; R236-I239 PolarHBondContact O-N 3.13Å; I239-K241 VanDerWaalsContact C-N 3.3Å; I239-K241 PolarHBondContact O-N 2.99Å; I239-S258 WeakPolarHBondContact O-CA 3.43Å; I239-Q259 PolarHBondContact O-N 3.21Å; I239-Q259 VanDerWaalsContact O-N 3.09Å; I239-L261 HydrophobicContact CG1-CD2 4.13Å; I239-A292 HydrophobicContact CD1-CB 4.49Å; I239-E345 HydrophobicContact CD1-CG 4.18Å; I239-G349 WeakPolarHBondContact CG2-O 3.43Å
240C97.4Very high95.1Very high8 Ų846.5 Ų46.55%0.05421%0.213CC..THydrogen-bonded Turntrans-83.1-1.3-179.4-61.90000114R236 V242 Y252 P255 K257R236-C240 WeakPolarHBondContact O-CB 3.39Å; R236-C240 PolarHBondContact O-N 3.43Å; C240-V242 VanDerWaalsContact C-N 3.29Å; C240-V242 HydrophobicContact CB-CG1 4.23Å; C240-V242 HydrophobicContact CB-CG2 4.03Å; C240-V242 WeakPolarHBondContact O-CG1 3.5Å; C240-V242 PolarHBondContact O-N 3.03Å; C240-Y252 HydrophobicContact CB-CD1 4.35Å; C240-Y252 HydrophobicContact CB-CE1 4.32Å; C240-P255 HydrophobicContact CB-CB 4.03Å; C240-K257 CarbonylContact C-O 3.56Å; C240-K257 VanDerWaalsContact C-O 3.32Å; C240-K257 WeakPolarHBondContact CA-O 3.39Å
241K96.1Very high95.2Very high122 Ų12245.3 Ų45.353%0.5320%0.204SC..THydrogen-bonded Turntrans52.643.7-178.6-49.8-63.9171.9-156.30113.1D237 Q238 I239 K257D237-K241 WeakPolarHBondContact O-CA 3.44Å; D237-K241 PolarHBondContact O-N 3.15Å; Q238-K241 VanDerWaalsContact O-CD 3.26Å; Q238-K241 WeakPolarHBondContact O-CD 3.4Å; Q238-K241 VanDerWaalsContact O-CE 3.31Å; Q238-K241 WeakPolarHBondContact O-CE 3.26Å; Q238-K241 PolarHBondContact O-NZ 2.77Å; I239-K241 VanDerWaalsContact C-N 3.3Å; I239-K241 PolarHBondContact O-N 2.99Å; K241-K257 HydrophobicContact CB-CB 4.31Å; K241-K257 HydrophobicContact CG-CB 4.22Å
242V95.7Very high95.4Very high33 Ų3341.5 Ų41.520%0.219%0.186CC..  trans-114.8165-178-66.70000112.1D237 C240 K251 Y252D237-V242 HydrophobicContact CB-CG2 4Å; D237-V242 PolarHBondContact O-N 3.16Å; C240-V242 VanDerWaalsContact C-N 3.29Å; C240-V242 HydrophobicContact CB-CG1 4.23Å; C240-V242 HydrophobicContact CB-CG2 4.03Å; C240-V242 WeakPolarHBondContact O-CG1 3.5Å; C240-V242 PolarHBondContact O-N 3.03Å; V242-K251 HydrophobicContact CB-CB 4.45Å; V242-K251 HydrophobicContact CB-CD 4.48Å; V242-K251 HydrophobicContact CB-CG 4.23Å; V242-K251 HydrophobicContact CG2-CB 4.02Å; V242-K251 HydrophobicContact CG2-CD 4.02Å; V242-K251 HydrophobicContact CG2-CG 4.07Å; V242-Y252 HydrophobicContact CG2-CE1 4.19Å
243K92.8Very high95.6Very high156 Ų15636 Ų3668%0.67817%0.167SC*.  trans-93.2140.1178.6-64.9-176.9180-178.10111.1R245 E246 K251K243-R245 VanDerWaalsContact C-N 3.35Å; K243-R245 PolarHBondContact O-N 2.86Å; K243-E246 PolarHBondContact O-N 2.87Å; K243-K251 VanDerWaalsContact O-CD 3.26Å; K243-K251 WeakPolarHBondContact O-CD 3.21Å
244P91.4Very high95.6Very high10 Ų1040.3 Ų40.37%0.06519%0.189CC..THydrogen-bonded Turntrans-63.7-33.6-171.320.7-31.8000114.8M156 E231 E246 K251M156-P244 HydrophobicContact CE-CB 4.1Å; M156-P244 WeakPolarHBondContact CE-O 3.41Å; E231-P244 WeakPolarHBondContact O-CG 3.43Å; P244-E246 VanDerWaalsContact C-N 3.26Å; P244-E246 PolarHBondContact O-N 3.49Å; P244-K251 PolarHBondContact O-NZ 2.75Å; P244-K251 VanDerWaalsContact O-NZ 3.1Å
245R91.9Very high95.5Very high82 Ų8241.8 Ų41.831%0.30920%0.199SC..THydrogen-bonded Turntrans-74.3-7.9-174.9-60.9-174.1-174.5-148.12.1114.8E151 R176 F229 E231 K243E151-R245 IonicContact OE1-NH1 3.91Å; E151-R245 PolarHBondContact OE1-NH1 3.35Å; E151-R245 VanDerWaalsContact OE1-NH1 3.13Å; R176-R245 VanDerWaalsContact NH1-NH2 3.15Å; F229-R245 HydrophobicContact CZ-CG 4.1Å; E231-R245 IonicContact OE1-NH2 3.73Å; E231-R245 PolarHBondContact OE1-NH2 2.94Å; E231-R245 IonicContact OE2-NE 3.29Å; E231-R245 IonicContact OE2-NH2 2.78Å; E231-R245 PolarHBondContact OE2-NH2 2.84Å; K243-R245 VanDerWaalsContact C-N 3.35Å; K243-R245 PolarHBondContact O-N 2.86Å
246E93.2Very high95.3Very high59 Ų5951.9 Ų51.928%0.27624%0.243SC..SBendtrans-75.4155.4173.7-61.1-162.2148.300111.4K243 P244 K250 K251K243-E246 PolarHBondContact O-N 2.87Å; P244-E246 VanDerWaalsContact C-N 3.26Å; P244-E246 PolarHBondContact O-N 3.49Å; E246-K250 HydrophobicContact CB-CD 4.34Å; E246-K250 HydrophobicContact CG-CD 4.48Å; E246-K250 IonicContact OE1-NZ 3.78Å; E246-K250 PolarHBondContact OE1-NZ 3.34Å; E246-K250 WeakPolarHBondContact OE2-CD 3.26Å; E246-K250 IonicContact OE2-NZ 3.83Å; E246-K251 HydrophobicContact CB-CD 4.01Å; E246-K251 HydrophobicContact CB-CG 3.69Å; E246-K251 WeakPolarHBondContact O-CD 3.42Å; E246-K251 VanDerWaalsContact O-CE 3.32Å; E246-K251 WeakPolarHBondContact O-CE 3.44Å
247S94.9Very high95.1Very high25 Ų2557.6 Ų57.618%0.17527%0.268CS..  trans-65.6145.8178.859.50000111.3D155 L249 K250 K251D155-S247 CarbonylContact O-C 3.43Å; D155-S247 WeakPolarHBondContact O-CA 3.49Å; S247-L249 PolarHBondContact O-N 3.02Å; S247-K250 WeakPolarHBondContact O-CB 3.24Å; S247-K250 PolarHBondContact O-N 2.99Å; S247-K250 WeakPolarHBondContact OG-CB 3.19Å; S247-K251 WeakPolarHBondContact O-CG 3.25Å; S247-K251 PolarHBondContact O-N 2.92Å
248H96.2Very high95.1Very high9 Ų959.9 Ų59.94%0.04229%0.285CS..Hα-helixtrans-50.3-43.9-179180-87.2000112.9D155 G157 K250 K251 Y252D155-H248 WeakPolarHBondContact O-CB 3.45Å; D155-H248 PolarHBondContact O-N 2.94Å; G157-H248 WeakPolarHBondContact O-CB 3.33Å; H248-K250 PolarHBondContact O-N 3.3Å; H248-K251 PolarHBondContact O-N 2.8Å; H248-Y252 AromaticContact CD2-CD2 3.41Å; H248-Y252 VanDerWaalsContact CD2-CD2 3.41Å; H248-Y252 WeakPolarHBondContact CD2-CD2 3.43Å; H248-Y252 AromaticContact CD2-CE2 3.63Å; H248-Y252 AromaticContact CG-CD2 3.94Å; H248-Y252 AromaticContact NE2-CD2 3.5Å; H248-Y252 WeakPolarHBondContact O-CD2 3.3Å; H248-Y252 PolarHBondContact O-N 2.9Å; H248-Y252 VanDerWaalsContact O-N 3.12Å
249L96.4Very high95Very high18 Ų1862.8 Ų62.89%0.09430%0.298CS..Hα-helixtrans-62.3-43.4178.4-64.7179.6000112.4V69 L109 F115 S247 K251 C253V69-L249 HydrophobicContact CG1-CB 4.12Å; V69-L249 HydrophobicContact CG1-CD1 4.29Å; L109-L249 WeakPolarHBondContact O-CD2 3.49Å; F115-L249 HydrophobicContact CD2-CD1 3.99Å; F115-L249 HydrophobicContact CE2-CD1 3.96Å; S247-L249 PolarHBondContact O-N 3.02Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.81Å; L249-C253 VanDerWaalsContact O-CB 3.23Å; L249-C253 WeakPolarHBondContact O-CB 3.43Å; L249-C253 PolarHBondContact O-N 2.87Å; L249-C253 VanDerWaalsContact O-N 3.1Å; L249-C253 PolarHBondContact O-SG 3.17Å
250K96.3Very high94.9Very high102 Ų10263.7 Ų63.744%0.44331%0.308SS..Hα-helixtrans-62.8-40.6177.9-166.9-179.9175.6-163.20111.8V69 E246 S247 H248V69-K250 HydrophobicContact CG2-CB 3.83Å; V69-K250 HydrophobicContact CG2-CG 4.26Å; V69-K250 WeakPolarHBondContact O-CA 3.19Å; E246-K250 HydrophobicContact CB-CD 4.34Å; E246-K250 HydrophobicContact CG-CD 4.48Å; E246-K250 IonicContact OE1-NZ 3.78Å; E246-K250 PolarHBondContact OE1-NZ 3.34Å; E246-K250 WeakPolarHBondContact OE2-CD 3.26Å; E246-K250 IonicContact OE2-NZ 3.83Å; S247-K250 WeakPolarHBondContact O-CB 3.24Å; S247-K250 PolarHBondContact O-N 2.99Å; S247-K250 WeakPolarHBondContact OG-CB 3.19Å; H248-K250 PolarHBondContact O-N 3.3Å
251K96.1Very high94.9Very high3 Ų364.4 Ų64.41%0.01331%0.311CS..Hα-helixtrans-70.2-40.2-175.2-69.6-168.7-55.21770113D237 V242 K243 P244 E246 S247 H248 L249D237-K251 WeakPolarHBondContact OD1-CD 3.07Å; D237-K251 WeakPolarHBondContact OD1-CE 3.36Å; D237-K251 IonicContact OD1-NZ 3.3Å; D237-K251 PolarHBondContact OD1-NZ 2.95Å; D237-K251 IonicContact OD2-NZ 2.73Å; V242-K251 HydrophobicContact CB-CB 4.45Å; V242-K251 HydrophobicContact CB-CD 4.48Å; V242-K251 HydrophobicContact CB-CG 4.23Å; V242-K251 HydrophobicContact CG2-CB 4.02Å; V242-K251 HydrophobicContact CG2-CD 4.02Å; V242-K251 HydrophobicContact CG2-CG 4.07Å; K243-K251 VanDerWaalsContact O-CD 3.26Å; K243-K251 WeakPolarHBondContact O-CD 3.21Å; P244-K251 PolarHBondContact O-NZ 2.75Å; P244-K251 VanDerWaalsContact O-NZ 3.1Å; E246-K251 HydrophobicContact CB-CD 4.01Å; E246-K251 HydrophobicContact CB-CG 3.69Å; E246-K251 WeakPolarHBondContact O-CD 3.42Å; E246-K251 VanDerWaalsContact O-CE 3.32Å; E246-K251 WeakPolarHBondContact O-CE 3.44Å; S247-K251 WeakPolarHBondContact O-CG 3.25Å; S247-K251 PolarHBondContact O-N 2.92Å; H248-K251 PolarHBondContact O-N 2.8Å; L249-K251 VanDerWaalsContact C-N 3.31Å; L249-K251 PolarHBondContact O-N 2.81Å
252Y96.1Very high94.9Very high14 Ų1464.4 Ų64.46%0.05531%0.313CS..Hα-helixtrans-124.2-11.7-161.3-54.5-54.8000115.8L109 R236 D237 C240 V242 H248L109-Y252 VanDerWaalsContact CD1-O 3.31Å; L109-Y252 WeakPolarHBondContact CD1-O 3.44Å; R236-Y252 HydrophobicContact CB-CE1 3.98Å; R236-Y252 HydrophobicContact CG-CD1 4.05Å; R236-Y252 HydrophobicContact CG-CE1 3.52Å; D237-Y252 VanDerWaalsContact CG-OH 3.22Å; D237-Y252 PolarHBondContact N-OH 3.16Å; D237-Y252 PolarHBondContact OD1-OH 2.85Å; C240-Y252 HydrophobicContact CB-CD1 4.35Å; C240-Y252 HydrophobicContact CB-CE1 4.32Å; V242-Y252 HydrophobicContact CG2-CE1 4.19Å; H248-Y252 AromaticContact CD2-CD2 3.41Å; H248-Y252 VanDerWaalsContact CD2-CD2 3.41Å; H248-Y252 WeakPolarHBondContact CD2-CD2 3.43Å; H248-Y252 AromaticContact CD2-CE2 3.63Å; H248-Y252 AromaticContact CG-CD2 3.94Å; H248-Y252 AromaticContact NE2-CD2 3.5Å; H248-Y252 WeakPolarHBondContact O-CD2 3.3Å; H248-Y252 PolarHBondContact O-N 2.9Å; H248-Y252 VanDerWaalsContact O-N 3.12Å
253C95.1Very high94.9Very high14 Ų1464.9 Ų64.910%0.09532%0.315CS..SBendtrans-70.1-44.6177.2-68.30000112.1C70 I72 L249C70-C253 HydrophobicContact CB-CB 3.61Å; C70-C253 WeakPolarHBondContact O-CB 3.37Å; C70-C253 VanDerWaalsContact SG-SG 3.63Å; I72-C253 HydrophobicContact CD1-CB 3.86Å; I72-C253 HydrophobicContact CG1-CB 4.45Å; L249-C253 VanDerWaalsContact O-CB 3.23Å; L249-C253 WeakPolarHBondContact O-CB 3.43Å; L249-C253 PolarHBondContact O-N 2.87Å; L249-C253 VanDerWaalsContact O-N 3.1Å; L249-C253 PolarHBondContact O-SG 3.17Å
254N94.7Very high95Very high92 Ų9263.8 Ų63.849%0.49231%0.312SS..SBendtrans-143.172.7177.2-17016.1000110.5C70 G71 I72 K256C70-N254 WeakPolarHBondContact O-CB 3.49Å; C70-N254 PolarHBondContact O-N 3.38Å; G71-N254 PolarHBondContact O-ND2 3.4Å; I72-N254 HydrophobicContact CG1-CB 3.92Å; N254-K256 PolarHBondContact O-N 3.3Å
255P94.2Very high95.3Very high38 Ų3867 Ų6725%0.24733%0.326CS..  trans-64.8131.6-177.827.7-34000110.8C240 K257C240-P255 HydrophobicContact CB-CB 4.03Å; P255-K257 PolarHBondContact O-N 3.13Å
256K93.1Very high95.5Very high212 Ų21263.3 Ų63.392%0.92231%0.312SS*.SBendtrans-63.6-28.1-179.6-66.9-174.6177.7-175.50113.6N254N254-K256 PolarHBondContact O-N 3.3Å
257K95Very high95.7Very high153 Ų15361.8 Ų61.867%0.66531%0.305SS*.  trans-138.8143.7176.7-65.8-173.6178.6-174.70107.7C240 K241 P255C240-K257 CarbonylContact C-O 3.56Å; C240-K257 VanDerWaalsContact C-O 3.32Å; C240-K257 WeakPolarHBondContact CA-O 3.39Å; K241-K257 HydrophobicContact CB-CB 4.31Å; K241-K257 HydrophobicContact CG-CB 4.22Å; P255-K257 PolarHBondContact O-N 3.13Å
258S95.9Very high95.8Very high55 Ų5563.2 Ų63.239%0.38531%0.31SS..  trans-151.1132.3169.7-142.30000108.6I239 G349I239-S258 WeakPolarHBondContact O-CA 3.43Å; S258-G349 WeakPolarHBondContact CB-O 3.22Å; S258-G349 PolarHBondContact OG-O 2.97Å
259Q95.8Very high95.9Very high113 Ų11363 Ų6353%0.52831%0.309SS..  trans-144.9135.2-176.4-166.7-177.5-6.300110.4I239I239-Q259 PolarHBondContact O-N 3.21Å; I239-Q259 VanDerWaalsContact O-N 3.09Å
260G95.4Very high96Very high20 Ų2062.1 Ų62.121%0.20630%0.304CS..PPolyproline II helixtrans-61.2168.2169.100000112M346G260-M346 CarbonylContact C-O 3.51Å; G260-M346 WeakPolarHBondContact CA-O 3.4Å
261L96.6Very high96.1Very high23 Ų2359 Ų5912%0.1229%0.29CS..PPolyproline II helixtrans-89.1160.1178.2-53178.8000110.7L235 I239 Q265 I266 F269 M346L235-L261 HydrophobicContact CD1-CD1 4.01Å; L235-L261 HydrophobicContact CD1-CD2 4.33Å; I239-L261 HydrophobicContact CG1-CD2 4.13Å; L261-Q265 HydrophobicContact CB-CB 4.09Å; L261-Q265 HydrophobicContact CD1-CB 4.49Å; L261-I266 HydrophobicContact CB-CG1 3.91Å; L261-I266 WeakPolarHBondContact O-CD1 3.29Å; L261-F269 HydrophobicContact CD1-CD2 3.73Å; L261-F269 HydrophobicContact CD1-CE2 4Å; L261-M346 HydrophobicContact CD1-CB 3.93Å; L261-M346 HydrophobicContact CD1-CG 3.8Å; L261-M346 HydrophobicContact CD1-SD 4.04Å; L261-M346 HydrophobicContact CG-CB 4.38Å; L261-M346 PolarHBondContact N-O 2.88Å
262E95.6Very high96.1Very high122 Ų12259.2 Ų59.257%0.5729%0.291SS*.PPolyproline II helixtrans-68.9152.8171.1-62.8-58.2145.700111.1E264 Q265 I266E262-E264 VanDerWaalsContact C-N 3.29Å; E262-E264 PolarHBondContact O-N 2.98Å; E262-Q265 HydrophobicContact CB-CG 4.49Å; E262-Q265 WeakPolarHBondContact O-CA 3.45Å; E262-Q265 WeakPolarHBondContact O-CB 3.45Å; E262-Q265 PolarHBondContact O-N 3.14Å; E262-I266 PolarHBondContact O-N 3.41Å
263L95.7Very high96.1Very high43 Ų4358.6 Ų58.623%0.22529%0.289CS..Hα-helixtrans-52.7-45.2-176.2-179.759.5000113Q265 I266 K267 H365 V368 L396L263-Q265 VanDerWaalsContact C-N 3.25Å; L263-Q265 PolarHBondContact O-N 2.79Å; L263-I266 WeakPolarHBondContact O-CB 3.42Å; L263-I266 PolarHBondContact O-N 2.92Å; L263-I266 VanDerWaalsContact O-N 3.12Å; L263-K267 HydrophobicContact CD1-CD 4.28Å; L263-K267 HydrophobicContact CD1-CG 4.09Å; L263-K267 HydrophobicContact CG-CD 4.11Å; L263-K267 HydrophobicContact CG-CG 4.3Å; L263-K267 WeakPolarHBondContact O-CG 3.16Å; L263-K267 PolarHBondContact O-N 3.18Å; L263-H365 HydrophobicContact CD1-CB 4.16Å; L263-V368 HydrophobicContact CD1-CG2 3.9Å; L263-L396 HydrophobicContact CD1-CD1 4.27Å
264E95.7Very high96.3Very high132 Ų13258 Ų5862%0.61728%0.284SS*.Hα-helixtrans-61.3-36.1-179.9-65.8-53.813700112.1E262 L268E262-E264 VanDerWaalsContact C-N 3.29Å; E262-E264 PolarHBondContact O-N 2.98Å; E264-L268 VanDerWaalsContact O-CB 3.23Å; E264-L268 WeakPolarHBondContact O-CB 3.28Å; E264-L268 PolarHBondContact O-N 3.3Å
265Q96.8Very high96.3Very high78 Ų7855.8 Ų55.836%0.36427%0.271SS..Hα-helixtrans-70.4-42.9174.2-63.3-179.4-56.100111L261 E262 L263 K267 L268 F269L261-Q265 HydrophobicContact CB-CB 4.09Å; L261-Q265 HydrophobicContact CD1-CB 4.49Å; E262-Q265 HydrophobicContact CB-CG 4.49Å; E262-Q265 WeakPolarHBondContact O-CA 3.45Å; E262-Q265 WeakPolarHBondContact O-CB 3.45Å; E262-Q265 PolarHBondContact O-N 3.14Å; L263-Q265 VanDerWaalsContact C-N 3.25Å; L263-Q265 PolarHBondContact O-N 2.79Å; Q265-K267 VanDerWaalsContact C-N 3.34Å; Q265-K267 PolarHBondContact O-N 2.9Å; Q265-L268 PolarHBondContact O-N 3.2Å; Q265-F269 HydrophobicContact CB-CD2 4.22Å; Q265-F269 HydrophobicContact CB-CE2 3.91Å; Q265-F269 HydrophobicContact CB-CZ 4.24Å; Q265-F269 HydrophobicContact CG-CE2 4.44Å; Q265-F269 HydrophobicContact CG-CZ 4.42Å; Q265-F269 WeakPolarHBondContact O-CB 3.49Å; Q265-F269 WeakPolarHBondContact O-CD2 3.37Å; Q265-F269 WeakPolarHBondContact O-CG 3.47Å; Q265-F269 PolarHBondContact O-N 3.03Å
266I97.5Very high96.3Very high4 Ų454.1 Ų54.12%0.02126%0.26CS..Hα-helixtrans-57.9-47.8176.2-64.5173.7000110.5L261 E262 L263 G270 L343 M346 V368L261-I266 HydrophobicContact CB-CG1 3.91Å; L261-I266 WeakPolarHBondContact O-CD1 3.29Å; E262-I266 PolarHBondContact O-N 3.41Å; L263-I266 WeakPolarHBondContact O-CB 3.42Å; L263-I266 PolarHBondContact O-N 2.92Å; L263-I266 VanDerWaalsContact O-N 3.12Å; I266-G270 WeakPolarHBondContact O-CA 3.34Å; I266-G270 PolarHBondContact O-N 3.34Å; I266-L343 HydrophobicContact CG2-CD1 3.57Å; I266-M346 HydrophobicContact CG1-CB 4.4Å; I266-V368 HydrophobicContact CG2-CG2 4.34Å
267K97.6Very high96.5Very high28 Ų2844 Ų4412%0.12222%0.216CC..Hα-helixtrans-61.4-51.7178.3-71.2-177.369.7-178.10111.3L263 Q265 R271 L396 D399 V400L263-K267 HydrophobicContact CD1-CD 4.28Å; L263-K267 HydrophobicContact CD1-CG 4.09Å; L263-K267 HydrophobicContact CG-CD 4.11Å; L263-K267 HydrophobicContact CG-CG 4.3Å; L263-K267 WeakPolarHBondContact O-CG 3.16Å; L263-K267 PolarHBondContact O-N 3.18Å; Q265-K267 VanDerWaalsContact C-N 3.34Å; Q265-K267 PolarHBondContact O-N 2.9Å; K267-R271 WeakPolarHBondContact O-CB 3.38Å; K267-R271 PolarHBondContact O-N 3.09Å; K267-L396 VanDerWaalsContact CE-O 3.26Å; K267-L396 WeakPolarHBondContact CE-O 3.31Å; K267-L396 HydrophobicContact CG-CD1 3.85Å; K267-L396 WeakPolarHBondContact CG-O 3.11Å; K267-D399 VanDerWaalsContact CE-OD1 3.26Å; K267-D399 WeakPolarHBondContact CE-OD1 3.28Å; K267-D399 VanDerWaalsContact NZ-CG 3.3Å; K267-D399 IonicContact NZ-OD1 3.11Å; K267-D399 PolarHBondContact NZ-OD1 3.2Å; K267-D399 VanDerWaalsContact NZ-OD1 3.11Å; K267-D399 IonicContact NZ-OD2 2.7Å; K267-D399 PolarHBondContact NZ-OD2 2.96Å; K267-V400 HydrophobicContact CB-CG2 3.83Å
268L97.3Very high96.5Very high54 Ų5439.8 Ų39.828%0.28320%0.198SC..Hα-helixtrans-62.6-51.8-177.6-178.861000112E264 Q265 R271 Q272 G300 V400 L402E264-L268 VanDerWaalsContact O-CB 3.23Å; E264-L268 WeakPolarHBondContact O-CB 3.28Å; E264-L268 PolarHBondContact O-N 3.3Å; Q265-L268 PolarHBondContact O-N 3.2Å; L268-R271 PolarHBondContact O-N 3.27Å; L268-Q272 WeakPolarHBondContact O-CG 3.15Å; L268-Q272 PolarHBondContact O-N 3.33Å; L268-G300 WeakPolarHBondContact CD2-O 3.3Å; L268-V400 HydrophobicContact CD1-CG1 4.11Å; L268-L402 HydrophobicContact CD1-CD2 4.16Å
269F98Very high96.4Very high5 Ų537.9 Ų37.92%0.02218%0.183CC..Hα-helixtrans-68.3-43.7-177.2-61.6-13.1000111L235 L261 Q265 R271 Q272 I273 V297 C302 M346L235-F269 HydrophobicContact CD1-CD2 4.49Å; L235-F269 HydrophobicContact CD1-CE2 4.41Å; L261-F269 HydrophobicContact CD1-CD2 3.73Å; L261-F269 HydrophobicContact CD1-CE2 4Å; Q265-F269 HydrophobicContact CB-CD2 4.22Å; Q265-F269 HydrophobicContact CB-CE2 3.91Å; Q265-F269 HydrophobicContact CB-CZ 4.24Å; Q265-F269 HydrophobicContact CG-CE2 4.44Å; Q265-F269 HydrophobicContact CG-CZ 4.42Å; Q265-F269 WeakPolarHBondContact O-CB 3.49Å; Q265-F269 WeakPolarHBondContact O-CD2 3.37Å; Q265-F269 WeakPolarHBondContact O-CG 3.47Å; Q265-F269 PolarHBondContact O-N 3.03Å; F269-R271 VanDerWaalsContact C-N 3.31Å; F269-R271 PolarHBondContact O-N 3.3Å; F269-Q272 PolarHBondContact O-N 3.11Å; F269-I273 WeakPolarHBondContact O-CB 3.46Å; F269-I273 WeakPolarHBondContact O-CD1 3.2Å; F269-I273 WeakPolarHBondContact O-CG1 3.32Å; F269-I273 PolarHBondContact O-N 2.67Å; F269-V297 HydrophobicContact CE1-CG1 3.99Å; F269-V297 HydrophobicContact CE2-CG1 4.16Å; F269-V297 HydrophobicContact CE2-CG2 4.37Å; F269-V297 HydrophobicContact CZ-CG1 3.56Å; F269-C302 WeakPolarHBondContact CB-SG 3.45Å; F269-C302 WeakPolarHBondContact CD1-SG 3.29Å; F269-C302 WeakPolarHBondContact CG-SG 3.46Å; F269-M346 HydrophobicContact CB-SD 4.18Å
270G98Very high96.3Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-56.7-44.7174.800000111.8I266 I273 L274I266-G270 WeakPolarHBondContact O-CA 3.34Å; I266-G270 PolarHBondContact O-N 3.34Å; G270-I273 PolarHBondContact O-N 2.99Å; G270-L274 WeakPolarHBondContact O-CB 3.48Å; G270-L274 VanDerWaalsContact O-CG 3.27Å; G270-L274 WeakPolarHBondContact O-CG 3.47Å; G270-L274 PolarHBondContact O-N 2.99Å
271R97.2Very high96.3Very high35 Ų3533 Ų3313%0.13216%0.155CC..Hα-helixtrans-63-47.6176.3-178.660-174-121.36.7112.6K267 L268 F269 I273 L274 E275 F397 V400 L402K267-R271 WeakPolarHBondContact O-CB 3.38Å; K267-R271 PolarHBondContact O-N 3.09Å; L268-R271 PolarHBondContact O-N 3.27Å; F269-R271 VanDerWaalsContact C-N 3.31Å; F269-R271 PolarHBondContact O-N 3.3Å; R271-I273 VanDerWaalsContact C-N 3.33Å; R271-I273 PolarHBondContact O-N 3.39Å; R271-L274 PolarHBondContact O-N 2.97Å; R271-E275 IonicContact CZ-OE1 3.81Å; R271-E275 IonicContact NE-OE1 3.05Å; R271-E275 PolarHBondContact NE-OE1 3.29Å; R271-E275 IonicContact NH2-OE1 3.92Å; R271-E275 PolarHBondContact NH2-OE1 3.22Å; R271-E275 WeakPolarHBondContact O-CG 3.48Å; R271-E275 PolarHBondContact O-N 2.9Å; R271-F397 HydrophobicContact CB-CD1 4.35Å; R271-F397 PolarHBondContact NH1-O 3.22Å; R271-V400 HydrophobicContact CB-CB 3.98Å; R271-V400 HydrophobicContact CB-CG1 3.8Å; R271-V400 HydrophobicContact CB-CG2 4.38Å; R271-V400 HydrophobicContact CG-CB 3.95Å; R271-V400 HydrophobicContact CG-CG1 3.92Å; R271-L402 HydrophobicContact CB-CD2 4.49Å; R271-L402 HydrophobicContact CG-CD1 3.99Å; R271-L402 HydrophobicContact CG-CD2 3.96Å; R271-L402 HydrophobicContact CG-CG 4Å
272Q96.2Very high96.2Very high9 Ų936.8 Ų36.84%0.04218%0.176CC..Hα-helixtrans-62.2-39.1179.2-69.7174.7-1.700112.5Y209 L268 F269 S276 G300 C302 L402Y209-Q272 HydrophobicContact CD1-CB 3.92Å; Y209-Q272 HydrophobicContact CD1-CG 3.94Å; Y209-Q272 HydrophobicContact CE1-CB 4.03Å; Y209-Q272 HydrophobicContact CE1-CG 3.53Å; Y209-Q272 HydrophobicContact CG-CB 4.25Å; L268-Q272 WeakPolarHBondContact O-CG 3.15Å; L268-Q272 PolarHBondContact O-N 3.33Å; F269-Q272 PolarHBondContact O-N 3.11Å; Q272-S276 PolarHBondContact O-N 2.9Å; Q272-S276 VanDerWaalsContact O-N 3.15Å; Q272-S276 PolarHBondContact O-OG 3.4Å; Q272-G300 PolarHBondContact NE2-O 2.83Å; Q272-G300 VanDerWaalsContact NE2-O 3.15Å; Q272-C302 HydrophobicContact CB-CB 4.33Å; Q272-L402 HydrophobicContact CG-CD2 3.66Å
273I97.8Very high95.9Very high1 Ų131.5 Ų31.51%0.00515%0.152CC..Hα-helixtrans-65.2-46175.8-68.5160.8000110.4F269 G270 R271 E275 S276 L277 L290 V295 L304 F339 L342F269-I273 WeakPolarHBondContact O-CB 3.46Å; F269-I273 WeakPolarHBondContact O-CD1 3.2Å; F269-I273 WeakPolarHBondContact O-CG1 3.32Å; F269-I273 PolarHBondContact O-N 2.67Å; G270-I273 PolarHBondContact O-N 2.99Å; R271-I273 VanDerWaalsContact C-N 3.33Å; R271-I273 PolarHBondContact O-N 3.39Å; I273-E275 VanDerWaalsContact C-N 3.34Å; I273-E275 PolarHBondContact O-N 2.61Å; I273-S276 VanDerWaalsContact O-CB 3.31Å; I273-S276 WeakPolarHBondContact O-CB 3.45Å; I273-S276 PolarHBondContact O-N 2.74Å; I273-S276 VanDerWaalsContact O-N 3.11Å; I273-L277 HydrophobicContact CG2-CD1 4.45Å; I273-L277 WeakPolarHBondContact O-CG 3.34Å; I273-L277 PolarHBondContact O-N 3.05Å; I273-L290 HydrophobicContact CG2-CD1 3.93Å; I273-L290 HydrophobicContact CG2-CD2 3.73Å; I273-V295 HydrophobicContact CD1-CG2 4.41Å; I273-L304 HydrophobicContact CG1-CD2 4.18Å; I273-L304 HydrophobicContact CG2-CD2 4.46Å; I273-F339 HydrophobicContact CB-CE2 4.5Å; I273-F339 HydrophobicContact CG2-CD2 3.92Å; I273-F339 HydrophobicContact CG2-CE2 4.22Å; I273-L342 HydrophobicContact CD1-CD2 3.72Å
274L97.6Very high95.7Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-62.4-39.2178.5-72.5170.6000112.4G270 R271 S276 L277 K278 F339 V388 L391 I392 F397G270-L274 WeakPolarHBondContact O-CB 3.48Å; G270-L274 VanDerWaalsContact O-CG 3.27Å; G270-L274 WeakPolarHBondContact O-CG 3.47Å; G270-L274 PolarHBondContact O-N 2.99Å; R271-L274 PolarHBondContact O-N 2.97Å; L274-S276 VanDerWaalsContact C-N 3.29Å; L274-S276 PolarHBondContact O-N 3.08Å; L274-L277 PolarHBondContact O-N 3.33Å; L274-K278 WeakPolarHBondContact O-CB 3.44Å; L274-K278 PolarHBondContact O-N 3.45Å; L274-F339 HydrophobicContact CD1-CE1 4.21Å; L274-F339 HydrophobicContact CD1-CE2 4.29Å; L274-F339 HydrophobicContact CD1-CZ 3.75Å; L274-F339 HydrophobicContact CD2-CD1 4.06Å; L274-F339 HydrophobicContact CD2-CD2 4.04Å; L274-F339 HydrophobicContact CD2-CE1 3.94Å; L274-F339 HydrophobicContact CD2-CE2 3.92Å; L274-F339 HydrophobicContact CD2-CG 4.11Å; L274-F339 HydrophobicContact CD2-CZ 3.86Å; L274-F339 HydrophobicContact CG-CD2 4.31Å; L274-F339 HydrophobicContact CG-CE1 4.25Å; L274-F339 HydrophobicContact CG-CE2 3.73Å; L274-F339 HydrophobicContact CG-CZ 3.7Å; L274-V388 HydrophobicContact CB-CG1 4.36Å; L274-V388 HydrophobicContact CD2-CG1 4.08Å; L274-V388 VanDerWaalsContact O-CG1 3.27Å; L274-V388 WeakPolarHBondContact O-CG1 3.47Å; L274-L391 HydrophobicContact CD1-CB 3.98Å; L274-L391 HydrophobicContact CD2-CB 3.97Å; L274-L391 HydrophobicContact CD2-CD1 3.91Å; L274-I392 HydrophobicContact CB-CD1 4.12Å; L274-I392 HydrophobicContact CB-CG1 3.66Å; L274-I392 HydrophobicContact CD1-CG1 4.14Å; L274-I392 HydrophobicContact CG-CG1 4.45Å; L274-F397 HydrophobicContact CD1-CD2 3.51Å; L274-F397 HydrophobicContact CD1-CE2 3.71Å; L274-F397 HydrophobicContact CD1-CG 3.98Å; L274-F397 HydrophobicContact CD1-CZ 4.34Å
275E95Very high95.6Very high46 Ų4625.3 Ų25.322%0.21513%0.131CC..Hα-helixtrans-62.3-37.7173.1-68.7-57.816300112.3Y209 R271 I273 K278 L279 L402Y209-E275 HydrophobicContact CD2-CB 4.37Å; R271-E275 IonicContact CZ-OE1 3.81Å; R271-E275 IonicContact NE-OE1 3.05Å; R271-E275 PolarHBondContact NE-OE1 3.29Å; R271-E275 IonicContact NH2-OE1 3.92Å; R271-E275 PolarHBondContact NH2-OE1 3.22Å; R271-E275 WeakPolarHBondContact O-CG 3.48Å; R271-E275 PolarHBondContact O-N 2.9Å; I273-E275 VanDerWaalsContact C-N 3.34Å; I273-E275 PolarHBondContact O-N 2.61Å; E275-K278 PolarHBondContact O-N 3.11Å; E275-L279 WeakPolarHBondContact O-CB 3.42Å; E275-L279 PolarHBondContact O-N 2.83Å; E275-L402 HydrophobicContact CB-CD1 4.46Å; E275-L402 HydrophobicContact CG-CD1 3.5Å; E275-L402 VanDerWaalsContact CG-CD1 3.5Å
276S94.7Very high95.4Very high3 Ų323 Ų232%0.02112%0.12CC..Hα-helixtrans-64.9-45.5176.2-54.60000111.6Y209 Q272 I273 L274 K278 L279 L280 L304Y209-S276 WeakPolarHBondContact CB-OG 3.34Å; Y209-S276 PolarHBondContact O-OG 3.44Å; Q272-S276 PolarHBondContact O-N 2.9Å; Q272-S276 VanDerWaalsContact O-N 3.15Å; Q272-S276 PolarHBondContact O-OG 3.4Å; I273-S276 VanDerWaalsContact O-CB 3.31Å; I273-S276 WeakPolarHBondContact O-CB 3.45Å; I273-S276 PolarHBondContact O-N 2.74Å; I273-S276 VanDerWaalsContact O-N 3.11Å; L274-S276 VanDerWaalsContact C-N 3.29Å; L274-S276 PolarHBondContact O-N 3.08Å; S276-K278 VanDerWaalsContact C-N 3.33Å; S276-L279 PolarHBondContact O-N 2.96Å; S276-L280 WeakPolarHBondContact O-CG 3.49Å; S276-L280 PolarHBondContact O-N 2.82Å; S276-L280 VanDerWaalsContact O-N 3.07Å; S276-L304 VanDerWaalsContact CB-CD1 3.49Å
277L96.8Very high95.3Very high0 Ų022.8 Ų22.80%012%0.119CC..Hα-helixtrans-62-43.4175.9-67.3-179.5000111.1I273 L274 L279 L280 H281 F287 L290 D335 F339 V388I273-L277 HydrophobicContact CG2-CD1 4.45Å; I273-L277 WeakPolarHBondContact O-CG 3.34Å; I273-L277 PolarHBondContact O-N 3.05Å; L274-L277 PolarHBondContact O-N 3.33Å; L277-L279 PolarHBondContact O-N 2.78Å; L277-L280 PolarHBondContact O-N 2.73Å; L277-H281 PolarHBondContact O-CD2 3.22Å; L277-H281 VanDerWaalsContact O-CG 3.24Å; L277-H281 PolarHBondContact O-N 3.3Å; L277-F287 HydrophobicContact CD2-CB 3.89Å; L277-F287 HydrophobicContact CD2-CD1 4.17Å; L277-L290 HydrophobicContact CD1-CD2 3.99Å; L277-D335 HydrophobicContact CD1-CB 4.4Å; L277-D335 HydrophobicContact CD2-CB 4.17Å; L277-F339 HydrophobicContact CD1-CB 4.36Å; L277-V388 HydrophobicContact CB-CG1 4.12Å; L277-V388 HydrophobicContact CB-CG2 4.07Å; L277-V388 HydrophobicContact CD1-CG2 4.26Å
278K95.4Very high95.2Very high65 Ų6521.6 Ų21.628%0.28312%0.115SC..Hα-helixtrans-58.7-47.4176.4-172.4-171.5178.8-60.40111.2L274 E275 S276 L280 H281 D282 V388 I392L274-K278 WeakPolarHBondContact O-CB 3.44Å; L274-K278 PolarHBondContact O-N 3.45Å; E275-K278 PolarHBondContact O-N 3.11Å; S276-K278 VanDerWaalsContact C-N 3.33Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3Å; K278-H281 PolarHBondContact O-N 3.4Å; K278-D282 IonicContact NZ-OD1 3.96Å; K278-D282 IonicContact NZ-OD2 3.65Å; K278-D282 PolarHBondContact NZ-OD2 3.38Å; K278-D282 WeakPolarHBondContact O-CB 3.25Å; K278-D282 VanDerWaalsContact O-CG 3.23Å; K278-D282 PolarHBondContact O-N 3.04Å; K278-V388 HydrophobicContact CB-CG1 3.93Å; K278-I392 HydrophobicContact CB-CD1 4.24Å; K278-I392 HydrophobicContact CD-CD1 3.97Å
279L93.4Very high95.2Very high14 Ų1419.3 Ų19.37%0.07310%0.103CC..Hα-helixtrans-57.3-43.9177.3176.563.5000111.9E275 S276 L277 S283 L408 I410E275-L279 WeakPolarHBondContact O-CB 3.42Å; E275-L279 PolarHBondContact O-N 2.83Å; S276-L279 PolarHBondContact O-N 2.96Å; L277-L279 PolarHBondContact O-N 2.78Å; L279-S283 WeakPolarHBondContact O-CB 3.39Å; L279-S283 PolarHBondContact O-N 3.48Å; L279-S283 PolarHBondContact O-OG 3Å; L279-L408 HydrophobicContact CD1-CB 3.82Å; L279-L408 VanDerWaalsContact CD1-O 3.23Å; L279-L408 WeakPolarHBondContact CD1-O 3.34Å; L279-L408 HydrophobicContact CD2-CB 4.02Å; L279-L408 HydrophobicContact CD2-CD1 4.36Å; L279-I410 HydrophobicContact CD1-CG1 4.04Å; L279-I410 HydrophobicContact CD2-CD1 4.38Å; L279-I410 HydrophobicContact CD2-CG1 4.36Å; L279-I410 HydrophobicContact CG-CD1 4.07Å; L279-I410 HydrophobicContact CG-CG1 4.09Å
280L94.5Very high95.2Very high0 Ų019.1 Ų19.10%010%0.102CC..Hα-helixtrans-63.5-50176.9-67.3172000110.8L210 S276 L277 K278 D282 S283 G284 L285 F287 V307 I410L210-L280 HydrophobicContact CD1-CD2 4.25Å; S276-L280 WeakPolarHBondContact O-CG 3.49Å; S276-L280 PolarHBondContact O-N 2.82Å; S276-L280 VanDerWaalsContact O-N 3.07Å; L277-L280 PolarHBondContact O-N 2.73Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3Å; L280-D282 PolarHBondContact O-N 3.38Å; L280-S283 CarbonylContact O-C 3.55Å; L280-S283 WeakPolarHBondContact O-CA 3.48Å; L280-S283 WeakPolarHBondContact O-CB 3.45Å; L280-S283 PolarHBondContact O-N 2.93Å; L280-G284 PolarHBondContact O-N 3.28Å; L280-L285 CarbonylContact C-O 3.6Å; L280-L285 HydrophobicContact CB-CB 4.13Å; L280-L285 HydrophobicContact CD2-CB 4Å; L280-L285 HydrophobicContact CD2-CD1 4.03Å; L280-L285 CarbonylContact O-C 3.56Å; L280-L285 WeakPolarHBondContact O-CA 3.32Å; L280-L285 PolarHBondContact O-N 3.43Å; L280-F287 HydrophobicContact CD1-CB 3.97Å; L280-V307 HydrophobicContact CD1-CG1 3.94Å; L280-V307 HydrophobicContact CD2-CG1 3.87Å; L280-I410 HydrophobicContact CD2-CD1 4.28Å
281H95.4Very high95.2Very high30 Ų3020 Ų2014%0.13911%0.106CC..Hα-helixtrans-59.9-46.2-179.1-66.7178.3000112.1L277 K278 S283 G284 L285 D335L277-H281 PolarHBondContact O-CD2 3.22Å; L277-H281 VanDerWaalsContact O-CG 3.24Å; L277-H281 PolarHBondContact O-N 3.3Å; K278-H281 PolarHBondContact O-N 3.4Å; H281-S283 PolarHBondContact O-N 3.36Å; H281-S283 VanDerWaalsContact O-N 3.14Å; H281-G284 PolarHBondContact O-N 3.01Å; H281-L285 WeakPolarHBondContact CA-O 3.32Å; H281-L285 PolarHBondContact N-O 2.95Å; H281-D335 IonicContact CD2-OD2 3.28Å; H281-D335 IonicContact CE1-OD2 2.75Å; H281-D335 IonicContact NE2-OD2 3.42Å; H281-D335 PolarHBondContact NE2-OD2 3.1Å
282D93.2Very high95.3Very high104 Ų10418.3 Ų18.356%0.55610%0.1SC*.Hα-helixtrans-59.9-26.4176.7-71.3-13000112.3K278 L280K278-D282 IonicContact NZ-OD1 3.96Å; K278-D282 IonicContact NZ-OD2 3.65Å; K278-D282 PolarHBondContact NZ-OD2 3.38Å; K278-D282 WeakPolarHBondContact O-CB 3.25Å; K278-D282 VanDerWaalsContact O-CG 3.23Å; K278-D282 PolarHBondContact O-N 3.04Å; L280-D282 PolarHBondContact O-N 3.38Å
283S91.2Very high95.3Very high11 Ų1119.1 Ų19.18%0.07711%0.106CC..THydrogen-bonded Turntrans-92.30.4179.5-51.60000113.2L279 L280 H281 L285 I410L279-S283 WeakPolarHBondContact O-CB 3.39Å; L279-S283 PolarHBondContact O-N 3.48Å; L279-S283 PolarHBondContact O-OG 3Å; L280-S283 CarbonylContact O-C 3.55Å; L280-S283 WeakPolarHBondContact O-CA 3.48Å; L280-S283 WeakPolarHBondContact O-CB 3.45Å; L280-S283 PolarHBondContact O-N 2.93Å; H281-S283 PolarHBondContact O-N 3.36Å; H281-S283 VanDerWaalsContact O-N 3.14Å; S283-L285 VanDerWaalsContact C-N 3.28Å; S283-I410 WeakPolarHBondContact OG-CB 3.36Å
284G91.3Very high95.3Very high33 Ų3319.4 Ų19.434%0.3411%0.108SC..THydrogen-bonded Turntrans74.316.5-17600000114.3L280 H281L280-G284 PolarHBondContact O-N 3.28Å; H281-G284 PolarHBondContact O-N 3.01Å
285L92.6Very high95.3Very high11 Ų1119.4 Ų19.46%0.05811%0.108CC..  trans-100.5161.5172.1-64.1170.3000109.5L280 H281 S283 M311 I410 L420L280-L285 CarbonylContact C-O 3.6Å; L280-L285 HydrophobicContact CB-CB 4.13Å; L280-L285 HydrophobicContact CD2-CB 4Å; L280-L285 HydrophobicContact CD2-CD1 4.03Å; L280-L285 CarbonylContact O-C 3.56Å; L280-L285 WeakPolarHBondContact O-CA 3.32Å; L280-L285 PolarHBondContact O-N 3.43Å; H281-L285 WeakPolarHBondContact CA-O 3.32Å; H281-L285 PolarHBondContact N-O 2.95Å; S283-L285 VanDerWaalsContact C-N 3.28Å; L285-M311 HydrophobicContact CD2-SD 4.15Å; L285-I410 HydrophobicContact CD1-CD1 4.14Å; L285-L420 HydrophobicContact CD2-CD1 3.66Å; L285-L420 HydrophobicContact CD2-CD2 3.77Å; L285-L420 HydrophobicContact CD2-CG 4.33Å; L285-L420 HydrophobicContact CG-CD1 4.44Å
286F92.5Very high95.4Very high29 Ų2919.2 Ų19.213%0.12711%0.108CC..  trans-139.3155.417272.5-82.2000108.8T331 L427F286-T331 HydrophobicContact CB-CG2 4.41Å; F286-T331 HydrophobicContact CD1-CG2 3.66Å; F286-T331 HydrophobicContact CD2-CG2 3.8Å; F286-T331 HydrophobicContact CE1-CG2 3.82Å; F286-T331 HydrophobicContact CE2-CG2 3.96Å; F286-T331 VanDerWaalsContact CG-CB 3.41Å; F286-T331 HydrophobicContact CG-CG2 3.68Å; F286-T331 HydrophobicContact CZ-CG2 4Å; F286-L427 HydrophobicContact CE1-CD1 4.28Å; F286-L427 HydrophobicContact CE2-CD1 4Å; F286-L427 HydrophobicContact CZ-CD1 3.42Å; F286-L427 VanDerWaalsContact CZ-CD1 3.42Å
287F95.8Very high95.3Very high0 Ų019.5 Ų19.50%011%0.109CC..  trans-87.9-49.6-178.2-171.6-164.6000111.6L277 L280 H289 L290 N294 L304 V305 V307 D335L277-F287 HydrophobicContact CD2-CB 3.89Å; L277-F287 HydrophobicContact CD2-CD1 4.17Å; L280-F287 HydrophobicContact CD1-CB 3.97Å; F287-H289 HydrophobicContact CD2-CB 4.14Å; F287-H289 HydrophobicContact CE2-CB 3.94Å; F287-H289 PolarHBondContact O-CD2 3.36Å; F287-H289 PolarHBondContact O-N 2.91Å; F287-L290 HydrophobicContact CD1-CB 3.61Å; F287-L290 HydrophobicContact CD1-CD1 4.02Å; F287-L290 HydrophobicContact CD1-CG 4.37Å; F287-L290 HydrophobicContact CE1-CB 3.77Å; F287-L290 HydrophobicContact CE1-CD1 3.64Å; F287-L290 HydrophobicContact CE1-CG 4.32Å; F287-N294 HydrophobicContact CZ-CB 3.96Å; F287-L304 HydrophobicContact CD1-CD1 3.8Å; F287-L304 HydrophobicContact CE1-CB 4.14Å; F287-L304 HydrophobicContact CE1-CD1 3.8Å; F287-L304 HydrophobicContact CE1-CD2 4.07Å; F287-L304 HydrophobicContact CE1-CG 4.23Å; F287-L304 HydrophobicContact CZ-CB 4.28Å; F287-V305 WeakPolarHBondContact CZ-O 3.21Å; F287-V307 HydrophobicContact CD2-CB 4.42Å; F287-V307 HydrophobicContact CD2-CG1 4.48Å; F287-V307 HydrophobicContact CD2-CG2 4.41Å; F287-V307 HydrophobicContact CE2-CB 4.4Å; F287-V307 HydrophobicContact CE2-CG2 4.17Å; F287-D335 WeakPolarHBondContact CB-OD1 3.36Å; F287-D335 PolarHBondContact N-OD1 2.89Å; F287-D335 PolarHBondContact N-OD2 3.07Å
288G95.8Very high95Very high4 Ų422.7 Ų22.74%0.04113%0.126CC..  trans64.6-10179.100000115.7S316 D335G288-S316 WeakPolarHBondContact O-CB 3.41Å; G288-S316 PolarHBondContact O-OG 3.41Å; G288-D335 PolarHBondContact N-OD1 2.99Å
289H97.4Very high94.6Very high6 Ų625.4 Ų25.43%0.02814%0.144CC..  trans-130.120.9-167-64.9-75.4000112.7R159 F287 H291 N294 N309 G310 V314 S316R159-H289 PolarHBondContact NH2-ND1 2.95Å; R159-H289 VanDerWaalsContact NH2-ND1 3.1Å; F287-H289 HydrophobicContact CD2-CB 4.14Å; F287-H289 HydrophobicContact CE2-CB 3.94Å; F287-H289 PolarHBondContact O-CD2 3.36Å; F287-H289 PolarHBondContact O-N 2.91Å; H289-H291 PolarHBondContact O-CD2 2.96Å; H289-H291 VanDerWaalsContact O-CD2 3.24Å; H289-H291 PolarHBondContact O-N 3Å; H289-N294 PolarHBondContact O-ND2 2.91Å; H289-N309 HydrophobicContact CB-CB 4.28Å; H289-N309 WeakPolarHBondContact CD2-CB 3.3Å; H289-N309 WeakPolarHBondContact NE2-CB 3.46Å; H289-G310 PolarHBondContact CD2-N 3.16Å; H289-G310 PolarHBondContact NE2-N 3.4Å; H289-V314 PolarHBondContact CE1-O 3.42Å; H289-V314 PolarHBondContact NE2-O 2.94Å; H289-S316 PolarHBondContact CE1-N 3.42Å; H289-S316 WeakPolarHBondContact ND1-CA 3.22Å
290L98.3Very high94.4Very high1 Ų126.3 Ų26.31%0.00516%0.156CC..  trans-67.9121.4179.1-177.864.4000110.8I273 L277 F287 V295 L304 C338 F339 L342I273-L290 HydrophobicContact CG2-CD1 3.93Å; I273-L290 HydrophobicContact CG2-CD2 3.73Å; L277-L290 HydrophobicContact CD1-CD2 3.99Å; F287-L290 HydrophobicContact CD1-CB 3.61Å; F287-L290 HydrophobicContact CD1-CD1 4.02Å; F287-L290 HydrophobicContact CD1-CG 4.37Å; F287-L290 HydrophobicContact CE1-CB 3.77Å; F287-L290 HydrophobicContact CE1-CD1 3.64Å; F287-L290 HydrophobicContact CE1-CG 4.32Å; L290-V295 HydrophobicContact CD1-CG2 4.16Å; L290-L304 HydrophobicContact CD1-CD2 3.84Å; L290-C338 HydrophobicContact CB-CB 3.73Å; L290-C338 WeakPolarHBondContact O-CB 3.45Å; L290-F339 HydrophobicContact CD2-CB 3.84Å; L290-F339 HydrophobicContact CD2-CD2 4.19Å; L290-L342 HydrophobicContact CD1-CD2 3.54Å; L290-L342 HydrophobicContact CD2-CD2 4.2Å; L290-L342 HydrophobicContact CG-CD2 3.77Å
291H97.5Very high94.3Very high18 Ų1827.6 Ų27.68%0.08316%0.164CC..SBendtrans-163.5167.5169.856.473.8000108.9H289 S293 N294H289-H291 PolarHBondContact O-CD2 2.96Å; H289-H291 VanDerWaalsContact O-CD2 3.24Å; H289-H291 PolarHBondContact O-N 3Å; H291-S293 WeakPolarHBondContact ND1-CB 3.33Å; H291-S293 PolarHBondContact ND1-N 3.05Å; H291-S293 PolarHBondContact O-N 3.23Å; H291-S293 VanDerWaalsContact O-N 3.09Å; H291-N294 PolarHBondContact CE1-ND2 2.99Å; H291-N294 PolarHBondContact CE1-OD1 3.26Å; H291-N294 PolarHBondContact ND1-N 3.47Å; H291-N294 PolarHBondContact NE2-ND2 3.18Å; H291-N294 PolarHBondContact O-N 3.43Å
292A98Very high94.2Very high0 Ų026.2 Ų26.20%016%0.158CC..G310 helixtrans-61.1-28.9-17100000113.4L235 R236 I239 N294 V295 L342 E345L235-A292 WeakPolarHBondContact CB-O 3.42Å; L235-A292 PolarHBondContact N-O 3.4Å; R236-A292 HydrophobicContact CB-CB 3.62Å; R236-A292 HydrophobicContact CG-CB 3.99Å; R236-A292 PolarHBondContact N-O 3Å; I239-A292 HydrophobicContact CD1-CB 4.49Å; A292-N294 VanDerWaalsContact C-N 3.28Å; A292-N294 PolarHBondContact O-N 3.3Å; A292-V295 PolarHBondContact O-N 2.99Å; A292-L342 HydrophobicContact CB-CD1 3.65Å; A292-E345 HydrophobicContact CB-CG 4.44Å; A292-E345 VanDerWaalsContact CB-OE2 3.25Å; A292-E345 WeakPolarHBondContact CB-OE2 3.44Å
293S97.1Very high94.3Very high26 Ų2625.2 Ų25.218%0.18215%0.146CC..G310 helixtrans-74.3-12175.4-490000115R236 H291R236-S293 WeakPolarHBondContact CB-OG 3.42Å; R236-S293 WeakPolarHBondContact CD-OG 3.43Å; H291-S293 WeakPolarHBondContact ND1-CB 3.33Å; H291-S293 PolarHBondContact ND1-N 3.05Å; H291-S293 PolarHBondContact O-N 3.23Å; H291-S293 VanDerWaalsContact O-N 3.09Å
294N97.5Very high94.5Very high7 Ų724.8 Ų24.84%0.03714%0.143CC..G310 helixtrans-104.319.8174.3-69.6-4.9000112.4F287 H289 H291 A292 L304 V305F287-N294 HydrophobicContact CZ-CB 3.96Å; H289-N294 PolarHBondContact O-ND2 2.91Å; H291-N294 PolarHBondContact CE1-ND2 2.99Å; H291-N294 PolarHBondContact CE1-OD1 3.26Å; H291-N294 PolarHBondContact ND1-N 3.47Å; H291-N294 PolarHBondContact NE2-ND2 3.18Å; H291-N294 PolarHBondContact O-N 3.43Å; A292-N294 VanDerWaalsContact C-N 3.28Å; A292-N294 PolarHBondContact O-N 3.3Å; N294-L304 WeakPolarHBondContact O-CA 3.49Å; N294-V305 HydrophobicContact CB-CG2 4.2Å; N294-V305 WeakPolarHBondContact O-CG2 3.37Å; N294-V305 PolarHBondContact O-N 3.47Å
295V97.9Very high94.7Very high0 Ų023.9 Ų23.90%013%0.131CC..EExtended strand (participates in β ladder)trans-120.7123.6173.3-1770000108.1S234 L235 I273 L290 A292 V297 C302 L304 L342S234-V295 CarbonylContact C-O 3.32Å; S234-V295 WeakPolarHBondContact CA-O 3.44Å; L235-V295 HydrophobicContact CB-CB 3.98Å; L235-V295 HydrophobicContact CB-CG1 4.21Å; L235-V295 HydrophobicContact CD2-CB 4.27Å; L235-V295 HydrophobicContact CD2-CG1 4.13Å; L235-V295 PolarHBondContact N-O 2.98Å; I273-V295 HydrophobicContact CD1-CG2 4.41Å; L290-V295 HydrophobicContact CD1-CG2 4.16Å; A292-V295 PolarHBondContact O-N 2.99Å; V295-V297 HydrophobicContact CG1-CG2 4.24Å; V295-C302 HydrophobicContact CG1-CB 3.99Å; V295-L304 HydrophobicContact CG2-CD2 3.9Å; V295-L342 HydrophobicContact CG2-CD2 3.93Å
296M96.2Very high94.9Very high42 Ų4224.1 Ų24.121%0.20713%0.132CC..EExtended strand (participates in β ladder)trans-97.7140.5169.8-64.3-61.3-136.100109C302 R303 V305M296-C302 CarbonylContact O-C 3.5Å; M296-C302 VanDerWaalsContact O-CA 3.28Å; M296-C302 WeakPolarHBondContact O-CA 3.46Å; M296-R303 PolarHBondContact N-O 3.28Å; M296-R303 PolarHBondContact O-N 2.97Å; M296-V305 HydrophobicContact CB-CG1 4.48Å; M296-V305 HydrophobicContact CG-CG1 3.47Å; M296-V305 VanDerWaalsContact CG-CG1 3.47Å; M296-V305 HydrophobicContact CG-CG2 4.35Å
297V93.9Very high95Very high9 Ų923.3 Ų23.36%0.05513%0.13CC..EExtended strand (participates in β ladder)trans-125.6122.3177-175.50000109.4L235 Q238 F269 V295 V301L235-V297 HydrophobicContact CB-CG2 4.15Å; L235-V297 HydrophobicContact CD1-CG2 3.97Å; Q238-V297 PolarHBondContact NE2-O 3.18Å; F269-V297 HydrophobicContact CE1-CG1 3.99Å; F269-V297 HydrophobicContact CE2-CG1 4.16Å; F269-V297 HydrophobicContact CE2-CG2 4.37Å; F269-V297 HydrophobicContact CZ-CG1 3.56Å; V295-V297 HydrophobicContact CG1-CG2 4.24Å; V297-V301 WeakPolarHBondContact CA-O 3.48Å
298D89.2Confident95Very high66 Ų6623.5 Ų23.535%0.35313%0.13SC..EExtended strand (participates in β ladder)trans-136.8121.4177.1-167.133.8000109.1R232 G300 V301R232-D298 IonicContact CZ-OD1 2.85Å; R232-D298 IonicContact NE-OD1 3.35Å; R232-D298 PolarHBondContact NE-OD1 3.15Å; R232-D298 IonicContact NH1-OD1 2.99Å; R232-D298 IonicContact NH2-OD1 2.7Å; R232-D298 PolarHBondContact NH2-OD1 3.38Å; D298-G300 VanDerWaalsContact C-N 3.26Å; D298-G300 PolarHBondContact O-N 2.85Å; D298-G300 VanDerWaalsContact O-N 3.12Å; D298-V301 PolarHBondContact N-O 3.41Å; D298-V301 WeakPolarHBondContact O-CB 3.19Å; D298-V301 PolarHBondContact O-N 3.05Å
299D88.3Confident95Very high123 Ų12323.3 Ų23.366%0.65813%0.128SC*.THydrogen-bonded Turntrans45.245.8178.5-56.2-24000114.6R232 V301R232-D299 IonicContact CZ-OD1 3.17Å; R232-D299 IonicContact NH1-OD1 2.74Å; R232-D299 PolarHBondContact NH1-OD1 3.45Å; R232-D299 IonicContact NH2-OD1 2.92Å; R232-D299 PolarHBondContact NH2-OD1 3.43Å; R232-D299 IonicContact NH2-OD2 2.83Å; D299-V301 VanDerWaalsContact C-N 3.33Å; D299-V301 PolarHBondContact O-N 3.18Å
300G89.1Confident94.7Very high32 Ų3223.5 Ų23.533%0.3313%0.132SC..THydrogen-bonded Turntrans808.3178.300000115.1L268 Q272 D298L268-G300 WeakPolarHBondContact CD2-O 3.3Å; Q272-G300 PolarHBondContact NE2-O 2.83Å; Q272-G300 VanDerWaalsContact NE2-O 3.15Å; D298-G300 VanDerWaalsContact C-N 3.26Å; D298-G300 PolarHBondContact O-N 2.85Å; D298-G300 VanDerWaalsContact O-N 3.12Å
301V91.9Very high94.5Very high27 Ų2724.3 Ų24.316%0.16414%0.136CC..EExtended strand (participates in β ladder)trans-110.3117.8176.2-175.40000110.2Y209 V297 D298 D299 R303Y209-V301 HydrophobicContact CD1-CG1 4.04Å; Y209-V301 HydrophobicContact CE1-CG1 4.17Å; V297-V301 WeakPolarHBondContact CA-O 3.48Å; D298-V301 PolarHBondContact N-O 3.41Å; D298-V301 WeakPolarHBondContact O-CB 3.19Å; D298-V301 PolarHBondContact O-N 3.05Å; D299-V301 VanDerWaalsContact C-N 3.33Å; D299-V301 PolarHBondContact O-N 3.18Å; V301-R303 HydrophobicContact CG1-CG 4.31Å
302C93.4Very high94.4Very high2 Ų223.4 Ų23.41%0.01413%0.132CC..EExtended strand (participates in β ladder)trans-81130.9169.4-75.30000110.8F269 Q272 V295 M296F269-C302 WeakPolarHBondContact CB-SG 3.45Å; F269-C302 WeakPolarHBondContact CD1-SG 3.29Å; F269-C302 WeakPolarHBondContact CG-SG 3.46Å; Q272-C302 HydrophobicContact CB-CB 4.33Å; V295-C302 HydrophobicContact CG1-CB 3.99Å; M296-C302 CarbonylContact O-C 3.5Å; M296-C302 VanDerWaalsContact O-CA 3.28Å; M296-C302 WeakPolarHBondContact O-CA 3.46Å
303R94.6Very high94.3Very high82 Ų8223.5 Ų23.531%0.30913%0.133SC..EExtended strand (participates in β ladder)trans-124.9127.1171.3-64.3-173.9-175.591.3-4.2110.6A208 Y209 M296 V301A208-R303 PolarHBondContact O-NE 3.01Å; Y209-R303 CarbonylContact O-C 3.59Å; Y209-R303 VanDerWaalsContact O-CA 3.25Å; Y209-R303 WeakPolarHBondContact O-CA 3.47Å; M296-R303 PolarHBondContact N-O 3.28Å; M296-R303 PolarHBondContact O-N 2.97Å; V301-R303 HydrophobicContact CG1-CG 4.31Å
304L96.4Very high94.2Very high2 Ų222.7 Ų22.71%0.0113%0.126CC..EExtended strand (participates in β ladder)trans-72.5134173.3-54.4-174.5000109.7Y209 L210 S211 I273 S276 F287 L290 N294 V295 V307Y209-L304 PolarHBondContact O-N 3.3Å; L210-L304 HydrophobicContact CD2-CB 3.8Å; L210-L304 HydrophobicContact CD2-CD1 3.99Å; L210-L304 HydrophobicContact CD2-CG 4.1Å; S211-L304 WeakPolarHBondContact CB-O 3.42Å; S211-L304 PolarHBondContact N-O 3.5Å; I273-L304 HydrophobicContact CG1-CD2 4.18Å; I273-L304 HydrophobicContact CG2-CD2 4.46Å; S276-L304 VanDerWaalsContact CB-CD1 3.49Å; F287-L304 HydrophobicContact CD1-CD1 3.8Å; F287-L304 HydrophobicContact CE1-CB 4.14Å; F287-L304 HydrophobicContact CE1-CD1 3.8Å; F287-L304 HydrophobicContact CE1-CD2 4.07Å; F287-L304 HydrophobicContact CE1-CG 4.23Å; F287-L304 HydrophobicContact CZ-CB 4.28Å; L290-L304 HydrophobicContact CD1-CD2 3.84Å; N294-L304 WeakPolarHBondContact O-CA 3.49Å; V295-L304 HydrophobicContact CG2-CD2 3.9Å; L304-V307 HydrophobicContact CB-CG2 3.99Å
305V96Very high94.1Very high15 Ų1522.9 Ų22.99%0.09113%0.128CC..  trans-113.5164.3172.4-67.40000110.2F287 N294 M296 V307F287-V305 WeakPolarHBondContact CZ-O 3.21Å; N294-V305 HydrophobicContact CB-CG2 4.2Å; N294-V305 WeakPolarHBondContact O-CG2 3.37Å; N294-V305 PolarHBondContact O-N 3.47Å; M296-V305 HydrophobicContact CB-CG1 4.48Å; M296-V305 HydrophobicContact CG-CG1 3.47Å; M296-V305 VanDerWaalsContact CG-CG1 3.47Å; M296-V305 HydrophobicContact CG-CG2 4.35Å; V305-V307 PolarHBondContact O-N 3.01Å
306D95.8Very high93.9Very high15 Ų1523.2 Ų23.28%0.0813%0.131CC..  trans55.732.6-179.6-64.5-25.9000114.6K162 R227 E308 N309K162-D306 IonicContact NZ-OD1 3.01Å; K162-D306 PolarHBondContact NZ-OD1 3.13Å; K162-D306 IonicContact NZ-OD2 3.72Å; K162-D306 PolarHBondContact NZ-OD2 2.89Å; R227-D306 IonicContact CZ-OD1 3.1Å; R227-D306 IonicContact NH1-OD1 2.81Å; R227-D306 PolarHBondContact NH1-OD1 3.05Å; R227-D306 IonicContact NH2-OD1 2.71Å; R227-D306 PolarHBondContact NH2-OD1 3.49Å; D306-E308 VanDerWaalsContact C-OE2 3.3Å; D306-E308 WeakPolarHBondContact CA-OE1 3.5Å; D306-E308 VanDerWaalsContact CA-OE2 3.29Å; D306-E308 WeakPolarHBondContact CA-OE2 3.44Å; D306-E308 PolarHBondContact O-N 3.31Å; D306-N309 WeakPolarHBondContact CB-ND2 3.32Å; D306-N309 WeakPolarHBondContact O-CB 3.31Å; D306-N309 VanDerWaalsContact O-CG 3.24Å; D306-N309 PolarHBondContact O-N 3.27Å; D306-N309 VanDerWaalsContact O-N 3.11Å; D306-N309 PolarHBondContact O-ND2 3.3Å; D306-N309 VanDerWaalsContact O-ND2 3.14Å
307V95.3Very high93.9Very high12 Ų1223.6 Ų23.67%0.07314%0.135CC..THydrogen-bonded Turntrans-59.2-27.5177.5-179.30000111.4L202 L210 L280 F287 L304 V305 N309L202-V307 HydrophobicContact CD1-CB 4.23Å; L202-V307 HydrophobicContact CD1-CG1 4.34Å; L202-V307 HydrophobicContact CD2-CB 4.48Å; L202-V307 HydrophobicContact CD2-CG1 4.04Å; L210-V307 HydrophobicContact CD2-CG2 4.05Å; L280-V307 HydrophobicContact CD1-CG1 3.94Å; L280-V307 HydrophobicContact CD2-CG1 3.87Å; F287-V307 HydrophobicContact CD2-CB 4.42Å; F287-V307 HydrophobicContact CD2-CG1 4.48Å; F287-V307 HydrophobicContact CD2-CG2 4.41Å; F287-V307 HydrophobicContact CE2-CB 4.4Å; F287-V307 HydrophobicContact CE2-CG2 4.17Å; L304-V307 HydrophobicContact CB-CG2 3.99Å; V305-V307 PolarHBondContact O-N 3.01Å; V307-N309 VanDerWaalsContact C-N 3.25Å; V307-N309 PolarHBondContact O-N 3.37Å
308E95.3Very high94Very high4 Ų424.4 Ų24.42%0.01914%0.139CC..THydrogen-bonded Turntrans-70.9-13.7178.175.3-62.7151.300115.5L199 L202 L225 R227 D306 G310 M311 L312L199-E308 HydrophobicContact CD2-CB 3.38Å; L199-E308 HydrophobicContact CD2-CG 3.89Å; L202-E308 HydrophobicContact CD1-CB 3.66Å; L225-E308 HydrophobicContact CD1-CG 3.77Å; L225-E308 VanDerWaalsContact CD1-OE1 3.31Å; L225-E308 WeakPolarHBondContact CD1-OE1 3.38Å; L225-E308 HydrophobicContact CD2-CG 4.28Å; R227-E308 IonicContact CZ-OE1 2.89Å; R227-E308 IonicContact CZ-OE2 3.02Å; R227-E308 IonicContact NH2-OE1 3.74Å; R227-E308 PolarHBondContact NH2-OE1 3.49Å; R227-E308 IonicContact NH2-OE2 3.79Å; R227-E308 PolarHBondContact NH2-OE2 2.96Å; D306-E308 VanDerWaalsContact C-OE2 3.3Å; D306-E308 WeakPolarHBondContact CA-OE1 3.5Å; D306-E308 VanDerWaalsContact CA-OE2 3.29Å; D306-E308 WeakPolarHBondContact CA-OE2 3.44Å; D306-E308 PolarHBondContact O-N 3.31Å; E308-G310 PolarHBondContact O-N 2.99Å; E308-G310 VanDerWaalsContact O-N 3.11Å; E308-M311 HydrophobicContact CB-CE 3.78Å; E308-M311 WeakPolarHBondContact O-CA 3.41Å; E308-M311 WeakPolarHBondContact O-CB 3.19Å; E308-M311 PolarHBondContact O-N 3.42Å; E308-L312 HydrophobicContact CG-CD1 3.69Å; E308-L312 HydrophobicContact CG-CG 4.13Å; E308-L312 WeakPolarHBondContact O-CG 3.47Å; E308-L312 PolarHBondContact O-N 2.75Å
309N95.7Very high94.3Very high0 Ų021.8 Ų21.80%012%0.124CC..Hα-helixtrans-52.4-38.7-176.5-79.2-29.8000112.7R159 H289 D306 V307 M311 L312 G313 V314R159-N309 PolarHBondContact NH1-ND2 3.08Å; R159-N309 PolarHBondContact NH2-ND2 3Å; H289-N309 HydrophobicContact CB-CB 4.28Å; H289-N309 WeakPolarHBondContact CD2-CB 3.3Å; H289-N309 WeakPolarHBondContact NE2-CB 3.46Å; D306-N309 WeakPolarHBondContact CB-ND2 3.32Å; D306-N309 WeakPolarHBondContact O-CB 3.31Å; D306-N309 VanDerWaalsContact O-CG 3.24Å; D306-N309 PolarHBondContact O-N 3.27Å; D306-N309 VanDerWaalsContact O-N 3.11Å; D306-N309 PolarHBondContact O-ND2 3.3Å; D306-N309 VanDerWaalsContact O-ND2 3.14Å; V307-N309 VanDerWaalsContact C-N 3.25Å; V307-N309 PolarHBondContact O-N 3.37Å; N309-M311 VanDerWaalsContact C-N 3.29Å; N309-M311 PolarHBondContact O-N 3.25Å; N309-L312 PolarHBondContact O-N 3.38Å; N309-G313 PolarHBondContact O-N 2.88Å; N309-G313 VanDerWaalsContact O-N 3.09Å; N309-V314 HydrophobicContact CB-CG2 3.59Å; N309-V314 WeakPolarHBondContact O-CG2 3.13Å; N309-V314 PolarHBondContact O-N 3.08Å
310G92.3Very high94.5Very high10 Ų1018.4 Ų18.410%0.10311%0.109CC..Hα-helixtrans-64-33.7178.500000112.9H289 E308 G313H289-G310 PolarHBondContact CD2-N 3.16Å; H289-G310 PolarHBondContact NE2-N 3.4Å; E308-G310 PolarHBondContact O-N 2.99Å; E308-G310 VanDerWaalsContact O-N 3.11Å; G310-G313 PolarHBondContact O-N 3.33Å
311M93.2Very high94.8Very high18 Ų1818.2 Ų18.29%0.08910%0.104CC..Hα-helixtrans-80.6-32.1177.4-59.2-178.5-72.900112.3L190 L195 A198 L199 L202 L285 E308 N309 G313 L420L190-M311 HydrophobicContact CD1-CB 4.03Å; L190-M311 HydrophobicContact CD1-CG 4.25Å; L195-M311 HydrophobicContact CD1-CB 3.78Å; L195-M311 WeakPolarHBondContact CD1-O 3.26Å; A198-M311 HydrophobicContact CB-CE 4.44Å; A198-M311 HydrophobicContact CB-SD 3.34Å; A198-M311 WeakPolarHBondContact CB-SD 3.37Å; L199-M311 HydrophobicContact CD2-CE 4.24Å; L202-M311 HydrophobicContact CD1-CE 3.35Å; L202-M311 HydrophobicContact CG-CE 4.06Å; L285-M311 HydrophobicContact CD2-SD 4.15Å; E308-M311 HydrophobicContact CB-CE 3.78Å; E308-M311 WeakPolarHBondContact O-CA 3.41Å; E308-M311 WeakPolarHBondContact O-CB 3.19Å; E308-M311 PolarHBondContact O-N 3.42Å; N309-M311 VanDerWaalsContact C-N 3.29Å; N309-M311 PolarHBondContact O-N 3.25Å; M311-G313 PolarHBondContact O-N 3.29Å; M311-L420 HydrophobicContact SD-CD2 4.48Å
312L95.9Very high95Very high0 Ų017.1 Ų17.10%010%0.097CC..Hα-helixtrans-70.9-10.8171.5-62.6178.1000112.7V182 L184 G185 L195 A223 L225 E308 N309 V314V182-L312 HydrophobicContact CG1-CD1 3.66Å; L184-L312 HydrophobicContact CD2-CB 4.39Å; L184-L312 HydrophobicContact CD2-CD2 3.71Å; G185-L312 PolarHBondContact N-O 3.31Å; L195-L312 HydrophobicContact CD1-CD2 4.3Å; L195-L312 HydrophobicContact CD2-CD2 4.33Å; A223-L312 HydrophobicContact CB-CD1 4.4Å; A223-L312 HydrophobicContact CB-CD2 3.58Å; L225-L312 HydrophobicContact CD1-CD1 4.06Å; E308-L312 HydrophobicContact CG-CD1 3.69Å; E308-L312 HydrophobicContact CG-CG 4.13Å; E308-L312 WeakPolarHBondContact O-CG 3.47Å; E308-L312 PolarHBondContact O-N 2.75Å; N309-L312 PolarHBondContact O-N 3.38Å; L312-V314 HydrophobicContact CB-CG1 4.27Å; L312-V314 PolarHBondContact O-N 3Å
313G94.9Very high95.1Very high1 Ų117.5 Ų17.51%0.0110%0.1CC..THydrogen-bonded Turntrans71.712.6177.300000114.7G185 D187 N309 G310 M311G185-G313 CarbonylContact C-O 3.56Å; G185-G313 WeakPolarHBondContact CA-O 3.42Å; D187-G313 WeakPolarHBondContact CB-O 3.28Å; D187-G313 PolarHBondContact N-O 3.48Å; D187-G313 WeakPolarHBondContact O-CA 3.48Å; N309-G313 PolarHBondContact O-N 2.88Å; N309-G313 VanDerWaalsContact O-N 3.09Å; G310-G313 PolarHBondContact O-N 3.33Å; M311-G313 PolarHBondContact O-N 3.29Å
314V96.1Very high95Very high9 Ų916.4 Ų16.46%0.05510%0.098CC..PPolyproline II helixtrans-71.6145.3179.7-63.10000109.8V182 D183 H289 N309 L312V182-V314 HydrophobicContact CG2-CG1 3.95Å; D183-V314 WeakPolarHBondContact O-CG1 3.42Å; H289-V314 PolarHBondContact CE1-O 3.42Å; H289-V314 PolarHBondContact NE2-O 2.94Å; N309-V314 HydrophobicContact CB-CG2 3.59Å; N309-V314 WeakPolarHBondContact O-CG2 3.13Å; N309-V314 PolarHBondContact O-N 3.08Å; L312-V314 HydrophobicContact CB-CG1 4.27Å; L312-V314 PolarHBondContact O-N 3Å
315P94Very high94.9Very high12 Ų1217.5 Ų17.58%0.07810%0.104CC..PPolyproline II helixtrans-71.6150.5-176.529.5-35.9000112D16 T18D16-P315 VanDerWaalsContact OD1-CB 3.28Å; D16-P315 WeakPolarHBondContact OD1-CB 3.31Å; D16-P315 WeakPolarHBondContact OD1-CG 3.35Å; T18-P315 HydrophobicContact CG2-CB 3.63Å; T18-P315 HydrophobicContact CG2-CG 3.82Å
316S95.5Very high94.8Very high7 Ų723.2 Ų23.25%0.04912%0.124CC..PPolyproline II helixtrans-84142.2177.1-176.90000111.4G288 H289 L318 R319G288-S316 WeakPolarHBondContact O-CB 3.41Å; G288-S316 PolarHBondContact O-OG 3.41Å; H289-S316 PolarHBondContact CE1-N 3.42Å; H289-S316 WeakPolarHBondContact ND1-CA 3.22Å; S316-L318 PolarHBondContact O-N 2.71Å; S316-R319 WeakPolarHBondContact O-CB 3.39Å; S316-R319 PolarHBondContact O-N 3.48Å
317V95Very high94.7Very high50 Ų5027.8 Ų27.830%0.30314%0.143SC..THydrogen-bonded Turntrans-59.9-29.317872.60000112.1W158 P320W158-V317 HydrophobicContact CD2-CB 4.42Å; W158-V317 HydrophobicContact CD2-CG2 4.16Å; W158-V317 HydrophobicContact CG-CG2 4.39Å; W158-V317 HydrophobicContact CH2-CB 4.49Å; W158-V317 HydrophobicContact CZ2-CB 3.69Å; W158-V317 HydrophobicContact CZ2-CG2 4.27Å; V317-P320 WeakPolarHBondContact O-CD 3.31Å
318L95.9Very high94.7Very high26 Ų2627.3 Ų27.314%0.13614%0.14CC..THydrogen-bonded Turntrans-90.10.4178.7-62.9-178.6000113.2S316 A321 F322 F337 C338 H341S316-L318 PolarHBondContact O-N 2.71Å; L318-A321 WeakPolarHBondContact O-CA 3.48Å; L318-A321 WeakPolarHBondContact O-CB 3.4Å; L318-A321 PolarHBondContact O-N 3.07Å; L318-F322 VanDerWaalsContact C-CD1 3.44Å; L318-F322 HydrophobicContact CB-CD1 4.15Å; L318-F322 HydrophobicContact CB-CE1 4.38Å; L318-F322 WeakPolarHBondContact O-CD1 3.18Å; L318-F322 PolarHBondContact O-N 2.81Å; L318-F337 HydrophobicContact CB-CE1 4.39Å; L318-C338 HydrophobicContact CD1-CB 4.11Å; L318-H341 HydrophobicContact CD1-CB 3.77Å
319R95.4Very high94.7Very high10 Ų1030 Ų304%0.03815%0.154CC..Hα-helixtrans-53.1-46.3177.6-172.2-177.2-165.5105-1.6112.9D16 D187 S316 A321 F322 T323 R430 E434D16-R319 IonicContact OD2-NE 3.69Å; D187-R319 IonicContact OD2-CZ 2.7Å; D187-R319 IonicContact OD2-NH1 3.82Å; D187-R319 PolarHBondContact OD2-NH1 3.25Å; D187-R319 IonicContact OD2-NH2 3.72Å; S316-R319 WeakPolarHBondContact O-CB 3.39Å; S316-R319 PolarHBondContact O-N 3.48Å; R319-A321 PolarHBondContact O-N 3.27Å; R319-A321 VanDerWaalsContact O-N 3.12Å; R319-F322 HydrophobicContact CB-CE1 4.05Å; R319-F322 HydrophobicContact CB-CE2 4.15Å; R319-F322 HydrophobicContact CB-CZ 3.65Å; R319-F322 HydrophobicContact CG-CE2 3.83Å; R319-F322 HydrophobicContact CG-CZ 3.79Å; R319-F322 PolarHBondContact O-N 2.85Å; R319-T323 HydrophobicContact CG-CG2 3.62Å; R319-T323 VanDerWaalsContact O-CB 3.29Å; R319-T323 WeakPolarHBondContact O-CB 3.31Å; R319-T323 WeakPolarHBondContact O-CG2 3.42Å; R319-T323 PolarHBondContact O-N 3.31Å; R319-T323 PolarHBondContact O-OG1 3.17Å; R319-R430 VanDerWaalsContact NH2-CZ 3.33Å; R319-E434 IonicContact CZ-OE2 3.03Å; R319-E434 VanDerWaalsContact CZ-OE2 3.29Å; R319-E434 IonicContact NE-OE1 2.75Å; R319-E434 IonicContact NE-OE2 2.57Å; R319-E434 PolarHBondContact NE-OE2 2.98Å; R319-E434 VanDerWaalsContact NH2-CD 3.29Å; R319-E434 IonicContact NH2-OE1 3.88Å; R319-E434 PolarHBondContact NH2-OE1 3.28Å; R319-E434 IonicContact NH2-OE2 3.38Å; R319-E434 PolarHBondContact NH2-OE2 3.06Å
320P93.8Very high94.8Very high52 Ų5232.2 Ų32.234%0.33817%0.168SC..Hα-helixtrans-60.7-24.3178.2-25.437.6000113.9T18 V317 T323 Q324T18-P320 WeakPolarHBondContact O-CG 3.37Å; V317-P320 WeakPolarHBondContact O-CD 3.31Å; P320-T323 PolarHBondContact O-OG1 2.99Å; P320-Q324 VanDerWaalsContact O-CG 3.28Å; P320-Q324 WeakPolarHBondContact O-CG 3.5Å
321A94.6Very high95Very high28 Ų2831.8 Ų31.823%0.23116%0.163CC..Hα-helixtrans-82.8-55.5177.200000111.5L318 R319 T323 Q324 F337 V355L318-A321 WeakPolarHBondContact O-CA 3.48Å; L318-A321 WeakPolarHBondContact O-CB 3.4Å; L318-A321 PolarHBondContact O-N 3.07Å; R319-A321 PolarHBondContact O-N 3.27Å; R319-A321 VanDerWaalsContact O-N 3.12Å; A321-T323 VanDerWaalsContact C-N 3.34Å; A321-T323 PolarHBondContact O-N 3.42Å; A321-Q324 WeakPolarHBondContact O-CB 3.22Å; A321-Q324 PolarHBondContact O-N 2.85Å; A321-Q324 VanDerWaalsContact O-N 3.13Å; A321-F337 HydrophobicContact CB-CE1 4.12Å; A321-F337 HydrophobicContact CB-CZ 4.06Å; A321-V355 HydrophobicContact CB-CG2 4.22Å
322F95.6Very high95.2Very high5 Ų533.6 Ų33.62%0.02217%0.172CC..Hα-helixtrans-71.9-25.2-175.562.7-115.2000113.7L318 R319 Q324 L325 I328 I334 F337 L431 Q435L318-F322 VanDerWaalsContact C-CD1 3.44Å; L318-F322 HydrophobicContact CB-CD1 4.15Å; L318-F322 HydrophobicContact CB-CE1 4.38Å; L318-F322 WeakPolarHBondContact O-CD1 3.18Å; L318-F322 PolarHBondContact O-N 2.81Å; R319-F322 HydrophobicContact CB-CE1 4.05Å; R319-F322 HydrophobicContact CB-CE2 4.15Å; R319-F322 HydrophobicContact CB-CZ 3.65Å; R319-F322 HydrophobicContact CG-CE2 3.83Å; R319-F322 HydrophobicContact CG-CZ 3.79Å; R319-F322 PolarHBondContact O-N 2.85Å; F322-Q324 PolarHBondContact O-N 3.32Å; F322-Q324 VanDerWaalsContact O-N 3.15Å; F322-L325 PolarHBondContact O-N 3.44Å; F322-I328 HydrophobicContact CB-CB 4.21Å; F322-I328 HydrophobicContact CB-CD1 4.08Å; F322-I328 HydrophobicContact CB-CG2 3.86Å; F322-I334 HydrophobicContact CD1-CG2 4.1Å; F322-I334 HydrophobicContact CD2-CG1 4.29Å; F322-I334 HydrophobicContact CE1-CG2 3.72Å; F322-I334 HydrophobicContact CE2-CD1 4.12Å; F322-I334 HydrophobicContact CE2-CG1 4.24Å; F322-I334 HydrophobicContact CG-CG1 4.49Å; F322-I334 HydrophobicContact CZ-CD1 4.24Å; F322-I334 HydrophobicContact CZ-CG1 4.35Å; F322-I334 HydrophobicContact CZ-CG2 4.1Å; F322-F337 HydrophobicContact CB-CD1 3.91Å; F322-F337 HydrophobicContact CB-CE1 3.83Å; F322-F337 HydrophobicContact CB-CZ 4.44Å; F322-F337 HydrophobicContact CD1-CD1 4.29Å; F322-F337 HydrophobicContact CD1-CE1 4.41Å; F322-L431 HydrophobicContact CD2-CD1 3.95Å; F322-L431 HydrophobicContact CD2-CD2 4.48Å; F322-L431 HydrophobicContact CE2-CD1 3.92Å; F322-L431 HydrophobicContact CE2-CD2 4.4Å; F322-Q435 PolarHBondContact O-NE2 3.47Å
323T95.3Very high95.3Very high10 Ų1034.3 Ų34.36%0.06118%0.177CC..THydrogen-bonded Turntrans-63.7-15.9172.350.70000113R319 P320 A321 L325 L431 Q435 L438R319-T323 HydrophobicContact CG-CG2 3.62Å; R319-T323 VanDerWaalsContact O-CB 3.29Å; R319-T323 WeakPolarHBondContact O-CB 3.31Å; R319-T323 WeakPolarHBondContact O-CG2 3.42Å; R319-T323 PolarHBondContact O-N 3.31Å; R319-T323 PolarHBondContact O-OG1 3.17Å; P320-T323 PolarHBondContact O-OG1 2.99Å; A321-T323 VanDerWaalsContact C-N 3.34Å; A321-T323 PolarHBondContact O-N 3.42Å; T323-L325 VanDerWaalsContact C-N 3.34Å; T323-L431 HydrophobicContact CG2-CD1 3.63Å; T323-Q435 WeakPolarHBondContact O-CG 3.36Å; T323-L438 WeakPolarHBondContact O-CD1 3.49Å
324Q93.3Very high95.5Very high59 Ų5934.5 Ų34.528%0.27618%0.177SC..THydrogen-bonded Turntrans-85-10.4174.3-52.9-56.2-26.800113.1P320 A321 F322 R442P320-Q324 VanDerWaalsContact O-CG 3.28Å; P320-Q324 WeakPolarHBondContact O-CG 3.5Å; A321-Q324 WeakPolarHBondContact O-CB 3.22Å; A321-Q324 PolarHBondContact O-N 2.85Å; A321-Q324 VanDerWaalsContact O-N 3.13Å; F322-Q324 PolarHBondContact O-N 3.32Å; F322-Q324 VanDerWaalsContact O-N 3.15Å; Q324-R442 VanDerWaalsContact CD-NH2 3.28Å
325L94.6Very high95.6Very high25 Ų2534 Ų3413%0.13118%0.175CC..  trans-117.597.5-167.6-59.1176.7000110.5F322 T323 K327 I328 F337 C381 Q435F322-L325 PolarHBondContact O-N 3.44Å; T323-L325 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.7Å; L325-I328 HydrophobicContact CB-CB 4.49Å; L325-I328 HydrophobicContact CB-CD1 3.81Å; L325-I328 HydrophobicContact CB-CG1 3.94Å; L325-I328 HydrophobicContact CD1-CD1 3.53Å; L325-I328 HydrophobicContact CG-CD1 4.31Å; L325-I328 PolarHBondContact O-N 3.02Å; L325-F337 HydrophobicContact CD1-CE2 3.73Å; L325-F337 HydrophobicContact CD1-CZ 4.04Å; L325-C381 HydrophobicContact CD1-CB 4.48Å; L325-C381 HydrophobicContact CD2-CB 4.27Å; L325-Q435 PolarHBondContact O-NE2 2.81Å; L325-Q435 VanDerWaalsContact O-NE2 3.16Å
326R92.4Very high95.8Very high135 Ų13533.7 Ų33.751%0.50917%0.172SC..THydrogen-bonded Turntrans-55.8-25.2-172.4-74.6177.7160.2-170-15.5116.2I328 N329 H439R326-I328 VanDerWaalsContact C-N 3.34Å; R326-N329 PolarHBondContact O-ND2 2.87Å; R326-H439 VanDerWaalsContact CZ-CG 3.4Å; R326-H439 PolarHBondContact NH2-CD2 2.81Å; R326-H439 PolarHBondContact NH2-ND1 3.35Å; R326-H439 PolarHBondContact NH2-NE2 3.48Å; R326-H439 VanDerWaalsContact NH2-NE2 3.18Å
327K94.3Very high95.9Very high111 Ų11133.3 Ų33.348%0.48317%0.17SC..THydrogen-bonded Turntrans-82.2-15.6179.2-70.1-62.6-169.7171.60113.4L325 N329 K382L325-K327 PolarHBondContact O-N 2.7Å; K327-N329 PolarHBondContact O-N 2.96Å; K327-K382 WeakPolarHBondContact CE-O 3.38Å; K327-K382 VanDerWaalsContact CG-O 3.27Å; K327-K382 WeakPolarHBondContact CG-O 3.12Å
328I96.2Very high96.1Very high1 Ų131 Ų311%0.00516%0.155CC..  trans-90.684.6172.7-46.4-177.3000106.5F322 L325 R326 S333 I334 F337 M385 Q435F322-I328 HydrophobicContact CB-CB 4.21Å; F322-I328 HydrophobicContact CB-CD1 4.08Å; F322-I328 HydrophobicContact CB-CG2 3.86Å; L325-I328 HydrophobicContact CB-CB 4.49Å; L325-I328 HydrophobicContact CB-CD1 3.81Å; L325-I328 HydrophobicContact CB-CG1 3.94Å; L325-I328 HydrophobicContact CD1-CD1 3.53Å; L325-I328 HydrophobicContact CG-CD1 4.31Å; L325-I328 PolarHBondContact O-N 3.02Å; R326-I328 VanDerWaalsContact C-N 3.34Å; I328-S333 WeakPolarHBondContact CA-OG 3.49Å; I328-I334 HydrophobicContact CG2-CG1 3.92Å; I328-F337 HydrophobicContact CD1-CB 3.9Å; I328-F337 HydrophobicContact CD1-CD1 4.23Å; I328-F337 HydrophobicContact CD1-CD2 3.25Å; I328-F337 HydrophobicContact CD1-CE2 3.66Å; I328-F337 HydrophobicContact CD1-CG 3.54Å; I328-F337 HydrophobicContact CD1-CZ 4.27Å; I328-F337 HydrophobicContact CG2-CB 4.32Å; I328-M385 HydrophobicContact CD1-CE 4.13Å; I328-M385 HydrophobicContact CD1-SD 4.48Å; I328-M385 HydrophobicContact CG1-CE 3.79Å; I328-M385 HydrophobicContact CG2-CE 4.29Å; I328-Q435 PolarHBondContact O-NE2 3.28Å
329N95.3Very high96.2Very high60 Ų6029.7 Ų29.732%0.32115%0.149SC..  trans-133.9-1.6-17059.532.7000114R326 K327 S333R326-N329 PolarHBondContact O-ND2 2.87Å; K327-N329 PolarHBondContact O-N 2.96Å; N329-S333 PolarHBondContact N-OG 2.94Å; N329-S333 VanDerWaalsContact N-OG 3.15Å
330T97.1Very high96.4Very high48 Ų4829.2 Ų29.229%0.29415%0.147SC..SBendtrans-112.3155.5169.368.70000110.8E332 S333 I334 E428T330-E332 VanDerWaalsContact C-N 3.26Å; T330-E332 PolarHBondContact O-N 3.08Å; T330-S333 PolarHBondContact N-OG 2.92Å; T330-S333 PolarHBondContact O-N 3.33Å; T330-S333 VanDerWaalsContact O-N 3.14Å; T330-S333 PolarHBondContact O-OG 2.78Å; T330-S333 WeakPolarHBondContact OG1-CB 3.41Å; T330-S333 PolarHBondContact OG1-N 2.8Å; T330-S333 VanDerWaalsContact OG1-N 3.09Å; T330-S333 PolarHBondContact OG1-OG 2.95Å; T330-I334 WeakPolarHBondContact O-CG1 3.44Å; T330-I334 PolarHBondContact O-N 3.46Å; T330-E428 WeakPolarHBondContact CA-OE1 3.08Å; T330-E428 WeakPolarHBondContact CB-OE1 3.34Å
331T96.8Very high96.6Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-58.1-37.1174.954.70000113.2F286 I334 D335 K424 L427 E428F286-T331 HydrophobicContact CB-CG2 4.41Å; F286-T331 HydrophobicContact CD1-CG2 3.66Å; F286-T331 HydrophobicContact CD2-CG2 3.8Å; F286-T331 HydrophobicContact CE1-CG2 3.82Å; F286-T331 HydrophobicContact CE2-CG2 3.96Å; F286-T331 VanDerWaalsContact CG-CB 3.41Å; F286-T331 HydrophobicContact CG-CG2 3.68Å; F286-T331 HydrophobicContact CZ-CG2 4Å; T331-I334 WeakPolarHBondContact O-CB 3.5Å; T331-I334 PolarHBondContact O-N 3.37Å; T331-D335 PolarHBondContact O-N 2.9Å; T331-D335 VanDerWaalsContact O-N 3.1Å; T331-K424 HydrophobicContact CG2-CD 4.37Å; T331-K424 HydrophobicContact CG2-CG 3.84Å; T331-K424 WeakPolarHBondContact OG1-CD 3.34Å; T331-K424 WeakPolarHBondContact OG1-CE 3.12Å; T331-K424 PolarHBondContact OG1-NZ 2.91Å; T331-L427 HydrophobicContact CG2-CD2 4.02Å; T331-E428 HydrophobicContact CG2-CG 4.15Å; T331-E428 PolarHBondContact N-OE1 2.92Å
332E97.5Very high96.8Very high56 Ų5626.3 Ų26.326%0.26212%0.124SC..Hα-helixtrans-66.3-40.8175.5-6880.3-179.300111.9T330 I334 D335 V336 K424T330-E332 VanDerWaalsContact C-N 3.26Å; T330-E332 PolarHBondContact O-N 3.08Å; E332-I334 VanDerWaalsContact C-N 3.28Å; E332-I334 PolarHBondContact O-N 2.92Å; E332-D335 PolarHBondContact O-N 2.86Å; E332-V336 WeakPolarHBondContact O-CG2 3.27Å; E332-V336 PolarHBondContact O-N 3.49Å; E332-K424 IonicContact OE1-NZ 3.53Å; E332-K424 PolarHBondContact OE1-NZ 2.56Å; E332-K424 IonicContact OE2-NZ 3.78Å; E332-K424 PolarHBondContact OE2-NZ 2.81Å
333S97.8Very high97Very high16 Ų1626.1 Ų26.111%0.11212%0.123CC..Hα-helixtrans-65.7-34.1176.771.70000111.6I328 N329 T330 V336 F337 M385I328-S333 WeakPolarHBondContact CA-OG 3.49Å; N329-S333 PolarHBondContact N-OG 2.94Å; N329-S333 VanDerWaalsContact N-OG 3.15Å; T330-S333 PolarHBondContact N-OG 2.92Å; T330-S333 PolarHBondContact O-N 3.33Å; T330-S333 VanDerWaalsContact O-N 3.14Å; T330-S333 PolarHBondContact O-OG 2.78Å; T330-S333 WeakPolarHBondContact OG1-CB 3.41Å; T330-S333 PolarHBondContact OG1-N 2.8Å; T330-S333 VanDerWaalsContact OG1-N 3.09Å; T330-S333 PolarHBondContact OG1-OG 2.95Å; S333-V336 PolarHBondContact O-N 3.14Å; S333-F337 WeakPolarHBondContact O-CB 3.33Å; S333-F337 PolarHBondContact O-N 3.16Å; S333-M385 WeakPolarHBondContact O-CE 3.36Å
334I98.1Very high97.1Very high4 Ų426 Ų262%0.02112%0.122CC..Hα-helixtrans-61.5-45.9172.1-66.6162.1000109.8F322 I328 T330 T331 E332 V336 F337 C338 L427 L431F322-I334 HydrophobicContact CD1-CG2 4.1Å; F322-I334 HydrophobicContact CD2-CG1 4.29Å; F322-I334 HydrophobicContact CE1-CG2 3.72Å; F322-I334 HydrophobicContact CE2-CD1 4.12Å; F322-I334 HydrophobicContact CE2-CG1 4.24Å; F322-I334 HydrophobicContact CG-CG1 4.49Å; F322-I334 HydrophobicContact CZ-CD1 4.24Å; F322-I334 HydrophobicContact CZ-CG1 4.35Å; F322-I334 HydrophobicContact CZ-CG2 4.1Å; I328-I334 HydrophobicContact CG2-CG1 3.92Å; T330-I334 WeakPolarHBondContact O-CG1 3.44Å; T330-I334 PolarHBondContact O-N 3.46Å; T331-I334 WeakPolarHBondContact O-CB 3.5Å; T331-I334 PolarHBondContact O-N 3.37Å; E332-I334 VanDerWaalsContact C-N 3.28Å; E332-I334 PolarHBondContact O-N 2.92Å; I334-V336 PolarHBondContact O-N 3.14Å; I334-F337 PolarHBondContact O-N 3.4Å; I334-C338 WeakPolarHBondContact O-CB 3.21Å; I334-C338 PolarHBondContact O-N 3.39Å; I334-C338 PolarHBondContact O-SG 3.01Å; I334-L427 HydrophobicContact CD1-CD2 4.32Å; I334-L431 HydrophobicContact CD1-CD2 3.83Å; I334-L431 HydrophobicContact CG1-CD2 4.4Å
335D98.6Very high97.3Very high0 Ų023.7 Ų23.70%011%0.111CC..Hα-helixtrans-61.9-42.6178.9-81-23.6000112.7L277 H281 F287 G288 T331 E332 C338 F339L277-D335 HydrophobicContact CD1-CB 4.4Å; L277-D335 HydrophobicContact CD2-CB 4.17Å; H281-D335 IonicContact CD2-OD2 3.28Å; H281-D335 IonicContact CE1-OD2 2.75Å; H281-D335 IonicContact NE2-OD2 3.42Å; H281-D335 PolarHBondContact NE2-OD2 3.1Å; F287-D335 WeakPolarHBondContact CB-OD1 3.36Å; F287-D335 PolarHBondContact N-OD1 2.89Å; F287-D335 PolarHBondContact N-OD2 3.07Å; G288-D335 PolarHBondContact N-OD1 2.99Å; T331-D335 PolarHBondContact O-N 2.9Å; T331-D335 VanDerWaalsContact O-N 3.1Å; E332-D335 PolarHBondContact O-N 2.86Å; D335-C338 PolarHBondContact O-N 3.19Å; D335-F339 WeakPolarHBondContact O-CB 3.42Å; D335-F339 PolarHBondContact O-N 2.7Å
336V98.7Very high97.5Very high4 Ų422.5 Ų22.52%0.02411%0.105CC..Hα-helixtrans-62.9-43.5175.7171.50000111.2E332 S333 I334 F339 G340 I375 M385 P386 V388 L391E332-V336 WeakPolarHBondContact O-CG2 3.27Å; E332-V336 PolarHBondContact O-N 3.49Å; S333-V336 PolarHBondContact O-N 3.14Å; I334-V336 PolarHBondContact O-N 3.14Å; V336-F339 WeakPolarHBondContact O-CB 3.1Å; V336-F339 PolarHBondContact O-N 2.92Å; V336-G340 PolarHBondContact O-N 2.89Å; V336-I375 HydrophobicContact CG1-CD1 4.37Å; V336-I375 HydrophobicContact CG1-CG1 4.22Å; V336-I375 HydrophobicContact CG1-CG2 4.15Å; V336-I375 WeakPolarHBondContact O-CG2 3.18Å; V336-M385 HydrophobicContact CB-CE 4.44Å; V336-M385 HydrophobicContact CG1-CB 3.69Å; V336-M385 HydrophobicContact CG1-CE 4.4Å; V336-M385 HydrophobicContact CG1-CG 4.43Å; V336-M385 HydrophobicContact CG1-SD 4.08Å; V336-P386 WeakPolarHBondContact CG1-O 2.95Å; V336-P386 WeakPolarHBondContact CG2-O 3.43Å; V336-V388 HydrophobicContact CG2-CG2 3.98Å; V336-L391 HydrophobicContact CG1-CD1 4.14Å; V336-L391 HydrophobicContact CG2-CD1 4.47Å
337F98.6Very high97.7Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-62.4-45.2175.9178.5-105000112.3L318 A321 F322 L325 I328 S333 I334 F339 G340 H341 V355 L376 M385L318-F337 HydrophobicContact CB-CE1 4.39Å; A321-F337 HydrophobicContact CB-CE1 4.12Å; A321-F337 HydrophobicContact CB-CZ 4.06Å; F322-F337 HydrophobicContact CB-CD1 3.91Å; F322-F337 HydrophobicContact CB-CE1 3.83Å; F322-F337 HydrophobicContact CB-CZ 4.44Å; F322-F337 HydrophobicContact CD1-CD1 4.29Å; F322-F337 HydrophobicContact CD1-CE1 4.41Å; L325-F337 HydrophobicContact CD1-CE2 3.73Å; L325-F337 HydrophobicContact CD1-CZ 4.04Å; I328-F337 HydrophobicContact CD1-CB 3.9Å; I328-F337 HydrophobicContact CD1-CD1 4.23Å; I328-F337 HydrophobicContact CD1-CD2 3.25Å; I328-F337 HydrophobicContact CD1-CE2 3.66Å; I328-F337 HydrophobicContact CD1-CG 3.54Å; I328-F337 HydrophobicContact CD1-CZ 4.27Å; I328-F337 HydrophobicContact CG2-CB 4.32Å; S333-F337 WeakPolarHBondContact O-CB 3.33Å; S333-F337 PolarHBondContact O-N 3.16Å; I334-F337 PolarHBondContact O-N 3.4Å; F337-F339 VanDerWaalsContact C-N 3.27Å; F337-F339 PolarHBondContact O-N 3.23Å; F337-G340 PolarHBondContact O-N 3.29Å; F337-G340 VanDerWaalsContact O-N 3.16Å; F337-H341 AromaticContact CD1-CD2 3.97Å; F337-H341 AromaticContact CE1-CD2 3.57Å; F337-H341 AromaticContact CE1-NE2 3.46Å; F337-H341 WeakPolarHBondContact CE1-NE2 3.19Å; F337-H341 AromaticContact CE2-CD2 3.94Å; F337-H341 AromaticContact CE2-NE2 3.72Å; F337-H341 AromaticContact CZ-CD2 3.59Å; F337-H341 AromaticContact CZ-NE2 3.14Å; F337-H341 WeakPolarHBondContact CZ-NE2 3.3Å; F337-H341 PolarHBondContact O-N 3.17Å; F337-V355 HydrophobicContact CE2-CB 4.47Å; F337-V355 HydrophobicContact CE2-CG1 4.48Å; F337-V355 HydrophobicContact CE2-CG2 4.34Å; F337-V355 HydrophobicContact CZ-CG2 3.92Å; F337-L376 HydrophobicContact CD2-CD2 4.18Å; F337-L376 HydrophobicContact CE2-CD2 4.2Å; F337-M385 HydrophobicContact CB-CE 3.99Å; F337-M385 HydrophobicContact CB-SD 4.01Å; F337-M385 HydrophobicContact CD2-SD 4.36Å
338C98.6Very high97.8Very high0 Ų013.5 Ų13.50%07%0.07CC..Hα-helixtrans-61.7-37175.5-64.60000111.6L290 L318 I334 D335 H341 L342L290-C338 HydrophobicContact CB-CB 3.73Å; L290-C338 WeakPolarHBondContact O-CB 3.45Å; L318-C338 HydrophobicContact CD1-CB 4.11Å; I334-C338 WeakPolarHBondContact O-CB 3.21Å; I334-C338 PolarHBondContact O-N 3.39Å; I334-C338 PolarHBondContact O-SG 3.01Å; D335-C338 PolarHBondContact O-N 3.19Å; C338-H341 PolarHBondContact O-N 2.71Å; C338-L342 PolarHBondContact O-N 3.35Å
339F98.8Very high97.8Very high0 Ų013.5 Ų13.50%07%0.071CC..Hα-helixtrans-63.3-42.8173.2177.4-101000112I273 L274 L277 L290 D335 V336 F337 H341 L342 L343 I375 L391 F397I273-F339 HydrophobicContact CB-CE2 4.5Å; I273-F339 HydrophobicContact CG2-CD2 3.92Å; I273-F339 HydrophobicContact CG2-CE2 4.22Å; L274-F339 HydrophobicContact CD1-CE1 4.21Å; L274-F339 HydrophobicContact CD1-CE2 4.29Å; L274-F339 HydrophobicContact CD1-CZ 3.75Å; L274-F339 HydrophobicContact CD2-CD1 4.06Å; L274-F339 HydrophobicContact CD2-CD2 4.04Å; L274-F339 HydrophobicContact CD2-CE1 3.94Å; L274-F339 HydrophobicContact CD2-CE2 3.92Å; L274-F339 HydrophobicContact CD2-CG 4.11Å; L274-F339 HydrophobicContact CD2-CZ 3.86Å; L274-F339 HydrophobicContact CG-CD2 4.31Å; L274-F339 HydrophobicContact CG-CE1 4.25Å; L274-F339 HydrophobicContact CG-CE2 3.73Å; L274-F339 HydrophobicContact CG-CZ 3.7Å; L277-F339 HydrophobicContact CD1-CB 4.36Å; L290-F339 HydrophobicContact CD2-CB 3.84Å; L290-F339 HydrophobicContact CD2-CD2 4.19Å; D335-F339 WeakPolarHBondContact O-CB 3.42Å; D335-F339 PolarHBondContact O-N 2.7Å; V336-F339 WeakPolarHBondContact O-CB 3.1Å; V336-F339 PolarHBondContact O-N 2.92Å; F337-F339 VanDerWaalsContact C-N 3.27Å; F337-F339 PolarHBondContact O-N 3.23Å; F339-H341 PolarHBondContact O-N 2.66Å; F339-L342 PolarHBondContact O-N 2.94Å; F339-L343 HydrophobicContact CE1-CD2 4.22Å; F339-L343 WeakPolarHBondContact O-CB 3.4Å; F339-L343 PolarHBondContact O-N 3.07Å; F339-I375 HydrophobicContact CD1-CD1 3.92Å; F339-I375 HydrophobicContact CE1-CD1 4.4Å; F339-L391 HydrophobicContact CD1-CD1 3.98Å; F339-L391 HydrophobicContact CE1-CD1 4.26Å; F339-F397 HydrophobicContact CE1-CE2 4.08Å; F339-F397 HydrophobicContact CE1-CZ 4.24Å; F339-F397 AromaticContact CZ-CE2 3.83Å; F339-F397 HydrophobicContact CZ-CE2 3.83Å; F339-F397 AromaticContact CZ-CZ 3.65Å; F339-F397 HydrophobicContact CZ-CZ 3.65Å
340G98.6Very high97.8Very high0 Ų016.7 Ų16.70%08%0.078CC..Hα-helixtrans-57.8-46.1174.100000112.5V336 F337 L342 L343 Y344 L372V336-G340 PolarHBondContact O-N 2.89Å; F337-G340 PolarHBondContact O-N 3.29Å; F337-G340 VanDerWaalsContact O-N 3.16Å; G340-L342 PolarHBondContact O-N 3.25Å; G340-L343 PolarHBondContact O-N 3.23Å; G340-Y344 WeakPolarHBondContact O-CB 3.46Å; G340-Y344 PolarHBondContact O-N 3.42Å; G340-L372 WeakPolarHBondContact O-CD2 3.13Å
341H98.6Very high97.6Very high18 Ų1817 Ų178%0.0838%0.08CC..Hα-helixtrans-59.3-44.3174.6-90.5-94.8000112.6L318 F337 C338 F339 Y344 E345 P352L318-H341 HydrophobicContact CD1-CB 3.77Å; F337-H341 AromaticContact CD1-CD2 3.97Å; F337-H341 AromaticContact CE1-CD2 3.57Å; F337-H341 AromaticContact CE1-NE2 3.46Å; F337-H341 WeakPolarHBondContact CE1-NE2 3.19Å; F337-H341 AromaticContact CE2-CD2 3.94Å; F337-H341 AromaticContact CE2-NE2 3.72Å; F337-H341 AromaticContact CZ-CD2 3.59Å; F337-H341 AromaticContact CZ-NE2 3.14Å; F337-H341 WeakPolarHBondContact CZ-NE2 3.3Å; F337-H341 PolarHBondContact O-N 3.17Å; C338-H341 PolarHBondContact O-N 2.71Å; F339-H341 PolarHBondContact O-N 2.66Å; H341-Y344 WeakPolarHBondContact O-CB 3.45Å; H341-Y344 PolarHBondContact O-N 3.46Å; H341-E345 PolarHBondContact O-N 3.37Å; H341-P352 WeakPolarHBondContact ND1-CG 3.39Å
342L98.8Very high97.6Very high1 Ų117.6 Ų17.61%0.0059%0.085CC..Hα-helixtrans-66.6-42.9177.7177.255000111.9L235 I273 L290 A292 V295 C338 F339 G340 Y344 E345 M346L235-L342 HydrophobicContact CD2-CD1 4.33Å; I273-L342 HydrophobicContact CD1-CD2 3.72Å; L290-L342 HydrophobicContact CD1-CD2 3.54Å; L290-L342 HydrophobicContact CD2-CD2 4.2Å; L290-L342 HydrophobicContact CG-CD2 3.77Å; A292-L342 HydrophobicContact CB-CD1 3.65Å; V295-L342 HydrophobicContact CG2-CD2 3.93Å; C338-L342 PolarHBondContact O-N 3.35Å; F339-L342 PolarHBondContact O-N 2.94Å; G340-L342 PolarHBondContact O-N 3.25Å; L342-Y344 VanDerWaalsContact C-N 3.27Å; L342-Y344 PolarHBondContact O-N 2.92Å; L342-E345 PolarHBondContact O-N 3.29Å; L342-M346 HydrophobicContact CD1-CG 4.08Å; L342-M346 HydrophobicContact CG-CE 4.23Å; L342-M346 HydrophobicContact CG-CG 4.42Å; L342-M346 HydrophobicContact CG-SD 4.44Å; L342-M346 WeakPolarHBondContact O-CG 3.32Å; L342-M346 PolarHBondContact O-N 2.88Å
343L98.6Very high97.3Very high0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-60.7-40.1176.1-177.661.2000110.9I266 F339 G340 M346 T347 V368 V371 L372 L396 F397I266-L343 HydrophobicContact CG2-CD1 3.57Å; F339-L343 HydrophobicContact CE1-CD2 4.22Å; F339-L343 WeakPolarHBondContact O-CB 3.4Å; F339-L343 PolarHBondContact O-N 3.07Å; G340-L343 PolarHBondContact O-N 3.23Å; L343-M346 HydrophobicContact CB-CE 4.43Å; L343-M346 HydrophobicContact CD1-CE 3.94Å; L343-M346 PolarHBondContact O-N 2.85Å; L343-T347 WeakPolarHBondContact O-CB 3.44Å; L343-T347 PolarHBondContact O-N 3.3Å; L343-T347 PolarHBondContact O-OG1 3.4Å; L343-V368 HydrophobicContact CD1-CG1 4.2Å; L343-V368 HydrophobicContact CG-CG1 4.26Å; L343-V371 HydrophobicContact CD2-CB 4.06Å; L343-V371 HydrophobicContact CD2-CG1 3.61Å; L343-L372 HydrophobicContact CB-CD2 3.88Å; L343-L372 HydrophobicContact CD2-CD2 3.9Å; L343-L372 HydrophobicContact CD2-CG 4.07Å; L343-L372 HydrophobicContact CG-CD2 3.8Å; L343-L372 HydrophobicContact CG-CG 4.2Å; L343-L396 HydrophobicContact CD2-CD2 4.47Å; L343-F397 HydrophobicContact CD1-CZ 4.4Å; L343-F397 HydrophobicContact CD2-CZ 4.49Å
344Y98.3Very high97Very high8 Ų824.9 Ų24.93%0.03113%0.131CC..Hα-helixtrans-61-49.1173.7-172.1-75000110.5G340 H341 L342 M346 T347 Y348 R350 P352 V357 F360 L372 L376G340-Y344 WeakPolarHBondContact O-CB 3.46Å; G340-Y344 PolarHBondContact O-N 3.42Å; H341-Y344 WeakPolarHBondContact O-CB 3.45Å; H341-Y344 PolarHBondContact O-N 3.46Å; L342-Y344 VanDerWaalsContact C-N 3.27Å; L342-Y344 PolarHBondContact O-N 2.92Å; Y344-M346 PolarHBondContact O-N 3.44Å; Y344-T347 PolarHBondContact O-N 2.73Å; Y344-T347 VanDerWaalsContact O-N 3.07Å; Y344-Y348 AromaticContact CD1-CD2 3.61Å; Y344-Y348 HydrophobicContact CD1-CD2 3.61Å; Y344-Y348 HydrophobicContact CD1-CE2 4.37Å; Y344-Y348 HydrophobicContact CD1-CG 4.47Å; Y344-Y348 AromaticContact CD2-CD2 3.69Å; Y344-Y348 HydrophobicContact CD2-CD2 3.69Å; Y344-Y348 AromaticContact CD2-CE2 3.59Å; Y344-Y348 HydrophobicContact CD2-CE2 3.59Å; Y344-Y348 AromaticContact CE1-CD2 3.5Å; Y344-Y348 HydrophobicContact CE1-CD2 3.5Å; Y344-Y348 VanDerWaalsContact CE1-CD2 3.5Å; Y344-Y348 HydrophobicContact CE1-CE2 4.29Å; Y344-Y348 HydrophobicContact CE1-CG 4.09Å; Y344-Y348 AromaticContact CE2-CD2 3.59Å; Y344-Y348 HydrophobicContact CE2-CD2 3.59Å; Y344-Y348 AromaticContact CE2-CE2 3.51Å; Y344-Y348 HydrophobicContact CE2-CE2 3.51Å; Y344-Y348 AromaticContact CG-CD2 3.69Å; Y344-Y348 HydrophobicContact CG-CD2 3.69Å; Y344-Y348 HydrophobicContact CG-CE2 4.03Å; Y344-Y348 AromaticContact CZ-CD2 3.49Å; Y344-Y348 VanDerWaalsContact CZ-CD2 3.49Å; Y344-Y348 AromaticContact CZ-CE2 3.87Å; Y344-Y348 VanDerWaalsContact O-CD2 3.29Å; Y344-Y348 WeakPolarHBondContact O-CD2 3.42Å; Y344-Y348 PolarHBondContact O-N 2.82Å; Y344-R350 VanDerWaalsContact CD1-O 3.24Å; Y344-R350 WeakPolarHBondContact CD1-O 3.39Å; Y344-R350 WeakPolarHBondContact CE1-O 3.47Å; Y344-P352 HydrophobicContact CD1-CB 3.95Å; Y344-P352 HydrophobicContact CD1-CG 4.24Å; Y344-P352 HydrophobicContact CD2-CB 4.17Å; Y344-P352 VanDerWaalsContact CE1-CA 3.5Å; Y344-P352 HydrophobicContact CE1-CB 3.89Å; Y344-P352 HydrophobicContact CE2-CB 4.09Å; Y344-P352 HydrophobicContact CG-CB 4.11Å; Y344-P352 HydrophobicContact CG-CG 4.29Å; Y344-V357 HydrophobicContact CE2-CG1 4.41Å; Y344-F360 HydrophobicContact CD2-CD1 4.27Å; Y344-F360 HydrophobicContact CD2-CE1 4.13Å; Y344-F360 HydrophobicContact CE2-CD1 4.04Å; Y344-F360 HydrophobicContact CE2-CE1 4.24Å; Y344-L372 HydrophobicContact CD2-CD1 4.42Å; Y344-L376 HydrophobicContact CD2-CD1 4.29Å
345E97.8Very high96.8Very high11 Ų1126.2 Ų26.25%0.05114%0.139CC..Hα-helixtrans-62.9-40.2179.2-171.9171.2-157.800112.6R236 I239 A292 H341 L342 T347 G349 R350R236-E345 WeakPolarHBondContact CG-OE1 3.35Å; R236-E345 IonicContact CZ-OE1 2.91Å; R236-E345 IonicContact NE-OE1 3.27Å; R236-E345 PolarHBondContact NE-OE1 3.3Å; R236-E345 IonicContact NH2-OE1 3.8Å; I239-E345 HydrophobicContact CD1-CG 4.18Å; A292-E345 HydrophobicContact CB-CG 4.44Å; A292-E345 VanDerWaalsContact CB-OE2 3.25Å; A292-E345 WeakPolarHBondContact CB-OE2 3.44Å; H341-E345 PolarHBondContact O-N 3.37Å; L342-E345 PolarHBondContact O-N 3.29Å; E345-T347 VanDerWaalsContact C-N 3.27Å; E345-T347 PolarHBondContact O-N 3.47Å; E345-G349 WeakPolarHBondContact O-CA 3.49Å; E345-G349 PolarHBondContact O-N 3.48Å; E345-R350 WeakPolarHBondContact CA-O 3.34Å
346M98.1Very high96.7Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-62.9-33.4172.7-70.7-170.2-60.700112.3L235 G260 L261 I266 F269 L342 L343 Y344L235-M346 HydrophobicContact CD2-CG 4.01Å; L235-M346 HydrophobicContact CD2-SD 3.92Å; G260-M346 CarbonylContact C-O 3.51Å; G260-M346 WeakPolarHBondContact CA-O 3.4Å; L261-M346 HydrophobicContact CD1-CB 3.93Å; L261-M346 HydrophobicContact CD1-CG 3.8Å; L261-M346 HydrophobicContact CD1-SD 4.04Å; L261-M346 HydrophobicContact CG-CB 4.38Å; L261-M346 PolarHBondContact N-O 2.88Å; I266-M346 HydrophobicContact CG1-CB 4.4Å; F269-M346 HydrophobicContact CB-SD 4.18Å; L342-M346 HydrophobicContact CD1-CG 4.08Å; L342-M346 HydrophobicContact CG-CE 4.23Å; L342-M346 HydrophobicContact CG-CG 4.42Å; L342-M346 HydrophobicContact CG-SD 4.44Å; L342-M346 WeakPolarHBondContact O-CG 3.32Å; L342-M346 PolarHBondContact O-N 2.88Å; L343-M346 HydrophobicContact CB-CE 4.43Å; L343-M346 HydrophobicContact CD1-CE 3.94Å; L343-M346 PolarHBondContact O-N 2.85Å; Y344-M346 PolarHBondContact O-N 3.44Å
347T97.4Very high96.5Very high19 Ų1929 Ų2912%0.11716%0.157CC..Hα-helixtrans-79.4-49.1-177.6-55.30000112L343 Y344 E345 V368L343-T347 WeakPolarHBondContact O-CB 3.44Å; L343-T347 PolarHBondContact O-N 3.3Å; L343-T347 PolarHBondContact O-OG1 3.4Å; Y344-T347 PolarHBondContact O-N 2.73Å; Y344-T347 VanDerWaalsContact O-N 3.07Å; E345-T347 VanDerWaalsContact C-N 3.27Å; E345-T347 PolarHBondContact O-N 3.47Å; T347-V368 HydrophobicContact CG2-CG1 4.04Å; T347-V368 VanDerWaalsContact OG1-CG1 3.23Å; T347-V368 WeakPolarHBondContact OG1-CG1 3.47Å
348Y96.1Very high96.3Very high38 Ų3833.5 Ų33.515%0.14918%0.181CC..Hα-helixtrans-102.7-2.8-170.8-57.8-73.5000113.4Y344 R350 F360 P361 A363 L372Y344-Y348 AromaticContact CD1-CD2 3.61Å; Y344-Y348 HydrophobicContact CD1-CD2 3.61Å; Y344-Y348 HydrophobicContact CD1-CE2 4.37Å; Y344-Y348 HydrophobicContact CD1-CG 4.47Å; Y344-Y348 AromaticContact CD2-CD2 3.69Å; Y344-Y348 HydrophobicContact CD2-CD2 3.69Å; Y344-Y348 AromaticContact CD2-CE2 3.59Å; Y344-Y348 HydrophobicContact CD2-CE2 3.59Å; Y344-Y348 AromaticContact CE1-CD2 3.5Å; Y344-Y348 HydrophobicContact CE1-CD2 3.5Å; Y344-Y348 VanDerWaalsContact CE1-CD2 3.5Å; Y344-Y348 HydrophobicContact CE1-CE2 4.29Å; Y344-Y348 HydrophobicContact CE1-CG 4.09Å; Y344-Y348 AromaticContact CE2-CD2 3.59Å; Y344-Y348 HydrophobicContact CE2-CD2 3.59Å; Y344-Y348 AromaticContact CE2-CE2 3.51Å; Y344-Y348 HydrophobicContact CE2-CE2 3.51Å; Y344-Y348 AromaticContact CG-CD2 3.69Å; Y344-Y348 HydrophobicContact CG-CD2 3.69Å; Y344-Y348 HydrophobicContact CG-CE2 4.03Å; Y344-Y348 AromaticContact CZ-CD2 3.49Å; Y344-Y348 VanDerWaalsContact CZ-CD2 3.49Å; Y344-Y348 AromaticContact CZ-CE2 3.87Å; Y344-Y348 VanDerWaalsContact O-CD2 3.29Å; Y344-Y348 WeakPolarHBondContact O-CD2 3.42Å; Y344-Y348 PolarHBondContact O-N 2.82Å; Y348-R350 PolarHBondContact O-N 3.42Å; Y348-F360 HydrophobicContact CE2-CD1 4.4Å; Y348-P361 HydrophobicContact CD1-CB 4.09Å; Y348-P361 HydrophobicContact CD1-CG 4.21Å; Y348-P361 HydrophobicContact CE1-CB 3.85Å; Y348-P361 HydrophobicContact CE1-CG 4.1Å; Y348-A363 HydrophobicContact CE1-CB 3.82Å; Y348-A363 WeakPolarHBondContact OH-CB 3.42Å; Y348-L372 HydrophobicContact CE2-CD1 3.89Å
349G96.3Very high95.9Very high1 Ų142 Ų421%0.0122%0.221CC..SBendtrans70.512-177.800000114.1I239 S258 E345I239-G349 WeakPolarHBondContact CG2-O 3.43Å; S258-G349 WeakPolarHBondContact CB-O 3.22Å; S258-G349 PolarHBondContact OG-O 2.97Å; E345-G349 WeakPolarHBondContact O-CA 3.49Å; E345-G349 PolarHBondContact O-N 3.48Å
350R94.6Very high95.6Very high127 Ų12743.6 Ų43.648%0.47923%0.228SC..SBendtrans-154.8151.2178.865.4-178.5-173.7-177.55.1110.4Y344 E345 Y348Y344-R350 VanDerWaalsContact CD1-O 3.24Å; Y344-R350 WeakPolarHBondContact CD1-O 3.39Å; Y344-R350 WeakPolarHBondContact CE1-O 3.47Å; E345-R350 WeakPolarHBondContact CA-O 3.34Å; Y348-R350 PolarHBondContact O-N 3.42Å
351P94.4Very high95.1Very high53 Ų5345.9 Ų45.934%0.34424%0.243SC..  trans-63.3159172.728.9-36000111.3
352P94.9Very high94.5Very high14 Ų1451 Ų519%0.09128%0.28CS..  trans-66.7141.1172.728.9-34000110.5H341 Y344 S354 V355 V357H341-P352 WeakPolarHBondContact ND1-CG 3.39Å; Y344-P352 HydrophobicContact CD1-CB 3.95Å; Y344-P352 HydrophobicContact CD1-CG 4.24Å; Y344-P352 HydrophobicContact CD2-CB 4.17Å; Y344-P352 VanDerWaalsContact CE1-CA 3.5Å; Y344-P352 HydrophobicContact CE1-CB 3.89Å; Y344-P352 HydrophobicContact CE2-CB 4.09Å; Y344-P352 HydrophobicContact CG-CB 4.11Å; Y344-P352 HydrophobicContact CG-CG 4.29Å; P352-S354 VanDerWaalsContact C-N 3.29Å; P352-S354 PolarHBondContact O-N 2.83Å; P352-V355 HydrophobicContact CG-CG1 4.42Å; P352-V357 HydrophobicContact CB-CG2 4.08Å
353D91.5Very high93.4Very high140 Ų14052.4 Ų52.475%0.74929%0.292SS*.SBendtrans-64.4-36.2179.7-62.5-40.3000111.8
354S91.8Very high92.1Very high85 Ų8557.4 Ų57.459%0.59433%0.325SS*.SBendtrans-153.3161.217563.50000111P352 V357P352-S354 VanDerWaalsContact C-N 3.29Å; P352-S354 PolarHBondContact O-N 2.83Å; S354-V357 WeakPolarHBondContact O-CG2 3.4Å
355V94.1Very high91.5Very high32 Ų3259.9 Ų59.919%0.19434%0.336CS..SBendtrans-129.3138.6172.3-93.10000108.7A321 F337 P352 V357 L376A321-V355 HydrophobicContact CB-CG2 4.22Å; F337-V355 HydrophobicContact CE2-CB 4.47Å; F337-V355 HydrophobicContact CE2-CG1 4.48Å; F337-V355 HydrophobicContact CE2-CG2 4.34Å; F337-V355 HydrophobicContact CZ-CG2 3.92Å; P352-V355 HydrophobicContact CG-CG1 4.42Å; V355-V357 HydrophobicContact CG1-CG2 4.03Å; V355-L376 HydrophobicContact CG1-CB 4.35Å; V355-L376 HydrophobicContact CG1-CD2 4Å
356P96.3Very high91.2Very high48 Ų4864.4 Ų64.431%0.31237%0.369SS..SBendcis-71.6163.4729.8-35.7000115.1L376 T378P356-L376 CarbonylContact C-O 3.59Å; P356-L376 WeakPolarHBondContact CA-O 3.31Å; P356-L376 WeakPolarHBondContact CB-O 3.4Å; P356-T378 WeakPolarHBondContact CB-OG1 3.47Å; P356-T378 WeakPolarHBondContact CG-OG1 3.31Å
357V95.6Very high91Very high14 Ų1466.2 Ų66.29%0.08538%0.384CS..  trans-120.6107.5178-175.60000109.3Y344 P352 S354 V355 F360 L376 S377Y344-V357 HydrophobicContact CE2-CG1 4.41Å; P352-V357 HydrophobicContact CB-CG2 4.08Å; S354-V357 WeakPolarHBondContact O-CG2 3.4Å; V355-V357 HydrophobicContact CG1-CG2 4.03Å; V357-F360 HydrophobicContact CB-CE1 4Å; V357-F360 HydrophobicContact CB-CE2 4.39Å; V357-F360 HydrophobicContact CB-CZ 3.85Å; V357-F360 HydrophobicContact CG1-CD1 3.75Å; V357-F360 HydrophobicContact CG1-CD2 4.18Å; V357-F360 HydrophobicContact CG1-CE1 3.56Å; V357-F360 HydrophobicContact CG1-CE2 3.99Å; V357-F360 HydrophobicContact CG1-CG 4.07Å; V357-F360 HydrophobicContact CG1-CZ 3.69Å; V357-F360 WeakPolarHBondContact O-CE2 3.5Å; V357-F360 WeakPolarHBondContact O-CZ 3.26Å; V357-L376 HydrophobicContact CB-CB 4.45Å; V357-L376 PolarHBondContact N-O 3.19Å; V357-S377 WeakPolarHBondContact O-CA 3.36Å
358D92.9Very high90.9Very high95 Ų9565.4 Ų65.451%0.50838%0.379SS..SBendtrans-101.8-24.6176.5-62.7-44.3000112.4T378D358-T378 WeakPolarHBondContact OD1-CB 3.46Å; D358-T378 PolarHBondContact OD1-N 3.46Å; D358-T378 PolarHBondContact OD1-OG1 2.98Å; D358-T378 WeakPolarHBondContact OD2-CB 3.17Å; D358-T378 PolarHBondContact OD2-OG1 3.47Å
359Q91.7Very high90.9Very high179 Ų17964.8 Ų64.884%0.83638%0.379SS*.SBendtrans-115.4100.5177.9-64.9177.817.400109
360F90.6Very high90.9Very high33 Ų3368.1 Ų68.115%0.14540%0.403CS..  trans-80.7141.5177-68.9-90000109.9Y344 Y348 V357 V369 L372 Q373Y344-F360 HydrophobicContact CD2-CD1 4.27Å; Y344-F360 HydrophobicContact CD2-CE1 4.13Å; Y344-F360 HydrophobicContact CE2-CD1 4.04Å; Y344-F360 HydrophobicContact CE2-CE1 4.24Å; Y348-F360 HydrophobicContact CE2-CD1 4.4Å; V357-F360 HydrophobicContact CB-CE1 4Å; V357-F360 HydrophobicContact CB-CE2 4.39Å; V357-F360 HydrophobicContact CB-CZ 3.85Å; V357-F360 HydrophobicContact CG1-CD1 3.75Å; V357-F360 HydrophobicContact CG1-CD2 4.18Å; V357-F360 HydrophobicContact CG1-CE1 3.56Å; V357-F360 HydrophobicContact CG1-CE2 3.99Å; V357-F360 HydrophobicContact CG1-CG 4.07Å; V357-F360 HydrophobicContact CG1-CZ 3.69Å; V357-F360 WeakPolarHBondContact O-CE2 3.5Å; V357-F360 WeakPolarHBondContact O-CZ 3.26Å; F360-V369 HydrophobicContact CB-CG1 4.42Å; F360-V369 HydrophobicContact CD2-CG1 4.22Å; F360-V369 HydrophobicContact CG-CG1 4.28Å; F360-L372 HydrophobicContact CD1-CB 4.34Å; F360-L372 HydrophobicContact CD1-CD1 4.21Å; F360-L372 HydrophobicContact CE1-CB 3.59Å; F360-L372 HydrophobicContact CE1-CD1 4.11Å; F360-L372 HydrophobicContact CE1-CG 4.4Å; F360-L372 HydrophobicContact CZ-CB 3.89Å; F360-Q373 HydrophobicContact CD2-CG 3.94Å; F360-Q373 HydrophobicContact CE2-CB 4.4Å; F360-Q373 HydrophobicContact CE2-CG 3.4Å; F360-Q373 HydrophobicContact CZ-CG 4.15Å
361P89.9Confident91.1Very high48 Ų4862.3 Ų62.331%0.31238%0.381SS..  trans-54.6156.4167.9-21.132.2000110.5Y348 A363Y348-P361 HydrophobicContact CD1-CB 4.09Å; Y348-P361 HydrophobicContact CD1-CG 4.21Å; Y348-P361 HydrophobicContact CE1-CB 3.85Å; Y348-P361 HydrophobicContact CE1-CG 4.1Å; P361-A363 PolarHBondContact O-N 3.22Å
362S85.2Confident91.2Very high125 Ų12559.8 Ų59.887%0.87437%0.365SS*.  trans-55.4106.1176.154.60000110
363A75.7Confident91.3Very high30 Ų3063.3 Ų63.325%0.24838%0.38CS..  trans-101.4145177.900000109.7Y348 P361 H365 V369Y348-A363 HydrophobicContact CE1-CB 3.82Å; Y348-A363 WeakPolarHBondContact OH-CB 3.42Å; P361-A363 PolarHBondContact O-N 3.22Å; A363-H365 PolarHBondContact O-N 3.26Å; A363-V369 HydrophobicContact CB-CG2 3.61Å
364P70.1Confident91.6Very high106 Ų10658.6 Ų58.669%0.68836%0.358SS*.SBendtrans-69.5-15.1179.624.1-30000113.5
365H87.6Confident92Very high60 Ų6054.5 Ų54.528%0.27833%0.329SS..  trans-133.8110.4-169.1-52.5-55.5000113.6L263 A363 A367 V368 V369L263-H365 HydrophobicContact CD1-CB 4.16Å; A363-H365 PolarHBondContact O-N 3.26Å; H365-A367 VanDerWaalsContact C-N 3.31Å; H365-A367 PolarHBondContact O-N 3.03Å; H365-V368 HydrophobicContact CB-CB 4.4Å; H365-V368 HydrophobicContact CB-CG2 3.89Å; H365-V368 PolarHBondContact O-N 2.9Å; H365-V369 PolarHBondContact O-N 2.89Å
366S90.6Very high92.1Very high105 Ų10553 Ų5373%0.73432%0.32SS*.Hα-helixtrans-61.1-34.6179.655.50000113.7V368 V369 S370S366-V368 VanDerWaalsContact C-N 3.3Å; S366-V368 PolarHBondContact O-N 2.96Å; S366-V369 PolarHBondContact O-N 3.27Å; S366-S370 PolarHBondContact O-N 3.22Å
367A93.8Very high92.2Very high39 Ų3951.6 Ų51.632%0.32231%0.311SS..Hα-helixtrans-61.7-37.6177.400000112.4H365 V371 L396H365-A367 VanDerWaalsContact C-N 3.31Å; H365-A367 PolarHBondContact O-N 3.03Å; A367-V371 PolarHBondContact O-N 3.21Å; A367-L396 HydrophobicContact CB-CD1 4.2Å
368V96.2Very high92.2Very high1 Ų152.4 Ų52.41%0.00632%0.317CS..Hα-helixtrans-68.4-45.3176-176.80000110.6L263 I266 L343 T347 H365 S366 S370 V371 L372 L396L263-V368 HydrophobicContact CD1-CG2 3.9Å; I266-V368 HydrophobicContact CG2-CG2 4.34Å; L343-V368 HydrophobicContact CD1-CG1 4.2Å; L343-V368 HydrophobicContact CG-CG1 4.26Å; T347-V368 HydrophobicContact CG2-CG1 4.04Å; T347-V368 VanDerWaalsContact OG1-CG1 3.23Å; T347-V368 WeakPolarHBondContact OG1-CG1 3.47Å; H365-V368 HydrophobicContact CB-CB 4.4Å; H365-V368 HydrophobicContact CB-CG2 3.89Å; H365-V368 PolarHBondContact O-N 2.9Å; S366-V368 VanDerWaalsContact C-N 3.3Å; S366-V368 PolarHBondContact O-N 2.96Å; V368-S370 VanDerWaalsContact C-N 3.31Å; V368-S370 PolarHBondContact O-N 2.84Å; V368-V371 PolarHBondContact O-N 3.38Å; V368-L372 HydrophobicContact CG1-CD1 4.12Å; V368-L372 HydrophobicContact CG1-CG 4.46Å; V368-L372 WeakPolarHBondContact O-CG 3.29Å; V368-L372 PolarHBondContact O-N 2.98Å; V368-L396 HydrophobicContact CB-CD2 4.4Å; V368-L396 HydrophobicContact CG2-CD1 3.68Å; V368-L396 HydrophobicContact CG2-CD2 4.09Å
369V95.6Very high92.3Very high25 Ų2553 Ų5315%0.15232%0.319CS..Hα-helixtrans-61-40178.1178.20000111.4F360 A363 H365 S366 V371 L372 Q373F360-V369 HydrophobicContact CB-CG1 4.42Å; F360-V369 HydrophobicContact CD2-CG1 4.22Å; F360-V369 HydrophobicContact CG-CG1 4.28Å; A363-V369 HydrophobicContact CB-CG2 3.61Å; H365-V369 PolarHBondContact O-N 2.89Å; S366-V369 PolarHBondContact O-N 3.27Å; V369-V371 PolarHBondContact O-N 3.29Å; V369-L372 PolarHBondContact O-N 3.02Å; V369-Q373 HydrophobicContact CG1-CG 4.15Å; V369-Q373 WeakPolarHBondContact O-CB 3.37Å; V369-Q373 VanDerWaalsContact O-CG 3.3Å; V369-Q373 WeakPolarHBondContact O-CG 3.25Å; V369-Q373 PolarHBondContact O-N 3.34Å
370S96.3Very high92.5Very high72 Ų7244.6 Ų44.650%0.50328%0.281SS..Hα-helixtrans-59.6-45.1177.1-179.70000112.2S366 V368 Q373 S374S366-S370 PolarHBondContact O-N 3.22Å; V368-S370 VanDerWaalsContact C-N 3.31Å; V368-S370 PolarHBondContact O-N 2.84Å; S370-Q373 PolarHBondContact O-N 2.9Å; S370-S374 PolarHBondContact O-N 2.97Å; S370-S374 VanDerWaalsContact O-N 3.08Å
371V97.9Very high92.6Very high5 Ų543.5 Ų43.53%0.0328%0.278CS..Hα-helixtrans-64.8-44.9175.4177.10000110.7L343 A367 V368 V369 Q373 S374 I375 L391 T394 L396 F397L343-V371 HydrophobicContact CD2-CB 4.06Å; L343-V371 HydrophobicContact CD2-CG1 3.61Å; A367-V371 PolarHBondContact O-N 3.21Å; V368-V371 PolarHBondContact O-N 3.38Å; V369-V371 PolarHBondContact O-N 3.29Å; V371-Q373 PolarHBondContact O-N 3.29Å; V371-S374 PolarHBondContact O-N 3.33Å; V371-S374 PolarHBondContact O-OG 2.95Å; V371-I375 HydrophobicContact CG1-CD1 4.08Å; V371-I375 WeakPolarHBondContact O-CG1 3.39Å; V371-I375 PolarHBondContact O-N 2.84Å; V371-L391 HydrophobicContact CG1-CD2 4.04Å; V371-T394 HydrophobicContact CG2-CG2 4.26Å; V371-L396 HydrophobicContact CB-CD2 4.21Å; V371-L396 HydrophobicContact CG2-CB 4.05Å; V371-L396 HydrophobicContact CG2-CD2 3.82Å; V371-F397 HydrophobicContact CG1-CE2 4.27Å
372L97.9Very high92.8Very high0 Ų048 Ų480%029%0.292CS..Hα-helixtrans-59.8-43.1177.1-72.3173.4000112.6G340 L343 Y344 Y348 F360 V368 V369 S374 I375 L376G340-L372 WeakPolarHBondContact O-CD2 3.13Å; L343-L372 HydrophobicContact CB-CD2 3.88Å; L343-L372 HydrophobicContact CD2-CD2 3.9Å; L343-L372 HydrophobicContact CD2-CG 4.07Å; L343-L372 HydrophobicContact CG-CD2 3.8Å; L343-L372 HydrophobicContact CG-CG 4.2Å; Y344-L372 HydrophobicContact CD2-CD1 4.42Å; Y348-L372 HydrophobicContact CE2-CD1 3.89Å; F360-L372 HydrophobicContact CD1-CB 4.34Å; F360-L372 HydrophobicContact CD1-CD1 4.21Å; F360-L372 HydrophobicContact CE1-CB 3.59Å; F360-L372 HydrophobicContact CE1-CD1 4.11Å; F360-L372 HydrophobicContact CE1-CG 4.4Å; F360-L372 HydrophobicContact CZ-CB 3.89Å; V368-L372 HydrophobicContact CG1-CD1 4.12Å; V368-L372 HydrophobicContact CG1-CG 4.46Å; V368-L372 WeakPolarHBondContact O-CG 3.29Å; V368-L372 PolarHBondContact O-N 2.98Å; V369-L372 PolarHBondContact O-N 3.02Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 2.94Å; L372-I375 PolarHBondContact O-N 2.99Å; L372-I375 VanDerWaalsContact O-N 3.15Å; L372-L376 HydrophobicContact CD2-CD1 4.14Å; L372-L376 PolarHBondContact O-N 2.96Å
373Q97Very high93.1Very high88 Ų8846 Ų4641%0.41128%0.278SS..Hα-helixtrans-60.5-40.1175.8-77.8171.1-24.100111.6F360 V369 S370 V371 I375 S377F360-Q373 HydrophobicContact CD2-CG 3.94Å; F360-Q373 HydrophobicContact CE2-CB 4.4Å; F360-Q373 HydrophobicContact CE2-CG 3.4Å; F360-Q373 HydrophobicContact CZ-CG 4.15Å; V369-Q373 HydrophobicContact CG1-CG 4.15Å; V369-Q373 WeakPolarHBondContact O-CB 3.37Å; V369-Q373 VanDerWaalsContact O-CG 3.3Å; V369-Q373 WeakPolarHBondContact O-CG 3.25Å; V369-Q373 PolarHBondContact O-N 3.34Å; S370-Q373 PolarHBondContact O-N 2.9Å; V371-Q373 PolarHBondContact O-N 3.29Å; Q373-I375 PolarHBondContact O-N 3.03Å; Q373-I375 VanDerWaalsContact O-N 3.17Å; Q373-S377 WeakPolarHBondContact O-CB 3.33Å; Q373-S377 PolarHBondContact O-N 3.34Å; Q373-S377 PolarHBondContact O-OG 3.43Å
374S97.9Very high93.9Very high40 Ų4046.2 Ų46.228%0.2828%0.283SS..Hα-helixtrans-66.3-13.717877.90000114.4S370 V371 L372 A380 P386S370-S374 PolarHBondContact O-N 2.97Å; S370-S374 VanDerWaalsContact O-N 3.08Å; V371-S374 PolarHBondContact O-N 3.33Å; V371-S374 PolarHBondContact O-OG 2.95Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 2.94Å; S374-A380 WeakPolarHBondContact O-CB 3.39Å; S374-P386 WeakPolarHBondContact O-CD 3.46Å
375I98.4Very high95.2Very high0 Ų042.9 Ų42.90%026%0.259CS..Hα-helixtrans-114.4-48-177.1-57.9172000111.9V336 F339 V371 L372 Q373 A380 M385 L391V336-I375 HydrophobicContact CG1-CD1 4.37Å; V336-I375 HydrophobicContact CG1-CG1 4.22Å; V336-I375 HydrophobicContact CG1-CG2 4.15Å; V336-I375 WeakPolarHBondContact O-CG2 3.18Å; F339-I375 HydrophobicContact CD1-CD1 3.92Å; F339-I375 HydrophobicContact CE1-CD1 4.4Å; V371-I375 HydrophobicContact CG1-CD1 4.08Å; V371-I375 WeakPolarHBondContact O-CG1 3.39Å; V371-I375 PolarHBondContact O-N 2.84Å; L372-I375 PolarHBondContact O-N 2.99Å; L372-I375 VanDerWaalsContact O-N 3.15Å; Q373-I375 PolarHBondContact O-N 3.03Å; Q373-I375 VanDerWaalsContact O-N 3.17Å; I375-A380 WeakPolarHBondContact O-CB 3.34Å; I375-M385 HydrophobicContact CG2-CG 4.44Å; I375-M385 HydrophobicContact CG2-SD 3.74Å; I375-L391 HydrophobicContact CD1-CD1 4.1Å; I375-L391 HydrophobicContact CD1-CD2 3.99Å; I375-L391 HydrophobicContact CG1-CD2 4.38Å
376L97.7Very high95.7Very high0 Ų042 Ų420%026%0.258CS..Hα-helixtrans-102.7-7.3-167.5-59.1-176.7000114.2F337 Y344 V355 P356 V357 L372F337-L376 HydrophobicContact CD2-CD2 4.18Å; F337-L376 HydrophobicContact CE2-CD2 4.2Å; Y344-L376 HydrophobicContact CD2-CD1 4.29Å; V355-L376 HydrophobicContact CG1-CB 4.35Å; V355-L376 HydrophobicContact CG1-CD2 4Å; P356-L376 CarbonylContact C-O 3.59Å; P356-L376 WeakPolarHBondContact CA-O 3.31Å; P356-L376 WeakPolarHBondContact CB-O 3.4Å; V357-L376 HydrophobicContact CB-CB 4.45Å; V357-L376 PolarHBondContact N-O 3.19Å; L372-L376 HydrophobicContact CD2-CD1 4.14Å; L372-L376 PolarHBondContact O-N 2.96Å
377S97.1Very high96Very high18 Ų1841.2 Ų41.213%0.12625%0.249CC..SBendtrans-69163.2179.3680000112.9V357 Q373 D379 A380 C381V357-S377 WeakPolarHBondContact O-CA 3.36Å; Q373-S377 WeakPolarHBondContact O-CB 3.33Å; Q373-S377 PolarHBondContact O-N 3.34Å; Q373-S377 PolarHBondContact O-OG 3.43Å; S377-D379 PolarHBondContact O-N 3.18Å; S377-A380 PolarHBondContact O-N 2.65Å; S377-A380 WeakPolarHBondContact OG-CB 3.37Å; S377-A380 PolarHBondContact OG-N 2.93Å; S377-A380 VanDerWaalsContact OG-N 3.1Å; S377-C381 WeakPolarHBondContact O-CB 3.25Å; S377-C381 PolarHBondContact O-N 2.8Å; S377-C381 PolarHBondContact O-SG 3.32Å; S377-C381 VanDerWaalsContact O-SG 3.4Å
378T96.4Very high96.3Very high32 Ų3239.5 Ų39.520%0.19624%0.235CC..Hα-helixtrans-58.2-38.4173.8-72.40000111.3P356 D358 K382P356-T378 WeakPolarHBondContact CB-OG1 3.47Å; P356-T378 WeakPolarHBondContact CG-OG1 3.31Å; D358-T378 WeakPolarHBondContact OD1-CB 3.46Å; D358-T378 PolarHBondContact OD1-N 3.46Å; D358-T378 PolarHBondContact OD1-OG1 2.98Å; D358-T378 WeakPolarHBondContact OD2-CB 3.17Å; D358-T378 PolarHBondContact OD2-OG1 3.47Å; T378-K382 HydrophobicContact CG2-CD 3.97Å; T378-K382 VanDerWaalsContact CG2-NZ 3.32Å; T378-K382 WeakPolarHBondContact O-CB 3.4Å; T378-K382 VanDerWaalsContact O-CG 3.28Å; T378-K382 WeakPolarHBondContact O-CG 3.48Å; T378-K382 PolarHBondContact O-N 2.88Å
379D95.8Very high96.3Very high106 Ų10642.3 Ų42.357%0.56725%0.253SS*.Hα-helixtrans-66.4-50.6177.2-178.254.7000111.3S377 C381 K382 S383S377-D379 PolarHBondContact O-N 3.18Å; D379-C381 VanDerWaalsContact C-N 3.27Å; D379-C381 PolarHBondContact O-N 2.81Å; D379-K382 CarbonylContact O-C 3.52Å; D379-K382 PolarHBondContact O-N 2.97Å; D379-S383 VanDerWaalsContact O-CB 3.3Å; D379-S383 WeakPolarHBondContact O-CB 3.4Å; D379-S383 PolarHBondContact O-N 3.46Å; D379-S383 PolarHBondContact O-OG 2.71Å; D379-S383 PolarHBondContact OD1-OG 3.01Å
380A95.2Very high96.5Very high4 Ų443.3 Ų43.33%0.03326%0.264CS..Hα-helixtrans-55.7-43.1177.900000112.3S374 I375 S377 K382 G384 M385S374-A380 WeakPolarHBondContact O-CB 3.39Å; I375-A380 WeakPolarHBondContact O-CB 3.34Å; S377-A380 PolarHBondContact O-N 2.65Å; S377-A380 WeakPolarHBondContact OG-CB 3.37Å; S377-A380 PolarHBondContact OG-N 2.93Å; S377-A380 VanDerWaalsContact OG-N 3.1Å; A380-K382 PolarHBondContact O-N 3.39Å; A380-G384 CarbonylContact O-C 3.52Å; A380-G384 VanDerWaalsContact O-C 3.22Å; A380-G384 WeakPolarHBondContact O-CA 3.19Å; A380-G384 PolarHBondContact O-N 3.15Å; A380-G384 VanDerWaalsContact O-O 3.12Å; A380-M385 HydrophobicContact CB-CG 4.47Å
381C93.4Very high96.6Very high10 Ų1039.9 Ų39.97%0.06824%0.24CC..Hα-helixtrans-69-15178.4-72.50000114.2L325 S377 D379L325-C381 HydrophobicContact CD1-CB 4.48Å; L325-C381 HydrophobicContact CD2-CB 4.27Å; S377-C381 WeakPolarHBondContact O-CB 3.25Å; S377-C381 PolarHBondContact O-N 2.8Å; S377-C381 PolarHBondContact O-SG 3.32Å; S377-C381 VanDerWaalsContact O-SG 3.4Å; D379-C381 VanDerWaalsContact C-N 3.27Å; D379-C381 PolarHBondContact O-N 2.81Å
382K92.6Very high96.6Very high143 Ų14340 Ų4062%0.62224%0.24SC*.Hα-helixtrans-106.6-32.6178.5-74.7175.3-178.4170.90113.7K327 T378 D379 A380K327-K382 WeakPolarHBondContact CE-O 3.38Å; K327-K382 VanDerWaalsContact CG-O 3.27Å; K327-K382 WeakPolarHBondContact CG-O 3.12Å; T378-K382 HydrophobicContact CG2-CD 3.97Å; T378-K382 VanDerWaalsContact CG2-NZ 3.32Å; T378-K382 WeakPolarHBondContact O-CB 3.4Å; T378-K382 VanDerWaalsContact O-CG 3.28Å; T378-K382 WeakPolarHBondContact O-CG 3.48Å; T378-K382 PolarHBondContact O-N 2.88Å; D379-K382 CarbonylContact O-C 3.52Å; D379-K382 PolarHBondContact O-N 2.97Å; A380-K382 PolarHBondContact O-N 3.39Å
383S92.4Very high96.6Very high81 Ų8146.6 Ų46.657%0.56627%0.271SS*.Hα-helixtrans-99.5-26-172.5-59.60000111.5D379D379-S383 VanDerWaalsContact O-CB 3.3Å; D379-S383 WeakPolarHBondContact O-CB 3.4Å; D379-S383 PolarHBondContact O-N 3.46Å; D379-S383 PolarHBondContact O-OG 2.71Å; D379-S383 PolarHBondContact OD1-OG 3.01Å
384G92.3Very high96.6Very high35 Ų3543.7 Ų43.736%0.36126%0.26SS..  trans118.9160.2-176.400000111.2A380A380-G384 CarbonylContact O-C 3.52Å; A380-G384 VanDerWaalsContact O-C 3.22Å; A380-G384 WeakPolarHBondContact O-CA 3.19Å; A380-G384 PolarHBondContact O-N 3.15Å; A380-G384 VanDerWaalsContact O-O 3.12Å
385M97.2Very high96.5Very high37 Ų3747.1 Ų47.118%0.18228%0.281CS..  trans-107.2155.6179.6-61.3172.4-65.600110.6I328 S333 V336 F337 I375 A380I328-M385 HydrophobicContact CD1-CE 4.13Å; I328-M385 HydrophobicContact CD1-SD 4.48Å; I328-M385 HydrophobicContact CG1-CE 3.79Å; I328-M385 HydrophobicContact CG2-CE 4.29Å; S333-M385 WeakPolarHBondContact O-CE 3.36Å; V336-M385 HydrophobicContact CB-CE 4.44Å; V336-M385 HydrophobicContact CG1-CB 3.69Å; V336-M385 HydrophobicContact CG1-CE 4.4Å; V336-M385 HydrophobicContact CG1-CG 4.43Å; V336-M385 HydrophobicContact CG1-SD 4.08Å; F337-M385 HydrophobicContact CB-CE 3.99Å; F337-M385 HydrophobicContact CB-SD 4.01Å; F337-M385 HydrophobicContact CD2-SD 4.36Å; I375-M385 HydrophobicContact CG2-CG 4.44Å; I375-M385 HydrophobicContact CG2-SD 3.74Å; A380-M385 HydrophobicContact CB-CG 4.47Å
386P97.9Very high96.4Very high41 Ų4147.3 Ų47.327%0.26628%0.282SS..  trans-57.7155.6172.8-23.132.4000112.7V336 S374 A390 L391V336-P386 WeakPolarHBondContact CG1-O 2.95Å; V336-P386 WeakPolarHBondContact CG2-O 3.43Å; S374-P386 WeakPolarHBondContact O-CD 3.46Å; P386-A390 HydrophobicContact CB-CB 4.21Å; P386-L391 HydrophobicContact CB-CD2 3.94Å; P386-L391 HydrophobicContact CB-CG 4.1Å; P386-L391 HydrophobicContact CG-CD2 4.17Å
387T98.3Very high96.4Very high89 Ų8947.3 Ų47.355%0.54628%0.282SS..  trans-77.8159.9170.764.90000111.1A390 L391T387-A390 WeakPolarHBondContact O-CB 3.18Å; T387-A390 PolarHBondContact O-N 3.18Å; T387-A390 PolarHBondContact OG1-N 2.9Å; T387-L391 PolarHBondContact O-N 3.43Å
388V98.4Very high96.3Very high2 Ų249.2 Ų49.21%0.01230%0.295CS..Hα-helixtrans-54.9-45.8175.2171.70000112.3L274 L277 K278 V336 A390 L391 I392L274-V388 HydrophobicContact CB-CG1 4.36Å; L274-V388 HydrophobicContact CD2-CG1 4.08Å; L274-V388 VanDerWaalsContact O-CG1 3.27Å; L274-V388 WeakPolarHBondContact O-CG1 3.47Å; L277-V388 HydrophobicContact CB-CG1 4.12Å; L277-V388 HydrophobicContact CB-CG2 4.07Å; L277-V388 HydrophobicContact CD1-CG2 4.26Å; K278-V388 HydrophobicContact CB-CG1 3.93Å; V336-V388 HydrophobicContact CG2-CG2 3.98Å; V388-A390 VanDerWaalsContact C-N 3.3Å; V388-A390 PolarHBondContact O-N 3.26Å; V388-L391 PolarHBondContact O-N 3.47Å; V388-I392 HydrophobicContact CG1-CD1 4.12Å; V388-I392 WeakPolarHBondContact O-CG1 3.46Å; V388-I392 PolarHBondContact O-N 2.91Å
389P97.8Very high96.2Very high61 Ų6152.1 Ų52.140%0.39631%0.309SS..Hα-helixtrans-58.6-37.3173.2-26.936.2000113.9I392 Q393P389-I392 PolarHBondContact O-N 3.38Å; P389-Q393 WeakPolarHBondContact O-CG 3.5Å; P389-Q393 PolarHBondContact O-N 3.07Å
390A98.4Very high96.2Very high46 Ų4648.1 Ų48.138%0.3829%0.289SS..Hα-helixtrans-67.4-40.8176.600000111.7P386 T387 V388 I392 Q393 T394P386-A390 HydrophobicContact CB-CB 4.21Å; T387-A390 WeakPolarHBondContact O-CB 3.18Å; T387-A390 PolarHBondContact O-N 3.18Å; T387-A390 PolarHBondContact OG1-N 2.9Å; V388-A390 VanDerWaalsContact C-N 3.3Å; V388-A390 PolarHBondContact O-N 3.26Å; A390-I392 VanDerWaalsContact C-N 3.33Å; A390-I392 PolarHBondContact O-N 2.86Å; A390-Q393 PolarHBondContact O-N 3.29Å; A390-Q393 VanDerWaalsContact O-N 3.15Å; A390-T394 PolarHBondContact O-N 3.01Å
391L98.6Very high95.9Very high0 Ų057.4 Ų57.40%033%0.328CS..Hα-helixtrans-60.4-42.7175.1-68.5174.5000111.8L274 V336 F339 V371 I375 P386 T387 V388 Q393 T394 F397L274-L391 HydrophobicContact CD1-CB 3.98Å; L274-L391 HydrophobicContact CD2-CB 3.97Å; L274-L391 HydrophobicContact CD2-CD1 3.91Å; V336-L391 HydrophobicContact CG1-CD1 4.14Å; V336-L391 HydrophobicContact CG2-CD1 4.47Å; F339-L391 HydrophobicContact CD1-CD1 3.98Å; F339-L391 HydrophobicContact CE1-CD1 4.26Å; V371-L391 HydrophobicContact CG1-CD2 4.04Å; I375-L391 HydrophobicContact CD1-CD1 4.1Å; I375-L391 HydrophobicContact CD1-CD2 3.99Å; I375-L391 HydrophobicContact CG1-CD2 4.38Å; P386-L391 HydrophobicContact CB-CD2 3.94Å; P386-L391 HydrophobicContact CB-CG 4.1Å; P386-L391 HydrophobicContact CG-CD2 4.17Å; T387-L391 PolarHBondContact O-N 3.43Å; V388-L391 PolarHBondContact O-N 3.47Å; L391-Q393 PolarHBondContact O-N 3.38Å; L391-T394 WeakPolarHBondContact O-CB 3.38Å; L391-T394 WeakPolarHBondContact O-CG2 3.49Å; L391-T394 PolarHBondContact O-N 2.93Å; L391-T394 PolarHBondContact O-OG1 3.41Å; L391-F397 WeakPolarHBondContact O-CD2 3.48Å
392I97.6Very high95.8Very high6 Ų658.3 Ų58.33%0.03133%0.332CS..Hα-helixtrans-56.1-34.5176.2-74.8171.6000112.1L274 K278 V388 P389 A390 T394 S398L274-I392 HydrophobicContact CB-CD1 4.12Å; L274-I392 HydrophobicContact CB-CG1 3.66Å; L274-I392 HydrophobicContact CD1-CG1 4.14Å; L274-I392 HydrophobicContact CG-CG1 4.45Å; K278-I392 HydrophobicContact CB-CD1 4.24Å; K278-I392 HydrophobicContact CD-CD1 3.97Å; V388-I392 HydrophobicContact CG1-CD1 4.12Å; V388-I392 WeakPolarHBondContact O-CG1 3.46Å; V388-I392 PolarHBondContact O-N 2.91Å; P389-I392 PolarHBondContact O-N 3.38Å; A390-I392 VanDerWaalsContact C-N 3.33Å; A390-I392 PolarHBondContact O-N 2.86Å; I392-T394 VanDerWaalsContact C-N 3.33Å; I392-S398 WeakPolarHBondContact O-CA 3.45Å; I392-S398 PolarHBondContact O-N 3Å
393Q97.6Very high95.1Very high140 Ų14061 Ų6165%0.65434%0.344SS*.THydrogen-bonded Turntrans-84.9-2-179.5-61.8-59-30.600114P389 A390 L391P389-Q393 WeakPolarHBondContact O-CG 3.5Å; P389-Q393 PolarHBondContact O-N 3.07Å; A390-Q393 PolarHBondContact O-N 3.29Å; A390-Q393 VanDerWaalsContact O-N 3.15Å; L391-Q393 PolarHBondContact O-N 3.38Å
394T97.6Very high93.9Very high27 Ų2762 Ų6217%0.16634%0.34CS..SBendtrans-65.9156177.461.80000111.6V371 A390 L391 I392 L396 F397 S398V371-T394 HydrophobicContact CG2-CG2 4.26Å; A390-T394 PolarHBondContact O-N 3.01Å; L391-T394 WeakPolarHBondContact O-CB 3.38Å; L391-T394 WeakPolarHBondContact O-CG2 3.49Å; L391-T394 PolarHBondContact O-N 2.93Å; L391-T394 PolarHBondContact O-OG1 3.41Å; I392-T394 VanDerWaalsContact C-N 3.33Å; T394-L396 PolarHBondContact O-N 3.14Å; T394-F397 PolarHBondContact O-N 3.24Å; T394-F397 VanDerWaalsContact O-N 3.07Å; T394-F397 WeakPolarHBondContact OG1-CD2 3.03Å; T394-S398 VanDerWaalsContact O-CB 3.31Å; T394-S398 WeakPolarHBondContact O-CB 3.39Å; T394-S398 PolarHBondContact O-N 3.41Å; T394-S398 PolarHBondContact O-OG 3.37Å
395P96Very high92.2Very high112 Ų11265.2 Ų65.273%0.72736%0.357SS*.THydrogen-bonded Turntrans-57.1-21.1176.3-2735.8000114.4
396L97Very high90.3Very high4 Ų471.4 Ų71.42%0.02139%0.385CS..THydrogen-bonded Turntrans-73.5-30.9178.6-175.361.9000113.2L263 K267 L343 A367 V368 V371 T394L263-L396 HydrophobicContact CD1-CD1 4.27Å; K267-L396 VanDerWaalsContact CE-O 3.26Å; K267-L396 WeakPolarHBondContact CE-O 3.31Å; K267-L396 HydrophobicContact CG-CD1 3.85Å; K267-L396 WeakPolarHBondContact CG-O 3.11Å; L343-L396 HydrophobicContact CD2-CD2 4.47Å; A367-L396 HydrophobicContact CB-CD1 4.2Å; V368-L396 HydrophobicContact CB-CD2 4.4Å; V368-L396 HydrophobicContact CG2-CD1 3.68Å; V368-L396 HydrophobicContact CG2-CD2 4.09Å; V371-L396 HydrophobicContact CB-CD2 4.21Å; V371-L396 HydrophobicContact CG2-CB 4.05Å; V371-L396 HydrophobicContact CG2-CD2 3.82Å; T394-L396 PolarHBondContact O-N 3.14Å
397F97.4Very high88.7Confident0 Ų078.9 Ų78.90%041%0.413CS..THydrogen-bonded Turntrans-123.7-16.5-169.1-58.7-56.9000114.8R271 L274 F339 L343 V371 L391 T394 D399 V400R271-F397 HydrophobicContact CB-CD1 4.35Å; R271-F397 PolarHBondContact NH1-O 3.22Å; L274-F397 HydrophobicContact CD1-CD2 3.51Å; L274-F397 HydrophobicContact CD1-CE2 3.71Å; L274-F397 HydrophobicContact CD1-CG 3.98Å; L274-F397 HydrophobicContact CD1-CZ 4.34Å; F339-F397 HydrophobicContact CE1-CE2 4.08Å; F339-F397 HydrophobicContact CE1-CZ 4.24Å; F339-F397 AromaticContact CZ-CE2 3.83Å; F339-F397 HydrophobicContact CZ-CE2 3.83Å; F339-F397 AromaticContact CZ-CZ 3.65Å; F339-F397 HydrophobicContact CZ-CZ 3.65Å; L343-F397 HydrophobicContact CD1-CZ 4.4Å; L343-F397 HydrophobicContact CD2-CZ 4.49Å; V371-F397 HydrophobicContact CG1-CE2 4.27Å; L391-F397 WeakPolarHBondContact O-CD2 3.48Å; T394-F397 PolarHBondContact O-N 3.24Å; T394-F397 VanDerWaalsContact O-N 3.07Å; T394-F397 WeakPolarHBondContact OG1-CD2 3.03Å; F397-D399 VanDerWaalsContact C-N 3.33Å; F397-D399 PolarHBondContact O-N 3.17Å; F397-V400 PolarHBondContact O-N 3.25Å
398S95.4Very high87.4Confident57 Ų5777.1 Ų77.140%0.39940%0.4SS..THydrogen-bonded Turntrans-67.2-30.9-173.549.20000113.7I392 T394I392-S398 WeakPolarHBondContact O-CA 3.45Å; I392-S398 PolarHBondContact O-N 3Å; T394-S398 VanDerWaalsContact O-CB 3.31Å; T394-S398 WeakPolarHBondContact O-CB 3.39Å; T394-S398 PolarHBondContact O-N 3.41Å; T394-S398 PolarHBondContact O-OG 3.37Å
399D93.4Very high86.5Confident94 Ų9484 Ų8450%0.50343%0.432SS..THydrogen-bonded Turntrans-87.2-7.2-178.368.9-26.6000114.1K267 F397 K401K267-D399 VanDerWaalsContact CE-OD1 3.26Å; K267-D399 WeakPolarHBondContact CE-OD1 3.28Å; K267-D399 VanDerWaalsContact NZ-CG 3.3Å; K267-D399 IonicContact NZ-OD1 3.11Å; K267-D399 PolarHBondContact NZ-OD1 3.2Å; K267-D399 VanDerWaalsContact NZ-OD1 3.11Å; K267-D399 IonicContact NZ-OD2 2.7Å; K267-D399 PolarHBondContact NZ-OD2 2.96Å; F397-D399 VanDerWaalsContact C-N 3.33Å; F397-D399 PolarHBondContact O-N 3.17Å; D399-K401 PolarHBondContact O-N 3.18Å
400V94.9Very high85.9Confident22 Ų2282 Ų8213%0.13342%0.418CS..  trans-76.1110.7-178.1-179.10000110.6K267 L268 R271 F397 L402K267-V400 HydrophobicContact CB-CG2 3.83Å; L268-V400 HydrophobicContact CD1-CG1 4.11Å; R271-V400 HydrophobicContact CB-CB 3.98Å; R271-V400 HydrophobicContact CB-CG1 3.8Å; R271-V400 HydrophobicContact CB-CG2 4.38Å; R271-V400 HydrophobicContact CG-CB 3.95Å; R271-V400 HydrophobicContact CG-CG1 3.92Å; F397-V400 PolarHBondContact O-N 3.25Å; V400-L402 HydrophobicContact CG1-CD2 4.19Å
401K90.6Very high85.4Confident198 Ų19888.5 Ų88.586%0.86144%0.438SS*.  trans-83.6119.7176.1-64.1-177.2-177.8178.60111.3D399D399-K401 PolarHBondContact O-N 3.18Å
402L90.3Very high85.1Confident29 Ų2989.8 Ų89.815%0.15245%0.445CS..  trans-93.1139.8177.8-63.9-174.8000111.9Y209 L268 R271 Q272 E275 V400 H404Y209-L402 HydrophobicContact CE2-CD1 3.99Å; L268-L402 HydrophobicContact CD1-CD2 4.16Å; R271-L402 HydrophobicContact CB-CD2 4.49Å; R271-L402 HydrophobicContact CG-CD1 3.99Å; R271-L402 HydrophobicContact CG-CD2 3.96Å; R271-L402 HydrophobicContact CG-CG 4Å; Q272-L402 HydrophobicContact CG-CD2 3.66Å; E275-L402 HydrophobicContact CB-CD1 4.46Å; E275-L402 HydrophobicContact CG-CD1 3.5Å; E275-L402 VanDerWaalsContact CG-CD1 3.5Å; V400-L402 HydrophobicContact CG1-CD2 4.19Å; L402-H404 VanDerWaalsContact C-N 3.33Å; L402-H404 PolarHBondContact O-N 3.43Å
403K77.3Confident85Confident201 Ų20193 Ų9387%0.87447%0.467SS*.THydrogen-bonded Turntrans-68.7-28.8179-65.4-177.8179.81790113.5
404H68Low84.8Confident102 Ų10290.9 Ų90.947%0.47247%0.468SS..THydrogen-bonded Turntrans-115.455.5-174.9-56.389.2000111.2A208 L402 E406A208-H404 HydrophobicContact CB-CB 3.91Å; L402-H404 VanDerWaalsContact C-N 3.33Å; L402-H404 PolarHBondContact O-N 3.43Å; H404-E406 PolarHBondContact O-N 3.41Å
405S56.8Low84.7Confident102 Ų10296.8 Ų96.871%0.71349%0.487SS*.  trans-81.918.3-176-173.20000114.2
406E57.8Low84.7Confident166 Ų16691.7 Ų91.778%0.77645%0.454SS*.SBendtrans-61.4153.1176.6-65.4-176.2177.200110.6H404 L408H404-E406 PolarHBondContact O-N 3.41Å; E406-L408 PolarHBondContact O-N 2.81Å
407K63.8Low84.7Confident199 Ų19997.7 Ų97.787%0.86548%0.479SS*.  trans-65.680.9175-74.8-177.8179.21770109.6Q409K407-Q409 PolarHBondContact O-N 3.37Å
408L71.5Confident84.6Confident52 Ų52104.4 Ų104.427%0.27251%0.511SS..  trans-63.4126.4171.9-64.9174.2000108S206 L279 E406S206-L408 WeakPolarHBondContact O-CD2 3.29Å; L279-L408 HydrophobicContact CD1-CB 3.82Å; L279-L408 VanDerWaalsContact CD1-O 3.23Å; L279-L408 WeakPolarHBondContact CD1-O 3.34Å; L279-L408 HydrophobicContact CD2-CB 4.02Å; L279-L408 HydrophobicContact CD2-CD1 4.36Å; E406-L408 PolarHBondContact O-N 2.81Å
409Q77.8Confident84.7Confident147 Ų147102.6 Ų102.669%0.68750%0.499SS*.  trans-138.8131.5174.5-70-171.9-12.300109K407K407-Q409 PolarHBondContact O-N 3.37Å
410I85.6Confident84.9Confident19 Ų1998.8 Ų98.810%0.09748%0.479CS..  trans-90.8113.9169.7-51.4174.5000106.9L201 M207 L279 L280 S283 L285 V412L201-I410 HydrophobicContact CB-CG2 4.32Å; L201-I410 HydrophobicContact CD1-CG2 4.42Å; M207-I410 HydrophobicContact SD-CD1 3.97Å; M207-I410 HydrophobicContact SD-CG1 4.11Å; L279-I410 HydrophobicContact CD1-CG1 4.04Å; L279-I410 HydrophobicContact CD2-CD1 4.38Å; L279-I410 HydrophobicContact CD2-CG1 4.36Å; L279-I410 HydrophobicContact CG-CD1 4.07Å; L279-I410 HydrophobicContact CG-CG1 4.09Å; L280-I410 HydrophobicContact CD2-CD1 4.28Å; S283-I410 WeakPolarHBondContact OG-CB 3.36Å; L285-I410 HydrophobicContact CD1-CD1 4.14Å; I410-V412 HydrophobicContact CG2-CG2 4.03Å; I410-V412 PolarHBondContact O-N 3.36Å; I410-V412 VanDerWaalsContact O-N 3.09Å
411K88.8Confident85Confident181 Ų181105.7 Ų105.779%0.78751%0.507SS*.  trans-77.296.1175.4-68.8-176-179.2178.70109.4
412V92.3Very high85.3Confident27 Ų27100.1 Ų100.116%0.16449%0.493CS..  trans-89.6123177.4-1730000109.9L201 I410 L416 K417 L420L201-V412 HydrophobicContact CD1-CG1 4.22Å; L201-V412 HydrophobicContact CD1-CG2 4.05Å; I410-V412 HydrophobicContact CG2-CG2 4.03Å; I410-V412 PolarHBondContact O-N 3.36Å; I410-V412 VanDerWaalsContact O-N 3.09Å; V412-L416 HydrophobicContact CG1-CB 4.16Å; V412-L416 HydrophobicContact CG1-CD2 4.27Å; V412-L416 HydrophobicContact CG1-CG 4.12Å; V412-K417 HydrophobicContact CG1-CB 4.04Å; V412-L420 HydrophobicContact CG1-CD1 3.95Å
413P94.3Very high85.6Confident75 Ų7599.5 Ų99.549%0.48749%0.492SS..  trans-56.2143.8173.5-25.234.3000112.2R415 L416 K417P413-R415 PolarHBondContact O-N 3.03Å; P413-L416 HydrophobicContact CB-CB 4.33Å; P413-L416 PolarHBondContact O-N 2.94Å; P413-K417 PolarHBondContact O-N 3.31Å
414S94.6Very high86.5Confident95 Ų9592 Ų9266%0.66446%0.459SS*.Hα-helixtrans-53-49.4-175.452.70000113.3L416 K417 E418S414-L416 VanDerWaalsContact C-N 3.31Å; S414-L416 PolarHBondContact O-N 3.09Å; S414-K417 WeakPolarHBondContact O-CB 3.42Å; S414-K417 PolarHBondContact O-N 2.95Å; S414-K417 VanDerWaalsContact O-N 3.15Å; S414-E418 PolarHBondContact O-N 3.08Å; S414-E418 VanDerWaalsContact O-N 3.13Å
415R94.9Very high87.9Confident150 Ų15088.9 Ų88.957%0.56645%0.454SS*.Hα-helixtrans-56.7-43.6176.3178.3-178.4168.8153.88.6112.3P413 E418 A419P413-R415 PolarHBondContact O-N 3.03Å; R415-E418 PolarHBondContact O-N 3.44Å; R415-A419 PolarHBondContact O-N 2.88Å
416L96.1Very high89.8Confident6 Ų686 Ų863%0.03144%0.435CS..Hα-helixtrans-70.2-36.1-179.9-178.258.3000111.1D194 A198 L201 V412 P413 S414 E418 A419 L420D194-L416 HydrophobicContact CB-CD1 4.02Å; D194-L416 WeakPolarHBondContact O-CD1 3.32Å; A198-L416 HydrophobicContact CB-CD1 4.23Å; A198-L416 HydrophobicContact CB-CD2 4.29Å; L201-L416 HydrophobicContact CD1-CD2 3.62Å; L201-L416 HydrophobicContact CG-CD2 4.27Å; V412-L416 HydrophobicContact CG1-CB 4.16Å; V412-L416 HydrophobicContact CG1-CD2 4.27Å; V412-L416 HydrophobicContact CG1-CG 4.12Å; P413-L416 HydrophobicContact CB-CB 4.33Å; P413-L416 PolarHBondContact O-N 2.94Å; S414-L416 VanDerWaalsContact C-N 3.31Å; S414-L416 PolarHBondContact O-N 3.09Å; L416-E418 VanDerWaalsContact C-N 3.29Å; L416-E418 PolarHBondContact O-N 3.01Å; L416-A419 PolarHBondContact O-N 2.83Å; L416-L420 HydrophobicContact CD1-CG 4.24Å; L416-L420 HydrophobicContact CG-CD1 4.03Å; L416-L420 HydrophobicContact CG-CG 4.27Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 VanDerWaalsContact O-CG 3.28Å; L416-L420 WeakPolarHBondContact O-CG 3.15Å; L416-L420 PolarHBondContact O-N 3.42Å
417K96.2Very high91.6Very high129 Ų12978.8 Ų78.856%0.56140%0.401SS*.Hα-helixtrans-59.2-40.5175.5-171.5177-178.2174.90111.8V412 P413 S414 K421V412-K417 HydrophobicContact CG1-CB 4.04Å; P413-K417 PolarHBondContact O-N 3.31Å; S414-K417 WeakPolarHBondContact O-CB 3.42Å; S414-K417 PolarHBondContact O-N 2.95Å; S414-K417 VanDerWaalsContact O-N 3.15Å; K417-K421 WeakPolarHBondContact O-CB 3.39Å; K417-K421 PolarHBondContact O-N 3.44Å
418E97Very high93.2Very high142 Ų14271.3 Ų71.366%0.66437%0.369SS*.Hα-helixtrans-66.7-44.2174.7-69.4175.8179.800112.2S414 R415 L416 L420 K421 S422S414-E418 PolarHBondContact O-N 3.08Å; S414-E418 VanDerWaalsContact O-N 3.13Å; R415-E418 PolarHBondContact O-N 3.44Å; L416-E418 VanDerWaalsContact C-N 3.29Å; L416-E418 PolarHBondContact O-N 3.01Å; E418-L420 PolarHBondContact O-N 2.99Å; E418-K421 PolarHBondContact O-N 2.99Å; E418-S422 PolarHBondContact O-N 2.81Å
419A97.3Very high94.4Very high19 Ų1975.2 Ų75.216%0.15738%0.384CS..Hα-helixtrans-60.9-44.5176.500000112L190 D194 R415 L416 K421 S422 A423L190-A419 HydrophobicContact CD2-CB 4.12Å; D194-A419 HydrophobicContact CB-CB 4.14Å; R415-A419 PolarHBondContact O-N 2.88Å; L416-A419 PolarHBondContact O-N 2.83Å; A419-K421 PolarHBondContact O-N 2.94Å; A419-S422 PolarHBondContact O-N 2.97Å; A419-A423 WeakPolarHBondContact O-CB 3.42Å; A419-A423 PolarHBondContact O-N 2.87Å
420L96.5Very high95.2Very high13 Ų1370.1 Ų70.17%0.06836%0.359CS..Hα-helixtrans-61.7-42.7175.7-71.6169.7000111.8L190 A198 L285 M311 V412 L416 E418 S422 A423 K424L190-L420 HydrophobicContact CD1-CD2 4.1Å; L190-L420 HydrophobicContact CD2-CD2 4.32Å; A198-L420 HydrophobicContact CB-CD2 4.49Å; L285-L420 HydrophobicContact CD2-CD1 3.66Å; L285-L420 HydrophobicContact CD2-CD2 3.77Å; L285-L420 HydrophobicContact CD2-CG 4.33Å; L285-L420 HydrophobicContact CG-CD1 4.44Å; M311-L420 HydrophobicContact SD-CD2 4.48Å; V412-L420 HydrophobicContact CG1-CD1 3.95Å; L416-L420 HydrophobicContact CD1-CG 4.24Å; L416-L420 HydrophobicContact CG-CD1 4.03Å; L416-L420 HydrophobicContact CG-CG 4.27Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 VanDerWaalsContact O-CG 3.28Å; L416-L420 WeakPolarHBondContact O-CG 3.15Å; L416-L420 PolarHBondContact O-N 3.42Å; E418-L420 PolarHBondContact O-N 2.99Å; L420-S422 VanDerWaalsContact C-N 3.35Å; L420-S422 PolarHBondContact O-N 2.93Å; L420-A423 PolarHBondContact O-N 2.96Å; L420-K424 WeakPolarHBondContact O-CB 3.27Å; L420-K424 PolarHBondContact O-N 2.78Å
421K96.9Very high95.7Very high168 Ų16869.2 Ų69.273%0.7335%0.354SS*.Hα-helixtrans-60.8-43.3175.6-175.5-178.9178-175.90111.8K417 E418 A419 G425K417-K421 WeakPolarHBondContact O-CB 3.39Å; K417-K421 PolarHBondContact O-N 3.44Å; E418-K421 PolarHBondContact O-N 2.99Å; A419-K421 PolarHBondContact O-N 2.94Å; K421-G425 PolarHBondContact O-N 2.69Å
422S97.3Very high96.1Very high81 Ų8166.1 Ų66.157%0.56634%0.342SS*.Hα-helixtrans-65.2-45.3177.2-173.60000112.1E418 A419 L420 K424 G425 S426E418-S422 PolarHBondContact O-N 2.81Å; A419-S422 PolarHBondContact O-N 2.97Å; L420-S422 VanDerWaalsContact C-N 3.35Å; L420-S422 PolarHBondContact O-N 2.93Å; S422-K424 PolarHBondContact O-N 3.31Å; S422-G425 PolarHBondContact O-N 2.67Å; S422-S426 PolarHBondContact O-N 2.92Å; S422-S426 PolarHBondContact O-OG 3.25Å
423A96.3Very high96.2Very high15 Ų1569.3 Ų69.312%0.12436%0.355CS..Hα-helixtrans-60.9-44.5177.100000112F189 L190 A419 L420 S426 L427F189-A423 HydrophobicContact CB-CB 3.83Å; F189-A423 WeakPolarHBondContact CD2-O 3.24Å; L190-A423 HydrophobicContact CD2-CB 3.81Å; L190-A423 HydrophobicContact CG-CB 4.05Å; A419-A423 WeakPolarHBondContact O-CB 3.42Å; A419-A423 PolarHBondContact O-N 2.87Å; L420-A423 PolarHBondContact O-N 2.96Å; A423-S426 WeakPolarHBondContact O-CB 3.44Å; A423-S426 PolarHBondContact O-N 2.96Å; A423-L427 PolarHBondContact O-N 2.9Å
424K96.4Very high96.2Very high44 Ų4466.9 Ų66.919%0.19134%0.337CS..Hα-helixtrans-56.5-49.6172.7170.3175.9169.2174.20111.9T331 E332 L420 S422 S426 L427 E428T331-K424 HydrophobicContact CG2-CD 4.37Å; T331-K424 HydrophobicContact CG2-CG 3.84Å; T331-K424 WeakPolarHBondContact OG1-CD 3.34Å; T331-K424 WeakPolarHBondContact OG1-CE 3.12Å; T331-K424 PolarHBondContact OG1-NZ 2.91Å; E332-K424 IonicContact OE1-NZ 3.53Å; E332-K424 PolarHBondContact OE1-NZ 2.56Å; E332-K424 IonicContact OE2-NZ 3.78Å; E332-K424 PolarHBondContact OE2-NZ 2.81Å; L420-K424 WeakPolarHBondContact O-CB 3.27Å; L420-K424 PolarHBondContact O-N 2.78Å; S422-K424 PolarHBondContact O-N 3.31Å; K424-S426 PolarHBondContact O-N 3.32Å; K424-L427 PolarHBondContact O-N 3.2Å; K424-E428 WeakPolarHBondContact CE-OE1 3.43Å; K424-E428 IonicContact NZ-OE1 2.6Å; K424-E428 WeakPolarHBondContact O-CG 3.46Å; K424-E428 PolarHBondContact O-N 3.46Å
425G97.2Very high96.2Very high36 Ų3662.7 Ų62.737%0.37131%0.307SS..Hα-helixtrans-60.4-35178.400000113K421 S422 K429K421-G425 PolarHBondContact O-N 2.69Å; S422-G425 PolarHBondContact O-N 2.67Å; G425-K429 VanDerWaalsContact O-CB 3.3Å; G425-K429 WeakPolarHBondContact O-CB 3.36Å; G425-K429 PolarHBondContact O-N 3.25Å
426S97.2Very high96.2Very high43 Ų4363.7 Ų63.730%0.30131%0.311SS..Hα-helixtrans-68.2-40.3176.9-58.10000112S422 A423 K424 K429 R430S422-S426 PolarHBondContact O-N 2.92Å; S422-S426 PolarHBondContact O-OG 3.25Å; A423-S426 WeakPolarHBondContact O-CB 3.44Å; A423-S426 PolarHBondContact O-N 2.96Å; K424-S426 PolarHBondContact O-N 3.32Å; S426-K429 PolarHBondContact O-N 2.82Å; S426-R430 PolarHBondContact O-N 3.49Å
427L95.5Very high96.1Very high13 Ų1368.4 Ų68.47%0.06833%0.334CS..Hα-helixtrans-64.2-47.8174.5-174.4158.6000111.9D187 F189 F286 T331 I334 A423 K424 K429 R430 L431D187-L427 HydrophobicContact CB-CD1 4.31Å; F189-L427 HydrophobicContact CD2-CB 4.2Å; F189-L427 HydrophobicContact CE2-CB 3.83Å; F286-L427 HydrophobicContact CE1-CD1 4.28Å; F286-L427 HydrophobicContact CE2-CD1 4Å; F286-L427 HydrophobicContact CZ-CD1 3.42Å; F286-L427 VanDerWaalsContact CZ-CD1 3.42Å; T331-L427 HydrophobicContact CG2-CD2 4.02Å; I334-L427 HydrophobicContact CD1-CD2 4.32Å; A423-L427 PolarHBondContact O-N 2.9Å; K424-L427 PolarHBondContact O-N 3.2Å; L427-K429 VanDerWaalsContact C-N 3.3Å; L427-K429 PolarHBondContact O-N 2.63Å; L427-R430 PolarHBondContact O-N 3.21Å; L427-L431 PolarHBondContact O-N 3.37Å
428E97.4Very high95.9Very high43 Ų4363.4 Ų63.420%0.20131%0.314CS..Hα-helixtrans-62.8-38.7178.7-68.6176164.700111.3T330 T331 K424 L431 H432T330-E428 WeakPolarHBondContact CA-OE1 3.08Å; T330-E428 WeakPolarHBondContact CB-OE1 3.34Å; T331-E428 HydrophobicContact CG2-CG 4.15Å; T331-E428 PolarHBondContact N-OE1 2.92Å; K424-E428 WeakPolarHBondContact CE-OE1 3.43Å; K424-E428 IonicContact NZ-OE1 2.6Å; K424-E428 WeakPolarHBondContact O-CG 3.46Å; K424-E428 PolarHBondContact O-N 3.46Å; E428-L431 PolarHBondContact O-N 3.38Å; E428-H432 WeakPolarHBondContact O-CB 3.42Å; E428-H432 PolarHBondContact O-N 3.39Å
429K97.4Very high95.7Very high133 Ų13359.6 Ų59.658%0.57830%0.295SS*.Hα-helixtrans-60.8-49.6173.5-175.9-176.9175.9-172.20111.7G425 S426 L427 L431 H432 E433G425-K429 VanDerWaalsContact O-CB 3.3Å; G425-K429 WeakPolarHBondContact O-CB 3.36Å; G425-K429 PolarHBondContact O-N 3.25Å; S426-K429 PolarHBondContact O-N 2.82Å; L427-K429 VanDerWaalsContact C-N 3.3Å; L427-K429 PolarHBondContact O-N 2.63Å; K429-L431 VanDerWaalsContact C-N 3.32Å; K429-L431 PolarHBondContact O-N 2.82Å; K429-H432 WeakPolarHBondContact O-CB 3.28Å; K429-H432 PolarHBondContact O-N 3.03Å; K429-H432 VanDerWaalsContact O-N 3.16Å; K429-E433 WeakPolarHBondContact CE-OE1 3.26Å; K429-E433 WeakPolarHBondContact O-CG 3.45Å; K429-E433 PolarHBondContact O-N 3.32Å
430R94.9Very high95.4Very high41 Ų4163.8 Ų63.816%0.15531%0.312CS..Hα-helixtrans-59.3-44.1177.5-174.6-168.5164.2-143.2-9111.3D16 D187 R319 S426 L427 H432 E433 E434D16-R430 IonicContact OD2-CZ 3.43Å; D16-R430 IonicContact OD2-NH1 2.7Å; D16-R430 IonicContact OD2-NH2 3Å; D16-R430 PolarHBondContact OD2-NH2 3.41Å; D187-R430 WeakPolarHBondContact OD1-CD 3.31Å; D187-R430 IonicContact OD1-CZ 3.64Å; D187-R430 IonicContact OD1-NE 3.01Å; D187-R430 IonicContact OD1-NH1 3.4Å; D187-R430 PolarHBondContact OD1-NH1 2.95Å; D187-R430 IonicContact OD2-NH1 3.59Å; D187-R430 PolarHBondContact OD2-NH1 2.93Å; R319-R430 VanDerWaalsContact NH2-CZ 3.33Å; S426-R430 PolarHBondContact O-N 3.49Å; L427-R430 PolarHBondContact O-N 3.21Å; R430-H432 VanDerWaalsContact C-N 3.31Å; R430-H432 PolarHBondContact O-N 3.44Å; R430-E433 PolarHBondContact O-N 3Å; R430-E434 IonicContact CZ-OE1 3.34Å; R430-E434 IonicContact NE-OE1 3.4Å; R430-E434 PolarHBondContact NE-OE1 3.27Å; R430-E434 IonicContact NH2-OE1 3.02Å; R430-E434 PolarHBondContact NH2-OE1 3.29Å; R430-E434 WeakPolarHBondContact O-CG 3.09Å; R430-E434 PolarHBondContact O-N 3.39Å
431L95.8Very high95.2Very high0 Ų066.5 Ų66.50%032%0.324CS..Hα-helixtrans-58.4-43.6175.9173.758.7000111.7F322 T323 I334 L427 E428 K429 E434 Q435F322-L431 HydrophobicContact CD2-CD1 3.95Å; F322-L431 HydrophobicContact CD2-CD2 4.48Å; F322-L431 HydrophobicContact CE2-CD1 3.92Å; F322-L431 HydrophobicContact CE2-CD2 4.4Å; T323-L431 HydrophobicContact CG2-CD1 3.63Å; I334-L431 HydrophobicContact CD1-CD2 3.83Å; I334-L431 HydrophobicContact CG1-CD2 4.4Å; L427-L431 PolarHBondContact O-N 3.37Å; E428-L431 PolarHBondContact O-N 3.38Å; K429-L431 VanDerWaalsContact C-N 3.32Å; K429-L431 PolarHBondContact O-N 2.82Å; L431-E434 PolarHBondContact O-N 3.36Å; L431-Q435 HydrophobicContact CD1-CG 4.15Å; L431-Q435 WeakPolarHBondContact O-CB 3.33Å; L431-Q435 WeakPolarHBondContact O-CG 3.41Å; L431-Q435 PolarHBondContact O-N 2.92Å
432H96.5Very high94.9Very high115 Ų11563.4 Ų63.453%0.53231%0.308SS..Hα-helixtrans-63.9-41.7178.4-168.274.9000112.4E428 K429 R430 Q435 R436E428-H432 WeakPolarHBondContact O-CB 3.42Å; E428-H432 PolarHBondContact O-N 3.39Å; K429-H432 WeakPolarHBondContact O-CB 3.28Å; K429-H432 PolarHBondContact O-N 3.03Å; K429-H432 VanDerWaalsContact O-N 3.16Å; R430-H432 VanDerWaalsContact C-N 3.31Å; R430-H432 PolarHBondContact O-N 3.44Å; H432-Q435 PolarHBondContact O-N 3.5Å; H432-R436 WeakPolarHBondContact O-CB 3.29Å; H432-R436 PolarHBondContact O-N 3.36Å
433E94.5Very high94.5Very high94 Ų9467.6 Ų67.644%0.43931%0.311SS..Hα-helixtrans-61.7-44.9175.2-71169179.600111.3K429 R430 R436 M437K429-E433 WeakPolarHBondContact CE-OE1 3.26Å; K429-E433 WeakPolarHBondContact O-CG 3.45Å; K429-E433 PolarHBondContact O-N 3.32Å; R430-E433 PolarHBondContact O-N 3Å; E433-R436 WeakPolarHBondContact O-CB 3.5Å; E433-R436 PolarHBondContact O-N 3.29Å; E433-M437 WeakPolarHBondContact O-CG 3.36Å; E433-M437 PolarHBondContact O-N 2.88Å
434E93.6Very high94.1Very high24 Ų2471.3 Ų71.311%0.11233%0.328CS..Hα-helixtrans-61.5-47.4175.3-73.4178173.300112.4R319 R430 L431 R436 M437 L438R319-E434 IonicContact CZ-OE2 3.03Å; R319-E434 VanDerWaalsContact CZ-OE2 3.29Å; R319-E434 IonicContact NE-OE1 2.75Å; R319-E434 IonicContact NE-OE2 2.57Å; R319-E434 PolarHBondContact NE-OE2 2.98Å; R319-E434 VanDerWaalsContact NH2-CD 3.29Å; R319-E434 IonicContact NH2-OE1 3.88Å; R319-E434 PolarHBondContact NH2-OE1 3.28Å; R319-E434 IonicContact NH2-OE2 3.38Å; R319-E434 PolarHBondContact NH2-OE2 3.06Å; R430-E434 IonicContact CZ-OE1 3.34Å; R430-E434 IonicContact NE-OE1 3.4Å; R430-E434 PolarHBondContact NE-OE1 3.27Å; R430-E434 IonicContact NH2-OE1 3.02Å; R430-E434 PolarHBondContact NH2-OE1 3.29Å; R430-E434 WeakPolarHBondContact O-CG 3.09Å; R430-E434 PolarHBondContact O-N 3.39Å; L431-E434 PolarHBondContact O-N 3.36Å; E434-R436 VanDerWaalsContact C-N 3.27Å; E434-R436 PolarHBondContact O-N 3.01Å; E434-M437 HydrophobicContact CG-CE 4.12Å; E434-M437 PolarHBondContact O-N 3.41Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 VanDerWaalsContact O-CG 3.32Å; E434-L438 WeakPolarHBondContact O-CG 3.42Å; E434-L438 PolarHBondContact O-N 2.7Å
435Q95.8Very high93.6Very high7 Ų772.1 Ų72.13%0.03334%0.337CS..Hα-helixtrans-58.9-39.7175.9-78.9174.5-4.900112F322 T323 L325 I328 L431 H432 H439F322-Q435 PolarHBondContact O-NE2 3.47Å; T323-Q435 WeakPolarHBondContact O-CG 3.36Å; L325-Q435 PolarHBondContact O-NE2 2.81Å; L325-Q435 VanDerWaalsContact O-NE2 3.16Å; I328-Q435 PolarHBondContact O-NE2 3.28Å; L431-Q435 HydrophobicContact CD1-CG 4.15Å; L431-Q435 WeakPolarHBondContact O-CB 3.33Å; L431-Q435 WeakPolarHBondContact O-CG 3.41Å; L431-Q435 PolarHBondContact O-N 2.92Å; H432-Q435 PolarHBondContact O-N 3.5Å; Q435-H439 VanDerWaalsContact O-CB 3.32Å; Q435-H439 WeakPolarHBondContact O-CB 3.49Å; Q435-H439 PolarHBondContact O-N 3.02Å
436R94.8Very high93.2Very high171 Ų17178.8 Ų78.865%0.64535%0.351SS*.Hα-helixtrans-63.9-47.9176.1179.6-179.6166.2177.8-3.7111H432 E433 E434 H439 Q440H432-R436 WeakPolarHBondContact O-CB 3.29Å; H432-R436 PolarHBondContact O-N 3.36Å; E433-R436 WeakPolarHBondContact O-CB 3.5Å; E433-R436 PolarHBondContact O-N 3.29Å; E434-R436 VanDerWaalsContact C-N 3.27Å; E434-R436 PolarHBondContact O-N 3.01Å; R436-H439 PolarHBondContact O-N 2.88Å; R436-Q440 WeakPolarHBondContact O-CB 3.49Å; R436-Q440 PolarHBondContact O-N 3.15Å
437M92.8Very high92.5Very high105 Ų10579.5 Ų79.552%0.51736%0.36SS..Hα-helixtrans-60.2-48.8177.4-72-171.6-68.900111.8E433 E434 H439 Q440 H441E433-M437 WeakPolarHBondContact O-CG 3.36Å; E433-M437 PolarHBondContact O-N 2.88Å; E434-M437 HydrophobicContact CG-CE 4.12Å; E434-M437 PolarHBondContact O-N 3.41Å; M437-H439 VanDerWaalsContact C-N 3.32Å; M437-H439 PolarHBondContact O-N 3.35Å; M437-Q440 PolarHBondContact O-N 2.93Å; M437-H441 WeakPolarHBondContact O-CB 3.43Å; M437-H441 PolarHBondContact O-N 3.11Å
438L93.2Very high91.9Very high25 Ų2585.3 Ų85.313%0.13139%0.386CS..Hα-helixtrans-59.1-42.8178.3-73.3170.4000112.1V45 T323 E434 R442V45-L438 HydrophobicContact CB-CD2 4.29Å; V45-L438 HydrophobicContact CG1-CD2 3.47Å; V45-L438 VanDerWaalsContact CG1-CD2 3.47Å; V45-L438 HydrophobicContact CG2-CD2 3.83Å; V45-L438 HydrophobicContact CG2-CG 4.49Å; T323-L438 WeakPolarHBondContact O-CD1 3.49Å; E434-L438 WeakPolarHBondContact O-CB 3.37Å; E434-L438 VanDerWaalsContact O-CG 3.32Å; E434-L438 WeakPolarHBondContact O-CG 3.42Å; E434-L438 PolarHBondContact O-N 2.7Å; L438-R442 WeakPolarHBondContact O-CB 3.38Å; L438-R442 VanDerWaalsContact O-CG 3.32Å; L438-R442 WeakPolarHBondContact O-CG 3.3Å; L438-R442 PolarHBondContact O-N 3.34Å
439H91.9Very high91Very high61 Ų6187 Ų8728%0.28240%0.403SS..Hα-helixtrans-67.8-42.5178.1-179.688000112.7R326 Q435 R436 M437 H441 R442 R443R326-H439 VanDerWaalsContact CZ-CG 3.4Å; R326-H439 PolarHBondContact NH2-CD2 2.81Å; R326-H439 PolarHBondContact NH2-ND1 3.35Å; R326-H439 PolarHBondContact NH2-NE2 3.48Å; R326-H439 VanDerWaalsContact NH2-NE2 3.18Å; Q435-H439 VanDerWaalsContact O-CB 3.32Å; Q435-H439 WeakPolarHBondContact O-CB 3.49Å; Q435-H439 PolarHBondContact O-N 3.02Å; R436-H439 PolarHBondContact O-N 2.88Å; M437-H439 VanDerWaalsContact C-N 3.32Å; M437-H439 PolarHBondContact O-N 3.35Å; H439-H441 VanDerWaalsContact C-N 3.33Å; H439-R442 PolarHBondContact O-N 3.12Å; H439-R443 WeakPolarHBondContact NE2-CD 3.2Å; H439-R443 WeakPolarHBondContact O-CG 3.48Å; H439-R443 PolarHBondContact O-N 3.49Å
440Q91.8Very high90.1Very high107 Ų10786.4 Ų86.450%0.540%0.402SS..Hα-helixtrans-60.4-46.3175.7-179.3175.2-6.200110.7R436 M437 R443 L444R436-Q440 WeakPolarHBondContact O-CB 3.49Å; R436-Q440 PolarHBondContact O-N 3.15Å; M437-Q440 PolarHBondContact O-N 2.93Å; Q440-R443 PolarHBondContact O-N 3.42Å; Q440-L444 HydrophobicContact CG-CD1 4.15Å; Q440-L444 WeakPolarHBondContact O-CG 3.3Å; Q440-L444 PolarHBondContact O-N 3.39Å
441H91.3Very high88.8Confident70 Ų7091.7 Ų91.732%0.32442%0.423SS..Hα-helixtrans-57-53175.2-179.985000111.4V45 M437 H439 R443 L444 T445V45-H441 HydrophobicContact CB-CB 3.92Å; V45-H441 HydrophobicContact CG1-CB 4.29Å; V45-H441 HydrophobicContact CG2-CB 4.2Å; V45-H441 PolarHBondContact O-ND1 2.91Å; M437-H441 WeakPolarHBondContact O-CB 3.43Å; M437-H441 PolarHBondContact O-N 3.11Å; H439-H441 VanDerWaalsContact C-N 3.33Å; H441-R443 VanDerWaalsContact C-N 3.27Å; H441-R443 PolarHBondContact O-N 2.93Å; H441-L444 WeakPolarHBondContact O-CB 3.12Å; H441-L444 PolarHBondContact O-N 3.24Å; H441-T445 PolarHBondContact NE2-OG1 2.81Å; H441-T445 PolarHBondContact O-N 3.38Å; H441-T445 PolarHBondContact O-OG1 3.04Å
442R90.6Very high87.6Confident104 Ų10493.4 Ų93.439%0.39244%0.441SS..Hα-helixtrans-55.4-40.2177.7-75.6170172.7-168.6-12.7113.1Q324 L438 H439 R446Q324-R442 VanDerWaalsContact CD-NH2 3.28Å; L438-R442 WeakPolarHBondContact O-CB 3.38Å; L438-R442 VanDerWaalsContact O-CG 3.32Å; L438-R442 WeakPolarHBondContact O-CG 3.3Å; L438-R442 PolarHBondContact O-N 3.34Å; H439-R442 PolarHBondContact O-N 3.12Å; R442-R446 WeakPolarHBondContact O-CB 2.93Å; R442-R446 VanDerWaalsContact O-CG 3.25Å; R442-R446 WeakPolarHBondContact O-CG 3.41Å; R442-R446 PolarHBondContact O-N 3.06Å
443R89.3Confident86.6Confident168 Ų16889.4 Ų89.463%0.63443%0.426SS*.Hα-helixtrans-63.7-45.7175.8-78.3179.360.4-1652.2111.5H439 Q440 H441 R446 A447H439-R443 WeakPolarHBondContact NE2-CD 3.2Å; H439-R443 WeakPolarHBondContact O-CG 3.48Å; H439-R443 PolarHBondContact O-N 3.49Å; Q440-R443 PolarHBondContact O-N 3.42Å; H441-R443 VanDerWaalsContact C-N 3.27Å; H441-R443 PolarHBondContact O-N 2.93Å; R443-R446 PolarHBondContact O-N 3.07Å; R443-A447 WeakPolarHBondContact O-CB 3.49Å; R443-A447 PolarHBondContact O-N 3.2Å
444L88.4Confident85.5Confident93 Ų9390.2 Ų90.249%0.48743%0.43SS..Hα-helixtrans-63.7-47177.6-70.4170.4000111.4Q440 H441 R446 A447 Q448Q440-L444 HydrophobicContact CG-CD1 4.15Å; Q440-L444 WeakPolarHBondContact O-CG 3.3Å; Q440-L444 PolarHBondContact O-N 3.39Å; H441-L444 WeakPolarHBondContact O-CB 3.12Å; H441-L444 PolarHBondContact O-N 3.24Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-R446 PolarHBondContact O-N 2.74Å; L444-A447 PolarHBondContact O-N 2.79Å; L444-Q448 WeakPolarHBondContact O-CB 3.49Å; L444-Q448 VanDerWaalsContact O-CG 3.32Å; L444-Q448 WeakPolarHBondContact O-CG 3.31Å; L444-Q448 PolarHBondContact O-N 3.13Å
445T86.4Confident84.5Confident61 Ų6196.7 Ų96.737%0.37446%0.46SS..Hα-helixtrans-59.8-43.8177.3-47.80000111.6H441 Q448 S449H441-T445 PolarHBondContact NE2-OG1 2.81Å; H441-T445 PolarHBondContact O-N 3.38Å; H441-T445 PolarHBondContact O-OG1 3.04Å; T445-Q448 PolarHBondContact O-N 2.84Å; T445-S449 WeakPolarHBondContact O-CB 3.26Å; T445-S449 PolarHBondContact O-N 3.33Å; T445-S449 PolarHBondContact O-OG 3.24Å
446R87.3Confident83.5Confident177 Ų17797.9 Ų97.967%0.66847%0.465SS*.Hα-helixtrans-62.7-45.7175.1-74.5175.8-172.9-179.30.9111.5R442 R443 L444 Q448 S449 H450R442-R446 WeakPolarHBondContact O-CB 2.93Å; R442-R446 VanDerWaalsContact O-CG 3.25Å; R442-R446 WeakPolarHBondContact O-CG 3.41Å; R442-R446 PolarHBondContact O-N 3.06Å; R443-R446 PolarHBondContact O-N 3.07Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-R446 PolarHBondContact O-N 2.74Å; R446-Q448 VanDerWaalsContact C-N 3.35Å; R446-Q448 PolarHBondContact O-N 3.26Å; R446-S449 WeakPolarHBondContact CA-OG 3.37Å; R446-S449 PolarHBondContact O-N 2.9Å; R446-S449 PolarHBondContact O-OG 2.79Å; R446-H450 WeakPolarHBondContact O-CB 3.29Å; R446-H450 PolarHBondContact O-N 2.96Å
447A83.5Confident82.5Confident58 Ų5894 Ų9448%0.47945%0.453SS..Hα-helixtrans-61.4-42.3177.200000112.1R443 L444 H450 Y451R443-A447 WeakPolarHBondContact O-CB 3.49Å; R443-A447 PolarHBondContact O-N 3.2Å; L444-A447 PolarHBondContact O-N 2.79Å; A447-H450 PolarHBondContact O-N 2.81Å; A447-Y451 VanDerWaalsContact O-CB 3.26Å; A447-Y451 WeakPolarHBondContact O-CB 3.47Å; A447-Y451 PolarHBondContact O-N 3.4Å
448Q81.9Confident81.7Confident135 Ų13595.2 Ų95.263%0.63146%0.456SS*.Hα-helixtrans-63.5-44.5175-74.1172.7-15.600111.7L444 T445 R446 H450 Y451 G452L444-Q448 WeakPolarHBondContact O-CB 3.49Å; L444-Q448 VanDerWaalsContact O-CG 3.32Å; L444-Q448 WeakPolarHBondContact O-CG 3.31Å; L444-Q448 PolarHBondContact O-N 3.13Å; T445-Q448 PolarHBondContact O-N 2.84Å; R446-Q448 VanDerWaalsContact C-N 3.35Å; R446-Q448 PolarHBondContact O-N 3.26Å; Q448-H450 VanDerWaalsContact C-N 3.34Å; Q448-H450 PolarHBondContact O-N 2.94Å; Q448-Y451 PolarHBondContact O-N 3.46Å; Q448-G452 PolarHBondContact O-N 3.31Å
449S80.1Confident81.2Confident79 Ų79101.3 Ų101.355%0.55248%0.477SS*.Hα-helixtrans-62.9-40176.9710000112.4T445 R446 G452 S453T445-S449 WeakPolarHBondContact O-CB 3.26Å; T445-S449 PolarHBondContact O-N 3.33Å; T445-S449 PolarHBondContact O-OG 3.24Å; R446-S449 WeakPolarHBondContact CA-OG 3.37Å; R446-S449 PolarHBondContact O-N 2.9Å; R446-S449 PolarHBondContact O-OG 2.79Å; S449-G452 CarbonylContact O-C 3.54Å; S449-G452 PolarHBondContact O-N 3.21Å; S449-S453 PolarHBondContact O-N 3.34Å; S449-S453 VanDerWaalsContact O-N 3.07Å
450H76.9Confident80.7Confident120 Ų120101.8 Ų101.856%0.55648%0.476SS*.Hα-helixtrans-68.7-42.9175.1-174.8-76.9000111.4R446 A447 Q448 G452 S453 E456R446-H450 WeakPolarHBondContact O-CB 3.29Å; R446-H450 PolarHBondContact O-N 2.96Å; A447-H450 PolarHBondContact O-N 2.81Å; Q448-H450 VanDerWaalsContact C-N 3.34Å; Q448-H450 PolarHBondContact O-N 2.94Å; H450-G452 VanDerWaalsContact C-N 3.27Å; H450-G452 PolarHBondContact O-N 2.9Å; H450-S453 WeakPolarHBondContact O-CB 3.39Å; H450-S453 PolarHBondContact O-N 2.71Å; H450-S453 PolarHBondContact O-OG 3.49Å; H450-E456 VanDerWaalsContact O-CB 3.31Å; H450-E456 WeakPolarHBondContact O-CB 3.46Å
451Y69.1Low80.3Confident151 Ų151103.3 Ų103.359%0.59248%0.481SS*.Hα-helixtrans-62.3-35.2175.8-173.4-80000112.1A447 Q448 R460A447-Y451 VanDerWaalsContact O-CB 3.26Å; A447-Y451 WeakPolarHBondContact O-CB 3.47Å; A447-Y451 PolarHBondContact O-N 3.4Å; Q448-Y451 PolarHBondContact O-N 3.46Å; Y451-R460 VanDerWaalsContact CD1-NH1 3.3Å; Y451-R460 VanDerWaalsContact CD2-CZ 3.48Å; Y451-R460 VanDerWaalsContact CG-NH2 3.28Å; Y451-R460 VanDerWaalsContact CZ-CZ 3.49Å; Y451-R460 PolarHBondContact O-NH1 3Å; Y451-R460 PolarHBondContact OH-NH1 3.42Å
452G69.1Low79.8Confident36 Ų36104.3 Ų104.337%0.37149%0.488SS..THydrogen-bonded Turntrans-86-2178.100000114.8Q448 S449 H450 K457Q448-G452 PolarHBondContact O-N 3.31Å; S449-G452 CarbonylContact O-C 3.54Å; S449-G452 PolarHBondContact O-N 3.21Å; H450-G452 VanDerWaalsContact C-N 3.27Å; H450-G452 PolarHBondContact O-N 2.9Å; G452-K457 WeakPolarHBondContact O-CE 3.37Å; G452-K457 PolarHBondContact O-NZ 3.06Å
453S76.8Confident79.5Confident32 Ų32103.9 Ų103.922%0.22449%0.493CS..SBendtrans-67.9146-179.393.80000111.2S449 H450 E455 E456 K457S449-S453 PolarHBondContact O-N 3.34Å; S449-S453 VanDerWaalsContact O-N 3.07Å; H450-S453 WeakPolarHBondContact O-CB 3.39Å; H450-S453 PolarHBondContact O-N 2.71Å; H450-S453 PolarHBondContact O-OG 3.49Å; S453-E455 PolarHBondContact O-N 2.91Å; S453-E456 PolarHBondContact O-N 2.77Å; S453-E456 PolarHBondContact OG-N 3.24Å; S453-E456 VanDerWaalsContact OG-N 3.17Å; S453-K457 WeakPolarHBondContact O-CG 3.42Å; S453-K457 PolarHBondContact O-N 3.37Å
454E70.5Confident79.1Confident111 Ų11198.8 Ų98.852%0.51949%0.487SS..Hα-helixtrans-61.5-31.6178.9-75.5-59.6119.700112.4K457 K458E454-K457 WeakPolarHBondContact OE1-CD 3.17Å; E454-K457 IonicContact OE1-NZ 3.74Å; E454-K457 PolarHBondContact OE1-NZ 3.3Å; E454-K458 VanDerWaalsContact O-CB 3.3Å; E454-K458 WeakPolarHBondContact O-CB 3.4Å; E454-K458 WeakPolarHBondContact O-CG 3.44Å; E454-K458 PolarHBondContact O-N 3.47Å
455E73.4Confident78.8Confident160 Ų160102.9 Ų102.975%0.74850%0.496SS*.Hα-helixtrans-66-45.5176.1-69.5173165.300111.8S453 K458 R459S453-E455 PolarHBondContact O-N 2.91Å; E455-K458 PolarHBondContact O-N 3.48Å; E455-R459 WeakPolarHBondContact O-CB 3.27Å; E455-R459 PolarHBondContact O-N 3.24Å
456E73.9Confident78.6Confident31 Ų31106.5 Ų106.515%0.14551%0.506CS..Hα-helixtrans-71.9-37179.1-179.358.1-158.400111.3H450 S453 R459 R460H450-E456 VanDerWaalsContact O-CB 3.31Å; H450-E456 WeakPolarHBondContact O-CB 3.46Å; S453-E456 PolarHBondContact O-N 2.77Å; S453-E456 PolarHBondContact OG-N 3.24Å; S453-E456 VanDerWaalsContact OG-N 3.17Å; E456-R459 PolarHBondContact O-N 3.13Å; E456-R459 IonicContact OE2-NH1 2.75Å; E456-R460 WeakPolarHBondContact O-CG 3.46Å; E456-R460 PolarHBondContact O-N 3.3Å; E456-R460 IonicContact OE1-CZ 2.59Å; E456-R460 IonicContact OE1-NE 3.98Å; E456-R460 PolarHBondContact OE1-NE 3.08Å; E456-R460 IonicContact OE1-NH2 3.13Å; E456-R460 PolarHBondContact OE1-NH2 3.4Å
457K73.6Confident78.3Confident89 Ų89105.7 Ų105.739%0.38751%0.508SS..Hα-helixtrans-60.1-44.3169.5-72.2178.8-166.4160.60111.8G452 S453 E454 R460 K461G452-K457 WeakPolarHBondContact O-CE 3.37Å; G452-K457 PolarHBondContact O-NZ 3.06Å; S453-K457 WeakPolarHBondContact O-CG 3.42Å; S453-K457 PolarHBondContact O-N 3.37Å; E454-K457 WeakPolarHBondContact OE1-CD 3.17Å; E454-K457 IonicContact OE1-NZ 3.74Å; E454-K457 PolarHBondContact OE1-NZ 3.3Å; K457-R460 PolarHBondContact O-N 2.65Å; K457-K461 WeakPolarHBondContact O-CG 3.09Å; K457-K461 PolarHBondContact O-N 3.15Å
458K77.6Confident77.7Confident131 Ų131106.6 Ų106.657%0.5751%0.51SS*.Hα-helixtrans-63.2-45.3175.3-78172.7-176.5178.70111.2E454 E455 R460 K461 I462E454-K458 VanDerWaalsContact O-CB 3.3Å; E454-K458 WeakPolarHBondContact O-CB 3.4Å; E454-K458 WeakPolarHBondContact O-CG 3.44Å; E454-K458 PolarHBondContact O-N 3.47Å; E455-K458 PolarHBondContact O-N 3.48Å; K458-R460 VanDerWaalsContact C-N 3.32Å; K458-R460 PolarHBondContact O-N 2.98Å; K458-K461 PolarHBondContact O-N 3.36Å; K458-I462 WeakPolarHBondContact O-CG1 3.17Å; K458-I462 PolarHBondContact O-N 2.85Å
459R82.6Confident77.3Confident154 Ų154109.5 Ų109.558%0.58152%0.515SS*.Hα-helixtrans-57.1-43.4176.4-171.7-176.3179-172.82.3111.9E455 E456 I462 L463E455-R459 WeakPolarHBondContact O-CB 3.27Å; E455-R459 PolarHBondContact O-N 3.24Å; E456-R459 PolarHBondContact O-N 3.13Å; E456-R459 IonicContact OE2-NH1 2.75Å; R459-I462 PolarHBondContact O-N 3.03Å; R459-L463 HydrophobicContact CG-CD1 4.06Å; R459-L463 WeakPolarHBondContact O-CG 3.39Å; R459-L463 PolarHBondContact O-N 3.41Å
460R81.8Confident76.5Confident71 Ų71111.7 Ų111.727%0.26852%0.516SS..Hα-helixtrans-67-41.5176-72.2178.9-1621547.4113.4Y451 E456 K457 K458 I462 L463 A464Y451-R460 VanDerWaalsContact CD1-NH1 3.3Å; Y451-R460 VanDerWaalsContact CD2-CZ 3.48Å; Y451-R460 VanDerWaalsContact CG-NH2 3.28Å; Y451-R460 VanDerWaalsContact CZ-CZ 3.49Å; Y451-R460 PolarHBondContact O-NH1 3Å; Y451-R460 PolarHBondContact OH-NH1 3.42Å; E456-R460 WeakPolarHBondContact O-CG 3.46Å; E456-R460 PolarHBondContact O-N 3.3Å; E456-R460 IonicContact OE1-CZ 2.59Å; E456-R460 IonicContact OE1-NE 3.98Å; E456-R460 PolarHBondContact OE1-NE 3.08Å; E456-R460 IonicContact OE1-NH2 3.13Å; E456-R460 PolarHBondContact OE1-NH2 3.4Å; K457-R460 PolarHBondContact O-N 2.65Å; K458-R460 VanDerWaalsContact C-N 3.32Å; K458-R460 PolarHBondContact O-N 2.98Å; R460-I462 PolarHBondContact O-N 3.46Å; R460-L463 PolarHBondContact O-N 3.34Å; R460-A464 VanDerWaalsContact O-CB 3.27Å; R460-A464 WeakPolarHBondContact O-CB 3.46Å; R460-A464 PolarHBondContact O-N 2.88Å
461K82.2Confident75.7Confident138 Ų138108.3 Ų108.360%0.651%0.506SS*.Hα-helixtrans-58.4-39.4173.2-74.9178.1179.5179.50111.1K457 K458 R465K457-K461 WeakPolarHBondContact O-CG 3.09Å; K457-K461 PolarHBondContact O-N 3.15Å; K458-K461 PolarHBondContact O-N 3.36Å; K461-R465 WeakPolarHBondContact O-CB 3Å; K461-R465 VanDerWaalsContact O-CG 3.24Å; K461-R465 WeakPolarHBondContact O-CG 3.44Å; K461-R465 PolarHBondContact O-N 3.4Å
462I81.5Confident75.1Confident91 Ų91104.5 Ų104.547%0.46750%0.499SS..Hα-helixtrans-68.1-46.9176.3-66.2164.7000111.3K458 R459 R460 A464 R465 K466K458-I462 WeakPolarHBondContact O-CG1 3.17Å; K458-I462 PolarHBondContact O-N 2.85Å; R459-I462 PolarHBondContact O-N 3.03Å; R460-I462 PolarHBondContact O-N 3.46Å; I462-A464 PolarHBondContact O-N 2.9Å; I462-R465 PolarHBondContact O-N 3.44Å; I462-K466 PolarHBondContact O-N 3.48Å
463L83.3Confident74.5Confident96 Ų96106.5 Ų106.550%0.50351%0.506SS..Hα-helixtrans-62.7-41.2177.8-79.2161.7000112.3R459 R460 K466 K467R459-L463 HydrophobicContact CG-CD1 4.06Å; R459-L463 WeakPolarHBondContact O-CG 3.39Å; R459-L463 PolarHBondContact O-N 3.41Å; R460-L463 PolarHBondContact O-N 3.34Å; L463-K466 PolarHBondContact O-N 2.87Å; L463-K467 WeakPolarHBondContact O-CB 3.47Å; L463-K467 PolarHBondContact O-N 2.87Å
464A82.1Confident73.4Confident61 Ų61110.5 Ų110.550%0.50452%0.522SS..Hα-helixtrans-63.7-41.6175.200000111.8R460 I462 K467 C468R460-A464 VanDerWaalsContact O-CB 3.27Å; R460-A464 WeakPolarHBondContact O-CB 3.46Å; R460-A464 PolarHBondContact O-N 2.88Å; I462-A464 PolarHBondContact O-N 2.9Å; A464-K467 PolarHBondContact O-N 2.75Å; A464-C468 VanDerWaalsContact O-CB 3.29Å; A464-C468 WeakPolarHBondContact O-CB 3.21Å; A464-C468 PolarHBondContact O-N 2.95Å
465R81.8Confident72.4Confident179 Ų179110.3 Ų110.368%0.67552%0.524SS*.Hα-helixtrans-63.7-40173.7-76173177.6-178.6-1.9112.3K461 I462 R469K461-R465 WeakPolarHBondContact O-CB 3Å; K461-R465 VanDerWaalsContact O-CG 3.24Å; K461-R465 WeakPolarHBondContact O-CG 3.44Å; K461-R465 PolarHBondContact O-N 3.4Å; I462-R465 PolarHBondContact O-N 3.44Å; R465-R469 WeakPolarHBondContact O-CG 3.31Å; R465-R469 PolarHBondContact O-N 2.85Å
466K81.3Confident71.3Confident137 Ų137109.1 Ų109.160%0.59652%0.518SS*.Hα-helixtrans-65.6-44.9175.3-76.2-173.4175.4-171.30111.8I462 L463 C468 R469 Q470I462-K466 PolarHBondContact O-N 3.48Å; L463-K466 PolarHBondContact O-N 2.87Å; K466-C468 VanDerWaalsContact C-N 3.34Å; K466-C468 PolarHBondContact O-N 2.87Å; K466-R469 PolarHBondContact O-N 2.92Å; K466-Q470 WeakPolarHBondContact O-CB 3.34Å; K466-Q470 PolarHBondContact O-N 2.83Å
467K82.4Confident70.1Confident159 Ų159114.2 Ų114.269%0.69154%0.542SS*.Hα-helixtrans-63.2-39.8177.5-165.5175.1-177.1-179.20112.1L463 A464 Q470 S471L463-K467 WeakPolarHBondContact O-CB 3.47Å; L463-K467 PolarHBondContact O-N 2.87Å; A464-K467 PolarHBondContact O-N 2.75Å; K467-Q470 PolarHBondContact O-N 2.85Å; K467-S471 PolarHBondContact O-N 2.81Å; K467-S471 PolarHBondContact O-OG 3.01Å
468C70.3Confident68.8Low78 Ų78115.5 Ų115.553%0.52755%0.553SS.*Hα-helixtrans-65.4-40.7174.5-177.80000112.2A464 K466 Q470 S471 T472A464-C468 VanDerWaalsContact O-CB 3.29Å; A464-C468 WeakPolarHBondContact O-CB 3.21Å; A464-C468 PolarHBondContact O-N 2.95Å; K466-C468 VanDerWaalsContact C-N 3.34Å; K466-C468 PolarHBondContact O-N 2.87Å; C468-Q470 VanDerWaalsContact C-N 3.34Å; C468-S471 WeakPolarHBondContact CA-OG 3.5Å; C468-S471 PolarHBondContact O-N 3.1Å; C468-S471 PolarHBondContact O-OG 2.86Å; C468-T472 PolarHBondContact O-N 3.31Å; C468-T472 PolarHBondContact O-OG1 3.17Å
469R72.4Confident67.4Low195 Ų195114.5 Ų114.574%0.73656%0.558SS**Hα-helixtrans-64-39.7173.8-75.3177.9179-165.2-2.7112.3R465 K466 T472 C473R465-R469 WeakPolarHBondContact O-CG 3.31Å; R465-R469 PolarHBondContact O-N 2.85Å; K466-R469 PolarHBondContact O-N 2.92Å; R469-T472 WeakPolarHBondContact O-CB 3.4Å; R469-T472 PolarHBondContact O-N 3.08Å; R469-T472 VanDerWaalsContact O-N 3.15Å; R469-C473 PolarHBondContact O-N 2.72Å; R469-C473 VanDerWaalsContact O-N 3.08Å
470Q64.1Low65.6Low125 Ų125111.5 Ų111.558%0.58456%0.56SS**Hα-helixtrans-66.7-42178.5-158.2164.16.100111.8K466 K467 C468 T472 C473 E474K466-Q470 WeakPolarHBondContact O-CB 3.34Å; K466-Q470 PolarHBondContact O-N 2.83Å; K467-Q470 PolarHBondContact O-N 2.85Å; C468-Q470 VanDerWaalsContact C-N 3.34Å; Q470-T472 PolarHBondContact O-N 3.21Å; Q470-C473 PolarHBondContact O-N 3.2Å; Q470-E474 WeakPolarHBondContact O-CG 3.48Å; Q470-E474 PolarHBondContact O-N 2.87Å
471S59.7Low63.9Low49 Ų49113.4 Ų113.434%0.34358%0.58SS.*Hα-helixtrans-68-19.317260.50000113.9K467 C468 N475K467-S471 PolarHBondContact O-N 2.81Å; K467-S471 PolarHBondContact O-OG 3.01Å; C468-S471 WeakPolarHBondContact CA-OG 3.5Å; C468-S471 PolarHBondContact O-N 3.1Å; C468-S471 PolarHBondContact O-OG 2.86Å; S471-N475 WeakPolarHBondContact O-CB 3.44Å; S471-N475 PolarHBondContact O-N 3.14Å; S471-N475 PolarHBondContact O-ND2 2.69Å; S471-N475 VanDerWaalsContact O-ND2 3.14Å
472T57.1Low62Low71 Ų71117.3 Ų117.344%0.43659%0.591SS.*Hα-helixtrans-79.6-39.8174.7-43.60000110.5C468 R469 Q470 N475 E476C468-T472 PolarHBondContact O-N 3.31Å; C468-T472 PolarHBondContact O-OG1 3.17Å; R469-T472 WeakPolarHBondContact O-CB 3.4Å; R469-T472 PolarHBondContact O-N 3.08Å; R469-T472 VanDerWaalsContact O-N 3.15Å; Q470-T472 PolarHBondContact O-N 3.21Å; T472-N475 PolarHBondContact O-N 3.45Å; T472-E476 WeakPolarHBondContact O-CG 3.45Å; T472-E476 PolarHBondContact O-N 2.99Å; T472-E476 VanDerWaalsContact O-N 3.08Å
473C55.8Low60Low79 Ų79120.3 Ų120.353%0.53461%0.608SS.*Hα-helixtrans-65-42.4171.3-94.10000112.9R469 Q470 N475 E476 E477R469-C473 PolarHBondContact O-N 2.72Å; R469-C473 VanDerWaalsContact O-N 3.08Å; Q470-C473 PolarHBondContact O-N 3.2Å; C473-N475 VanDerWaalsContact C-N 3.29Å; C473-N475 PolarHBondContact O-N 3.3Å; C473-E476 PolarHBondContact O-N 3.42Å; C473-E476 VanDerWaalsContact O-N 3.13Å; C473-E477 PolarHBondContact O-N 3.45Å
474E53.7Low58.2Low116 Ų116122.4 Ų122.454%0.54262%0.619SS.*Hα-helixtrans-63.8-35.3177.6-73.3171.8174.200111.7Q470 D478Q470-E474 WeakPolarHBondContact O-CG 3.48Å; Q470-E474 PolarHBondContact O-N 2.87Å; E474-D478 PolarHBondContact O-N 3.4Å; E474-D478 VanDerWaalsContact O-N 3.17Å
475N50.9Low56Low107 Ų107126.9 Ų126.957%0.57264%0.635SS**Hα-helixtrans-72.5-27.9173-80.1-28000113.3S471 T472 C473 V479S471-N475 WeakPolarHBondContact O-CB 3.44Å; S471-N475 PolarHBondContact O-N 3.14Å; S471-N475 PolarHBondContact O-ND2 2.69Å; S471-N475 VanDerWaalsContact O-ND2 3.14Å; T472-N475 PolarHBondContact O-N 3.45Å; C473-N475 VanDerWaalsContact C-N 3.29Å; C473-N475 PolarHBondContact O-N 3.3Å; N475-V479 WeakPolarHBondContact O-CG2 3.49Å; N475-V479 PolarHBondContact O-N 3.37Å
476E49.8Very low53.8Low134 Ų134125.9 Ų125.963%0.62664%0.643SS**Hα-helixtrans-74.6-33.7174.3-77.6-176.8164.400112.1T472 C473 S480T472-E476 WeakPolarHBondContact O-CG 3.45Å; T472-E476 PolarHBondContact O-N 2.99Å; T472-E476 VanDerWaalsContact O-N 3.08Å; C473-E476 PolarHBondContact O-N 3.42Å; C473-E476 VanDerWaalsContact O-N 3.13Å; E476-S480 PolarHBondContact O-N 2.98Å
477E48Very low51.8Low139 Ų139125 Ų12565%0.6565%0.654SS**Hα-helixtrans-68-40.2172-73.9-173162.700111.7C473 V479 S480 V481C473-E477 PolarHBondContact O-N 3.45Å; E477-V479 VanDerWaalsContact C-N 3.34Å; E477-V479 PolarHBondContact O-N 3.05Å; E477-S480 PolarHBondContact O-N 3.03Å; E477-S480 PolarHBondContact O-OG 3.17Å; E477-V481 PolarHBondContact O-N 2.99Å
478D47.2Very low49.4Very low115 Ų115121.3 Ų121.362%0.61566%0.661SS**Hα-helixtrans-69.2-26.9177-108.9-17.2000113.7E474E474-D478 PolarHBondContact O-N 3.4Å; E474-D478 VanDerWaalsContact O-N 3.17Å
479V48.5Very low47.8Very low111 Ų111124.1 Ų124.167%0.67368%0.682SS**Hα-helixtrans-75.1-28.7173.7172.20000111.5N475 E477N475-V479 WeakPolarHBondContact O-CG2 3.49Å; N475-V479 PolarHBondContact O-N 3.37Å; E477-V479 VanDerWaalsContact C-N 3.34Å; E477-V479 PolarHBondContact O-N 3.05Å
480S43.7Very low45.9Very low90 Ų90118.6 Ų118.663%0.62969%0.686SS**Hα-helixtrans-74.2-23.1177.775.90000114E476 E477E476-S480 PolarHBondContact O-N 2.98Å; E477-S480 PolarHBondContact O-N 3.03Å; E477-S480 PolarHBondContact O-OG 3.17Å
481V46.3Very low44.5Very low111 Ų111117.3 Ų117.367%0.67370%0.696SS**Hα-helixtrans-88-14.2179.2-178.60000112.5E477E477-V481 PolarHBondContact O-N 2.99Å
482R42.8Very low43.3Very low220 Ų220120.8 Ų120.883%0.8372%0.721SS**THydrogen-bonded Turntrans-90.82.6-173-133.5174.3-175.6177.91.6116.1
483N40Very low42.6Very low154 Ų154123 Ų12382%0.82474%0.739SS**THydrogen-bonded Turntrans-92.610.8179.7-113.121.2000115.2
484N43.7Very low41.9Very low140 Ų140125 Ų12575%0.74975%0.751SS**SBendtrans-134.882.8173.1-12214.8000110.4
485N36.6Very low41.3Very low155 Ų155125.5 Ų125.583%0.82976%0.764SS**  170.7115.9129.2-86.9-19.7000110.7
486N36.3Very low40.7Very low159 Ų159127 Ų12785%0.8578%0.778SS**  trans-76.9127.1165.5-159.822000108.4
487S38.3Very low40Very low118 Ų118126.4 Ų126.483%0.82579%0.787SS**  trans154.7131.8144-70.60000112.4
488G32.3Very low39.7Very low82 Ų82126 Ų12685%0.84580%0.796SS**  trans114.5107.2146.700000117.3
489S36.3Very low39.1Very low136 Ų136126.3 Ų126.395%0.95181%0.807SS**  trans-54.9153.1176.7-49.50000116.6
490G32Very low38.7Very low80 Ų80126.3 Ų126.383%0.82581%0.813SS**  trans175.2119.5161.700000112.8
491A36.3Very low38.8Very low97 Ų97128.2 Ų128.280%0.80282%0.823SS**  trans-78.7168.2-165.300000116.3
492S34.2Very low38.7Very low123 Ų123129.2 Ų129.286%0.8683%0.829SS**  trans111141.8143.271.40000120.1
493S41.4Very low38.7Very low116 Ų116124.1 Ų124.181%0.81183%0.825SS**  trans-80.3172.5-155.2-48.60000116.2
494P41.5Very low39.2Very low121 Ų121122.6 Ų122.679%0.78682%0.823SS**  trans-99158.8-164.137.5-31.1000114
495P41.3Very low39Very low127 Ų127121.7 Ų121.783%0.82583%0.825SS**  trans-107.3141.3158.632.3-21000113.1
496T37.8Very low38.9Very low140 Ų140119.3 Ų119.386%0.85983%0.826SS**PPolyproline II helixtrans-71.8157.1176.3390000114
497C36.7Very low39Very low120 Ų120118.2 Ų118.281%0.81183%0.826SS**PPolyproline II helixtrans-55.8153.8177.8-56.20000115
498P40.3Very low38.7Very low131 Ų131122 Ų12285%0.85183%0.83SS**PPolyproline II helixtrans-88.6138.7175.433.2-29.9000113
499S35.3Very low38.8Very low121 Ų121127.3 Ų127.385%0.84683%0.833SS**PPolyproline II helixtrans-93.6154.7171-61.60000111.8
500S40.2Very low38.6Very low112 Ų112125.2 Ų125.278%0.78382%0.824SS**PPolyproline II helixtrans-56.8157.3-178.2-35.20000115.6
501P44.9Very low39.5Very low130 Ų130126.5 Ų126.584%0.84482%0.817SS**PPolyproline II helixtrans-87.5143-176.533.2-31.7000114.5
502T44.9Very low39.5Very low132 Ų132135.6 Ų135.681%0.8184%0.84SS**PPolyproline II helixtrans-89.4148.5172.7-420000110.5
503P43.1Very low39.7Very low113 Ų113136.3 Ų136.373%0.73484%0.839SS**PPolyproline II helixtrans-81.8157.3-177.424.2-18.5000113.6
504P49.3Very low39.6Very low121 Ų121137.3 Ų137.379%0.78684%0.84SS**PPolyproline II helixtrans-82.5157.8-174.932.4-33.2000113.7
505P39.1Very low39.5Very low122 Ų122138.2 Ų138.279%0.79284%0.843SS**PPolyproline II helixtrans-86.1156.2-177.434.7-32.1000113
506A36Very low39.4Very low104 Ų104138.9 Ų138.986%0.8684%0.844SS**PPolyproline II helixtrans-68.6141.2175.900000112.2
507T37.7Very low39.5Very low137 Ų137138.8 Ų138.884%0.8484%0.843SS**  trans-113.9126.41686.20000110.1
508E31.9Very low39.7Very low197 Ų197140.1 Ų140.192%0.92185%0.845SS**  trans-61.7143.9172-67.1170137.900111.6
509H34.7Very low39.7Very low194 Ų194140.7 Ų140.790%0.89885%0.845SS**  trans-110.7137.9166-97-70.2000110
510A32.5Very low40Very low91 Ų91142.2 Ų142.275%0.75285%0.845SS**  trans-154.4167.3151.900000108.4
511P50.7Low40Very low107 Ų107144.8 Ų144.870%0.69585%0.85SS**  -127.3157.3-61.735.7-22.7000111.2
512F35.3Very low39.6Very low289 Ų289146.1 Ų146.1100%1.26885%0.85SS**  trans-167.80141.1-91-63.2000109.9

Retrieved 512 of 512 residues in 2064.6 ms (Link to these results)

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