A0A060Y028_ONCMY Loading...

T-complex protein 1 subunit alpha

AlphaFold DB , UniProt , Accession A0A060Y028, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene tcp1, Length 558 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low53.9Low240 Ų240135.5 Ų135.5100%1.18276%0.763SS**  093.20-87.8173.7168.700108.7
2S33.3Very low56.2Low118 Ų118125.8 Ų125.883%0.82572%0.716SS**  trans-100.899.2164.6179.50000106.6M4S2-M4 PolarHBondContact O-N 2.88Å
3L47.5Very low58.3Low131 Ų131122 Ų12269%0.68670%0.697SS**  trans-81.986.5168.5-82.5160.4000107.1
4M45.7Very low60.2Low178 Ų178121.5 Ų121.588%0.87768%0.679SS**  trans-149126.2159.9-79-155.3168.800113.5S2S2-M4 PolarHBondContact O-N 2.88Å
5D42.8Very low62Low177 Ų177116.2 Ų116.295%0.94765%0.651SS**  trans89.371.3147.1-119.215.4000120.6
6G49Very low63.5Low49 Ų49113.1 Ų113.151%0.50564%0.635SS.*  trans-159.1134155.400000111.1L8G6-L8 PolarHBondContact O-N 3.22Å
7A59.5Low64.8Low113 Ų113107.8 Ų107.893%0.93461%0.612SS**SBendtrans-62.7-8.6-174.200000115.3
8L63.1Low65.9Low130 Ų130106.9 Ų106.968%0.68160%0.602SS**SBendtrans-138.3111.9171.7-75.6164.1000107.6G6 V10G6-L8 PolarHBondContact O-N 3.22Å; L8-V10 PolarHBondContact O-N 3.29Å
9N64.9Low67.1Low137 Ų137104.1 Ų104.173%0.73359%0.59SS**  trans-75.8104.8174.6-112.2-8.2000108.6
10V70.3Confident68.2Low46 Ų4698.9 Ų98.928%0.27956%0.561SS.*  trans-87.3138166.8-177.20000107.5L8 G12 I534 L536L8-V10 PolarHBondContact O-N 3.29Å; V10-G12 PolarHBondContact O-N 3.34Å; V10-I534 HydrophobicContact CG1-CG2 3.78Å; V10-L536 HydrophobicContact CG1-CD2 3.35Å
11F79Confident69.2Low171 Ų17196.5 Ų96.575%0.7554%0.543SS*.SBendtrans-73.769.8172-155.1-93.9000109.8F537F11-F537 HydrophobicContact CD1-CB 4.12Å; F11-F537 AromaticContact CD1-CD2 3.99Å; F11-F537 HydrophobicContact CD1-CD2 3.99Å; F11-F537 HydrophobicContact CE1-CB 4.3Å; F11-F537 HydrophobicContact CE1-CD2 4.25Å; F11-F537 WeakPolarHBondContact O-CD2 3.03Å; F11-F537 PolarHBondContact O-N 2.69Å
12G81.4Confident71.7Confident19 Ų1987 Ų8720%0.19650%0.5CS..EExtended strand (participates in β ladder)trans167.5-168.2-16500000113.2V10 K535V10-G12 PolarHBondContact O-N 3.34Å; G12-K535 CarbonylContact C-O 3.21Å; G12-K535 WeakPolarHBondContact CA-O 3.39Å
13T83.6Confident74.4Confident77 Ų7785.3 Ų85.347%0.47248%0.479SS..EExtended strand (participates in β ladder)trans-105.4135.4170.657.70000110.2K535T13-K535 PolarHBondContact N-O 2.85Å; T13-K535 PolarHBondContact O-N 3.33Å
14R86.1Confident76.6Confident115 Ų11579.3 Ų79.343%0.43445%0.447SS..EExtended strand (participates in β ladder)trans-121.3125.8172.7178.8177.1175.4-155.8-0.8109.2T16 D532 L533 I534R14-T16 HydrophobicContact CG-CG2 3.78Å; R14-D532 IonicContact CZ-OD2 3.33Å; R14-D532 IonicContact NE-OD2 3.15Å; R14-D532 PolarHBondContact NE-OD2 3Å; R14-D532 VanDerWaalsContact NE-OD2 3.15Å; R14-D532 IonicContact NH2-OD2 2.69Å; R14-D532 PolarHBondContact NH2-OD2 3.39Å; R14-L533 WeakPolarHBondContact CA-O 3.33Å; R14-I534 HydrophobicContact CB-CG1 4.49Å; R14-I534 HydrophobicContact CG-CG1 4.05Å
15T86.3Confident78.9Confident42 Ų4271.7 Ų71.726%0.25841%0.411SS..EExtended strand (participates in β ladder)trans-119.3139.2172.5-54.30000107.2S19 V20 L533T15-S19 WeakPolarHBondContact CG2-OG 3.08Å; T15-V20 HydrophobicContact CG2-CG2 3.76Å; T15-V20 WeakPolarHBondContact O-CG2 3.43Å; T15-L533 PolarHBondContact N-O 2.84Å; T15-L533 PolarHBondContact O-N 3.44Å
16T86.1Confident81.3Confident66 Ų6669.6 Ų69.641%0.40540%0.397SS..EExtended strand (participates in β ladder)trans-133.2154.2-170.464.10000112.8R14 S19 D532R14-T16 HydrophobicContact CG-CG2 3.78Å; T16-S19 PolarHBondContact O-OG 3.45Å; T16-D532 WeakPolarHBondContact CA-OD1 3.11Å; T16-D532 WeakPolarHBondContact CB-OD1 3.11Å; T16-D532 WeakPolarHBondContact CG2-OD1 3.05Å
17G85.8Confident83.4Confident24 Ų2468 Ų6825%0.24738%0.379CS..THydrogen-bonded Turntrans71.2-133.3169.200000114.8S19 V20 R21 D531G17-S19 VanDerWaalsContact C-N 3.3Å; G17-S19 PolarHBondContact O-N 2.7Å; G17-V20 PolarHBondContact O-N 3.23Å; G17-R21 PolarHBondContact O-N 3.47Å; G17-D531 PolarHBondContact N-O 2.78Å
18E84.8Confident85Confident92 Ų9262.7 Ų62.743%0.4334%0.335SS..Hα-helixtrans-66.5-31.3-172.1-171.5174169.400113.2V20 R21 S22E18-V20 PolarHBondContact O-N 3.33Å; E18-R21 PolarHBondContact O-N 3.06Å; E18-S22 PolarHBondContact O-N 3.47Å; E18-S22 PolarHBondContact O-OG 2.92Å
19S87.6Confident86.5Confident53 Ų5357.9 Ų57.937%0.37131%0.312SS..Hα-helixtrans-61.6-43.9178.662.30000112.2T15 T16 G17 S22 Q23T15-S19 WeakPolarHBondContact CG2-OG 3.08Å; T16-S19 PolarHBondContact O-OG 3.45Å; G17-S19 VanDerWaalsContact C-N 3.3Å; G17-S19 PolarHBondContact O-N 2.7Å; S19-S22 PolarHBondContact O-N 3.48Å; S19-Q23 VanDerWaalsContact O-CG 3.31Å; S19-Q23 WeakPolarHBondContact O-CG 3.19Å; S19-Q23 PolarHBondContact O-N 2.83Å
20V90.5Very high87.8Confident0 Ų054.5 Ų54.50%030%0.299CS..Hα-helixtrans-62.6-44.5176.2178.20000111.1T15 G17 E18 S22 Q23 N24 I530 L533T15-V20 HydrophobicContact CG2-CG2 3.76Å; T15-V20 WeakPolarHBondContact O-CG2 3.43Å; G17-V20 PolarHBondContact O-N 3.23Å; E18-V20 PolarHBondContact O-N 3.33Å; V20-S22 PolarHBondContact O-N 3.04Å; V20-Q23 PolarHBondContact O-N 3.07Å; V20-N24 WeakPolarHBondContact O-CB 3.49Å; V20-N24 PolarHBondContact O-N 3.48Å; V20-N24 PolarHBondContact O-ND2 2.99Å; V20-I530 HydrophobicContact CG1-CG2 4.03Å; V20-L533 HydrophobicContact CG1-CB 3.84Å; V20-L533 HydrophobicContact CG2-CB 3.93Å
21R87.8Confident88.9Confident49 Ų4953 Ų5319%0.18529%0.29CS..Hα-helixtrans-62.5-44.8179.2-71.9-171.5-73-96.32.5111.8G17 E18 Q23 N24 V25G17-R21 PolarHBondContact O-N 3.47Å; E18-R21 PolarHBondContact O-N 3.06Å; R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 3.01Å; R21-N24 PolarHBondContact O-N 3.26Å; R21-V25 VanDerWaalsContact O-CG2 3.24Å; R21-V25 WeakPolarHBondContact O-CG2 3.48Å; R21-V25 PolarHBondContact O-N 3.27Å
22S89.9Confident89.7Confident40 Ų4044.9 Ų44.928%0.2825%0.254SS..Hα-helixtrans-62.8-39.7176.1-66.50000112.1E18 S19 V20 V25 M26E18-S22 PolarHBondContact O-N 3.47Å; E18-S22 PolarHBondContact O-OG 2.92Å; S19-S22 PolarHBondContact O-N 3.48Å; V20-S22 PolarHBondContact O-N 3.04Å; S22-V25 PolarHBondContact O-N 2.59Å; S22-M26 WeakPolarHBondContact O-CB 3.34Å; S22-M26 PolarHBondContact O-N 2.89Å
23Q91.9Very high90.3Very high83 Ų8348.1 Ų48.139%0.38827%0.267SS..Hα-helixtrans-63.6-45.1174.4-74.3174-300112.1S19 V20 R21 V25 M26 A27S19-Q23 VanDerWaalsContact O-CG 3.31Å; S19-Q23 WeakPolarHBondContact O-CG 3.19Å; S19-Q23 PolarHBondContact O-N 2.83Å; V20-Q23 PolarHBondContact O-N 3.07Å; R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 3.01Å; Q23-V25 VanDerWaalsContact C-N 3.34Å; Q23-V25 PolarHBondContact O-N 3.36Å; Q23-M26 PolarHBondContact O-N 3.22Å; Q23-A27 WeakPolarHBondContact O-CB 3.44Å; Q23-A27 PolarHBondContact O-N 3.42Å
24N93Very high90.7Very high4 Ų447.3 Ų47.32%0.02126%0.259CS..Hα-helixtrans-58.5-45.6176.7-71.7-21000111.7V20 R21 A27 A28 H72 A74 I527V20-N24 WeakPolarHBondContact O-CB 3.49Å; V20-N24 PolarHBondContact O-N 3.48Å; V20-N24 PolarHBondContact O-ND2 2.99Å; R21-N24 PolarHBondContact O-N 3.26Å; N24-A27 PolarHBondContact O-N 3.32Å; N24-A28 VanDerWaalsContact O-CB 3.31Å; N24-A28 WeakPolarHBondContact O-CB 3.37Å; N24-A28 PolarHBondContact O-N 3.03Å; N24-H72 PolarHBondContact OD1-CE1 3.17Å; N24-H72 VanDerWaalsContact OD1-CE1 3.24Å; N24-A74 HydrophobicContact CB-CB 4.06Å; N24-I527 HydrophobicContact CB-CG2 3.79Å
25V93.1Very high91.1Very high19 Ų1941.8 Ų41.812%0.11524%0.238CC..Hα-helixtrans-65.5-40.2178.7174.30000111.2R21 S22 Q23 A28 S29 L104 K105 D108R21-V25 VanDerWaalsContact O-CG2 3.24Å; R21-V25 WeakPolarHBondContact O-CG2 3.48Å; R21-V25 PolarHBondContact O-N 3.27Å; S22-V25 PolarHBondContact O-N 2.59Å; Q23-V25 VanDerWaalsContact C-N 3.34Å; Q23-V25 PolarHBondContact O-N 3.36Å; V25-A28 PolarHBondContact O-N 2.91Å; V25-S29 VanDerWaalsContact O-CB 3.23Å; V25-S29 WeakPolarHBondContact O-CB 3.49Å; V25-S29 PolarHBondContact O-N 3.37Å; V25-S29 PolarHBondContact O-OG 3.09Å; V25-L104 HydrophobicContact CG2-CB 4.45Å; V25-K105 HydrophobicContact CG1-CB 4.2Å; V25-K105 HydrophobicContact CG1-CG 4.49Å; V25-D108 HydrophobicContact CG2-CB 3.73Å
26M93.3Very high91.5Very high133 Ų13342.1 Ų42.166%0.65524%0.236SC*.Hα-helixtrans-63.1-48.3176.3-173.4-176.9-66.800111S22 Q23 A28 S29 S30S22-M26 WeakPolarHBondContact O-CB 3.34Å; S22-M26 PolarHBondContact O-N 2.89Å; Q23-M26 PolarHBondContact O-N 3.22Å; M26-A28 PolarHBondContact O-N 3.12Å; M26-S29 PolarHBondContact O-N 3.25Å; M26-S30 PolarHBondContact O-N 3.43Å; M26-S30 PolarHBondContact O-OG 2.82Å; M26-S30 VanDerWaalsContact O-OG 3.06Å
27A93.6Very high91.9Very high16 Ų1641.1 Ų41.113%0.13223%0.232CC..Hα-helixtrans-59.8-46.3177.100000111.8Q23 N24 S29 S30 I31 H72 A75Q23-A27 WeakPolarHBondContact O-CB 3.44Å; Q23-A27 PolarHBondContact O-N 3.42Å; N24-A27 PolarHBondContact O-N 3.32Å; A27-S29 PolarHBondContact O-N 3.43Å; A27-S30 PolarHBondContact O-N 3.2Å; A27-I31 PolarHBondContact O-N 3.21Å; A27-H72 HydrophobicContact CB-CB 4.17Å; A27-A75 HydrophobicContact CB-CB 4.43Å
28A93.6Very high92.2Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-61-43.3176.200000112.5N24 V25 M26 I31 A32 L78 L104N24-A28 VanDerWaalsContact O-CB 3.31Å; N24-A28 WeakPolarHBondContact O-CB 3.37Å; N24-A28 PolarHBondContact O-N 3.03Å; V25-A28 PolarHBondContact O-N 2.91Å; M26-A28 PolarHBondContact O-N 3.12Å; A28-I31 PolarHBondContact O-N 2.75Å; A28-A32 WeakPolarHBondContact O-CB 3.39Å; A28-A32 PolarHBondContact O-N 2.95Å; A28-L78 HydrophobicContact CB-CD1 3.69Å; A28-L104 HydrophobicContact CB-CD1 3.79Å
29S93.8Very high92.6Very high29 Ų2936.5 Ų36.520%0.20320%0.204CC..Hα-helixtrans-66.3-38.3179.1-62.60000112.1V25 M26 A27 A32 N33V25-S29 VanDerWaalsContact O-CB 3.23Å; V25-S29 WeakPolarHBondContact O-CB 3.49Å; V25-S29 PolarHBondContact O-N 3.37Å; V25-S29 PolarHBondContact O-OG 3.09Å; M26-S29 PolarHBondContact O-N 3.25Å; A27-S29 PolarHBondContact O-N 3.43Å; S29-A32 PolarHBondContact O-N 3.34Å; S29-N33 WeakPolarHBondContact O-CB 3.38Å; S29-N33 PolarHBondContact O-N 2.76Å; S29-N33 PolarHBondContact O-ND2 2.94Å; S29-N33 PolarHBondContact O-OD1 2.99Å
30S93.3Very high92.7Very high66 Ų6634.6 Ų34.646%0.46219%0.193SC..Hα-helixtrans-60.5-47.3175.9-65.10000111.4M26 A27 N33 I34M26-S30 PolarHBondContact O-N 3.43Å; M26-S30 PolarHBondContact O-OG 2.82Å; M26-S30 VanDerWaalsContact O-OG 3.06Å; A27-S30 PolarHBondContact O-N 3.2Å; S30-N33 PolarHBondContact O-N 3.33Å; S30-I34 WeakPolarHBondContact O-CG1 3.35Å; S30-I34 PolarHBondContact O-N 3.22Å
31I93.4Very high92.4Very high15 Ų1537.6 Ų37.68%0.07721%0.213CC..Hα-helixtrans-62-45.5175.8-66.2-59.7000111.6A27 A28 N33 I34 V35 L65 V70 A75 L78 V97A27-I31 PolarHBondContact O-N 3.21Å; A28-I31 PolarHBondContact O-N 2.75Å; I31-N33 VanDerWaalsContact C-N 3.32Å; I31-N33 PolarHBondContact O-N 3.02Å; I31-I34 HydrophobicContact CD1-CD1 4.44Å; I31-I34 WeakPolarHBondContact O-CB 3.45Å; I31-I34 PolarHBondContact O-N 3.01Å; I31-V35 PolarHBondContact O-N 2.75Å; I31-L65 HydrophobicContact CG2-CD2 3.38Å; I31-V70 HydrophobicContact CD1-CG2 4.1Å; I31-A75 HydrophobicContact CD1-CB 4.17Å; I31-A75 HydrophobicContact CG1-CB 3.56Å; I31-L78 HydrophobicContact CB-CD1 4.48Å; I31-L78 HydrophobicContact CG2-CB 4.45Å; I31-L78 HydrophobicContact CG2-CD1 4.49Å; I31-V97 HydrophobicContact CG2-CG1 4.11Å
32A94.6Very high92.4Very high0 Ų037.5 Ų37.50%022%0.217CC..Hα-helixtrans-62.9-38.3177.400000112.5A28 S29 I34 V35 K36 V97 A101A28-A32 WeakPolarHBondContact O-CB 3.39Å; A28-A32 PolarHBondContact O-N 2.95Å; S29-A32 PolarHBondContact O-N 3.34Å; A32-I34 VanDerWaalsContact C-N 3.27Å; A32-I34 PolarHBondContact O-N 3.32Å; A32-V35 VanDerWaalsContact O-CG2 3.3Å; A32-V35 WeakPolarHBondContact O-CG2 3.25Å; A32-V35 PolarHBondContact O-N 2.65Å; A32-K36 VanDerWaalsContact O-CG 3.29Å; A32-K36 WeakPolarHBondContact O-CG 3.31Å; A32-K36 PolarHBondContact O-N 2.71Å; A32-V97 HydrophobicContact CB-CG1 4.47Å; A32-A101 HydrophobicContact CB-CB 3.34Å
33N94Very high92.2Very high88 Ų8836.1 Ų36.147%0.47121%0.209SC..Hα-helixtrans-64.8-31.2178.8-72.3-20.5000112.8S29 S30 I31 K36S29-N33 WeakPolarHBondContact O-CB 3.38Å; S29-N33 PolarHBondContact O-N 2.76Å; S29-N33 PolarHBondContact O-ND2 2.94Å; S29-N33 PolarHBondContact O-OD1 2.99Å; S30-N33 PolarHBondContact O-N 3.33Å; I31-N33 VanDerWaalsContact C-N 3.32Å; I31-N33 PolarHBondContact O-N 3.02Å; N33-K36 PolarHBondContact OD1-NZ 2.92Å
34I93.2Very high92.1Very high59 Ų5938.1 Ų38.130%0.30322%0.222SC..Hα-helixtrans-58.9-56.8171.5-64.7167.7000108.4S30 I31 A32 K36 S37 K46 I64 L68S30-I34 WeakPolarHBondContact O-CG1 3.35Å; S30-I34 PolarHBondContact O-N 3.22Å; I31-I34 HydrophobicContact CD1-CD1 4.44Å; I31-I34 WeakPolarHBondContact O-CB 3.45Å; I31-I34 PolarHBondContact O-N 3.01Å; A32-I34 VanDerWaalsContact C-N 3.27Å; A32-I34 PolarHBondContact O-N 3.32Å; I34-K36 PolarHBondContact O-N 2.84Å; I34-S37 PolarHBondContact O-OG 2.87Å; I34-K46 HydrophobicContact CG2-CD 3.97Å; I34-K46 WeakPolarHBondContact O-CE 3.33Å; I34-K46 PolarHBondContact O-NZ 2.85Å; I34-I64 HydrophobicContact CG2-CG2 3.92Å; I34-L68 HydrophobicContact CD1-CD1 3.81Å; I34-L68 HydrophobicContact CG2-CD1 4.39Å
35V94Very high91.9Very high0 Ų040.9 Ų40.90%024%0.236CC..Hα-helixtrans-76.3-18.1-173.1-58.10000114.4I31 A32 S37 S38 L65 T94 V97 I98I31-V35 PolarHBondContact O-N 2.75Å; A32-V35 VanDerWaalsContact O-CG2 3.3Å; A32-V35 WeakPolarHBondContact O-CG2 3.25Å; A32-V35 PolarHBondContact O-N 2.65Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.89Å; V35-S38 PolarHBondContact O-N 3.11Å; V35-L65 HydrophobicContact CG1-CD1 4.4Å; V35-L65 HydrophobicContact CG1-CD2 4.16Å; V35-L65 HydrophobicContact CG1-CG 4.19Å; V35-T94 HydrophobicContact CB-CG2 4.03Å; V35-T94 HydrophobicContact CG2-CG2 4.26Å; V35-T94 WeakPolarHBondContact O-CG2 3.27Å; V35-V97 HydrophobicContact CG2-CB 4.32Å; V35-V97 HydrophobicContact CG2-CG1 4.05Å; V35-I98 HydrophobicContact CG2-CD1 4.39Å; V35-I98 HydrophobicContact CG2-CG1 3.93Å
36K94.6Very high91.9Very high49 Ų4941.6 Ų41.621%0.21324%0.238CC..Hα-helixtrans-54.8-42.1178.6-87.3176.9-168.21690113.4A32 N33 I34 S38 L39 I98 T454 N458A32-K36 VanDerWaalsContact O-CG 3.29Å; A32-K36 WeakPolarHBondContact O-CG 3.31Å; A32-K36 PolarHBondContact O-N 2.71Å; N33-K36 PolarHBondContact OD1-NZ 2.92Å; I34-K36 PolarHBondContact O-N 2.84Å; K36-S38 PolarHBondContact O-N 2.87Å; K36-L39 WeakPolarHBondContact O-CB 3.38Å; K36-L39 PolarHBondContact O-N 2.95Å; K36-I98 HydrophobicContact CG-CD1 3.91Å; K36-I98 HydrophobicContact CG-CG1 4Å; K36-I98 HydrophobicContact CG-CG2 4.31Å; K36-T454 HydrophobicContact CB-CG2 3.92Å; K36-T454 HydrophobicContact CG-CG2 3.97Å; K36-T454 WeakPolarHBondContact O-CG2 3.32Å; K36-N458 PolarHBondContact O-ND2 3.13Å
37S93.6Very high91.8Very high45 Ų4541.2 Ų41.232%0.31524%0.236SC..THydrogen-bonded Turntrans-70.6-12.5-179.438.90000113.7I34 V35 G43 L44 K46I34-S37 PolarHBondContact O-OG 2.87Å; V35-S37 VanDerWaalsContact C-N 3.31Å; V35-S37 PolarHBondContact O-N 2.89Å; S37-G43 CarbonylContact O-C 3.42Å; S37-G43 WeakPolarHBondContact O-CA 3.42Å; S37-L44 PolarHBondContact O-N 3.19Å; S37-K46 PolarHBondContact OG-NZ 2.8Å
38S92.1Very high91.7Very high1 Ų142.1 Ų42.11%0.00724%0.239CC..THydrogen-bonded Turntrans-990.6176.2-54.30000112.2V35 K36 G40 L44 K46 N59V35-S38 PolarHBondContact O-N 3.11Å; K36-S38 PolarHBondContact O-N 2.87Å; S38-G40 PolarHBondContact O-N 3.01Å; S38-L44 PolarHBondContact OG-O 3.22Å; S38-K46 VanDerWaalsContact OG-CE 3.31Å; S38-K46 WeakPolarHBondContact OG-CE 3.23Å; S38-K46 PolarHBondContact OG-NZ 3Å; S38-N59 PolarHBondContact O-OD1 2.87Å
39L93.1Very high91.6Very high17 Ų1746.7 Ų46.79%0.08927%0.266CS..  trans-77.7126.7-179.3-175.873.1000112.4K36 T94 I98 I451 T454 L455 N458K36-L39 WeakPolarHBondContact O-CB 3.38Å; K36-L39 PolarHBondContact O-N 2.95Å; L39-T94 HydrophobicContact CB-CG2 3.98Å; L39-T94 HydrophobicContact CD1-CG2 3.83Å; L39-I98 HydrophobicContact CB-CD1 4.1Å; L39-I98 HydrophobicContact CD1-CD1 4.32Å; L39-I98 HydrophobicContact CD2-CD1 3.9Å; L39-I98 HydrophobicContact CG-CD1 4.32Å; L39-I451 HydrophobicContact CD2-CD1 4.02Å; L39-I451 HydrophobicContact CD2-CG2 4.39Å; L39-T454 HydrophobicContact CB-CG2 4.28Å; L39-T454 HydrophobicContact CD2-CG2 3.89Å; L39-L455 HydrophobicContact CD2-CD2 4.15Å; L39-L455 HydrophobicContact CD2-CG 4.14Å; L39-L455 HydrophobicContact CG-CD2 3.88Å; L39-L455 HydrophobicContact CG-CG 4.42Å; L39-N458 PolarHBondContact O-ND2 3.12Å
40G89.5Confident91.5Very high13 Ų1349.8 Ų49.813%0.13428%0.281CS..SBendtrans91.7175.3169.400000114.5S38 V42 G43 S161S38-G40 PolarHBondContact O-N 3.01Å; G40-V42 PolarHBondContact O-N 3.3Å; G40-V42 VanDerWaalsContact O-N 3.15Å; G40-G43 WeakPolarHBondContact O-CA 3.22Å; G40-G43 PolarHBondContact O-N 3.04Å; G40-S161 VanDerWaalsContact C-CB 3.44Å; G40-S161 WeakPolarHBondContact O-CA 3.4Å; G40-S161 WeakPolarHBondContact O-CB 3.5Å
41P85.6Confident91.3Very high64 Ų6454.5 Ų54.542%0.41630%0.3SS..THydrogen-bonded Turntrans-63.2-22.4-175.825.7-35.7000114.5S160 L493P41-S160 VanDerWaalsContact CA-O 3.31Å; P41-S160 WeakPolarHBondContact CA-O 3.4Å; P41-L493 HydrophobicContact CG-CD1 3.83Å
42V87.3Confident91.3Very high47 Ų4760.5 Ų60.529%0.28533%0.331SS..THydrogen-bonded Turntrans-99.36.4176.4-66.50000112G40 N458 A459 L493G40-V42 PolarHBondContact O-N 3.3Å; G40-V42 VanDerWaalsContact O-N 3.15Å; V42-N458 HydrophobicContact CG2-CB 3.82Å; V42-A459 HydrophobicContact CG1-CB 4.46Å; V42-A459 HydrophobicContact CG2-CB 3.92Å; V42-L493 HydrophobicContact CG1-CB 4.42Å; V42-L493 HydrophobicContact CG2-CD1 3.91Å
43G86.4Confident91Very high10 Ų1062.5 Ų62.510%0.10335%0.352CS..PPolyproline II helixtrans-67.5146.2174.300000110.9S37 G40S37-G43 CarbonylContact O-C 3.42Å; S37-G43 WeakPolarHBondContact O-CA 3.42Å; G40-G43 WeakPolarHBondContact O-CA 3.22Å; G40-G43 PolarHBondContact O-N 3.04Å
44L88.3Confident90.8Very high125 Ų12563.3 Ų63.365%0.65436%0.356SS*.PPolyproline II helixtrans-101141.7-178.3-59.9175.9000111.2S37 S38S37-L44 PolarHBondContact O-N 3.19Å; S38-L44 PolarHBondContact OG-O 3.22Å
45D90.4Very high90.6Very high62 Ų6262.2 Ų62.233%0.33235%0.352SS..PPolyproline II helixtrans-68.9153.2175-58.8-9.6000110.7I57 N59D45-I57 HydrophobicContact CB-CG2 3.88Å; D45-N59 VanDerWaalsContact OD1-CB 3.28Å; D45-N59 WeakPolarHBondContact OD1-CB 3.21Å; D45-N59 PolarHBondContact OD1-ND2 2.82Å
46K91.5Very high90.4Very high35 Ų3563.9 Ų63.915%0.15236%0.363CS..EExtended strand (participates in β ladder)trans-109.9140.4175.3-58.9-167.8-166.9-540110.6I34 S37 S38 I57 T58 I64I34-K46 HydrophobicContact CG2-CD 3.97Å; I34-K46 WeakPolarHBondContact O-CE 3.33Å; I34-K46 PolarHBondContact O-NZ 2.85Å; S37-K46 PolarHBondContact OG-NZ 2.8Å; S38-K46 VanDerWaalsContact OG-CE 3.31Å; S38-K46 WeakPolarHBondContact OG-CE 3.23Å; S38-K46 PolarHBondContact OG-NZ 3Å; K46-I57 CarbonylContact O-C 3.58Å; K46-I57 VanDerWaalsContact O-CA 3.28Å; K46-I57 WeakPolarHBondContact O-CA 3.34Å; K46-T58 PolarHBondContact N-O 2.91Å; K46-T58 PolarHBondContact O-N 3.46Å; K46-I64 HydrophobicContact CB-CD1 4.43Å; K46-I64 HydrophobicContact CD-CD1 3.86Å; K46-I64 HydrophobicContact CD-CG1 4.42Å; K46-I64 HydrophobicContact CD-CG2 4.29Å; K46-I64 HydrophobicContact CG-CD1 4.14Å
47M92.1Very high90.3Very high124 Ų12464.2 Ų64.261%0.61137%0.366SS*.EExtended strand (participates in β ladder)trans-96.2118.4169.1-174.4177.4-77.700108.7V49 V55 I57M47-V49 HydrophobicContact CG-CG2 4.46Å; M47-V55 HydrophobicContact CE-CG1 4.13Å; M47-V55 HydrophobicContact CG-CG1 3.33Å; M47-V55 HydrophobicContact SD-CG1 3.87Å; M47-I57 HydrophobicContact CE-CD1 3.87Å; M47-I57 HydrophobicContact CE-CG1 4.11Å; M47-I57 HydrophobicContact CG-CG1 4.37Å
48L91.3Very high90.1Very high36 Ų3662 Ų6219%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-112.9128.5175.8-60.9172000107.9V55 T56 I64 L67L48-V55 CarbonylContact O-C 3.58Å; L48-V55 WeakPolarHBondContact O-CA 3.49Å; L48-T56 PolarHBondContact N-O 2.88Å; L48-T56 PolarHBondContact O-N 3.36Å; L48-I64 HydrophobicContact CD1-CB 4.43Å; L48-I64 HydrophobicContact CD1-CG1 4.35Å; L48-I64 HydrophobicContact CD1-CG2 4.38Å; L48-L67 HydrophobicContact CB-CD1 4.34Å; L48-L67 HydrophobicContact CD1-CB 3.91Å; L48-L67 HydrophobicContact CD1-CD1 3.59Å; L48-L67 HydrophobicContact CD1-CG 4.39Å
49V92.6Very high89.9Confident96 Ų9662.2 Ų62.258%0.58235%0.352SS*.EExtended strand (participates in β ladder)trans-112.5125.7-178.4-172.50000107.7M47 D54 V55M47-V49 HydrophobicContact CG-CG2 4.46Å; V49-D54 WeakPolarHBondContact CA-O 3.47Å; V49-V55 HydrophobicContact CG1-CG2 4.47Å; V49-V55 HydrophobicContact CG2-CG2 4.2Å
50D90.6Very high89.7Confident94 Ų9462 Ų6250%0.50335%0.351SS..  trans-78.9166.3174.6-164.28.1000110.9I52 G53 D54D50-I52 PolarHBondContact O-N 2.8Å; D50-I52 VanDerWaalsContact O-N 3.11Å; D50-G53 WeakPolarHBondContact O-CA 3.44Å; D50-G53 PolarHBondContact O-N 3.45Å; D50-D54 HydrophobicContact CB-CB 4.44Å; D50-D54 PolarHBondContact N-O 3.22Å
51D90Very high89.7Confident164 Ų16461.3 Ų61.388%0.87734%0.344SS*.THydrogen-bonded Turntrans-59.3-27.3-178.3-73.5-20.7000113G53D51-G53 VanDerWaalsContact C-N 3.3Å
52I91.9Very high89.9Confident141 Ų14158.6 Ų58.672%0.72333%0.327SS*.THydrogen-bonded Turntrans-80.7-14.8178.7-57.1174.1000111.4D50D50-I52 PolarHBondContact O-N 2.8Å; D50-I52 VanDerWaalsContact O-N 3.11Å
53G88.7Confident90Very high43 Ų4357.8 Ų57.844%0.44332%0.322SS..  trans96.24.3-17600000114.5D50 D51D50-G53 WeakPolarHBondContact O-CA 3.44Å; D50-G53 PolarHBondContact O-N 3.45Å; D51-G53 VanDerWaalsContact C-N 3.3Å
54D89.4Confident90.3Very high104 Ų10457.3 Ų57.356%0.55632%0.317SS*.  trans-68133.8172.6-76.2-23.2000110.3V49 D50V49-D54 WeakPolarHBondContact CA-O 3.47Å; D50-D54 HydrophobicContact CB-CB 4.44Å; D50-D54 PolarHBondContact N-O 3.22Å
55V90.4Very high90.5Very high36 Ų3651.5 Ų51.522%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-108.9125.7-174-175.80000110.2M47 L48 V49 I57 F386M47-V55 HydrophobicContact CE-CG1 4.13Å; M47-V55 HydrophobicContact CG-CG1 3.33Å; M47-V55 HydrophobicContact SD-CG1 3.87Å; L48-V55 CarbonylContact O-C 3.58Å; L48-V55 WeakPolarHBondContact O-CA 3.49Å; V49-V55 HydrophobicContact CG1-CG2 4.47Å; V49-V55 HydrophobicContact CG2-CG2 4.2Å; V55-I57 HydrophobicContact CG1-CG1 4.19Å; V55-F386 HydrophobicContact CB-CE1 4.44Å; V55-F386 WeakPolarHBondContact O-CD1 3.46Å; V55-F386 WeakPolarHBondContact O-CE1 3.38Å
56T89.8Confident90.5Very high36 Ų3656 Ų5622%0.22130%0.303CS..EExtended strand (participates in β ladder)trans-110.3120.4168.6-62.50000109.5L48 T58 L67L48-T56 PolarHBondContact N-O 2.88Å; L48-T56 PolarHBondContact O-N 3.36Å; T56-T58 HydrophobicContact CG2-CG2 4.44Å; T56-L67 HydrophobicContact CG2-CD1 3.97Å
57I91.1Very high90.5Very high55 Ų5558.5 Ų58.528%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-100.5123.6171.2-56.5172.5000107.4D45 K46 M47 V55D45-I57 HydrophobicContact CB-CG2 3.88Å; K46-I57 CarbonylContact O-C 3.58Å; K46-I57 VanDerWaalsContact O-CA 3.28Å; K46-I57 WeakPolarHBondContact O-CA 3.34Å; M47-I57 HydrophobicContact CE-CD1 3.87Å; M47-I57 HydrophobicContact CE-CG1 4.11Å; M47-I57 HydrophobicContact CG-CG1 4.37Å; V55-I57 HydrophobicContact CG1-CG1 4.19Å
58T89.5Confident90.3Very high0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-155.2149.9179.1-165.30000114.1K46 T56 D60 T63 I64 E390K46-T58 PolarHBondContact N-O 2.91Å; K46-T58 PolarHBondContact O-N 3.46Å; T56-T58 HydrophobicContact CG2-CG2 4.44Å; T58-D60 PolarHBondContact OG1-N 2.99Å; T58-T63 HydrophobicContact CG2-CG2 3.94Å; T58-I64 HydrophobicContact CG2-CG1 3.7Å; T58-E390 VanDerWaalsContact CA-CD 3.48Å; T58-E390 WeakPolarHBondContact CA-OE1 3.31Å; T58-E390 VanDerWaalsContact CA-OE2 3.28Å; T58-E390 WeakPolarHBondContact CA-OE2 3.24Å; T58-E390 WeakPolarHBondContact CB-OE2 3.31Å; T58-E390 VanDerWaalsContact OG1-CD 3.31Å; T58-E390 PolarHBondContact OG1-OE1 3.21Å; T58-E390 PolarHBondContact OG1-OE2 3.32Å
59N88.3Confident90.2Very high4 Ų462.5 Ų62.52%0.02134%0.336CS..  trans-96.7-22.1170.6-157-72000112.6S38 D45 G61 S161 E390S38-N59 PolarHBondContact O-OD1 2.87Å; D45-N59 VanDerWaalsContact OD1-CB 3.28Å; D45-N59 WeakPolarHBondContact OD1-CB 3.21Å; D45-N59 PolarHBondContact OD1-ND2 2.82Å; N59-G61 PolarHBondContact O-N 3.48Å; N59-S161 PolarHBondContact ND2-O 3.49Å; N59-S161 PolarHBondContact OD1-O 2.89Å; N59-E390 PolarHBondContact N-OE1 3.44Å
60D88.3Confident90Very high12 Ų1259.8 Ų59.86%0.06432%0.319CS..  trans-67.9120.1-173.2169.338.8000111.7T58 A62 T63 I64 T93T58-D60 PolarHBondContact OG1-N 2.99Å; D60-A62 VanDerWaalsContact C-N 3.28Å; D60-A62 PolarHBondContact O-N 3.08Å; D60-A62 PolarHBondContact OD1-N 3.07Å; D60-A62 VanDerWaalsContact OD1-N 3.09Å; D60-T63 PolarHBondContact O-N 3.36Å; D60-T63 WeakPolarHBondContact OD2-CB 3.41Å; D60-T63 PolarHBondContact OD2-N 3.33Å; D60-T63 PolarHBondContact OD2-OG1 3.11Å; D60-I64 VanDerWaalsContact O-CG1 3.3Å; D60-I64 WeakPolarHBondContact O-CG1 3.41Å; D60-I64 PolarHBondContact O-N 2.94Å; D60-T93 PolarHBondContact OD1-OG1 3.17Å
61G89.2Confident89.9Confident0 Ų064.1 Ų64.10%034%0.337CS..Hα-helixtrans-59.4-35.3179.900000113.1N59 L65 T94N59-G61 PolarHBondContact O-N 3.48Å; G61-L65 WeakPolarHBondContact O-CB 3.46Å; G61-L65 WeakPolarHBondContact O-CD1 3.34Å; G61-L65 WeakPolarHBondContact O-CG 3.36Å; G61-L65 PolarHBondContact O-N 3.08Å; G61-T94 PolarHBondContact N-OG1 3.43Å
62A90.4Very high89.9Confident6 Ų658.7 Ų58.75%0.0531%0.306CS..Hα-helixtrans-69.1-44.4178.400000111.2D60 L65 K66 A82 D86 T93D60-A62 VanDerWaalsContact C-N 3.28Å; D60-A62 PolarHBondContact O-N 3.08Å; D60-A62 PolarHBondContact OD1-N 3.07Å; D60-A62 VanDerWaalsContact OD1-N 3.09Å; A62-L65 PolarHBondContact O-N 3.29Å; A62-K66 WeakPolarHBondContact O-CB 3.33Å; A62-K66 PolarHBondContact O-N 3.28Å; A62-A82 HydrophobicContact CB-CB 4.46Å; A62-D86 HydrophobicContact CB-CB 3.95Å; A62-T93 HydrophobicContact CB-CG2 3.72Å
63T90.3Very high89.8Confident30 Ų3055.2 Ų55.218%0.18429%0.293CS..Hα-helixtrans-62.3-43.5176-57.50000111.8T58 D60 L65 K66 L67T58-T63 HydrophobicContact CG2-CG2 3.94Å; D60-T63 PolarHBondContact O-N 3.36Å; D60-T63 WeakPolarHBondContact OD2-CB 3.41Å; D60-T63 PolarHBondContact OD2-N 3.33Å; D60-T63 PolarHBondContact OD2-OG1 3.11Å; T63-L65 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 3.19Å; T63-K66 PolarHBondContact O-N 2.67Å; T63-L67 HydrophobicContact CG2-CD1 4.25Å; T63-L67 WeakPolarHBondContact O-CG 3.31Å; T63-L67 PolarHBondContact O-N 3.44Å
64I92.6Very high89.8Confident0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-57.1-49.8175.2-67.1162.4000110.4I34 K46 L48 T58 D60 K66 L67 L68I34-I64 HydrophobicContact CG2-CG2 3.92Å; K46-I64 HydrophobicContact CB-CD1 4.43Å; K46-I64 HydrophobicContact CD-CD1 3.86Å; K46-I64 HydrophobicContact CD-CG1 4.42Å; K46-I64 HydrophobicContact CD-CG2 4.29Å; K46-I64 HydrophobicContact CG-CD1 4.14Å; L48-I64 HydrophobicContact CD1-CB 4.43Å; L48-I64 HydrophobicContact CD1-CG1 4.35Å; L48-I64 HydrophobicContact CD1-CG2 4.38Å; T58-I64 HydrophobicContact CG2-CG1 3.7Å; D60-I64 VanDerWaalsContact O-CG1 3.3Å; D60-I64 WeakPolarHBondContact O-CG1 3.41Å; D60-I64 PolarHBondContact O-N 2.94Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 2.99Å; I64-L67 PolarHBondContact O-N 3.23Å; I64-L68 HydrophobicContact CG2-CD1 4.11Å; I64-L68 WeakPolarHBondContact O-CG 3.43Å; I64-L68 PolarHBondContact O-N 2.84Å
65L92.3Very high89.9Confident4 Ų448.4 Ų48.42%0.02125%0.246CC..Hα-helixtrans-70.6-24.8-175.8-66.8175.1000113.7I31 V35 G61 A62 T63 L68 C79 A82 V97I31-L65 HydrophobicContact CG2-CD2 3.38Å; V35-L65 HydrophobicContact CG1-CD1 4.4Å; V35-L65 HydrophobicContact CG1-CD2 4.16Å; V35-L65 HydrophobicContact CG1-CG 4.19Å; G61-L65 WeakPolarHBondContact O-CB 3.46Å; G61-L65 WeakPolarHBondContact O-CD1 3.34Å; G61-L65 WeakPolarHBondContact O-CG 3.36Å; G61-L65 PolarHBondContact O-N 3.08Å; A62-L65 PolarHBondContact O-N 3.29Å; T63-L65 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 3.19Å; L65-L68 HydrophobicContact CD2-CD1 4.19Å; L65-C79 HydrophobicContact CB-CB 4.38Å; L65-A82 HydrophobicContact CD1-CB 3.57Å; L65-V97 HydrophobicContact CD1-CG1 4.38Å; L65-V97 HydrophobicContact CD1-CG2 3.71Å
66K90.9Very high90Very high155 Ų15552.3 Ų52.367%0.67426%0.26SS*.Hα-helixtrans-74.5-32.8175.8-173.2179.3179.7-173.60112.7A62 T63 I64 L68A62-K66 WeakPolarHBondContact O-CB 3.33Å; A62-K66 PolarHBondContact O-N 3.28Å; T63-K66 PolarHBondContact O-N 2.67Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 2.99Å; K66-L68 VanDerWaalsContact C-N 3.34Å
67L90.2Very high90.2Very high88 Ų8852.5 Ų52.546%0.46126%0.261SS..Hα-helixtrans-81.1-16.2177.5-69.1172000112.6L48 T56 T63 I64L48-L67 HydrophobicContact CB-CD1 4.34Å; L48-L67 HydrophobicContact CD1-CB 3.91Å; L48-L67 HydrophobicContact CD1-CD1 3.59Å; L48-L67 HydrophobicContact CD1-CG 4.39Å; T56-L67 HydrophobicContact CG2-CD1 3.97Å; T63-L67 HydrophobicContact CG2-CD1 4.25Å; T63-L67 WeakPolarHBondContact O-CG 3.31Å; T63-L67 PolarHBondContact O-N 3.44Å; I64-L67 PolarHBondContact O-N 3.23Å
68L89.5Confident90.3Very high54 Ų5449.9 Ų49.928%0.28325%0.248SC..SBendtrans-82.1122.8175.9-70.1171.3000110.8I34 I64 L65 K66 V70I34-L68 HydrophobicContact CD1-CD1 3.81Å; I34-L68 HydrophobicContact CG2-CD1 4.39Å; I64-L68 HydrophobicContact CG2-CD1 4.11Å; I64-L68 WeakPolarHBondContact O-CG 3.43Å; I64-L68 PolarHBondContact O-N 2.84Å; L65-L68 HydrophobicContact CD2-CD1 4.19Å; K66-L68 VanDerWaalsContact C-N 3.34Å; L68-V70 HydrophobicContact CB-CG2 4.23Å; L68-V70 PolarHBondContact O-N 2.95Å
69E88Confident90.5Very high191 Ų19150.6 Ų50.689%0.89325%0.253SS*.  trans-76.7109.3168.6-63.3-164.8158.400110.1
70V89Confident90.7Very high38 Ų3855 Ų5523%0.2327%0.273CS..  trans-107.1114.3-175.3179.90000110.8I31 L68 A75I31-V70 HydrophobicContact CD1-CG2 4.1Å; L68-V70 HydrophobicContact CB-CG2 4.23Å; L68-V70 PolarHBondContact O-N 2.95Å; V70-A75 HydrophobicContact CG1-CB 3.21Å
71E87.4Confident90.9Very high186 Ų18654.9 Ų54.987%0.86927%0.272SS*.  trans-80.7-33.6176.8-60.9-169.7163.700113.3
72H90.1Very high91.2Very high49 Ų4954.9 Ų54.923%0.22727%0.272CS..SBendtrans-80.3128.1-171.2-168.8-73.8000111.9N24 A27 A74 A75 K76N24-H72 PolarHBondContact OD1-CE1 3.17Å; N24-H72 VanDerWaalsContact OD1-CE1 3.24Å; A27-H72 HydrophobicContact CB-CB 4.17Å; H72-A74 WeakPolarHBondContact ND1-CB 3.41Å; H72-A74 PolarHBondContact ND1-N 2.88Å; H72-A74 VanDerWaalsContact ND1-N 3.16Å; H72-A74 PolarHBondContact O-N 3.21Å; H72-A75 HydrophobicContact CB-CB 4.25Å; H72-A75 WeakPolarHBondContact O-CB 3.39Å; H72-A75 PolarHBondContact O-N 3.31Å; H72-K76 PolarHBondContact O-N 2.9Å
73P89.4Confident91.3Very high69 Ų6957.3 Ų57.345%0.44828%0.283SS..Hα-helixtrans-56.9-43.5-175.5-27.234.6000114.7A75 K76 V77 L533P73-A75 VanDerWaalsContact C-N 3.26Å; P73-A75 PolarHBondContact O-N 3.44Å; P73-K76 WeakPolarHBondContact O-CB 3.43Å; P73-K76 PolarHBondContact O-N 3.34Å; P73-K76 VanDerWaalsContact O-N 3.17Å; P73-V77 WeakPolarHBondContact O-CG2 3.27Å; P73-V77 PolarHBondContact O-N 3.47Å; P73-L533 HydrophobicContact CG-CD1 4.4Å
74A90.2Very high91.4Very high0 Ų060.3 Ų60.30%030%0.297CS..Hα-helixtrans-61.5-34.7178.100000112.9N24 H72 L78 I527N24-A74 HydrophobicContact CB-CB 4.06Å; H72-A74 WeakPolarHBondContact ND1-CB 3.41Å; H72-A74 PolarHBondContact ND1-N 2.88Å; H72-A74 VanDerWaalsContact ND1-N 3.16Å; H72-A74 PolarHBondContact O-N 3.21Å; A74-L78 PolarHBondContact O-N 3.35Å; A74-I527 HydrophobicContact CB-CD1 4.21Å; A74-I527 HydrophobicContact CB-CG1 4.32Å; A74-I527 HydrophobicContact CB-CG2 4.16Å
75A92Very high91.4Very high3 Ų360.3 Ų60.33%0.02530%0.297CS..Hα-helixtrans-74.7-36.8177.100000110.8A27 I31 V70 H72 P73 V77 L78 C79A27-A75 HydrophobicContact CB-CB 4.43Å; I31-A75 HydrophobicContact CD1-CB 4.17Å; I31-A75 HydrophobicContact CG1-CB 3.56Å; V70-A75 HydrophobicContact CG1-CB 3.21Å; H72-A75 HydrophobicContact CB-CB 4.25Å; H72-A75 WeakPolarHBondContact O-CB 3.39Å; H72-A75 PolarHBondContact O-N 3.31Å; P73-A75 VanDerWaalsContact C-N 3.26Å; P73-A75 PolarHBondContact O-N 3.44Å; A75-V77 VanDerWaalsContact C-N 3.33Å; A75-V77 PolarHBondContact O-N 3.38Å; A75-L78 WeakPolarHBondContact O-CB 3.41Å; A75-L78 PolarHBondContact O-N 3.31Å; A75-C79 PolarHBondContact O-N 3.15Å; A75-C79 PolarHBondContact O-SG 3.2Å
76K92.3Very high91.3Very high118 Ų11862.5 Ų62.551%0.51331%0.309SS..Hα-helixtrans-59.2-41.6172.9-174176.5179176.40112.4H72 P73 L78 C79 E80H72-K76 PolarHBondContact O-N 2.9Å; P73-K76 WeakPolarHBondContact O-CB 3.43Å; P73-K76 PolarHBondContact O-N 3.34Å; P73-K76 VanDerWaalsContact O-N 3.17Å; K76-L78 VanDerWaalsContact C-N 3.25Å; K76-L78 PolarHBondContact O-N 2.89Å; K76-C79 PolarHBondContact O-N 2.74Å; K76-C79 VanDerWaalsContact O-N 3.15Å; K76-E80 WeakPolarHBondContact CE-OE1 3.44Å; K76-E80 WeakPolarHBondContact O-CG 3.35Å; K76-E80 PolarHBondContact O-N 3.01Å
77V93.4Very high91.3Very high40 Ų4061.7 Ų61.724%0.24231%0.306CS..Hα-helixtrans-58.9-37.2174.3172.70000111.5P73 A75 L81 A523 I527P73-V77 WeakPolarHBondContact O-CG2 3.27Å; P73-V77 PolarHBondContact O-N 3.47Å; A75-V77 VanDerWaalsContact C-N 3.33Å; A75-V77 PolarHBondContact O-N 3.38Å; V77-L81 VanDerWaalsContact O-CB 3.27Å; V77-L81 WeakPolarHBondContact O-CB 3.4Å; V77-L81 PolarHBondContact O-N 2.98Å; V77-A523 HydrophobicContact CG1-CB 4.4Å; V77-I527 HydrophobicContact CB-CD1 4.21Å; V77-I527 HydrophobicContact CB-CG1 4.43Å; V77-I527 HydrophobicContact CG1-CD1 4.07Å; V77-I527 HydrophobicContact CG1-CG1 4.26Å
78L93.1Very high91.1Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-72.7-34.2175.8-66.6-177.7000113.2A28 I31 A74 A75 K76 L81 A82 V97 A100A28-L78 HydrophobicContact CB-CD1 3.69Å; I31-L78 HydrophobicContact CB-CD1 4.48Å; I31-L78 HydrophobicContact CG2-CB 4.45Å; I31-L78 HydrophobicContact CG2-CD1 4.49Å; A74-L78 PolarHBondContact O-N 3.35Å; A75-L78 WeakPolarHBondContact O-CB 3.41Å; A75-L78 PolarHBondContact O-N 3.31Å; K76-L78 VanDerWaalsContact C-N 3.25Å; K76-L78 PolarHBondContact O-N 2.89Å; L78-L81 HydrophobicContact CD2-CD2 3.88Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 3.49Å; L78-A82 PolarHBondContact O-N 3.33Å; L78-A82 VanDerWaalsContact O-N 3.09Å; L78-V97 HydrophobicContact CD1-CG1 4.46Å; L78-A100 HydrophobicContact CD2-CB 3.68Å
79C93Very high91Very high15 Ų1559.2 Ų59.210%0.10129%0.29CS..Hα-helixtrans-64.7-47.1172.4-64.20000111L65 A75 K76 L81 A82 E83L65-C79 HydrophobicContact CB-CB 4.38Å; A75-C79 PolarHBondContact O-N 3.15Å; A75-C79 PolarHBondContact O-SG 3.2Å; K76-C79 PolarHBondContact O-N 2.74Å; K76-C79 VanDerWaalsContact O-N 3.15Å; C79-L81 VanDerWaalsContact C-N 3.28Å; C79-L81 PolarHBondContact O-N 3.39Å; C79-A82 PolarHBondContact O-N 3.19Å; C79-E83 PolarHBondContact O-N 3.23Å
80E92.3Very high90.8Very high96 Ų9650.1 Ų50.145%0.44925%0.248SC..Hα-helixtrans-61.2-37.3175.9-70.5175.8-172.300111.7K76 E83 L84K76-E80 WeakPolarHBondContact CE-OE1 3.44Å; K76-E80 WeakPolarHBondContact O-CG 3.35Å; K76-E80 PolarHBondContact O-N 3.01Å; E80-E83 PolarHBondContact O-N 2.72Å; E80-L84 WeakPolarHBondContact O-CB 3.46Å; E80-L84 VanDerWaalsContact O-CG 3.26Å; E80-L84 WeakPolarHBondContact O-CG 3.36Å; E80-L84 PolarHBondContact O-N 2.75Å
81L94.3Very high90.7Very high10 Ų1050 Ų505%0.05225%0.246CC..Hα-helixtrans-59.9-45.3173.8173.868.2000112.5V77 L78 C79 L84 Q85 V96 A100 F519 A523V77-L81 VanDerWaalsContact O-CB 3.27Å; V77-L81 WeakPolarHBondContact O-CB 3.4Å; V77-L81 PolarHBondContact O-N 2.98Å; L78-L81 HydrophobicContact CD2-CD2 3.88Å; L78-L81 WeakPolarHBondContact O-CB 3.48Å; L78-L81 PolarHBondContact O-N 3.49Å; C79-L81 VanDerWaalsContact C-N 3.28Å; C79-L81 PolarHBondContact O-N 3.39Å; L81-L84 PolarHBondContact O-N 2.92Å; L81-Q85 PolarHBondContact O-N 2.99Å; L81-V96 HydrophobicContact CD1-CG2 3.88Å; L81-V96 HydrophobicContact CD2-CG2 3.95Å; L81-V96 HydrophobicContact CG-CG1 4.33Å; L81-V96 HydrophobicContact CG-CG2 3.9Å; L81-A100 HydrophobicContact CD2-CB 3.83Å; L81-F519 HydrophobicContact CD1-CB 3.41Å; L81-F519 VanDerWaalsContact CD1-CB 3.41Å; L81-F519 HydrophobicContact CD1-CG 4.48Å; L81-F519 WeakPolarHBondContact CD1-O 3.33Å; L81-A523 HydrophobicContact CD1-CB 4.17Å; L81-A523 HydrophobicContact CD2-CB 3.65Å; L81-A523 HydrophobicContact CG-CB 4.38Å
82A93.9Very high90.8Very high0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-64.5-42.9177.800000111.3A62 L65 L78 C79 L84 Q85 D86 V97A62-A82 HydrophobicContact CB-CB 4.46Å; L65-A82 HydrophobicContact CD1-CB 3.57Å; L78-A82 PolarHBondContact O-N 3.33Å; L78-A82 VanDerWaalsContact O-N 3.09Å; C79-A82 PolarHBondContact O-N 3.19Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.48Å; A82-Q85 PolarHBondContact O-N 3.4Å; A82-D86 PolarHBondContact O-N 2.79Å; A82-V97 HydrophobicContact CB-CG2 3.85Å
83E92.3Very high90.9Very high58 Ų5839.6 Ų39.627%0.27120%0.201SC..Hα-helixtrans-62.7-38.2174.4-71.8-165.6-173.200113C79 E80 D86 K87C79-E83 PolarHBondContact O-N 3.23Å; E80-E83 PolarHBondContact O-N 2.72Å; E83-D86 PolarHBondContact O-N 3.34Å; E83-K87 WeakPolarHBondContact O-CB 3.24Å; E83-K87 WeakPolarHBondContact O-CD 3.21Å; E83-K87 VanDerWaalsContact O-CG 3.26Å; E83-K87 WeakPolarHBondContact O-CG 3.41Å; E83-K87 PolarHBondContact O-N 3.2Å; E83-K87 IonicContact OE2-NZ 3.06Å; E83-K87 PolarHBondContact OE2-NZ 3.48Å
84L93.1Very high91.1Very high93 Ų9337 Ų3749%0.48718%0.183SC..Hα-helixtrans-64.7-42.9176.5-76.9172.3000110.9E80 L81 A82 K87 E88E80-L84 WeakPolarHBondContact O-CB 3.46Å; E80-L84 VanDerWaalsContact O-CG 3.26Å; E80-L84 WeakPolarHBondContact O-CG 3.36Å; E80-L84 PolarHBondContact O-N 2.75Å; L81-L84 PolarHBondContact O-N 2.92Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.48Å; L84-K87 PolarHBondContact O-N 3.3Å; L84-E88 WeakPolarHBondContact O-CB 3.44Å; L84-E88 WeakPolarHBondContact O-CG 3.4Å; L84-E88 PolarHBondContact O-N 2.91Å
85Q93.1Very high91.4Very high0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-62.8-42.6175.9-178.967.121.700111.7L81 A82 V89 G90 D91 T93 V96 S516 F519L81-Q85 PolarHBondContact O-N 2.99Å; A82-Q85 PolarHBondContact O-N 3.4Å; Q85-V89 WeakPolarHBondContact O-CA 3.46Å; Q85-V89 WeakPolarHBondContact O-CB 3.47Å; Q85-V89 PolarHBondContact O-N 2.91Å; Q85-G90 PolarHBondContact O-N 2.84Å; Q85-D91 WeakPolarHBondContact CG-O 3.03Å; Q85-D91 PolarHBondContact NE2-O 2.8Å; Q85-T93 HydrophobicContact CG-CG2 4.4Å; Q85-V96 HydrophobicContact CB-CG1 3.92Å; Q85-V96 HydrophobicContact CG-CG1 4.02Å; Q85-S516 PolarHBondContact NE2-OG 3.16Å; Q85-F519 VanDerWaalsContact OE1-CD2 3.27Å
86D90.8Very high91.5Very high49 Ų4937.4 Ų37.426%0.26219%0.186SC..Hα-helixtrans-61.6-49.9176.6-175.244.5000111.6A62 A82 E83 E88 G90 T93A62-D86 HydrophobicContact CB-CB 3.95Å; A82-D86 PolarHBondContact O-N 2.79Å; E83-D86 PolarHBondContact O-N 3.34Å; D86-E88 PolarHBondContact O-N 3.34Å; D86-G90 WeakPolarHBondContact O-CA 3.41Å; D86-G90 PolarHBondContact O-N 2.87Å; D86-T93 HydrophobicContact CB-CG2 3.77Å
87K89.1Confident91.7Very high139 Ų13931.8 Ų31.860%0.60416%0.162SC*.Hα-helixtrans-63.9-39.7178.6-69.3166.1-168158.80113E83 L84E83-K87 WeakPolarHBondContact O-CB 3.24Å; E83-K87 WeakPolarHBondContact O-CD 3.21Å; E83-K87 VanDerWaalsContact O-CG 3.26Å; E83-K87 WeakPolarHBondContact O-CG 3.41Å; E83-K87 PolarHBondContact O-N 3.2Å; E83-K87 IonicContact OE2-NZ 3.06Å; E83-K87 PolarHBondContact OE2-NZ 3.48Å; L84-K87 PolarHBondContact O-N 3.3Å
88E87.3Confident91.9Very high88 Ų8829.9 Ų29.941%0.41115%0.15SC..Hα-helixtrans-86-25.4-174-81.8-68134.300114.5L84 D86 R404 M511 K515 F519L84-E88 WeakPolarHBondContact O-CB 3.44Å; L84-E88 WeakPolarHBondContact O-CG 3.4Å; L84-E88 PolarHBondContact O-N 2.91Å; D86-E88 PolarHBondContact O-N 3.34Å; E88-R404 VanDerWaalsContact O-CZ 3.26Å; E88-R404 PolarHBondContact O-NH2 3.42Å; E88-M511 VanDerWaalsContact O-CE 3.31Å; E88-M511 WeakPolarHBondContact O-CE 3.15Å; E88-K515 IonicContact OE2-NZ 3.86Å; E88-K515 PolarHBondContact OE2-NZ 2.97Å; E88-F519 HydrophobicContact CB-CE2 4.28Å; E88-F519 HydrophobicContact CB-CZ 4.44Å; E88-F519 HydrophobicContact CG-CZ 4.28Å
89V86.2Confident92.1Very high2 Ų230.1 Ų30.11%0.01215%0.151CC..THydrogen-bonded Turntrans-130.8-48.4-173.4-175.40000110.7Q85 R404 M511 V512 K515Q85-V89 WeakPolarHBondContact O-CA 3.46Å; Q85-V89 WeakPolarHBondContact O-CB 3.47Å; Q85-V89 PolarHBondContact O-N 2.91Å; V89-R404 HydrophobicContact CG1-CG 4.43Å; V89-M511 HydrophobicContact CG2-CE 4.11Å; V89-V512 HydrophobicContact CG1-CB 4.04Å; V89-V512 HydrophobicContact CG1-CG1 4.37Å; V89-V512 HydrophobicContact CG1-CG2 3.36Å; V89-K515 HydrophobicContact CG2-CB 4.14Å; V89-K515 HydrophobicContact CG2-CD 3.66Å; V89-K515 HydrophobicContact CG2-CG 4.47Å
90G84.4Confident92.3Very high0 Ų029.4 Ų29.40%015%0.146CC..SBendtrans83.918.5-176.900000113.9Q85 D86 D397Q85-G90 PolarHBondContact O-N 2.84Å; D86-G90 WeakPolarHBondContact O-CA 3.41Å; D86-G90 PolarHBondContact O-N 2.87Å; G90-D397 WeakPolarHBondContact O-CA 3.49Å
91D87.4Confident92.5Very high35 Ų3525 Ų2519%0.18713%0.127CC..SBendtrans-159.7163.6172.9-167.717.7000110.3Q85 T93 V401 V512Q85-D91 WeakPolarHBondContact CG-O 3.03Å; Q85-D91 PolarHBondContact NE2-O 2.8Å; D91-T93 VanDerWaalsContact C-N 3.33Å; D91-V401 HydrophobicContact CB-CG2 3.51Å; D91-V401 VanDerWaalsContact OD2-CG2 3.27Å; D91-V401 WeakPolarHBondContact OD2-CG2 3.46Å; D91-V512 HydrophobicContact CB-CG2 4.42Å
92G89.9Confident92.6Very high10 Ų1026.4 Ų26.410%0.10313%0.133CC..  trans78.514.5179.500000114.3T94 S95 V96G92-T94 PolarHBondContact O-N 3.44Å; G92-S95 WeakPolarHBondContact CA-OG 3.37Å; G92-S95 PolarHBondContact O-N 2.66Å; G92-S95 PolarHBondContact O-OG 3.01Å; G92-V96 PolarHBondContact O-N 3.43Å
93T92.5Very high92.7Very high7 Ų726.4 Ų26.44%0.04313%0.133CC..Hα-helixtrans-56.6-44.8178.7550000111.9D60 A62 Q85 D86 D91 V96 V97D60-T93 PolarHBondContact OD1-OG1 3.17Å; A62-T93 HydrophobicContact CB-CG2 3.72Å; Q85-T93 HydrophobicContact CG-CG2 4.4Å; D86-T93 HydrophobicContact CB-CG2 3.77Å; D91-T93 VanDerWaalsContact C-N 3.33Å; T93-V96 WeakPolarHBondContact O-CG1 3.28Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å
94T93.6Very high92.8Very high14 Ų1423.9 Ų23.99%0.08612%0.121CC..Hα-helixtrans-66.5-44175.4-56.10000112V35 L39 G61 G92 V96 V97 I98V35-T94 HydrophobicContact CB-CG2 4.03Å; V35-T94 HydrophobicContact CG2-CG2 4.26Å; V35-T94 WeakPolarHBondContact O-CG2 3.27Å; L39-T94 HydrophobicContact CB-CG2 3.98Å; L39-T94 HydrophobicContact CD1-CG2 3.83Å; G61-T94 PolarHBondContact N-OG1 3.43Å; G92-T94 PolarHBondContact O-N 3.44Å; T94-V96 PolarHBondContact O-N 2.63Å; T94-V97 PolarHBondContact O-N 3.41Å; T94-I98 HydrophobicContact CG2-CD1 3.75Å; T94-I98 VanDerWaalsContact O-CG1 3.32Å; T94-I98 WeakPolarHBondContact O-CG1 3.44Å; T94-I98 PolarHBondContact O-N 3.29Å
95S94.4Very high92.9Very high12 Ų1223.7 Ų23.78%0.08412%0.116CC..Hα-helixtrans-66.3-39.6-175.4700000113G92 V97 I98 I99G92-S95 WeakPolarHBondContact CA-OG 3.37Å; G92-S95 PolarHBondContact O-N 2.66Å; G92-S95 PolarHBondContact O-OG 3.01Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 2.84Å; S95-I98 PolarHBondContact O-N 2.86Å; S95-I99 VanDerWaalsContact O-CG1 3.26Å; S95-I99 WeakPolarHBondContact O-CG1 3.36Å; S95-I99 PolarHBondContact O-N 3.12Å
96V96.1Very high93Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-65.3-36.9-177.867.50000111.6L81 Q85 G92 T93 T94 A100 S516 F519 A520L81-V96 HydrophobicContact CD1-CG2 3.88Å; L81-V96 HydrophobicContact CD2-CG2 3.95Å; L81-V96 HydrophobicContact CG-CG1 4.33Å; L81-V96 HydrophobicContact CG-CG2 3.9Å; Q85-V96 HydrophobicContact CB-CG1 3.92Å; Q85-V96 HydrophobicContact CG-CG1 4.02Å; G92-V96 PolarHBondContact O-N 3.43Å; T93-V96 WeakPolarHBondContact O-CG1 3.28Å; T94-V96 PolarHBondContact O-N 2.63Å; V96-A100 VanDerWaalsContact O-CB 3.3Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.25Å; V96-S516 WeakPolarHBondContact CG2-O 3.36Å; V96-F519 HydrophobicContact CG2-CB 4.21Å; V96-A520 HydrophobicContact CG2-CB 3.93Å
97V96.3Very high93.1Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-70.3-43.8178.3176.50000111.1I31 A32 V35 L65 L78 A82 T93 T94 S95 A100 A101I31-V97 HydrophobicContact CG2-CG1 4.11Å; A32-V97 HydrophobicContact CB-CG1 4.47Å; V35-V97 HydrophobicContact CG2-CB 4.32Å; V35-V97 HydrophobicContact CG2-CG1 4.05Å; L65-V97 HydrophobicContact CD1-CG1 4.38Å; L65-V97 HydrophobicContact CD1-CG2 3.71Å; L78-V97 HydrophobicContact CD1-CG1 4.46Å; A82-V97 HydrophobicContact CB-CG2 3.85Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T94-V97 PolarHBondContact O-N 3.41Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 2.84Å; V97-A100 PolarHBondContact O-N 2.9Å; V97-A101 WeakPolarHBondContact O-CB 3.17Å; V97-A101 PolarHBondContact O-N 3.04Å
98I96.9Very high93.3Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-65-43.4179.3-62.4169.2000110.6V35 K36 L39 T94 S95 A101 E102 V450 I451V35-I98 HydrophobicContact CG2-CD1 4.39Å; V35-I98 HydrophobicContact CG2-CG1 3.93Å; K36-I98 HydrophobicContact CG-CD1 3.91Å; K36-I98 HydrophobicContact CG-CG1 4Å; K36-I98 HydrophobicContact CG-CG2 4.31Å; L39-I98 HydrophobicContact CB-CD1 4.1Å; L39-I98 HydrophobicContact CD1-CD1 4.32Å; L39-I98 HydrophobicContact CD2-CD1 3.9Å; L39-I98 HydrophobicContact CG-CD1 4.32Å; T94-I98 HydrophobicContact CG2-CD1 3.75Å; T94-I98 VanDerWaalsContact O-CG1 3.32Å; T94-I98 WeakPolarHBondContact O-CG1 3.44Å; T94-I98 PolarHBondContact O-N 3.29Å; S95-I98 PolarHBondContact O-N 2.86Å; I98-A101 PolarHBondContact O-N 3.22Å; I98-E102 PolarHBondContact O-N 2.9Å; I98-V450 HydrophobicContact CG2-CB 4.42Å; I98-V450 HydrophobicContact CG2-CG1 3.78Å; I98-V450 HydrophobicContact CG2-CG2 3.74Å; I98-I451 HydrophobicContact CB-CD1 4.2Å; I98-I451 HydrophobicContact CG2-CD1 4.13Å
99I96.9Very high93.5Very high4 Ų415.6 Ų15.62%0.0218%0.08CC..Hα-helixtrans-63.4-46.1176.9-66.4165.9000110.3S95 A101 E102 L103 L448 I451 A520S95-I99 VanDerWaalsContact O-CG1 3.26Å; S95-I99 WeakPolarHBondContact O-CG1 3.36Å; S95-I99 PolarHBondContact O-N 3.12Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.4Å; I99-E102 PolarHBondContact O-N 3.24Å; I99-L103 HydrophobicContact CG2-CD1 3.91Å; I99-L103 HydrophobicContact CG2-CG 4.22Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.25Å; I99-L103 PolarHBondContact O-N 2.78Å; I99-L448 HydrophobicContact CG2-CD2 4.25Å; I99-I451 HydrophobicContact CD1-CD1 4.39Å; I99-I451 HydrophobicContact CD1-CG1 4.1Å; I99-I451 HydrophobicContact CG1-CD1 4.01Å; I99-I451 HydrophobicContact CG1-CG1 3.88Å; I99-A520 HydrophobicContact CB-CB 4.11Å; I99-A520 HydrophobicContact CG2-CB 3.79Å
100A96.8Very high93.8Very high0 Ų015.7 Ų15.70%08%0.081CC..Hα-helixtrans-60.2-43.2179.900000112.3L78 L81 V96 V97 L103 L104 A520 A523L78-A100 HydrophobicContact CD2-CB 3.68Å; L81-A100 HydrophobicContact CD2-CB 3.83Å; V96-A100 VanDerWaalsContact O-CB 3.3Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.25Å; V97-A100 PolarHBondContact O-N 2.9Å; A100-L103 PolarHBondContact O-N 3.19Å; A100-L104 WeakPolarHBondContact O-CG 3.45Å; A100-L104 PolarHBondContact O-N 2.92Å; A100-L104 VanDerWaalsContact O-N 3.09Å; A100-A520 HydrophobicContact CB-CB 4.03Å; A100-A523 HydrophobicContact CB-CB 4.49Å
101A96.3Very high94.1Very high4 Ų416.4 Ų16.43%0.0339%0.085CC..Hα-helixtrans-67.1-40177.900000112.7A32 V97 I98 I99 L104 K105A32-A101 HydrophobicContact CB-CB 3.34Å; V97-A101 WeakPolarHBondContact O-CB 3.17Å; V97-A101 PolarHBondContact O-N 3.04Å; I98-A101 PolarHBondContact O-N 3.22Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.4Å; A101-L104 PolarHBondContact O-N 2.9Å; A101-K105 PolarHBondContact O-N 2.87Å
102E96.5Very high94.2Very high40 Ų4019.3 Ų19.319%0.18710%0.096CC..Hα-helixtrans-67.8-39176.8-163.471.1-16600111.6I98 I99 L104 K105 S106 V450I98-E102 PolarHBondContact O-N 2.9Å; I99-E102 PolarHBondContact O-N 3.24Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.34Å; E102-K105 PolarHBondContact O-N 3.35Å; E102-S106 PolarHBondContact O-N 3.44Å; E102-V450 HydrophobicContact CB-CB 4.15Å; E102-V450 HydrophobicContact CB-CG1 4.01Å; E102-V450 HydrophobicContact CB-CG2 4.29Å; E102-V450 HydrophobicContact CG-CB 3.92Å; E102-V450 HydrophobicContact CG-CG1 4.27Å; E102-V450 HydrophobicContact CG-CG2 4.18Å
103L96.6Very high94.3Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-60.5-39.2174.4-74.2175.5000112.3I99 A100 A107 Y124 F444 A524I99-L103 HydrophobicContact CG2-CD1 3.91Å; I99-L103 HydrophobicContact CG2-CG 4.22Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 VanDerWaalsContact O-CG 3.27Å; I99-L103 WeakPolarHBondContact O-CG 3.25Å; I99-L103 PolarHBondContact O-N 2.78Å; A100-L103 PolarHBondContact O-N 3.19Å; L103-A107 VanDerWaalsContact O-CB 3.23Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 2.97Å; L103-Y124 HydrophobicContact CB-CE2 4.12Å; L103-Y124 HydrophobicContact CD2-CE2 4.16Å; L103-Y124 PolarHBondContact O-OH 2.93Å; L103-F444 HydrophobicContact CD1-CD2 4.33Å; L103-F444 HydrophobicContact CD1-CE2 3.87Å; L103-F444 HydrophobicContact CD2-CB 4.36Å; L103-F444 HydrophobicContact CD2-CD2 3.32Å; L103-F444 HydrophobicContact CD2-CE2 3.69Å; L103-F444 HydrophobicContact CD2-CG 3.92Å; L103-F444 HydrophobicContact CG-CD2 4.48Å; L103-F444 HydrophobicContact CG-CE2 4.47Å; L103-A524 HydrophobicContact CB-CB 3.93Å; L103-A524 HydrophobicContact CD1-CB 4.43Å
104L95.1Very high94.1Very high4 Ų432.8 Ų32.82%0.02115%0.153CC..Hα-helixtrans-66.5-42.8175.4-76.2169.9000112.1V25 A28 A100 A101 E102 A107 D108 A524 I527V25-L104 HydrophobicContact CG2-CB 4.45Å; A28-L104 HydrophobicContact CB-CD1 3.79Å; A100-L104 WeakPolarHBondContact O-CG 3.45Å; A100-L104 PolarHBondContact O-N 2.92Å; A100-L104 VanDerWaalsContact O-N 3.09Å; A101-L104 PolarHBondContact O-N 2.9Å; E102-L104 VanDerWaalsContact C-N 3.3Å; E102-L104 PolarHBondContact O-N 3.34Å; L104-A107 PolarHBondContact O-N 2.86Å; L104-D108 PolarHBondContact O-N 3.49Å; L104-A524 HydrophobicContact CD2-CB 4.14Å; L104-A524 WeakPolarHBondContact CD2-O 3.4Å; L104-A524 HydrophobicContact CG-CB 4.06Å; L104-I527 HydrophobicContact CD1-CB 4.23Å; L104-I527 HydrophobicContact CD1-CD1 3.71Å; L104-I527 HydrophobicContact CD1-CG2 4.1Å; L104-I527 HydrophobicContact CD2-CB 3.86Å; L104-I527 HydrophobicContact CD2-CG2 3.8Å
105K95.3Very high94Very high89 Ų8932.9 Ų32.939%0.38715%0.153SC..Hα-helixtrans-61.8-49.3177.2-174.9-175.3172.2-167.10111.5V25 A101 E102 A107 D108 E109V25-K105 HydrophobicContact CG1-CB 4.2Å; V25-K105 HydrophobicContact CG1-CG 4.49Å; A101-K105 PolarHBondContact O-N 2.87Å; E102-K105 PolarHBondContact O-N 3.35Å; K105-A107 VanDerWaalsContact C-N 3.32Å; K105-A107 PolarHBondContact O-N 2.96Å; K105-D108 PolarHBondContact O-N 3.43Å; K105-E109 PolarHBondContact O-N 2.87Å
106S94.2Very high93.8Very high6 Ų637.8 Ų37.84%0.04217%0.174CC..Hα-helixtrans-62.4-37.8175.4-75.90000112.4E102 D108 E109 L110 E443 S447E102-S106 PolarHBondContact O-N 3.44Å; S106-D108 PolarHBondContact O-N 2.8Å; S106-E109 PolarHBondContact O-N 2.96Å; S106-L110 PolarHBondContact O-N 3.32Å; S106-E443 PolarHBondContact OG-OE2 3.01Å; S106-S447 WeakPolarHBondContact CB-OG 3.4Å; S106-S447 PolarHBondContact OG-OG 3.38Å
107A93.7Very high93.5Very high0 Ų039 Ų390%018%0.182CC..Hα-helixtrans-65.4-39.2177.500000112.4L103 L104 K105 E109 L110 V111 V120 Y124 L528L103-A107 VanDerWaalsContact O-CB 3.23Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 2.97Å; L104-A107 PolarHBondContact O-N 2.86Å; K105-A107 VanDerWaalsContact C-N 3.32Å; K105-A107 PolarHBondContact O-N 2.96Å; A107-E109 VanDerWaalsContact C-N 3.33Å; A107-E109 PolarHBondContact O-N 3.08Å; A107-L110 PolarHBondContact O-N 3.42Å; A107-V111 WeakPolarHBondContact O-CG2 3.23Å; A107-V111 PolarHBondContact O-N 3.38Å; A107-V120 HydrophobicContact CB-CG1 3.99Å; A107-Y124 HydrophobicContact CB-CE2 4.03Å; A107-Y124 PolarHBondContact N-OH 3.29Å; A107-L528 HydrophobicContact CB-CD1 3.99Å; A107-L528 HydrophobicContact CB-CD2 3.85Å
108D92.1Very high93.3Very high10 Ų1042.7 Ų42.75%0.05321%0.205CC..Hα-helixtrans-64.4-37.6177.6-174.463.7000112.2V25 L104 K105 S106 L110 V111 K112V25-D108 HydrophobicContact CG2-CB 3.73Å; L104-D108 PolarHBondContact O-N 3.49Å; K105-D108 PolarHBondContact O-N 3.43Å; S106-D108 PolarHBondContact O-N 2.8Å; D108-L110 PolarHBondContact O-N 3.11Å; D108-V111 PolarHBondContact O-N 2.69Å; D108-K112 WeakPolarHBondContact O-CG 3.47Å; D108-K112 PolarHBondContact O-N 2.89Å; D108-K112 VanDerWaalsContact OD2-CE 3.27Å; D108-K112 WeakPolarHBondContact OD2-CE 2.87Å; D108-K112 IonicContact OD2-NZ 2.76Å; D108-K112 PolarHBondContact OD2-NZ 2.96Å
109E92.1Very high93.1Very high91 Ų9144.5 Ų44.543%0.42522%0.217SC..Hα-helixtrans-61.7-41.3172.9-69-177.1-169.900112K105 S106 A107 K112 Q113K105-E109 PolarHBondContact O-N 2.87Å; S106-E109 PolarHBondContact O-N 2.96Å; A107-E109 VanDerWaalsContact C-N 3.33Å; A107-E109 PolarHBondContact O-N 3.08Å; E109-K112 WeakPolarHBondContact O-CB 3.49Å; E109-K112 PolarHBondContact O-N 3.07Å; E109-Q113 WeakPolarHBondContact O-CG 3.37Å; E109-Q113 PolarHBondContact O-N 3.11Å
110L92.4Very high92.9Very high4 Ų444.3 Ų44.32%0.02122%0.216CC..Hα-helixtrans-66-39.1175-67174.9000112.4S106 A107 D108 K112 Q113 I115 V120 L439 A440 E443S106-L110 PolarHBondContact O-N 3.32Å; A107-L110 PolarHBondContact O-N 3.42Å; D108-L110 PolarHBondContact O-N 3.11Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-Q113 CarbonylContact O-C 3.56Å; L110-Q113 WeakPolarHBondContact O-CB 3.41Å; L110-Q113 PolarHBondContact O-N 3.1Å; L110-Q113 VanDerWaalsContact O-N 3.16Å; L110-I115 HydrophobicContact CB-CD1 4.17Å; L110-I115 HydrophobicContact CD2-CD1 3.84Å; L110-I115 WeakPolarHBondContact O-CB 3.26Å; L110-I115 PolarHBondContact O-N 3.46Å; L110-V120 HydrophobicContact CB-CG2 4.02Å; L110-V120 HydrophobicContact CD1-CG1 3.99Å; L110-V120 HydrophobicContact CD1-CG2 4.12Å; L110-L439 HydrophobicContact CD2-CB 4.11Å; L110-A440 HydrophobicContact CD1-CB 4.29Å; L110-E443 HydrophobicContact CD1-CB 3.99Å; L110-E443 HydrophobicContact CD1-CG 3.99Å; L110-E443 HydrophobicContact CD2-CG 3.87Å; L110-E443 HydrophobicContact CG-CG 4.02Å
111V91.1Very high92.8Very high15 Ų1544.9 Ų44.99%0.09122%0.219CC..Hα-helixtrans-66.7-37.6177.4173.60000111.1A107 D108 Q113 K114 P117 L528A107-V111 WeakPolarHBondContact O-CG2 3.23Å; A107-V111 PolarHBondContact O-N 3.38Å; D108-V111 PolarHBondContact O-N 2.69Å; V111-Q113 PolarHBondContact O-N 2.87Å; V111-K114 WeakPolarHBondContact O-CA 3.35Å; V111-K114 PolarHBondContact O-N 2.89Å; V111-P117 HydrophobicContact CG1-CG 4.43Å; V111-P117 HydrophobicContact CG2-CB 4.45Å; V111-P117 HydrophobicContact CG2-CG 3.93Å; V111-L528 HydrophobicContact CG2-CD1 4.28Å
112K90.2Very high92.7Very high96 Ų9647 Ų4742%0.41723%0.234SC..Hα-helixtrans-60.2-33.6171.7-78.3167173.5157.80112.4D108 E109 L110 K114D108-K112 WeakPolarHBondContact O-CG 3.47Å; D108-K112 PolarHBondContact O-N 2.89Å; D108-K112 VanDerWaalsContact OD2-CE 3.27Å; D108-K112 WeakPolarHBondContact OD2-CE 2.87Å; D108-K112 IonicContact OD2-NZ 2.76Å; D108-K112 PolarHBondContact OD2-NZ 2.96Å; E109-K112 WeakPolarHBondContact O-CB 3.49Å; E109-K112 PolarHBondContact O-N 3.07Å; L110-K112 VanDerWaalsContact C-N 3.34Å; K112-K114 PolarHBondContact O-N 3.48Å; K112-K114 VanDerWaalsContact O-N 3.1Å
113Q90.4Very high92.5Very high124 Ų12445.1 Ų45.158%0.57923%0.225SC*.THydrogen-bonded Turntrans-74.614.4171.5-63.7173.81900113.9E109 L110 V111 I115E109-Q113 WeakPolarHBondContact O-CG 3.37Å; E109-Q113 PolarHBondContact O-N 3.11Å; L110-Q113 CarbonylContact O-C 3.56Å; L110-Q113 WeakPolarHBondContact O-CB 3.41Å; L110-Q113 PolarHBondContact O-N 3.1Å; L110-Q113 VanDerWaalsContact O-N 3.16Å; V111-Q113 PolarHBondContact O-N 2.87Å; Q113-I115 VanDerWaalsContact C-N 3.26Å; Q113-I115 PolarHBondContact O-N 2.8Å
114K89.1Confident92.5Very high176 Ų17645.2 Ų45.277%0.76523%0.225SC*.THydrogen-bonded Turntrans65.422.2179.2-52.2-61.3-175.2-172.60114.4V111 K112V111-K114 WeakPolarHBondContact O-CA 3.35Å; V111-K114 PolarHBondContact O-N 2.89Å; K112-K114 PolarHBondContact O-N 3.48Å; K112-K114 VanDerWaalsContact O-N 3.1Å
115I90.6Very high92.5Very high15 Ų1551.3 Ų51.38%0.07725%0.248CC..  trans-80.9130.6169.3-57.7170.3000108.4L110 Q113 V120 L439L110-I115 HydrophobicContact CB-CD1 4.17Å; L110-I115 HydrophobicContact CD2-CD1 3.84Å; L110-I115 WeakPolarHBondContact O-CB 3.26Å; L110-I115 PolarHBondContact O-N 3.46Å; Q113-I115 VanDerWaalsContact C-N 3.26Å; Q113-I115 PolarHBondContact O-N 2.8Å; I115-V120 HydrophobicContact CG2-CG2 3.85Å; I115-L439 HydrophobicContact CD1-CB 4.3Å; I115-L439 HydrophobicContact CD1-CD1 3.67Å
116H90.4Very high92.5Very high116 Ų11649.4 Ų49.454%0.53724%0.242SC..  trans-66.3133.9-179.3-165.3-84.6000110.6T118 S119 V120H116-T118 PolarHBondContact CE1-OG1 2.73Å; H116-T118 WeakPolarHBondContact ND1-CB 3.21Å; H116-T118 PolarHBondContact ND1-N 2.89Å; H116-T118 PolarHBondContact ND1-OG1 2.88Å; H116-T118 PolarHBondContact O-N 2.93Å; H116-T118 VanDerWaalsContact O-N 3.1Å; H116-S119 WeakPolarHBondContact O-CB 3.31Å; H116-S119 PolarHBondContact O-N 3.44Å; H116-V120 PolarHBondContact O-N 3.38Å
117P91.4Very high92.6Very high24 Ų2449.1 Ų49.116%0.15624%0.24CC..Hα-helixtrans-51.1-38.7-178.6-29.734.3000114.1V111 S119 V120 I121 L528V111-P117 HydrophobicContact CG1-CG 4.43Å; V111-P117 HydrophobicContact CG2-CB 4.45Å; V111-P117 HydrophobicContact CG2-CG 3.93Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.09Å; P117-V120 WeakPolarHBondContact O-CB 3.07Å; P117-V120 PolarHBondContact O-N 3.28Å; P117-V120 VanDerWaalsContact O-N 3.11Å; P117-I121 VanDerWaalsContact O-CG1 3.28Å; P117-I121 WeakPolarHBondContact O-CG1 3.4Å; P117-I121 PolarHBondContact O-N 3.29Å; P117-L528 HydrophobicContact CB-CG 4.23Å
118T91.6Very high92.7Very high79 Ų7949.7 Ų49.749%0.48524%0.243SC..Hα-helixtrans-58.8-35.8176.9-44.20000113.7H116 S122H116-T118 PolarHBondContact CE1-OG1 2.73Å; H116-T118 WeakPolarHBondContact ND1-CB 3.21Å; H116-T118 PolarHBondContact ND1-N 2.89Å; H116-T118 PolarHBondContact ND1-OG1 2.88Å; H116-T118 PolarHBondContact O-N 2.93Å; H116-T118 VanDerWaalsContact O-N 3.1Å; T118-S122 WeakPolarHBondContact O-CB 3.49Å; T118-S122 PolarHBondContact O-N 3.49Å; T118-S122 PolarHBondContact O-OG 2.93Å
119S92.3Very high92.9Very high37 Ų3756.4 Ų56.426%0.25927%0.272SS..Hα-helixtrans-71.1-37.8176.8-56.60000110.8H116 P117 S122 G123H116-S119 WeakPolarHBondContact O-CB 3.31Å; H116-S119 PolarHBondContact O-N 3.44Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.09Å; S119-S122 PolarHBondContact O-N 3.41Å; S119-G123 PolarHBondContact O-N 3.49Å
120V93.6Very high93Very high0 Ų052.7 Ų52.70%026%0.255CS..Hα-helixtrans-62.9-46.7173.1-175.90000110.7A107 L110 I115 H116 P117 S122 G123 Y124 A440 L528A107-V120 HydrophobicContact CB-CG1 3.99Å; L110-V120 HydrophobicContact CB-CG2 4.02Å; L110-V120 HydrophobicContact CD1-CG1 3.99Å; L110-V120 HydrophobicContact CD1-CG2 4.12Å; I115-V120 HydrophobicContact CG2-CG2 3.85Å; H116-V120 PolarHBondContact O-N 3.38Å; P117-V120 WeakPolarHBondContact O-CB 3.07Å; P117-V120 PolarHBondContact O-N 3.28Å; P117-V120 VanDerWaalsContact O-N 3.11Å; V120-S122 VanDerWaalsContact C-N 3.31Å; V120-S122 PolarHBondContact O-N 3.18Å; V120-G123 PolarHBondContact O-N 2.94Å; V120-Y124 HydrophobicContact CG1-CD1 4.18Å; V120-Y124 HydrophobicContact CG1-CD2 4.44Å; V120-Y124 HydrophobicContact CG1-CE1 3.85Å; V120-Y124 HydrophobicContact CG1-CE2 4.15Å; V120-Y124 HydrophobicContact CG1-CG 4.48Å; V120-Y124 PolarHBondContact O-N 3.44Å; V120-A440 HydrophobicContact CB-CB 4.49Å; V120-A440 HydrophobicContact CG1-CB 4.28Å; V120-L528 HydrophobicContact CB-CD2 4.25Å; V120-L528 HydrophobicContact CG1-CD2 4.11Å
121I94.2Very high93.2Very high13 Ų1352.5 Ų52.57%0.06725%0.254CS..Hα-helixtrans-57.5-44176.7-68.6166.3000111.3P117 Y124 R125 I525 L528 R529P117-I121 VanDerWaalsContact O-CG1 3.28Å; P117-I121 WeakPolarHBondContact O-CG1 3.4Å; P117-I121 PolarHBondContact O-N 3.29Å; I121-Y124 PolarHBondContact O-N 3.46Å; I121-R125 WeakPolarHBondContact O-CG 3.2Å; I121-R125 PolarHBondContact O-N 3.47Å; I121-I525 HydrophobicContact CB-CG1 4.48Å; I121-I525 HydrophobicContact CD1-CG2 4.23Å; I121-I525 HydrophobicContact CG1-CG1 4.28Å; I121-I525 HydrophobicContact CG1-CG2 4.16Å; I121-I525 HydrophobicContact CG2-CB 4.48Å; I121-I525 HydrophobicContact CG2-CD1 4.07Å; I121-I525 HydrophobicContact CG2-CG1 3.97Å; I121-I525 HydrophobicContact CG2-CG2 3.72Å; I121-L528 HydrophobicContact CD1-CD2 4.45Å; I121-L528 HydrophobicContact CG1-CD2 3.86Å; I121-R529 HydrophobicContact CD1-CG 3.6Å
122S92.9Very high93.3Very high49 Ų4952.6 Ų52.634%0.34326%0.255SS..Hα-helixtrans-65.1-43.7179.7-56.60000111.2T118 S119 V120 R125 L126T118-S122 WeakPolarHBondContact O-CB 3.49Å; T118-S122 PolarHBondContact O-N 3.49Å; T118-S122 PolarHBondContact O-OG 2.93Å; S119-S122 PolarHBondContact O-N 3.41Å; V120-S122 VanDerWaalsContact C-N 3.31Å; V120-S122 PolarHBondContact O-N 3.18Å; S122-R125 PolarHBondContact O-N 3.43Å; S122-L126 PolarHBondContact O-N 2.92Å
123G94.2Very high93.6Very high0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-61-44.3173.500000113.2S119 V120 R125 L126 A127S119-G123 PolarHBondContact O-N 3.49Å; V120-G123 PolarHBondContact O-N 2.94Å; G123-R125 PolarHBondContact O-N 3.18Å; G123-L126 PolarHBondContact O-N 3.17Å; G123-A127 WeakPolarHBondContact O-CB 3.33Å; G123-A127 PolarHBondContact O-N 3.33Å
124Y95.9Very high93.7Very high1 Ų147.9 Ų47.90%0.00423%0.229CC..Hα-helixtrans-64-40.5177.4-77.89.8000112.4L103 A107 V120 I121 A127 C128 A440 F444L103-Y124 HydrophobicContact CB-CE2 4.12Å; L103-Y124 HydrophobicContact CD2-CE2 4.16Å; L103-Y124 PolarHBondContact O-OH 2.93Å; A107-Y124 HydrophobicContact CB-CE2 4.03Å; A107-Y124 PolarHBondContact N-OH 3.29Å; V120-Y124 HydrophobicContact CG1-CD1 4.18Å; V120-Y124 HydrophobicContact CG1-CD2 4.44Å; V120-Y124 HydrophobicContact CG1-CE1 3.85Å; V120-Y124 HydrophobicContact CG1-CE2 4.15Å; V120-Y124 HydrophobicContact CG1-CG 4.48Å; V120-Y124 PolarHBondContact O-N 3.44Å; I121-Y124 PolarHBondContact O-N 3.46Å; Y124-A127 PolarHBondContact O-N 3.37Å; Y124-C128 VanDerWaalsContact O-CB 3.29Å; Y124-C128 WeakPolarHBondContact O-CB 3.05Å; Y124-C128 PolarHBondContact O-N 2.95Å; Y124-A440 HydrophobicContact CD1-CB 4.33Å; Y124-A440 HydrophobicContact CE1-CB 4.45Å; Y124-A440 VanDerWaalsContact CE1-O 3.27Å; Y124-A440 WeakPolarHBondContact CE1-O 3.48Å; Y124-F444 HydrophobicContact CD1-CB 3.87Å; Y124-F444 AromaticContact CD1-CD2 3.8Å; Y124-F444 HydrophobicContact CD1-CD2 3.8Å; Y124-F444 HydrophobicContact CD1-CG 4.31Å; Y124-F444 HydrophobicContact CD2-CD2 4.35Å; Y124-F444 HydrophobicContact CE1-CB 3.88Å; Y124-F444 HydrophobicContact CE1-CD2 4.26Å; Y124-F444 AromaticContact CG-CD2 3.85Å; Y124-F444 HydrophobicContact CG-CD2 3.85Å
125R95.4Very high93.9Very high133 Ų13339.5 Ų39.550%0.50219%0.193SC..Hα-helixtrans-62.8-42.4174.6-76.6-179171.2176.1-2.7111.9I121 S122 G123 K129 I525I121-R125 WeakPolarHBondContact O-CG 3.2Å; I121-R125 PolarHBondContact O-N 3.47Å; S122-R125 PolarHBondContact O-N 3.43Å; G123-R125 PolarHBondContact O-N 3.18Å; R125-K129 PolarHBondContact O-N 3.42Å; R125-I525 HydrophobicContact CG-CD1 3.65Å
126L94.5Very high93.9Very high49 Ų4943 Ų4326%0.25721%0.212SC..Hα-helixtrans-65.9-46.9177.4-174.659.3000111.1S122 G123 C128 K129 E130 Y429 M433 I441S122-L126 PolarHBondContact O-N 2.92Å; G123-L126 PolarHBondContact O-N 3.17Å; L126-C128 VanDerWaalsContact C-N 3.35Å; L126-C128 PolarHBondContact O-N 2.8Å; L126-K129 PolarHBondContact O-N 3.1Å; L126-E130 HydrophobicContact CD1-CG 4.48Å; L126-E130 WeakPolarHBondContact O-CG 3.39Å; L126-E130 PolarHBondContact O-N 3Å; L126-Y429 HydrophobicContact CD2-CE1 4.28Å; L126-Y429 HydrophobicContact CG-CE1 4.23Å; L126-M433 HydrophobicContact CD2-SD 4.31Å; L126-I441 HydrophobicContact CD2-CD1 4.12Å
127A95.6Very high93.8Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-57.7-45.3176.300000111.9G123 Y124 K129 E130 A131 L426 I441 F444G123-A127 WeakPolarHBondContact O-CB 3.33Å; G123-A127 PolarHBondContact O-N 3.33Å; Y124-A127 PolarHBondContact O-N 3.37Å; A127-K129 PolarHBondContact O-N 3.41Å; A127-E130 PolarHBondContact O-N 3.36Å; A127-A131 VanDerWaalsContact O-CB 3.24Å; A127-A131 WeakPolarHBondContact O-CB 3.33Å; A127-A131 PolarHBondContact O-N 3.37Å; A127-L426 HydrophobicContact CB-CD1 4.49Å; A127-L426 HydrophobicContact CB-CD2 4.41Å; A127-I441 HydrophobicContact CB-CB 4.49Å; A127-I441 HydrophobicContact CB-CG1 4.26Å; A127-I441 HydrophobicContact CB-CG2 4.11Å; A127-F444 HydrophobicContact CB-CB 4.09Å; A127-F444 HydrophobicContact CB-CD1 3.67Å; A127-F444 HydrophobicContact CB-CD2 4.25Å; A127-F444 HydrophobicContact CB-CE1 4.13Å; A127-F444 HydrophobicContact CB-CG 3.74Å
128C96.2Very high93.4Very high11 Ų1145.3 Ų45.37%0.07422%0.222CC..Hα-helixtrans-63.3-41.8178-175.60000112.2Y124 L126 A131 V132 F444 T521Y124-C128 VanDerWaalsContact O-CB 3.29Å; Y124-C128 WeakPolarHBondContact O-CB 3.05Å; Y124-C128 PolarHBondContact O-N 2.95Å; L126-C128 VanDerWaalsContact C-N 3.35Å; L126-C128 PolarHBondContact O-N 2.8Å; C128-A131 PolarHBondContact O-N 3.28Å; C128-V132 VanDerWaalsContact O-CG2 3.31Å; C128-V132 WeakPolarHBondContact O-CG2 3.26Å; C128-V132 PolarHBondContact O-N 3.15Å; C128-F444 HydrophobicContact CB-CZ 4.27Å; C128-T521 HydrophobicContact CB-CG2 4.1Å
129K95.8Very high93.1Very high152 Ų15241.6 Ų41.666%0.66120%0.199SC*.Hα-helixtrans-61.8-46.3176.5-173.3-179178.7-174.90111.6R125 L126 A127 V132 R133R125-K129 PolarHBondContact O-N 3.42Å; L126-K129 PolarHBondContact O-N 3.1Å; A127-K129 PolarHBondContact O-N 3.41Å; K129-V132 PolarHBondContact O-N 2.99Å; K129-R133 PolarHBondContact O-N 2.98Å; K129-R133 VanDerWaalsContact O-N 3.09Å
130E95.3Very high92.8Very high12 Ų1241.9 Ų41.96%0.05620%0.2CC..Hα-helixtrans-67.8-38.1178.6-72.2-62.8124.800112.4L126 A127 R133 Y134 Y425 L426 Y429L126-E130 HydrophobicContact CD1-CG 4.48Å; L126-E130 WeakPolarHBondContact O-CG 3.39Å; L126-E130 PolarHBondContact O-N 3Å; A127-E130 PolarHBondContact O-N 3.36Å; E130-R133 VanDerWaalsContact CD-NH1 3.27Å; E130-R133 PolarHBondContact O-N 3.06Å; E130-R133 IonicContact OE1-CZ 2.69Å; E130-R133 IonicContact OE1-NH1 3.07Å; E130-R133 PolarHBondContact OE1-NH1 3.01Å; E130-R133 IonicContact OE1-NH2 2.89Å; E130-R133 IonicContact OE2-CZ 3.17Å; E130-R133 IonicContact OE2-NE 2.75Å; E130-R133 IonicContact OE2-NH1 2.89Å; E130-R133 PolarHBondContact OE2-NH1 2.87Å; E130-R133 IonicContact OE2-NH2 3.83Å; E130-R133 PolarHBondContact OE2-NH2 3.26Å; E130-Y134 WeakPolarHBondContact O-CB 3.29Å; E130-Y134 PolarHBondContact O-N 3.05Å; E130-Y425 HydrophobicContact CB-CE1 4.4Å; E130-Y425 PolarHBondContact OE2-OH 2.83Å; E130-L426 HydrophobicContact CB-CD2 4.1Å; E130-Y429 HydrophobicContact CG-CD1 4.3Å; E130-Y429 HydrophobicContact CG-CE1 3.74Å; E130-Y429 HydrophobicContact CG-CE2 4.17Å
131A95.6Very high92.5Very high0 Ų042.3 Ų42.30%020%0.202CC..Hα-helixtrans-61.6-46.5175.100000112A127 C128 R133 Y134 I135 L422 L426 L517A127-A131 VanDerWaalsContact O-CB 3.24Å; A127-A131 WeakPolarHBondContact O-CB 3.33Å; A127-A131 PolarHBondContact O-N 3.37Å; C128-A131 PolarHBondContact O-N 3.28Å; A131-R133 VanDerWaalsContact C-N 3.32Å; A131-R133 PolarHBondContact O-N 2.92Å; A131-Y134 PolarHBondContact O-N 2.85Å; A131-I135 WeakPolarHBondContact O-CG1 3.46Å; A131-I135 PolarHBondContact O-N 3.04Å; A131-L422 HydrophobicContact CB-CD1 4.23Å; A131-L422 HydrophobicContact CB-CD2 3.76Å; A131-L426 HydrophobicContact CB-CD1 4.24Å; A131-L517 HydrophobicContact CB-CD1 4.34Å
132V95Very high92Very high18 Ų1843.7 Ų43.711%0.10922%0.215CC..Hα-helixtrans-63.7-39.7177.61720000111C128 K129 I135 N136 T514 K518C128-V132 VanDerWaalsContact O-CG2 3.31Å; C128-V132 WeakPolarHBondContact O-CG2 3.26Å; C128-V132 PolarHBondContact O-N 3.15Å; K129-V132 PolarHBondContact O-N 2.99Å; V132-I135 PolarHBondContact O-N 2.64Å; V132-N136 PolarHBondContact O-N 3.13Å; V132-N136 PolarHBondContact O-ND2 2.76Å; V132-T514 HydrophobicContact CG1-CG2 4.24Å; V132-K518 HydrophobicContact CG2-CG 4.47Å
133R95.1Very high91.2Very high103 Ų10342.2 Ų42.239%0.38920%0.204SC..Hα-helixtrans-60.2-49.7174.6-168.6-177.877-155.95110.9K129 E130 A131 I135 N136 E137 Y425K129-R133 PolarHBondContact O-N 2.98Å; K129-R133 VanDerWaalsContact O-N 3.09Å; E130-R133 VanDerWaalsContact CD-NH1 3.27Å; E130-R133 PolarHBondContact O-N 3.06Å; E130-R133 IonicContact OE1-CZ 2.69Å; E130-R133 IonicContact OE1-NH1 3.07Å; E130-R133 PolarHBondContact OE1-NH1 3.01Å; E130-R133 IonicContact OE1-NH2 2.89Å; E130-R133 IonicContact OE2-CZ 3.17Å; E130-R133 IonicContact OE2-NE 2.75Å; E130-R133 IonicContact OE2-NH1 2.89Å; E130-R133 PolarHBondContact OE2-NH1 2.87Å; E130-R133 IonicContact OE2-NH2 3.83Å; E130-R133 PolarHBondContact OE2-NH2 3.26Å; A131-R133 VanDerWaalsContact C-N 3.32Å; A131-R133 PolarHBondContact O-N 2.92Å; R133-I135 PolarHBondContact O-N 3.32Å; R133-N136 PolarHBondContact O-N 3.47Å; R133-E137 VanDerWaalsContact CG-OE1 3.24Å; R133-E137 WeakPolarHBondContact CG-OE1 3.42Å; R133-E137 WeakPolarHBondContact O-CG 3.29Å; R133-E137 PolarHBondContact O-N 2.85Å; R133-E137 VanDerWaalsContact O-N 3.08Å; R133-Y425 PolarHBondContact NH2-OH 2.68Å; R133-Y425 VanDerWaalsContact NH2-OH 3.12Å
134Y93.9Very high90.2Very high18 Ų1847.9 Ų47.97%0.07124%0.235CC..Hα-helixtrans-60.9-40.9179.8-175.3-94.5000113E130 A131 N136 E137 N138 L139 A421 L422 Y425 Q478E130-Y134 WeakPolarHBondContact O-CB 3.29Å; E130-Y134 PolarHBondContact O-N 3.05Å; A131-Y134 PolarHBondContact O-N 2.85Å; Y134-N136 PolarHBondContact O-N 2.68Å; Y134-E137 PolarHBondContact O-N 3.34Å; Y134-N138 HydrophobicContact CD2-CB 4.18Å; Y134-N138 WeakPolarHBondContact CD2-ND2 3.32Å; Y134-N138 HydrophobicContact CE1-CB 4.26Å; Y134-N138 HydrophobicContact CE2-CB 3.85Å; Y134-N138 VanDerWaalsContact CE2-ND2 3.3Å; Y134-N138 WeakPolarHBondContact CE2-ND2 3.43Å; Y134-N138 WeakPolarHBondContact O-CB 3.37Å; Y134-N138 PolarHBondContact O-N 3.17Å; Y134-L139 HydrophobicContact CD1-CD1 3.88Å; Y134-L139 HydrophobicContact CD1-CG 4.2Å; Y134-L139 HydrophobicContact CE1-CD1 3.7Å; Y134-L139 HydrophobicContact CE1-CD2 4.31Å; Y134-L139 HydrophobicContact CE1-CG 3.79Å; Y134-A421 HydrophobicContact CE1-CB 4.19Å; Y134-L422 HydrophobicContact CD1-CD2 3.79Å; Y134-L422 HydrophobicContact CG-CD2 4.39Å; Y134-Y425 AromaticContact CD2-CD1 3.89Å; Y134-Y425 HydrophobicContact CD2-CD1 3.89Å; Y134-Y425 AromaticContact CD2-CD2 3.44Å; Y134-Y425 HydrophobicContact CD2-CD2 3.44Å; Y134-Y425 VanDerWaalsContact CD2-CD2 3.44Å; Y134-Y425 HydrophobicContact CD2-CE1 4.04Å; Y134-Y425 AromaticContact CD2-CE2 3.6Å; Y134-Y425 HydrophobicContact CD2-CE2 3.6Å; Y134-Y425 AromaticContact CD2-CG 3.6Å; Y134-Y425 HydrophobicContact CD2-CG 3.6Å; Y134-Y425 AromaticContact CD2-CZ 3.91Å; Y134-Y425 AromaticContact CE2-CD2 3.58Å; Y134-Y425 HydrophobicContact CE2-CD2 3.58Å; Y134-Y425 HydrophobicContact CE2-CE2 4.07Å; Y134-Y425 AromaticContact CE2-CG 3.88Å; Y134-Y425 HydrophobicContact CE2-CG 3.88Å; Y134-Y425 AromaticContact CG-CD1 3.89Å; Y134-Y425 HydrophobicContact CG-CD1 3.89Å; Y134-Y425 HydrophobicContact CG-CD2 4.26Å; Y134-Y425 HydrophobicContact CG-CE1 4.14Å; Y134-Y425 HydrophobicContact CG-CE2 4.48Å; Y134-Y425 AromaticContact CG-CG 3.95Å; Y134-Y425 HydrophobicContact CG-CG 3.95Å; Y134-Q478 PolarHBondContact OH-NE2 3.34Å
135I92.9Very high88.7Confident0 Ų054.1 Ų54.10%027%0.268CS..Iπ-helixtrans-57.8-49.1176.1-73.2163.1000110.9A131 V132 R133 L139 T140 V412 V418 L422 T510 K513 T514 L517A131-I135 WeakPolarHBondContact O-CG1 3.46Å; A131-I135 PolarHBondContact O-N 3.04Å; V132-I135 PolarHBondContact O-N 2.64Å; R133-I135 PolarHBondContact O-N 3.32Å; I135-L139 HydrophobicContact CG1-CD1 4.36Å; I135-L139 PolarHBondContact O-N 2.79Å; I135-T140 PolarHBondContact O-N 2.88Å; I135-T140 PolarHBondContact O-OG1 3.27Å; I135-V412 HydrophobicContact CG2-CG1 4.05Å; I135-V418 HydrophobicContact CD1-CG1 4.2Å; I135-V418 HydrophobicContact CG1-CG1 4.06Å; I135-L422 HydrophobicContact CD1-CD1 3.98Å; I135-L422 HydrophobicContact CG1-CD1 4.23Å; I135-L422 HydrophobicContact CG1-CD2 4.25Å; I135-T510 HydrophobicContact CG2-CG2 3.58Å; I135-K513 HydrophobicContact CD1-CB 4.47Å; I135-T514 HydrophobicContact CB-CG2 4.45Å; I135-T514 HydrophobicContact CD1-CG2 4.25Å; I135-T514 HydrophobicContact CG2-CG2 3.97Å; I135-L517 HydrophobicContact CD1-CD1 3.69Å
136N90.6Very high87.2Confident89 Ų8950 Ų5048%0.47626%0.256SS..Iπ-helixtrans-67.6-37.7-175.5-68-24.8000112.2V132 R133 Y134V132-N136 PolarHBondContact O-N 3.13Å; V132-N136 PolarHBondContact O-ND2 2.76Å; R133-N136 PolarHBondContact O-N 3.47Å; Y134-N136 PolarHBondContact O-N 2.68Å
137E88.6Confident86.5Confident125 Ų12549.7 Ų49.758%0.58426%0.264SS*.Iπ-helixtrans-83.9-38.6-175.9-69.3171.7-177.600113.1R133 Y134R133-E137 VanDerWaalsContact CG-OE1 3.24Å; R133-E137 WeakPolarHBondContact CG-OE1 3.42Å; R133-E137 WeakPolarHBondContact O-CG 3.29Å; R133-E137 PolarHBondContact O-N 2.85Å; R133-E137 VanDerWaalsContact O-N 3.08Å; Y134-E137 PolarHBondContact O-N 3.34Å
138N83.1Confident86.1Confident63 Ų6355.5 Ų55.534%0.33729%0.286SS..Iπ-helixtrans-118.4-22.3-163.8-64.9-53.8000115.1Y134 K487Y134-N138 HydrophobicContact CD2-CB 4.18Å; Y134-N138 WeakPolarHBondContact CD2-ND2 3.32Å; Y134-N138 HydrophobicContact CE1-CB 4.26Å; Y134-N138 HydrophobicContact CE2-CB 3.85Å; Y134-N138 VanDerWaalsContact CE2-ND2 3.3Å; Y134-N138 WeakPolarHBondContact CE2-ND2 3.43Å; Y134-N138 WeakPolarHBondContact O-CB 3.37Å; Y134-N138 PolarHBondContact O-N 3.17Å; N138-K487 VanDerWaalsContact O-CE 3.28Å; N138-K487 WeakPolarHBondContact O-CE 3.48Å; N138-K487 PolarHBondContact O-NZ 3.27Å
139L83.9Confident85.7Confident0 Ų062 Ų620%032%0.316CS..Iπ-helixtrans-113.8-1.2-174-65.8174.2000113.8Y134 I135 V412 V418 A421 K487 W488Y134-L139 HydrophobicContact CD1-CD1 3.88Å; Y134-L139 HydrophobicContact CD1-CG 4.2Å; Y134-L139 HydrophobicContact CE1-CD1 3.7Å; Y134-L139 HydrophobicContact CE1-CD2 4.31Å; Y134-L139 HydrophobicContact CE1-CG 3.79Å; I135-L139 HydrophobicContact CG1-CD1 4.36Å; I135-L139 PolarHBondContact O-N 2.79Å; L139-V412 HydrophobicContact CB-CG1 4.5Å; L139-V418 HydrophobicContact CD1-CB 4.42Å; L139-V418 HydrophobicContact CD1-CG1 4.09Å; L139-V418 HydrophobicContact CD1-CG2 4.3Å; L139-A421 HydrophobicContact CD1-CB 3.98Å; L139-A421 HydrophobicContact CD2-CB 4.09Å; L139-K487 HydrophobicContact CD2-CB 4.45Å; L139-K487 HydrophobicContact CD2-CG 4.49Å; L139-W488 VanDerWaalsContact O-CZ3 3.31Å; L139-W488 WeakPolarHBondContact O-CZ3 3.43Å
140T87.1Confident85.3Confident43 Ų4354.9 Ų54.926%0.26429%0.285SS..  trans-86.7137.4-177.7-61.50000111.3I135 S410I135-T140 PolarHBondContact O-N 2.88Å; I135-T140 PolarHBondContact O-OG1 3.27Å; T140-S410 VanDerWaalsContact CG2-CB 3.46Å
141I86.1Confident85Confident9 Ų955.1 Ų55.15%0.04629%0.286CS..EExtended strand (participates in β ladder)trans-116.3131.7171.5-55.1164.6000107.3L146 V411 W488 K502 Y507I141-L146 HydrophobicContact CG2-CD1 3.72Å; I141-L146 HydrophobicContact CG2-CG 4.31Å; I141-V411 HydrophobicContact CB-CG2 4.07Å; I141-V411 PolarHBondContact N-O 3.37Å; I141-V411 PolarHBondContact O-N 3.31Å; I141-W488 HydrophobicContact CD1-CD2 4.47Å; I141-W488 HydrophobicContact CD1-CE3 3.89Å; I141-W488 HydrophobicContact CD1-CH2 3.79Å; I141-W488 HydrophobicContact CD1-CZ2 4.33Å; I141-W488 HydrophobicContact CD1-CZ3 3.55Å; I141-W488 HydrophobicContact CG1-CE3 4.35Å; I141-W488 HydrophobicContact CG1-CH2 3.33Å; I141-W488 HydrophobicContact CG1-CZ2 4Å; I141-W488 HydrophobicContact CG1-CZ3 3.54Å; I141-K502 HydrophobicContact CD1-CD 3.99Å; I141-K502 HydrophobicContact CD1-CG 3.98Å; I141-Y507 HydrophobicContact CD1-CE1 3.81Å
142A84.2Confident84.9Confident42 Ų4255.8 Ų55.835%0.34729%0.29SS..EExtended strand (participates in β ladder)trans-72.2135.8177.500000110.2D144 D145A142-D144 PolarHBondContact O-N 3.34Å; A142-D145 PolarHBondContact O-N 2.85Å
143T75.4Confident84.8Confident19 Ų1956.8 Ų56.812%0.11730%0.295CS..G310 helixtrans-68.2-27.9179.353.30000112.7D145 L146 G147 V405 K409 V411T143-D145 PolarHBondContact O-N 3.37Å; T143-L146 PolarHBondContact O-N 3.4Å; T143-L146 VanDerWaalsContact O-N 3.09Å; T143-G147 PolarHBondContact O-N 3.06Å; T143-V405 HydrophobicContact CG2-CG1 3.48Å; T143-V405 VanDerWaalsContact CG2-CG1 3.48Å; T143-K409 VanDerWaalsContact CG2-C 3.43Å; T143-K409 PolarHBondContact N-O 3.26Å; T143-K409 WeakPolarHBondContact OG1-CA 3.18Å; T143-K409 WeakPolarHBondContact OG1-CB 3.32Å; T143-K409 PolarHBondContact OG1-O 3.18Å; T143-V411 HydrophobicContact CG2-CG1 3.93Å
144D73.8Confident84.6Confident119 Ų11951.9 Ų51.964%0.63628%0.277SS*.G310 helixtrans-63.5-27.7-179.2-65.2-17.6000111.2A142 L146A142-D144 PolarHBondContact O-N 3.34Å; D144-L146 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 3.09Å
145D64.4Low84.6Confident132 Ų13251 Ų5171%0.70627%0.273SS*.G310 helixtrans-73.8-19.5177.2-61.5-24.2000113.2A142 T143A142-D145 PolarHBondContact O-N 2.85Å; T143-D145 PolarHBondContact O-N 3.37Å
146L64.4Low84.6Confident47 Ų4754 Ų5425%0.24629%0.286CS..THydrogen-bonded Turntrans-114.6-10.6-169-65.8169.7000113.4I141 T143 D144 C150 V411 Y507I141-L146 HydrophobicContact CG2-CD1 3.72Å; I141-L146 HydrophobicContact CG2-CG 4.31Å; T143-L146 PolarHBondContact O-N 3.4Å; T143-L146 VanDerWaalsContact O-N 3.09Å; D144-L146 VanDerWaalsContact C-N 3.3Å; D144-L146 PolarHBondContact O-N 3.09Å; L146-C150 HydrophobicContact CB-CB 3.48Å; L146-C150 VanDerWaalsContact CB-CB 3.48Å; L146-C150 HydrophobicContact CD1-CB 4.3Å; L146-C150 PolarHBondContact O-N 3.44Å; L146-V411 HydrophobicContact CD1-CG2 4.22Å; L146-Y507 HydrophobicContact CD1-CE1 4.18Å; L146-Y507 HydrophobicContact CD1-CE2 4.21Å
147G80.6Confident84.6Confident42 Ų4250.8 Ų50.843%0.43327%0.27SS..Hα-helixtrans61.1-153.2174.300000114.9T143 E149 C150T143-G147 PolarHBondContact O-N 3.06Å; G147-E149 VanDerWaalsContact C-N 3.28Å; G147-E149 PolarHBondContact O-N 2.86Å; G147-C150 VanDerWaalsContact O-CB 3.26Å; G147-C150 WeakPolarHBondContact O-CB 3.3Å; G147-C150 PolarHBondContact O-N 3.11Å
148R85.9Confident84.8Confident121 Ų12145.2 Ų45.246%0.45725%0.245SC..Hα-helixtrans-64.6-31.7-178179.7175.6164.4140.81112.6C150 L151 V152 V176 D177R148-C150 PolarHBondContact O-N 3.39Å; R148-L151 WeakPolarHBondContact O-CB 3.26Å; R148-L151 PolarHBondContact O-N 3.44Å; R148-L151 VanDerWaalsContact O-N 3.09Å; R148-V152 PolarHBondContact O-N 2.7Å; R148-V176 HydrophobicContact CG-CG1 4.41Å; R148-D177 IonicContact CZ-OD1 3.1Å; R148-D177 IonicContact NH1-OD1 3.96Å; R148-D177 PolarHBondContact NH1-OD1 3.42Å; R148-D177 IonicContact NH2-OD1 2.75Å; R148-D177 PolarHBondContact NH2-OD1 2.83Å; R148-D177 IonicContact NH2-OD2 2.75Å; R148-D177 PolarHBondContact NH2-OD2 3.45Å
149E87.4Confident85.1Confident149 Ų14942.2 Ų42.270%0.69623%0.228SC*.Hα-helixtrans-62-32178.5-66.9-171.617200112G147 L151 V152 N153G147-E149 VanDerWaalsContact C-N 3.28Å; G147-E149 PolarHBondContact O-N 2.86Å; E149-L151 VanDerWaalsContact C-N 3.3Å; E149-L151 PolarHBondContact O-N 2.91Å; E149-V152 PolarHBondContact O-N 2.9Å; E149-N153 VanDerWaalsContact O-CB 3.23Å; E149-N153 WeakPolarHBondContact O-CB 3.43Å; E149-N153 VanDerWaalsContact O-CG 3.26Å; E149-N153 PolarHBondContact O-N 3.23Å; E149-N153 PolarHBondContact O-ND2 3.31Å
150C87.4Confident85.3Confident2 Ų244.4 Ų44.41%0.01424%0.244CC..Hα-helixtrans-56.3-44172.6-165.60000112.8L146 G147 R148 N153 A154L146-C150 HydrophobicContact CB-CB 3.48Å; L146-C150 VanDerWaalsContact CB-CB 3.48Å; L146-C150 HydrophobicContact CD1-CB 4.3Å; L146-C150 PolarHBondContact O-N 3.44Å; G147-C150 VanDerWaalsContact O-CB 3.26Å; G147-C150 WeakPolarHBondContact O-CB 3.3Å; G147-C150 PolarHBondContact O-N 3.11Å; R148-C150 PolarHBondContact O-N 3.39Å; C150-N153 PolarHBondContact O-N 3.08Å; C150-A154 WeakPolarHBondContact O-CB 3.25Å; C150-A154 PolarHBondContact O-N 2.98Å
151L90.1Very high85.1Confident17 Ų1743.6 Ų43.69%0.08924%0.24CC..Hα-helixtrans-68.4-42.7-177.2-64.9159.8000110.3R148 E149 A154 A155 V176 V402 V405 L406R148-L151 WeakPolarHBondContact O-CB 3.26Å; R148-L151 PolarHBondContact O-N 3.44Å; R148-L151 VanDerWaalsContact O-N 3.09Å; E149-L151 VanDerWaalsContact C-N 3.3Å; E149-L151 PolarHBondContact O-N 2.91Å; L151-A154 PolarHBondContact O-N 3.48Å; L151-A155 WeakPolarHBondContact O-CB 3.39Å; L151-A155 PolarHBondContact O-N 2.87Å; L151-V176 HydrophobicContact CB-CG1 4.1Å; L151-V176 HydrophobicContact CB-CG2 3.75Å; L151-V176 HydrophobicContact CD1-CG1 4.32Å; L151-V402 HydrophobicContact CD2-CG1 4.02Å; L151-V405 HydrophobicContact CD2-CB 4.15Å; L151-V405 HydrophobicContact CD2-CG1 3.78Å; L151-L406 HydrophobicContact CD1-CD2 3.95Å; L151-L406 HydrophobicContact CD2-CD1 4.36Å; L151-L406 HydrophobicContact CD2-CD2 3.58Å; L151-L406 HydrophobicContact CD2-CG 3.62Å; L151-L406 HydrophobicContact CG-CD2 4.41Å
152V92.9Very high85.1Confident13 Ų1344.1 Ų44.18%0.07924%0.242CC..Hα-helixtrans-62.6-46.4176.5171.30000110R148 E149 A155 K156 A172 V176R148-V152 PolarHBondContact O-N 2.7Å; E149-V152 PolarHBondContact O-N 2.9Å; V152-A155 WeakPolarHBondContact O-CB 3.37Å; V152-A155 PolarHBondContact O-N 2.85Å; V152-K156 HydrophobicContact CG1-CD 4.5Å; V152-K156 WeakPolarHBondContact O-CG 3.43Å; V152-K156 PolarHBondContact O-N 2.79Å; V152-A172 HydrophobicContact CG1-CB 4.02Å; V152-V176 HydrophobicContact CG2-CB 4.47Å; V152-V176 HydrophobicContact CG2-CG2 4Å
153N92.3Very high85.2Confident40 Ų4044.2 Ų44.221%0.21424%0.236CC..Hα-helixtrans-65.7-41.7179.1-78.2-14.5000112.6E149 C150 A155 K156 T157 G505 Y507E149-N153 VanDerWaalsContact O-CB 3.23Å; E149-N153 WeakPolarHBondContact O-CB 3.43Å; E149-N153 VanDerWaalsContact O-CG 3.26Å; E149-N153 PolarHBondContact O-N 3.23Å; E149-N153 PolarHBondContact O-ND2 3.31Å; C150-N153 PolarHBondContact O-N 3.08Å; N153-A155 VanDerWaalsContact C-N 3.34Å; N153-A155 PolarHBondContact O-N 2.99Å; N153-K156 WeakPolarHBondContact O-CB 3.31Å; N153-K156 PolarHBondContact O-N 2.97Å; N153-T157 PolarHBondContact O-N 3.1Å; N153-T157 PolarHBondContact O-OG1 3.21Å; N153-T157 VanDerWaalsContact O-OG1 3.06Å; N153-G505 WeakPolarHBondContact CB-O 3.33Å; N153-Y507 HydrophobicContact CB-CD2 3.97Å; N153-Y507 HydrophobicContact CB-CE2 4.42Å
154A91.9Very high85.8Confident0 Ų043.4 Ų43.40%023%0.231CC..Hα-helixtrans-62.7-40173.900000112.2C150 L151 T157 S158 V401 V405C150-A154 WeakPolarHBondContact O-CB 3.25Å; C150-A154 PolarHBondContact O-N 2.98Å; L151-A154 PolarHBondContact O-N 3.48Å; A154-T157 PolarHBondContact O-N 3.37Å; A154-S158 PolarHBondContact O-N 3.21Å; A154-V401 HydrophobicContact CB-CG1 4.32Å; A154-V405 HydrophobicContact CB-CG2 3.85Å
155A92.9Very high86.4Confident0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-62.7-44.7173.800000111.5L151 V152 N153 T157 S158 M159 A172 V175 V402L151-A155 WeakPolarHBondContact O-CB 3.39Å; L151-A155 PolarHBondContact O-N 2.87Å; V152-A155 WeakPolarHBondContact O-CB 3.37Å; V152-A155 PolarHBondContact O-N 2.85Å; N153-A155 VanDerWaalsContact C-N 3.34Å; N153-A155 PolarHBondContact O-N 2.99Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 PolarHBondContact O-N 2.98Å; A155-S158 PolarHBondContact O-N 3Å; A155-M159 VanDerWaalsContact O-CG 3.3Å; A155-M159 WeakPolarHBondContact O-CG 3.47Å; A155-M159 PolarHBondContact O-N 2.6Å; A155-M159 VanDerWaalsContact O-N 3.1Å; A155-A172 HydrophobicContact CB-CB 3.9Å; A155-V175 HydrophobicContact CB-CG1 4.49Å; A155-V402 HydrophobicContact CB-CG2 3.71Å
156K93.3Very high87.5Confident61 Ų6139 Ų3927%0.26522%0.218SC..Hα-helixtrans-57.9-43176-71.9179-170-173.10112.2V152 N153 S158 M159 S160 A168 D169 A172V152-K156 HydrophobicContact CG1-CD 4.5Å; V152-K156 WeakPolarHBondContact O-CG 3.43Å; V152-K156 PolarHBondContact O-N 2.79Å; N153-K156 WeakPolarHBondContact O-CB 3.31Å; N153-K156 PolarHBondContact O-N 2.97Å; K156-S158 VanDerWaalsContact C-N 3.33Å; K156-S158 PolarHBondContact O-N 3.48Å; K156-M159 PolarHBondContact O-N 3.37Å; K156-S160 PolarHBondContact O-N 2.93Å; K156-S160 VanDerWaalsContact O-N 3.08Å; K156-A168 HydrophobicContact CB-CB 4.5Å; K156-A168 HydrophobicContact CG-CB 4.23Å; K156-D169 WeakPolarHBondContact CE-OD1 3.41Å; K156-D169 IonicContact NZ-OD1 3.39Å; K156-D169 PolarHBondContact NZ-OD1 3.37Å; K156-A172 HydrophobicContact CG-CB 3.67Å
157T91.9Very high88.7Confident23 Ų2338 Ų3814%0.14121%0.212CC..Hα-helixtrans-57.5-47177.3-51.40000111.4N153 A154 A155 M159 S160 V506 Y507 E508N153-T157 PolarHBondContact O-N 3.1Å; N153-T157 PolarHBondContact O-OG1 3.21Å; N153-T157 VanDerWaalsContact O-OG1 3.06Å; A154-T157 PolarHBondContact O-N 3.37Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 PolarHBondContact O-N 2.98Å; T157-M159 VanDerWaalsContact C-N 3.3Å; T157-M159 PolarHBondContact O-N 3.43Å; T157-S160 WeakPolarHBondContact O-CB 3.22Å; T157-S160 PolarHBondContact O-N 3.3Å; T157-S160 PolarHBondContact O-OG 2.89Å; T157-V506 HydrophobicContact CG2-CG1 3.87Å; T157-Y507 WeakPolarHBondContact CB-O 3.47Å; T157-Y507 PolarHBondContact OG1-N 2.86Å; T157-Y507 VanDerWaalsContact OG1-N 3.16Å; T157-Y507 PolarHBondContact OG1-O 2.95Å; T157-Y507 VanDerWaalsContact OG1-O 3.11Å; T157-E508 HydrophobicContact CG2-CG 4.2Å
158S91.2Very high89.1Confident7 Ų736.5 Ų36.55%0.04920%0.196CC..Hα-helixtrans-65.9-31.4-179.6-173.50000113.3A154 A155 K156 S160 K162A154-S158 PolarHBondContact O-N 3.21Å; A155-S158 PolarHBondContact O-N 3Å; K156-S158 VanDerWaalsContact C-N 3.33Å; K156-S158 PolarHBondContact O-N 3.48Å; S158-S160 VanDerWaalsContact C-N 3.34Å; S158-K162 WeakPolarHBondContact O-CE 3.46Å
159M90.9Very high89.4Confident0 Ų035.5 Ų35.50%020%0.2CC..Hα-helixtrans-80.1-16.4178-66.6-178.2-174.300113.5A155 K156 T157 S161 K162 I164 G165 A168 F171 V175 A398A155-M159 VanDerWaalsContact O-CG 3.3Å; A155-M159 WeakPolarHBondContact O-CG 3.47Å; A155-M159 PolarHBondContact O-N 2.6Å; A155-M159 VanDerWaalsContact O-N 3.1Å; K156-M159 PolarHBondContact O-N 3.37Å; T157-M159 VanDerWaalsContact C-N 3.3Å; T157-M159 PolarHBondContact O-N 3.43Å; M159-S161 VanDerWaalsContact C-N 3.28Å; M159-S161 PolarHBondContact O-N 2.95Å; M159-K162 PolarHBondContact O-N 3.38Å; M159-I164 HydrophobicContact CB-CD1 4.27Å; M159-I164 HydrophobicContact CB-CG1 4.06Å; M159-I164 HydrophobicContact CE-CD1 4.09Å; M159-I164 HydrophobicContact CG-CD1 3.63Å; M159-I164 HydrophobicContact CG-CG1 3.99Å; M159-I164 HydrophobicContact SD-CD1 3.75Å; M159-I164 HydrophobicContact SD-CG1 4.27Å; M159-G165 VanDerWaalsContact O-CA 3.22Å; M159-G165 WeakPolarHBondContact O-CA 3.24Å; M159-G165 PolarHBondContact O-N 2.99Å; M159-A168 HydrophobicContact CB-CB 4.28Å; M159-F171 HydrophobicContact CE-CB 3.82Å; M159-F171 HydrophobicContact SD-CB 3.62Å; M159-V175 HydrophobicContact CE-CB 4.14Å; M159-V175 HydrophobicContact CE-CG2 3.45Å; M159-V175 VanDerWaalsContact CE-CG2 3.45Å; M159-A398 HydrophobicContact CE-CB 3.4Å; M159-A398 VanDerWaalsContact CE-CB 3.4Å; M159-A398 HydrophobicContact CG-CB 3.99Å
160S86.9Confident89.7Confident47 Ų4732.1 Ų32.133%0.32918%0.183SC..THydrogen-bonded Turntrans-63.4-30.4-168.2690000114.2P41 K156 T157 S158 K162P41-S160 VanDerWaalsContact CA-O 3.31Å; P41-S160 WeakPolarHBondContact CA-O 3.4Å; K156-S160 PolarHBondContact O-N 2.93Å; K156-S160 VanDerWaalsContact O-N 3.08Å; T157-S160 WeakPolarHBondContact O-CB 3.22Å; T157-S160 PolarHBondContact O-N 3.3Å; T157-S160 PolarHBondContact O-OG 2.89Å; S158-S160 VanDerWaalsContact C-N 3.34Å; S160-K162 VanDerWaalsContact C-N 3.32Å
161S84.3Confident90Very high25 Ų2532 Ų3218%0.17518%0.182CC..THydrogen-bonded Turntrans-89.511.5177.367.70000114.2G40 N59 M159G40-S161 VanDerWaalsContact C-CB 3.44Å; G40-S161 WeakPolarHBondContact O-CA 3.4Å; G40-S161 WeakPolarHBondContact O-CB 3.5Å; N59-S161 PolarHBondContact ND2-O 3.49Å; N59-S161 PolarHBondContact OD1-O 2.89Å; M159-S161 VanDerWaalsContact C-N 3.28Å; M159-S161 PolarHBondContact O-N 2.95Å
162K85.9Confident90.2Very high20 Ų2031.2 Ų31.29%0.08718%0.178CC..SBendtrans-127.3166.9-167.3-55.3-173.6-176.3169.70111.4S158 M159 S160 I164 G165 S394 D397S158-K162 WeakPolarHBondContact O-CE 3.46Å; M159-K162 PolarHBondContact O-N 3.38Å; S160-K162 VanDerWaalsContact C-N 3.32Å; K162-I164 HydrophobicContact CB-CG1 4.35Å; K162-I164 PolarHBondContact O-N 2.89Å; K162-I164 VanDerWaalsContact O-N 3.1Å; K162-G165 WeakPolarHBondContact O-CA 3.21Å; K162-G165 PolarHBondContact O-N 2.84Å; K162-S394 WeakPolarHBondContact CB-OG 3.42Å; K162-S394 WeakPolarHBondContact CD-OG 3.37Å; K162-D397 VanDerWaalsContact NZ-CG 3.26Å; K162-D397 IonicContact NZ-OD2 2.64Å; K162-D397 PolarHBondContact NZ-OD2 2.66Å
163I85.9Confident90.2Very high45 Ų4534 Ų3423%0.23119%0.192CC..G310 helixtrans-56.7-30.6-178.2-160.4158.4000113.5G165 M387 E390 M391I163-G165 VanDerWaalsContact C-N 3.27Å; I163-G165 PolarHBondContact O-N 2.63Å; I163-M387 HydrophobicContact CD1-CB 4.47Å; I163-M387 HydrophobicContact CD1-CE 3.64Å; I163-M387 HydrophobicContact CD1-CG 3.85Å; I163-M387 HydrophobicContact CG1-CE 3.86Å; I163-E390 HydrophobicContact CB-CG 4.37Å; I163-E390 HydrophobicContact CG2-CB 4.29Å; I163-E390 HydrophobicContact CG2-CG 3.94Å; I163-M391 HydrophobicContact CG2-CG 3.76Å
164I87.8Confident90.3Very high1 Ų132.7 Ų32.71%0.00519%0.185CC..G310 helixtrans-81.1-1.1177.360175.7000113.9M159 K162 V166 D167 A168 F171 M391 S394M159-I164 HydrophobicContact CB-CD1 4.27Å; M159-I164 HydrophobicContact CB-CG1 4.06Å; M159-I164 HydrophobicContact CE-CD1 4.09Å; M159-I164 HydrophobicContact CG-CD1 3.63Å; M159-I164 HydrophobicContact CG-CG1 3.99Å; M159-I164 HydrophobicContact SD-CD1 3.75Å; M159-I164 HydrophobicContact SD-CG1 4.27Å; K162-I164 HydrophobicContact CB-CG1 4.35Å; K162-I164 PolarHBondContact O-N 2.89Å; K162-I164 VanDerWaalsContact O-N 3.1Å; I164-V166 VanDerWaalsContact C-N 3.31Å; I164-V166 PolarHBondContact O-N 3.21Å; I164-D167 CarbonylContact O-C 3.59Å; I164-D167 PolarHBondContact O-N 2.93Å; I164-A168 PolarHBondContact O-N 3.1Å; I164-A168 VanDerWaalsContact O-N 3.13Å; I164-F171 HydrophobicContact CB-CD2 3.89Å; I164-F171 HydrophobicContact CB-CE2 4.17Å; I164-F171 HydrophobicContact CB-CG 4.44Å; I164-F171 HydrophobicContact CG2-CD2 4.18Å; I164-F171 HydrophobicContact CG2-CE2 4.04Å; I164-F171 HydrophobicContact CG2-CZ 4.4Å; I164-M391 HydrophobicContact CG2-CB 4.1Å; I164-M391 HydrophobicContact CG2-CE 4.02Å; I164-M391 HydrophobicContact CG2-CG 3.67Å; I164-S394 VanDerWaalsContact CD1-CB 3.49Å
165G85.6Confident90.4Very high23 Ų2332.7 Ų32.724%0.23719%0.185CC..G310 helixtrans-62.8-32.2-17700000114M159 K162 I163 D167 A168M159-G165 VanDerWaalsContact O-CA 3.22Å; M159-G165 WeakPolarHBondContact O-CA 3.24Å; M159-G165 PolarHBondContact O-N 2.99Å; K162-G165 WeakPolarHBondContact O-CA 3.21Å; K162-G165 PolarHBondContact O-N 2.84Å; I163-G165 VanDerWaalsContact C-N 3.27Å; I163-G165 PolarHBondContact O-N 2.63Å; G165-D167 VanDerWaalsContact C-N 3.26Å; G165-D167 PolarHBondContact O-N 3.06Å; G165-A168 VanDerWaalsContact O-CB 3.29Å; G165-A168 WeakPolarHBondContact O-CB 3.44Å; G165-A168 PolarHBondContact O-N 3.29Å
166V87.6Confident90.4Very high136 Ų13632.7 Ų32.782%0.82419%0.185SC*.G310 helixtrans-62.6-36.5177.5-177.90000111.4I164I164-V166 VanDerWaalsContact C-N 3.31Å; I164-V166 PolarHBondContact O-N 3.21Å
167D90.4Very high90.3Very high25 Ų2532.5 Ų32.513%0.13419%0.187CC..G310 helixtrans-110.229.1-179.2-68.8-31.9000111.8I164 G165 D169 F170 F171 K209I164-D167 CarbonylContact O-C 3.59Å; I164-D167 PolarHBondContact O-N 2.93Å; G165-D167 VanDerWaalsContact C-N 3.26Å; G165-D167 PolarHBondContact O-N 3.06Å; D167-D169 PolarHBondContact O-N 3Å; D167-D169 VanDerWaalsContact O-N 3.14Å; D167-F170 WeakPolarHBondContact O-CB 3.2Å; D167-F170 PolarHBondContact O-N 3.27Å; D167-F171 HydrophobicContact CB-CD2 4.11Å; D167-F171 HydrophobicContact CB-CE2 4.05Å; D167-F171 WeakPolarHBondContact O-CD2 3.46Å; D167-F171 PolarHBondContact O-N 2.84Å; D167-K209 WeakPolarHBondContact OD1-CE 3.44Å; D167-K209 IonicContact OD1-NZ 2.65Å; D167-K209 PolarHBondContact OD1-NZ 3.01Å; D167-K209 WeakPolarHBondContact OD2-CE 3.24Å; D167-K209 WeakPolarHBondContact OD2-CG 3.42Å
168A89.2Confident90.3Very high11 Ų1131.4 Ų31.49%0.09118%0.18CC..Hα-helixtrans-57.2-32.6-175.200000113.1K156 M159 I164 G165 F170 A172K156-A168 HydrophobicContact CB-CB 4.5Å; K156-A168 HydrophobicContact CG-CB 4.23Å; M159-A168 HydrophobicContact CB-CB 4.28Å; I164-A168 PolarHBondContact O-N 3.1Å; I164-A168 VanDerWaalsContact O-N 3.13Å; G165-A168 VanDerWaalsContact O-CB 3.29Å; G165-A168 WeakPolarHBondContact O-CB 3.44Å; G165-A168 PolarHBondContact O-N 3.29Å; A168-F170 VanDerWaalsContact C-N 3.29Å; A168-F170 PolarHBondContact O-N 3.06Å; A168-A172 WeakPolarHBondContact O-CA 3.26Å; A168-A172 WeakPolarHBondContact O-CB 3.32Å; A168-A172 PolarHBondContact O-N 3.23Å
169D91.6Very high90.3Very high100 Ų10031.1 Ų31.154%0.53518%0.178SC..Hα-helixtrans-60.4-38.7176.4-69.2-24000112.8K156 D167 N173K156-D169 WeakPolarHBondContact CE-OD1 3.41Å; K156-D169 IonicContact NZ-OD1 3.39Å; K156-D169 PolarHBondContact NZ-OD1 3.37Å; D167-D169 PolarHBondContact O-N 3Å; D167-D169 VanDerWaalsContact O-N 3.14Å; D169-N173 PolarHBondContact O-ND2 3.38Å
170F93.6Very high90.2Very high78 Ų7834.1 Ų34.134%0.34219%0.194SC..Hα-helixtrans-73.6-51.6179.9178.9-105.9000110.9D167 A168 M174 K209 S211D167-F170 WeakPolarHBondContact O-CB 3.2Å; D167-F170 PolarHBondContact O-N 3.27Å; A168-F170 VanDerWaalsContact C-N 3.29Å; A168-F170 PolarHBondContact O-N 3.06Å; F170-M174 HydrophobicContact CD1-CE 4.32Å; F170-M174 HydrophobicContact CE1-CE 3.5Å; F170-M174 VanDerWaalsContact CE1-CE 3.5Å; F170-M174 HydrophobicContact CZ-CE 3.69Å; F170-M174 PolarHBondContact O-N 2.97Å; F170-K209 VanDerWaalsContact CZ-O 3.31Å; F170-K209 WeakPolarHBondContact CZ-O 3.47Å; F170-S211 WeakPolarHBondContact CE1-O 3.38Å; F170-S211 WeakPolarHBondContact CZ-O 3.38Å
171F94.4Very high90.2Very high1 Ų132.9 Ų32.90%0.00419%0.187CC..Hα-helixtrans-69.5-33.7-178.1-71.9-70.8000112.9M159 I164 D167 N173 M174 V175 Q208 L380 M391 L395M159-F171 HydrophobicContact CE-CB 3.82Å; M159-F171 HydrophobicContact SD-CB 3.62Å; I164-F171 HydrophobicContact CB-CD2 3.89Å; I164-F171 HydrophobicContact CB-CE2 4.17Å; I164-F171 HydrophobicContact CB-CG 4.44Å; I164-F171 HydrophobicContact CG2-CD2 4.18Å; I164-F171 HydrophobicContact CG2-CE2 4.04Å; I164-F171 HydrophobicContact CG2-CZ 4.4Å; D167-F171 HydrophobicContact CB-CD2 4.11Å; D167-F171 HydrophobicContact CB-CE2 4.05Å; D167-F171 WeakPolarHBondContact O-CD2 3.46Å; D167-F171 PolarHBondContact O-N 2.84Å; F171-N173 PolarHBondContact O-N 3.14Å; F171-M174 HydrophobicContact CD1-SD 4.43Å; F171-M174 WeakPolarHBondContact O-CB 3.33Å; F171-M174 PolarHBondContact O-N 3.23Å; F171-V175 WeakPolarHBondContact O-CB 3.4Å; F171-V175 WeakPolarHBondContact O-CG2 3.19Å; F171-V175 PolarHBondContact O-N 2.74Å; F171-Q208 HydrophobicContact CZ-CB 4.39Å; F171-L380 HydrophobicContact CE1-CD2 3.96Å; F171-M391 HydrophobicContact CE1-CE 4.09Å; F171-M391 HydrophobicContact CE2-CE 4.22Å; F171-M391 HydrophobicContact CZ-CE 3.47Å; F171-M391 VanDerWaalsContact CZ-CE 3.47Å; F171-L395 HydrophobicContact CD1-CD1 4.38Å
172A93.9Very high90.2Very high0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-61.9-43178.500000112.1V152 A155 K156 A168 V175 V176V152-A172 HydrophobicContact CG1-CB 4.02Å; A155-A172 HydrophobicContact CB-CB 3.9Å; K156-A172 HydrophobicContact CG-CB 3.67Å; A168-A172 WeakPolarHBondContact O-CA 3.26Å; A168-A172 WeakPolarHBondContact O-CB 3.32Å; A168-A172 PolarHBondContact O-N 3.23Å; A172-V175 PolarHBondContact O-N 3.43Å; A172-V176 VanDerWaalsContact O-CG2 3.29Å; A172-V176 WeakPolarHBondContact O-CG2 3.11Å; A172-V176 PolarHBondContact O-N 2.6Å
173N93.6Very high90.3Very high71 Ų7136.5 Ų36.538%0.3820%0.2SC..Hα-helixtrans-62.7-44.7175.3-75.2-53.6000111.4D169 F171 V175 V176 D177D169-N173 PolarHBondContact O-ND2 3.38Å; F171-N173 PolarHBondContact O-N 3.14Å; N173-V175 PolarHBondContact O-N 2.92Å; N173-V176 PolarHBondContact O-N 2.81Å; N173-D177 PolarHBondContact O-N 3.16Å
174M93.7Very high90.1Very high13 Ų1337.5 Ų37.56%0.06420%0.203CC..Hα-helixtrans-59.3-44.9177.6-174.5-179.9-61.400112.6F170 F171 D177 A178 S211 L213 I378F170-M174 HydrophobicContact CD1-CE 4.32Å; F170-M174 HydrophobicContact CE1-CE 3.5Å; F170-M174 VanDerWaalsContact CE1-CE 3.5Å; F170-M174 HydrophobicContact CZ-CE 3.69Å; F170-M174 PolarHBondContact O-N 2.97Å; F171-M174 HydrophobicContact CD1-SD 4.43Å; F171-M174 WeakPolarHBondContact O-CB 3.33Å; F171-M174 PolarHBondContact O-N 3.23Å; M174-D177 PolarHBondContact O-N 3.45Å; M174-A178 VanDerWaalsContact O-CB 3.26Å; M174-A178 WeakPolarHBondContact O-CB 3.46Å; M174-A178 PolarHBondContact O-N 2.99Å; M174-S211 WeakPolarHBondContact CE-O 3.17Å; M174-L213 HydrophobicContact CG-CB 4.11Å; M174-L213 HydrophobicContact CG-CD1 4.44Å; M174-I378 HydrophobicContact CG-CD1 4.02Å; M174-I378 HydrophobicContact CG-CG1 4.13Å; M174-I378 HydrophobicContact SD-CB 4.4Å; M174-I378 HydrophobicContact SD-CD1 4.27Å; M174-I378 HydrophobicContact SD-CG1 4.1Å; M174-I378 HydrophobicContact SD-CG2 3.51Å; M174-I378 VanDerWaalsContact SD-CG2 3.51Å
175V94.1Very high89.8Confident0 Ų041.1 Ų41.10%023%0.225CC..Hα-helixtrans-64.3-42.8178.6166.10000111.2A155 M159 F171 A172 N173 T179 L395 A398 L399 V402A155-V175 HydrophobicContact CB-CG1 4.49Å; M159-V175 HydrophobicContact CE-CB 4.14Å; M159-V175 HydrophobicContact CE-CG2 3.45Å; M159-V175 VanDerWaalsContact CE-CG2 3.45Å; F171-V175 WeakPolarHBondContact O-CB 3.4Å; F171-V175 WeakPolarHBondContact O-CG2 3.19Å; F171-V175 PolarHBondContact O-N 2.74Å; A172-V175 PolarHBondContact O-N 3.43Å; N173-V175 PolarHBondContact O-N 2.92Å; V175-T179 WeakPolarHBondContact O-CB 3.42Å; V175-T179 PolarHBondContact O-N 3.48Å; V175-T179 PolarHBondContact O-OG1 3.26Å; V175-L395 HydrophobicContact CG2-CD1 3.36Å; V175-L395 HydrophobicContact CG2-CG 4.17Å; V175-A398 HydrophobicContact CG1-CB 4.25Å; V175-A398 HydrophobicContact CG2-CB 4.33Å; V175-L399 HydrophobicContact CB-CD2 4.36Å; V175-L399 HydrophobicContact CG1-CD2 3.78Å; V175-L399 HydrophobicContact CG1-CG 4.04Å; V175-L399 HydrophobicContact CG2-CD2 4.43Å; V175-L399 HydrophobicContact CG2-CG 4.4Å; V175-V402 HydrophobicContact CG1-CB 4.38Å; V175-V402 HydrophobicContact CG1-CG2 3.83Å
176V93Very high89.5Confident0 Ų042.1 Ų42.10%023%0.225CC..Hα-helixtrans-64.8-47.3178.3172.40000110.8R148 L151 V152 A172 N173 A178 T179 L180 V402R148-V176 HydrophobicContact CG-CG1 4.41Å; L151-V176 HydrophobicContact CB-CG1 4.1Å; L151-V176 HydrophobicContact CB-CG2 3.75Å; L151-V176 HydrophobicContact CD1-CG1 4.32Å; V152-V176 HydrophobicContact CG2-CB 4.47Å; V152-V176 HydrophobicContact CG2-CG2 4Å; A172-V176 VanDerWaalsContact O-CG2 3.29Å; A172-V176 WeakPolarHBondContact O-CG2 3.11Å; A172-V176 PolarHBondContact O-N 2.6Å; N173-V176 PolarHBondContact O-N 2.81Å; V176-A178 PolarHBondContact O-N 3.06Å; V176-T179 PolarHBondContact O-N 3.33Å; V176-L180 HydrophobicContact CG1-CD1 3.85Å; V176-L180 HydrophobicContact CG1-CG 4.39Å; V176-L180 WeakPolarHBondContact O-CB 3.48Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 2.98Å; V176-V402 HydrophobicContact CG2-CG1 4.37Å; V176-V402 HydrophobicContact CG2-CG2 4.34Å
177D91.4Very high89Confident56 Ų5645 Ų4530%0.29923%0.229SC..Hα-helixtrans-63.6-42178.3-73.4-35.9000111.9R148 N173 M174 T179 L180 A181 L213R148-D177 IonicContact CZ-OD1 3.1Å; R148-D177 IonicContact NH1-OD1 3.96Å; R148-D177 PolarHBondContact NH1-OD1 3.42Å; R148-D177 IonicContact NH2-OD1 2.75Å; R148-D177 PolarHBondContact NH2-OD1 2.83Å; R148-D177 IonicContact NH2-OD2 2.75Å; R148-D177 PolarHBondContact NH2-OD2 3.45Å; N173-D177 PolarHBondContact O-N 3.16Å; M174-D177 PolarHBondContact O-N 3.45Å; D177-T179 PolarHBondContact O-N 3.33Å; D177-L180 PolarHBondContact O-N 3.14Å; D177-A181 VanDerWaalsContact O-CB 3.29Å; D177-A181 WeakPolarHBondContact O-CB 3.23Å; D177-A181 PolarHBondContact O-N 3.46Å; D177-L213 HydrophobicContact CB-CD2 3.72Å
178A91.8Very high88.5Confident0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-62.4-41.8175.500000112.4M174 V176 A181 V182 V198 L213 A376 I378 L399M174-A178 VanDerWaalsContact O-CB 3.26Å; M174-A178 WeakPolarHBondContact O-CB 3.46Å; M174-A178 PolarHBondContact O-N 2.99Å; V176-A178 PolarHBondContact O-N 3.06Å; A178-A181 PolarHBondContact O-N 3.26Å; A178-V182 PolarHBondContact O-N 3.43Å; A178-V198 HydrophobicContact CB-CG1 4.35Å; A178-V198 HydrophobicContact CB-CG2 4.44Å; A178-L213 HydrophobicContact CB-CD1 3.87Å; A178-A376 HydrophobicContact CB-CB 3.93Å; A178-I378 HydrophobicContact CB-CD1 3.82Å; A178-I378 HydrophobicContact CB-CG1 4.36Å; A178-L399 HydrophobicContact CB-CD2 4.38Å
179T90.8Very high88Confident1 Ų154.8 Ų54.81%0.00629%0.285CS..Hα-helixtrans-67.5-43.4179.7-53.10000111.2V175 V176 D177 A181 V182 Y193 L399 V402 L406V175-T179 WeakPolarHBondContact O-CB 3.42Å; V175-T179 PolarHBondContact O-N 3.48Å; V175-T179 PolarHBondContact O-OG1 3.26Å; V176-T179 PolarHBondContact O-N 3.33Å; D177-T179 PolarHBondContact O-N 3.33Å; T179-A181 VanDerWaalsContact C-N 3.32Å; T179-A181 PolarHBondContact O-N 3.46Å; T179-V182 VanDerWaalsContact O-CG2 3.25Å; T179-V182 WeakPolarHBondContact O-CG2 3.44Å; T179-V182 PolarHBondContact O-N 2.93Å; T179-Y193 HydrophobicContact CG2-CD1 4.15Å; T179-Y193 HydrophobicContact CG2-CG 4.31Å; T179-Y193 WeakPolarHBondContact O-CD1 3.26Å; T179-L399 WeakPolarHBondContact OG1-CD2 3.28Å; T179-V402 HydrophobicContact CG2-CG1 4Å; T179-L406 HydrophobicContact CG2-CD1 3.7Å
180L88.9Confident87.6Confident63 Ų6354 Ų5433%0.3328%0.284SS..Hα-helixtrans-66.2-35.6177.4-69.5174.5000111.8V176 D177 V182 K183 L406V176-L180 HydrophobicContact CG1-CD1 3.85Å; V176-L180 HydrophobicContact CG1-CG 4.39Å; V176-L180 WeakPolarHBondContact O-CB 3.48Å; V176-L180 VanDerWaalsContact O-CG 3.29Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 2.98Å; D177-L180 PolarHBondContact O-N 3.14Å; L180-V182 VanDerWaalsContact C-N 3.32Å; L180-V182 PolarHBondContact O-N 3.06Å; L180-K183 VanDerWaalsContact O-CB 3.25Å; L180-K183 WeakPolarHBondContact O-CB 3.29Å; L180-K183 PolarHBondContact O-N 3.01Å; L180-L406 HydrophobicContact CD2-CD1 4.37Å; L180-L406 HydrophobicContact CD2-CD2 4.43Å
181A86.5Confident87.1Confident21 Ų2151.9 Ų51.917%0.17428%0.28CS..Hα-helixtrans-63.5-35.1177.200000112.7D177 A178 T179 K183 T374 A376D177-A181 VanDerWaalsContact O-CB 3.29Å; D177-A181 WeakPolarHBondContact O-CB 3.23Å; D177-A181 PolarHBondContact O-N 3.46Å; A178-A181 PolarHBondContact O-N 3.26Å; T179-A181 VanDerWaalsContact C-N 3.32Å; T179-A181 PolarHBondContact O-N 3.46Å; A181-K183 VanDerWaalsContact C-N 3.28Å; A181-K183 PolarHBondContact O-N 3.3Å; A181-T374 CarbonylContact O-C 3.57Å; A181-T374 VanDerWaalsContact O-CB 3.28Å; A181-T374 WeakPolarHBondContact O-CB 3.41Å; A181-T374 PolarHBondContact O-OG1 3.08Å; A181-A376 HydrophobicContact CB-CB 3.86Å
182V85.6Confident86.7Confident9 Ų958.6 Ų58.66%0.05531%0.306CS..THydrogen-bonded Turntrans-86.26.7-179.6-62.10000114.2A178 T179 L180 F184 P194 V198A178-V182 PolarHBondContact O-N 3.43Å; T179-V182 VanDerWaalsContact O-CG2 3.25Å; T179-V182 WeakPolarHBondContact O-CG2 3.44Å; T179-V182 PolarHBondContact O-N 2.93Å; L180-V182 VanDerWaalsContact C-N 3.32Å; L180-V182 PolarHBondContact O-N 3.06Å; V182-F184 PolarHBondContact O-N 2.98Å; V182-P194 VanDerWaalsContact O-CD 3.31Å; V182-P194 WeakPolarHBondContact O-CD 3.33Å; V182-V198 HydrophobicContact CB-CG2 4.48Å; V182-V198 HydrophobicContact CG1-CG2 3.63Å; V182-V198 HydrophobicContact CG2-CG2 4.06Å
183K86.4Confident86.4Confident112 Ų11259.4 Ų59.449%0.48731%0.309SS..  trans-52.6122.9-179.8-177.5178.2177.4-178.60111.2L180 A181 Y193L180-K183 VanDerWaalsContact O-CB 3.25Å; L180-K183 WeakPolarHBondContact O-CB 3.29Å; L180-K183 PolarHBondContact O-N 3.01Å; A181-K183 VanDerWaalsContact C-N 3.28Å; A181-K183 PolarHBondContact O-N 3.3Å; K183-Y193 HydrophobicContact CB-CD1 3.97Å; K183-Y193 HydrophobicContact CB-CE1 3.62Å; K183-Y193 HydrophobicContact CD-CE1 3.95Å; K183-Y193 HydrophobicContact CG-CD1 4.24Å; K183-Y193 HydrophobicContact CG-CE1 3.57Å
184F82.5Confident85.9Confident66 Ų6658.3 Ų58.329%0.28931%0.305SS..EExtended strand (participates in β ladder)trans-122.2126.5174.9173-112.2000109.9V182 D186 R192 R373V182-F184 PolarHBondContact O-N 2.98Å; F184-D186 HydrophobicContact CE1-CB 4.37Å; F184-R192 PolarHBondContact N-O 2.8Å; F184-R192 PolarHBondContact O-N 3.28Å; F184-R192 VanDerWaalsContact O-O 3.04Å; F184-R373 VanDerWaalsContact CD2-CZ 3.44Å; F184-R373 VanDerWaalsContact CE2-CZ 3.43Å; F184-R373 VanDerWaalsContact CE2-NH1 3.32Å
185V81.7Confident85.5Confident78 Ų7858 Ų5847%0.47330%0.304SS..EExtended strand (participates in β ladder)trans-91119172.8-175.40000108
186D79.1Confident84.8Confident44 Ų4463.5 Ų63.524%0.23533%0.333CS..  trans-67.8164.5177.2-159.65.2000110.8F184 K188 G189 V190F184-D186 HydrophobicContact CE1-CB 4.37Å; D186-K188 PolarHBondContact O-N 3Å; D186-G189 PolarHBondContact O-N 3.34Å; D186-V190 PolarHBondContact N-O 2.94Å
187Q77.8Confident84.3Confident196 Ų19665 Ų6592%0.91634%0.344SS*.THydrogen-bonded Turntrans-56.9-22179-66-178.9-2.900112.9G189Q187-G189 VanDerWaalsContact C-N 3.32Å
188K79.8Confident84.3Confident184 Ų18462.9 Ų62.980%0.833%0.333SS*.THydrogen-bonded Turntrans-85.95.9176.9-60.5-176.7179-177.30114.2D186 V190D186-K188 PolarHBondContact O-N 3Å; K188-V190 PolarHBondContact O-N 3.49Å
189G78.9Confident84.3Confident58 Ų5863.6 Ų63.660%0.59834%0.337SS*.SBendtrans76.83.3-178.800000115.1D186 Q187D186-G189 PolarHBondContact O-N 3.34Å; Q187-G189 VanDerWaalsContact C-N 3.32Å
190V82.6Confident84.4Confident83 Ų8364.8 Ų64.850%0.50334%0.344SS..  trans-83.8122.6177.7-178.30000109.6D186 K188 R192D186-V190 PolarHBondContact N-O 2.94Å; K188-V190 PolarHBondContact O-N 3.49Å; V190-R192 PolarHBondContact O-N 3.2Å
191A83.3Confident84.6Confident33 Ų3362.6 Ų62.627%0.27333%0.333SS..EExtended strand (participates in β ladder)trans-70.9123172.800000110.3Y193A191-Y193 HydrophobicContact CB-CE2 4.31Å
192R84.8Confident84.9Confident142 Ų14265 Ų6554%0.53634%0.339SS..EExtended strand (participates in β ladder)trans-119.3147173.8-69.4-172.9172.3-171.9-2.2109.8F184 V190 P194F184-R192 PolarHBondContact N-O 2.8Å; F184-R192 PolarHBondContact O-N 3.28Å; F184-R192 VanDerWaalsContact O-O 3.04Å; V190-R192 PolarHBondContact O-N 3.2Å; R192-P194 WeakPolarHBondContact O-CD 3.39Å
193Y87.8Confident85.2Confident18 Ų1864.7 Ų64.77%0.07134%0.338CS..  trans-11992.1-178.4-56.5-89.5000108.7T179 K183 A191 I195 K403 L406 E407T179-Y193 HydrophobicContact CG2-CD1 4.15Å; T179-Y193 HydrophobicContact CG2-CG 4.31Å; T179-Y193 WeakPolarHBondContact O-CD1 3.26Å; K183-Y193 HydrophobicContact CB-CD1 3.97Å; K183-Y193 HydrophobicContact CB-CE1 3.62Å; K183-Y193 HydrophobicContact CD-CE1 3.95Å; K183-Y193 HydrophobicContact CG-CD1 4.24Å; K183-Y193 HydrophobicContact CG-CE1 3.57Å; A191-Y193 HydrophobicContact CB-CE2 4.31Å; Y193-I195 PolarHBondContact O-N 3.46Å; Y193-K403 WeakPolarHBondContact O-CD 3.39Å; Y193-L406 HydrophobicContact CD1-CD1 3.95Å; Y193-L406 HydrophobicContact CD2-CB 3.83Å; Y193-L406 HydrophobicContact CD2-CD1 4.17Å; Y193-L406 HydrophobicContact CE1-CD1 3.8Å; Y193-L406 HydrophobicContact CE2-CB 3.49Å; Y193-L406 VanDerWaalsContact CE2-CB 3.49Å; Y193-L406 HydrophobicContact CE2-CD1 4.06Å; Y193-L406 HydrophobicContact CE2-CG 4.28Å; Y193-L406 HydrophobicContact CG-CD1 4.12Å; Y193-E407 HydrophobicContact CD2-CG 4.45Å
194P84.4Confident85.4Confident47 Ų4763.2 Ų63.231%0.30533%0.332SS..  trans-76.488.8179.732.3-34.9000110.1V182 R192 N196 S197V182-P194 VanDerWaalsContact O-CD 3.31Å; V182-P194 WeakPolarHBondContact O-CD 3.33Å; R192-P194 WeakPolarHBondContact O-CD 3.39Å; P194-N196 PolarHBondContact O-N 2.72Å; P194-S197 WeakPolarHBondContact CB-OG 3.44Å; P194-S197 WeakPolarHBondContact CG-OG 3.47Å; P194-S197 WeakPolarHBondContact O-CB 3.37Å; P194-S197 PolarHBondContact O-N 3.22Å; P194-S197 PolarHBondContact O-OG 2.82Å; P194-S197 VanDerWaalsContact O-OG 3.1Å
195I83.9Confident85.6Confident8 Ų861.1 Ų61.14%0.04133%0.329CS..G310 helixtrans-53.8-38.5177.8-61.5157.2000111.9Y193 S197 V198 L399 C400 K403Y193-I195 PolarHBondContact O-N 3.46Å; I195-S197 PolarHBondContact O-N 3.35Å; I195-V198 WeakPolarHBondContact O-CB 3.37Å; I195-V198 PolarHBondContact O-N 3.44Å; I195-L399 HydrophobicContact CB-CB 4.5Å; I195-L399 HydrophobicContact CD1-CB 4.43Å; I195-L399 VanDerWaalsContact CD1-O 3.3Å; I195-L399 WeakPolarHBondContact CD1-O 3.45Å; I195-L399 HydrophobicContact CG1-CB 4.22Å; I195-L399 HydrophobicContact CG2-CB 3.49Å; I195-L399 VanDerWaalsContact CG2-CB 3.49Å; I195-L399 HydrophobicContact CG2-CD1 3.97Å; I195-L399 HydrophobicContact CG2-CG 4.27Å; I195-C400 HydrophobicContact CD1-CB 4.18Å; I195-K403 HydrophobicContact CD1-CB 3.55Å; I195-K403 HydrophobicContact CD1-CD 3.25Å; I195-K403 HydrophobicContact CD1-CG 4.03Å; I195-K403 HydrophobicContact CG1-CB 3.94Å; I195-K403 HydrophobicContact CG1-CD 3.81Å; I195-K403 HydrophobicContact CG1-CG 4.42Å
196N80.4Confident86Confident114 Ų11465.3 Ų65.361%0.6134%0.337SS*.G310 helixtrans-62-0.9175.6-63-3.1000113.2P194 R321P194-N196 PolarHBondContact O-N 2.72Å; N196-R321 PolarHBondContact O-NE 2.8Å; N196-R321 PolarHBondContact O-NH2 3.29Å
197S82.9Confident86.6Confident33 Ų3366.1 Ų66.123%0.23135%0.346CS..G310 helixtrans-93.3-18.9171.8-48.30000112.7P194 I195 N199P194-S197 WeakPolarHBondContact CB-OG 3.44Å; P194-S197 WeakPolarHBondContact CG-OG 3.47Å; P194-S197 WeakPolarHBondContact O-CB 3.37Å; P194-S197 PolarHBondContact O-N 3.22Å; P194-S197 PolarHBondContact O-OG 2.82Å; P194-S197 VanDerWaalsContact O-OG 3.1Å; I195-S197 PolarHBondContact O-N 3.35Å; S197-N199 PolarHBondContact O-N 3.47Å
198V89.6Confident87.1Confident11 Ų1158.6 Ų58.67%0.06731%0.31CS..SBendtrans-71.5120.9170.5-177.30000107.2A178 V182 I195 A376 I378 L399A178-V198 HydrophobicContact CB-CG1 4.35Å; A178-V198 HydrophobicContact CB-CG2 4.44Å; V182-V198 HydrophobicContact CB-CG2 4.48Å; V182-V198 HydrophobicContact CG1-CG2 3.63Å; V182-V198 HydrophobicContact CG2-CG2 4.06Å; I195-V198 WeakPolarHBondContact O-CB 3.37Å; I195-V198 PolarHBondContact O-N 3.44Å; V198-A376 WeakPolarHBondContact CA-O 3.47Å; V198-I378 HydrophobicContact CG1-CD1 4.2Å; V198-I378 HydrophobicContact CG1-CG1 4.35Å; V198-L399 HydrophobicContact CG1-CD1 4.48Å
199N91.8Very high87.7Confident14 Ų1455.6 Ų55.68%0.07530%0.297CS..EExtended strand (participates in β ladder)trans-88.7129174.5-16031.7000109.3S197 Y217 A218 A376 S377 I378S197-N199 PolarHBondContact O-N 3.47Å; N199-Y217 HydrophobicContact CB-CE1 4.29Å; N199-Y217 HydrophobicContact CB-CE2 3.81Å; N199-A218 PolarHBondContact ND2-O 3.38Å; N199-A376 PolarHBondContact N-O 3.4Å; N199-S377 CarbonylContact O-C 3.38Å; N199-S377 WeakPolarHBondContact O-CA 3.46Å; N199-S377 WeakPolarHBondContact O-CB 3.38Å; N199-I378 PolarHBondContact O-N 3.31Å
200V93.4Very high88.3Confident26 Ų2656.9 Ų56.916%0.15829%0.288CS..EExtended strand (participates in β ladder)trans-109121.7175.2-173.90000107.1I378 L380 E392 L395V200-I378 WeakPolarHBondContact CA-O 3.38Å; V200-L380 HydrophobicContact CG1-CD1 3.53Å; V200-L380 HydrophobicContact CG1-CG 3.9Å; V200-E392 HydrophobicContact CB-CG 4.4Å; V200-E392 HydrophobicContact CG1-CB 4.45Å; V200-E392 HydrophobicContact CG1-CG 4.02Å; V200-L395 HydrophobicContact CG1-CD2 4.02Å; V200-L395 HydrophobicContact CG2-CD2 3.9Å
201L92.9Very high88.8Confident17 Ų1753 Ų539%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-112.3140.2175.2-65.2-179.2000108.9A218 N220 L364 I378 I379 L380L201-A218 HydrophobicContact CD1-CB 3.55Å; L201-A218 HydrophobicContact CG-CB 4.45Å; L201-N220 HydrophobicContact CD2-CB 3.94Å; L201-L364 HydrophobicContact CD1-CD1 3.91Å; L201-L364 HydrophobicContact CD1-CD2 4.07Å; L201-I378 PolarHBondContact N-O 3.21Å; L201-I379 HydrophobicContact CB-CG1 4.37Å; L201-I379 WeakPolarHBondContact O-CA 3.23Å; L201-L380 PolarHBondContact O-N 2.96Å
202K93.3Very high89.2Confident72 Ų7255.1 Ų55.131%0.31327%0.266SS..EExtended strand (participates in β ladder)trans-104.2134.2176.7-64.5177.5-66.5-153.10108.6C388 D389 E392K202-C388 HydrophobicContact CB-CB 4.03Å; K202-C388 HydrophobicContact CD-CB 3.9Å; K202-C388 HydrophobicContact CG-CB 4Å; K202-D389 WeakPolarHBondContact CD-OD1 3.49Å; K202-D389 WeakPolarHBondContact CE-OD1 3.21Å; K202-D389 IonicContact NZ-OD1 2.72Å; K202-D389 PolarHBondContact NZ-OD1 3.17Å; K202-E392 HydrophobicContact CD-CB 4.23Å; K202-E392 VanDerWaalsContact CD-OE2 3.25Å; K202-E392 WeakPolarHBondContact CD-OE2 3.5Å; K202-E392 WeakPolarHBondContact CE-OE2 3.44Å; K202-E392 IonicContact NZ-OE2 2.92Å; K202-E392 PolarHBondContact NZ-OE2 3.09Å
203A91.6Very high89.6Confident3 Ų350.3 Ų50.33%0.02525%0.251CS..EExtended strand (participates in β ladder)trans-143.5102.817100000108.2V359 L380 R381A203-V359 HydrophobicContact CB-CG1 3.85Å; A203-L380 PolarHBondContact N-O 2.81Å; A203-R381 WeakPolarHBondContact O-CD 2.84Å
204H91Very high89.8Confident81 Ų8149.8 Ų49.838%0.37525%0.249SC..EExtended strand (participates in β ladder)trans-64.1152.7179.262.8-103.5000111.4C360 G382 D385H204-C360 PolarHBondContact O-SG 2.95Å; H204-G382 CarbonylContact C-O 3.58Å; H204-G382 WeakPolarHBondContact CA-O 3.37Å; H204-D385 IonicContact CE1-OD1 3.14Å; H204-D385 IonicContact CG-OD1 2.74Å; H204-D385 IonicContact ND1-OD1 2.72Å; H204-D385 PolarHBondContact ND1-OD1 2.95Å; H204-D385 IonicContact ND1-OD2 3.2Å
205G87.3Confident89.9Confident22 Ų2252.3 Ų52.323%0.22726%0.261CS..SBendtrans103.8155.6-170.800000113G382G205-G382 PolarHBondContact N-O 3.49Å
206R89.7Confident90.1Very high166 Ų16652 Ų5263%0.62626%0.259SS*.SBendtrans64.7-176.3-173.8-68.9158.1166.7-121.78.6113.9E210R206-E210 HydrophobicContact CB-CB 4.43Å; R206-E210 WeakPolarHBondContact CB-OE2 3.5Å; R206-E210 WeakPolarHBondContact CD-OE2 3.3Å; R206-E210 WeakPolarHBondContact CG-OE2 3.47Å; R206-E210 IonicContact CZ-OE2 3.13Å; R206-E210 IonicContact NE-OE2 2.66Å; R206-E210 IonicContact NH1-OE2 2.75Å; R206-E210 PolarHBondContact NH1-OE2 3.32Å
207S91Very high90.7Very high61 Ų6146.5 Ų46.543%0.42723%0.23SC..  trans-80.9152.8179.1-1800000112K209 E210 R381S207-K209 PolarHBondContact O-N 2.95Å; S207-E210 WeakPolarHBondContact O-CB 3.45Å; S207-E210 PolarHBondContact O-N 3.02Å; S207-R381 WeakPolarHBondContact O-CB 3.37Å
208Q89.8Confident91.1Very high37 Ų3745 Ų4517%0.17322%0.219CC..G310 helixtrans-57.9-34.9175.4-64.7175.351.100112.9F171 E210 S211 R381 M387 M391F171-Q208 HydrophobicContact CZ-CB 4.39Å; Q208-E210 PolarHBondContact O-N 3.5Å; Q208-S211 VanDerWaalsContact O-CB 3.27Å; Q208-S211 WeakPolarHBondContact O-CB 2.93Å; Q208-S211 PolarHBondContact O-N 3.47Å; Q208-S211 PolarHBondContact O-OG 2.87Å; Q208-R381 WeakPolarHBondContact CA-O 3.42Å; Q208-M387 HydrophobicContact CG-CE 4.41Å; Q208-M387 HydrophobicContact CG-SD 4.28Å; Q208-M391 HydrophobicContact CB-CE 4Å; Q208-M391 HydrophobicContact CG-CE 3.89Å; Q208-M391 HydrophobicContact CG-SD 3.94Å
209K91.1Very high91.3Very high121 Ų12144.5 Ų44.553%0.52622%0.216SC..G310 helixtrans-66.4-15.7176.5-65.8-172.8177.6-178.40114D167 F170 S207D167-K209 WeakPolarHBondContact OD1-CE 3.44Å; D167-K209 IonicContact OD1-NZ 2.65Å; D167-K209 PolarHBondContact OD1-NZ 3.01Å; D167-K209 WeakPolarHBondContact OD2-CE 3.24Å; D167-K209 WeakPolarHBondContact OD2-CG 3.42Å; F170-K209 VanDerWaalsContact CZ-O 3.31Å; F170-K209 WeakPolarHBondContact CZ-O 3.47Å; S207-K209 PolarHBondContact O-N 2.95Å
210E91.9Very high91.2Very high85 Ų8548.2 Ų48.240%0.39724%0.236SC..G310 helixtrans-85.83174.4-63.9-176.6-14400112.6R206 S207 Q208 Y212 R381R206-E210 HydrophobicContact CB-CB 4.43Å; R206-E210 WeakPolarHBondContact CB-OE2 3.5Å; R206-E210 WeakPolarHBondContact CD-OE2 3.3Å; R206-E210 WeakPolarHBondContact CG-OE2 3.47Å; R206-E210 IonicContact CZ-OE2 3.13Å; R206-E210 IonicContact NE-OE2 2.66Å; R206-E210 IonicContact NH1-OE2 2.75Å; R206-E210 PolarHBondContact NH1-OE2 3.32Å; S207-E210 WeakPolarHBondContact O-CB 3.45Å; S207-E210 PolarHBondContact O-N 3.02Å; Q208-E210 PolarHBondContact O-N 3.5Å; E210-Y212 WeakPolarHBondContact O-CD1 2.7Å; E210-R381 HydrophobicContact CB-CG 4.3Å
211S93.1Very high91Very high2 Ų248.1 Ų48.11%0.01424%0.236CC..  trans-61142.6165.4-550000109.3F170 M174 Q208 I379 R381F170-S211 WeakPolarHBondContact CE1-O 3.38Å; F170-S211 WeakPolarHBondContact CZ-O 3.38Å; M174-S211 WeakPolarHBondContact CE-O 3.17Å; Q208-S211 VanDerWaalsContact O-CB 3.27Å; Q208-S211 WeakPolarHBondContact O-CB 2.93Å; Q208-S211 PolarHBondContact O-N 3.47Å; Q208-S211 PolarHBondContact O-OG 2.87Å; S211-I379 VanDerWaalsContact CA-O 3.25Å; S211-I379 WeakPolarHBondContact CA-O 3.45Å; S211-I379 WeakPolarHBondContact CB-O 3.35Å; S211-R381 PolarHBondContact OG-N 3.48Å
212Y92.4Very high90.8Very high77 Ų7751 Ų5130%0.30225%0.254SS..EExtended strand (participates in β ladder)trans-143.2153.4-178.662.1-86.2000112.9E210 V214 I379E210-Y212 WeakPolarHBondContact O-CD1 2.7Å; Y212-V214 HydrophobicContact CD2-CG2 3.92Å; Y212-V214 HydrophobicContact CE2-CG2 3.59Å; Y212-I379 HydrophobicContact CE1-CB 4.41Å; Y212-I379 HydrophobicContact CE1-CD1 4.5Å; Y212-I379 HydrophobicContact CE1-CG2 4.43Å; Y212-I379 HydrophobicContact CE2-CD1 3.92Å; Y212-I379 PolarHBondContact N-O 2.9Å; Y212-I379 VanDerWaalsContact N-O 3.17Å; Y212-I379 PolarHBondContact O-N 2.91Å; Y212-I379 VanDerWaalsContact O-N 3.11Å; Y212-I379 WeakPolarHBondContact OH-CD1 3.43Å
213L93.3Very high90.7Very high42 Ų4248.1 Ų48.122%0.2224%0.243CC..EExtended strand (participates in β ladder)trans-84.6125.6174.1-174.663.2000109.5M174 D177 A178 A376 I378M174-L213 HydrophobicContact CG-CB 4.11Å; M174-L213 HydrophobicContact CG-CD1 4.44Å; D177-L213 HydrophobicContact CB-CD2 3.72Å; A178-L213 HydrophobicContact CB-CD1 3.87Å; L213-A376 HydrophobicContact CD1-CB 3.94Å; L213-I378 HydrophobicContact CD1-CD1 4.48Å; L213-I378 HydrophobicContact CD1-CG1 3.73Å
214V91.3Very high90.4Very high6 Ų648.5 Ų48.54%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-94.6118.8168.7-178.60000108Y212 G216 L366 K368 S377 I379Y212-V214 HydrophobicContact CD2-CG2 3.92Å; Y212-V214 HydrophobicContact CE2-CG2 3.59Å; V214-G216 PolarHBondContact O-N 3.14Å; V214-L366 HydrophobicContact CG1-CB 4.49Å; V214-L366 HydrophobicContact CG2-CD1 4.42Å; V214-L366 HydrophobicContact CG2-CD2 4.28Å; V214-K368 HydrophobicContact CG1-CG 4.35Å; V214-S377 PolarHBondContact N-O 3.5Å; V214-S377 PolarHBondContact O-N 3.47Å; V214-S377 VanDerWaalsContact O-N 3.11Å; V214-I379 HydrophobicContact CG2-CD1 3.81Å; V214-I379 HydrophobicContact CG2-CG1 4.31Å
215N87.1Confident90.3Very high101 Ų10146.7 Ų46.754%0.5424%0.243SC..EExtended strand (participates in β ladder)trans-7279169.8-71.7-15.3000109.4K368 N369N215-K368 WeakPolarHBondContact O-CA 3.23Å; N215-N369 PolarHBondContact O-N 3.08Å
216G88.3Confident90.4Very high0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans153-155.5-173.700000112.7V214 V367 C375 A376 S377V214-G216 PolarHBondContact O-N 3.14Å; G216-V367 CarbonylContact C-O 3.38Å; G216-V367 WeakPolarHBondContact CA-O 3.33Å; G216-C375 WeakPolarHBondContact CA-O 3.44Å; G216-C375 PolarHBondContact N-O 3.32Å; G216-C375 CarbonylContact O-C 3.59Å; G216-A376 CarbonylContact O-C 3.48Å; G216-A376 WeakPolarHBondContact O-CA 3.28Å; G216-A376 PolarHBondContact O-N 3.18Å; G216-S377 PolarHBondContact O-N 3.12Å; G216-S377 VanDerWaalsContact O-N 3.17Å; G216-S377 PolarHBondContact O-OG 2.82Å
217Y91.2Very high90.3Very high0 Ų049 Ų490%027%0.269CS..EExtended strand (participates in β ladder)trans-112127.6178-154.6-92.3000110.9N199 D318 R321 I322 V367 S377N199-Y217 HydrophobicContact CB-CE1 4.29Å; N199-Y217 HydrophobicContact CB-CE2 3.81Å; Y217-D318 HydrophobicContact CE1-CB 3.85Å; Y217-D318 PolarHBondContact OH-OD1 2.86Å; Y217-R321 HydrophobicContact CD2-CB 4.33Å; Y217-R321 HydrophobicContact CE2-CB 3.72Å; Y217-R321 HydrophobicContact CE2-CG 4.39Å; Y217-R321 VanDerWaalsContact OH-CD 3.24Å; Y217-R321 WeakPolarHBondContact OH-CD 3.31Å; Y217-R321 PolarHBondContact OH-NH1 3.31Å; Y217-I322 HydrophobicContact CD1-CD1 3.64Å; Y217-I322 HydrophobicContact CD1-CG1 3.38Å; Y217-I322 HydrophobicContact CD2-CG1 4.45Å; Y217-I322 HydrophobicContact CE1-CD1 4.08Å; Y217-I322 HydrophobicContact CE1-CG1 3.96Å; Y217-I322 HydrophobicContact CG-CD1 4.39Å; Y217-I322 HydrophobicContact CG-CG1 3.67Å; Y217-V367 PolarHBondContact N-O 2.97Å; Y217-V367 PolarHBondContact O-N 3.15Å; Y217-S377 WeakPolarHBondContact CA-OG 3.39Å
218A92.6Very high90.3Very high0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-99.9132.2173.100000109.7N199 L201 L366 S377 I379N199-A218 PolarHBondContact ND2-O 3.38Å; L201-A218 HydrophobicContact CD1-CB 3.55Å; L201-A218 HydrophobicContact CG-CB 4.45Å; A218-L366 HydrophobicContact CB-CD2 3.58Å; A218-S377 PolarHBondContact N-OG 2.87Å; A218-I379 HydrophobicContact CB-CD1 4.37Å; A218-I379 HydrophobicContact CB-CG1 4.47Å
219L92.4Very high90.3Very high1 Ų147.5 Ų47.51%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-119.6127.6-177.4-172.390.5000109.5C221 L290 I311 V314 D318 I322 I365L219-C221 VanDerWaalsContact C-N 3.26Å; L219-C221 HydrophobicContact CD2-CB 3.55Å; L219-C221 VanDerWaalsContact CD2-SG 3.59Å; L219-C221 HydrophobicContact CG-CB 4.13Å; L219-C221 PolarHBondContact O-N 3.25Å; L219-C221 VanDerWaalsContact O-N 3.08Å; L219-L290 HydrophobicContact CD2-CD2 4.31Å; L219-I311 HydrophobicContact CD2-CG2 3.92Å; L219-V314 HydrophobicContact CD1-CG1 3.79Å; L219-V314 HydrophobicContact CD2-CG2 4.14Å; L219-D318 HydrophobicContact CD1-CB 3.98Å; L219-I322 HydrophobicContact CD1-CD1 3.93Å; L219-I365 HydrophobicContact CB-CB 4.28Å; L219-I365 HydrophobicContact CD2-CB 4.45Å; L219-I365 PolarHBondContact N-O 2.94Å; L219-I365 PolarHBondContact O-N 3.05Å
220N90.7Very high90.2Very high93 Ų9346.2 Ų46.250%0.49725%0.254SS..  trans-84.669.6172.3-167.4-0.3000110.8L201 L364L201-N220 HydrophobicContact CD2-CB 3.94Å; N220-L364 HydrophobicContact CB-CD2 3.92Å
221C89.4Confident90.3Very high24 Ų2450 Ų5016%0.16227%0.265CS..  trans-142.5155.4171.2-57.90000109.8L219 I311 I365L219-C221 VanDerWaalsContact C-N 3.26Å; L219-C221 HydrophobicContact CD2-CB 3.55Å; L219-C221 VanDerWaalsContact CD2-SG 3.59Å; L219-C221 HydrophobicContact CG-CB 4.13Å; L219-C221 PolarHBondContact O-N 3.25Å; L219-C221 VanDerWaalsContact O-N 3.08Å; C221-I311 HydrophobicContact CB-CG2 3.74Å; C221-I365 WeakPolarHBondContact O-CD1 3.31Å; C221-I365 VanDerWaalsContact O-CG1 3.3Å; C221-I365 WeakPolarHBondContact O-CG1 3.41Å
222T88.7Confident90.2Very high76 Ų7651 Ų5147%0.46627%0.27SS..  trans-95.2160.317250.20000111.3E363T222-E363 HydrophobicContact CG2-CB 4.05Å
223V90.4Very high90.1Very high13 Ų1352 Ų528%0.07928%0.284CS..  trans-63.6148.4168.6-66.80000110.8S225 M309 Q356 I365V223-S225 VanDerWaalsContact C-N 3.3Å; V223-S225 WeakPolarHBondContact CG2-O 3.32Å; V223-S225 PolarHBondContact O-N 2.69Å; V223-M309 HydrophobicContact CG1-CE 4.18Å; V223-M309 HydrophobicContact CG1-CG 3.96Å; V223-M309 HydrophobicContact CG1-SD 4.24Å; V223-Q356 VanDerWaalsContact CG1-OE1 3.29Å; V223-Q356 VanDerWaalsContact CG2-OE1 3.26Å; V223-I365 HydrophobicContact CG1-CD1 4.31Å
224G85.1Confident89.9Confident10 Ų1055.8 Ų55.810%0.10331%0.305CS..SBendtrans-63.9-32.6-175.400000113.9L300 A310G224-L300 VanDerWaalsContact O-CD1 3.26Å; G224-L300 WeakPolarHBondContact O-CD1 3.09Å; G224-A310 PolarHBondContact N-O 2.8Å
225S90.6Very high89.8Confident44 Ų4455.5 Ų55.531%0.30830%0.303SS..  trans-140.1145.9176.5177.30000111V223 G227 M228V223-S225 VanDerWaalsContact C-N 3.3Å; V223-S225 WeakPolarHBondContact CG2-O 3.32Å; V223-S225 PolarHBondContact O-N 2.69Å; S225-G227 PolarHBondContact O-N 3.38Å; S225-G227 PolarHBondContact OG-N 3.13Å; S225-M228 WeakPolarHBondContact O-CB 3.39Å; S225-M228 WeakPolarHBondContact O-CG 3.38Å; S225-M228 PolarHBondContact O-N 3.49Å
226Q87.8Confident90.1Very high181 Ų18154.6 Ų54.685%0.84629%0.294SS*.THydrogen-bonded Turntrans-66.2-22.6178.8-66.9-177.1-4.600113.4M228Q226-M228 PolarHBondContact O-N 3.3Å
227G87.9Confident90.4Very high54 Ų5454.6 Ų54.656%0.55729%0.294SS*.THydrogen-bonded Turntrans-75.4-3.3176.300000114.2S225S225-G227 PolarHBondContact O-N 3.38Å; S225-G227 PolarHBondContact OG-N 3.13Å
228M91.1Very high90.6Very high8 Ų854.6 Ų54.64%0.03929%0.294CS..SBendtrans-78.4153.9179.2-66.4-178.6172.100112S225 Q226 K230 L300 F303 V304 A310S225-M228 WeakPolarHBondContact O-CB 3.39Å; S225-M228 WeakPolarHBondContact O-CG 3.38Å; S225-M228 PolarHBondContact O-N 3.49Å; Q226-M228 PolarHBondContact O-N 3.3Å; M228-K230 PolarHBondContact O-N 3.13Å; M228-L300 HydrophobicContact CE-CB 4Å; M228-L300 HydrophobicContact CE-CD2 3.53Å; M228-L300 HydrophobicContact CE-CG 4.36Å; M228-F303 HydrophobicContact CE-CB 3.76Å; M228-V304 HydrophobicContact CE-CG2 3.97Å; M228-V304 HydrophobicContact CG-CG2 3.61Å; M228-A310 HydrophobicContact CE-CB 3.9Å; M228-A310 HydrophobicContact SD-CB 4.12Å; M228-A310 PolarHBondContact SD-N 3.43Å; M228-A310 VanDerWaalsContact SD-N 3.43Å
229V89.5Confident90.7Very high59 Ų5954.6 Ų54.636%0.35829%0.294SS..  trans-65.8125.3174.9-171.90000109.2R231 L232 M309V229-R231 VanDerWaalsContact CG1-O 3.23Å; V229-R231 WeakPolarHBondContact CG1-O 3.33Å; V229-L232 HydrophobicContact CB-CD2 4.3Å; V229-L232 HydrophobicContact CB-CG 4.48Å; V229-L232 HydrophobicContact CG1-CD2 4.01Å; V229-L232 HydrophobicContact CG1-CG 4.23Å; V229-M309 WeakPolarHBondContact O-CE 3.39Å
230K90.4Very high90.8Very high95 Ų9554.5 Ų54.541%0.41329%0.294SS..SBendtrans-84.8-15.9-178.5-63.3-167.5177.4-167.10114.1M228 V355 Q356 E363M228-K230 PolarHBondContact O-N 3.13Å; K230-V355 CarbonylContact O-C 3.59Å; K230-V355 WeakPolarHBondContact O-CA 3.37Å; K230-Q356 HydrophobicContact CB-CB 4.26Å; K230-Q356 PolarHBondContact O-N 3Å; K230-E363 IonicContact NZ-OE1 2.62Å
231R92.4Very high90.9Very high164 Ų16452 Ų5262%0.61928%0.28SS*.EExtended strand (participates in β ladder)trans-138.9122.7-177-173.6177.9-172.9-179.54.6110.6V229 E353 V355V229-R231 VanDerWaalsContact CG1-O 3.23Å; V229-R231 WeakPolarHBondContact CG1-O 3.33Å; R231-E353 IonicContact CZ-OE1 2.91Å; R231-E353 IonicContact NE-OE1 3.05Å; R231-E353 PolarHBondContact NE-OE1 3.5Å; R231-E353 IonicContact NH2-OE1 3.39Å; R231-E353 PolarHBondContact NH2-OE1 3.02Å; R231-E353 IonicContact NH2-OE2 2.65Å; R231-V355 HydrophobicContact CB-CG2 4.24Å; R231-V355 HydrophobicContact CG-CB 4.4Å; R231-V355 HydrophobicContact CG-CG2 4.08Å
232L91.2Very high91Very high23 Ų2352.5 Ų52.512%0.1228%0.28CS..EExtended strand (participates in β ladder)trans-130.1122.9-178.3-72.9166.6000110.4V229 V288 M309 E353 V354V229-L232 HydrophobicContact CB-CD2 4.3Å; V229-L232 HydrophobicContact CB-CG 4.48Å; V229-L232 HydrophobicContact CG1-CD2 4.01Å; V229-L232 HydrophobicContact CG1-CG 4.23Å; L232-V288 HydrophobicContact CD1-CG2 3.7Å; L232-M309 HydrophobicContact CD1-CB 3.54Å; L232-M309 HydrophobicContact CD1-CE 4.48Å; L232-E353 WeakPolarHBondContact O-CA 3.41Å; L232-V354 PolarHBondContact N-O 3.33Å; L232-V354 PolarHBondContact O-N 2.88Å
233T90.1Very high91.1Very high98 Ų9851.5 Ų51.560%0.60128%0.276SS*.EExtended strand (participates in β ladder)trans-93.8146.3171.954.50000110.7E352T233-E352 CarbonylContact C-O 3.5Å; T233-E352 WeakPolarHBondContact CA-O 3.43Å
234N89.8Confident91.1Very high121 Ų12151.1 Ų51.165%0.64727%0.273SS*.EExtended strand (participates in β ladder)trans51.857.2-172.6-71.4-43.9000112.8E352N234-E352 PolarHBondContact N-O 3.35Å
235A89.8Confident91.2Very high1 Ų154.6 Ų54.61%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-76.9129.9-175.300000112.4V288 C351 V354A235-V288 HydrophobicContact CB-CG2 3.81Å; A235-C351 VanDerWaalsContact CB-SG 3.56Å; A235-C351 PolarHBondContact N-O 3.13Å; A235-C351 PolarHBondContact O-N 3.37Å; A235-C351 VanDerWaalsContact O-N 3.07Å; A235-V354 HydrophobicContact CB-CB 4.29Å; A235-V354 HydrophobicContact CB-CG2 3.68Å
236K93.8Very high91Very high81 Ų8157.6 Ų57.635%0.35230%0.295SS..EExtended strand (participates in β ladder)trans-97114.6166.4-71171.6174.6-177.40108.5G285 N287 V288 L348 G349K236-G285 WeakPolarHBondContact CD-O 3.47Å; K236-N287 PolarHBondContact O-N 3.06Å; K236-V288 PolarHBondContact O-N 3.21Å; K236-L348 HydrophobicContact CB-CD1 4.34Å; K236-L348 HydrophobicContact CD-CD1 4.37Å; K236-G349 CarbonylContact C-O 3.55Å; K236-G349 WeakPolarHBondContact CA-O 3.43Å
237V93.4Very high90.5Very high0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-101.6120-170.7-175.10000110.2V288 L290 T326 G349 C351V237-V288 CarbonylContact C-O 3.54Å; V237-V288 WeakPolarHBondContact CA-O 3.4Å; V237-V288 HydrophobicContact CG1-CG1 4.42Å; V237-V288 HydrophobicContact CG2-CB 4.21Å; V237-L290 HydrophobicContact CG1-CD1 3.55Å; V237-L290 HydrophobicContact CG1-CG 4.13Å; V237-T326 HydrophobicContact CG2-CG2 4.33Å; V237-G349 PolarHBondContact N-O 3.38Å; V237-G349 PolarHBondContact O-N 3.49Å; V237-C351 WeakPolarHBondContact CG2-SG 3.2Å
238A94.8Very high90.1Very high0 Ų057.2 Ų57.20%028%0.278CS..EExtended strand (participates in β ladder)trans-95.9127.217000000110A286 V288 I289 L290 F343 L348A238-A286 HydrophobicContact CB-CB 4.05Å; A238-V288 PolarHBondContact N-O 2.93Å; A238-I289 HydrophobicContact CB-CG1 4.39Å; A238-L290 PolarHBondContact O-N 3.38Å; A238-F343 HydrophobicContact CB-CE1 4.22Å; A238-F343 HydrophobicContact CB-CZ 3.92Å; A238-L348 HydrophobicContact CB-CD2 3.84Å
239C94.8Very high89.6Confident0 Ų061 Ų610%030%0.297CS..EExtended strand (participates in β ladder)trans-107.7107.9177.4-66.70000110.4L319 A323 A328 I330 C331C239-L319 HydrophobicContact CB-CD1 3.71Å; C239-L319 HydrophobicContact CB-CD2 4.36Å; C239-L319 HydrophobicContact CB-CG 4.02Å; C239-A323 HydrophobicContact CB-CB 4.36Å; C239-A328 HydrophobicContact CB-CB 4.37Å; C239-I330 HydrophobicContact CB-CG1 4.48Å; C239-C331 PolarHBondContact O-N 3Å
240L94.3Very high89.2Confident0 Ų066.9 Ų66.90%032%0.318CS..EExtended strand (participates in β ladder)trans-111.8132-174.1-51.3-180000111.1F242 L244 I281 I289 L290 T291 T292 L319 C331 F343L240-F242 HydrophobicContact CB-CD1 4.28Å; L240-F242 HydrophobicContact CB-CE1 3.94Å; L240-F242 HydrophobicContact CB-CZ 4.29Å; L240-F242 HydrophobicContact CD1-CE1 4.48Å; L240-F242 HydrophobicContact CD1-CZ 4.04Å; L240-F242 HydrophobicContact CD2-CE1 3.9Å; L240-F242 HydrophobicContact CD2-CZ 4.07Å; L240-F242 HydrophobicContact CG-CE1 4.31Å; L240-F242 HydrophobicContact CG-CZ 4.36Å; L240-L244 HydrophobicContact CD1-CD1 4.38Å; L240-I281 HydrophobicContact CD1-CD1 3.77Å; L240-I289 HydrophobicContact CD1-CG2 3.66Å; L240-I289 HydrophobicContact CG-CG2 4.36Å; L240-L290 PolarHBondContact N-O 3.35Å; L240-T291 HydrophobicContact CB-CG2 4.42Å; L240-T291 WeakPolarHBondContact O-CA 3.35Å; L240-T292 PolarHBondContact O-N 3.09Å; L240-L319 WeakPolarHBondContact O-CD2 3.45Å; L240-C331 HydrophobicContact CD2-CB 4Å; L240-F343 HydrophobicContact CD2-CE2 3.78Å; L240-F343 HydrophobicContact CD2-CZ 4.31Å
241D93.9Very high88.8Confident39 Ų3971.6 Ų71.621%0.20934%0.344CS..  trans-109.340.7176.7-16629.9000112.5T292 K316 I330 C331D241-T292 VanDerWaalsContact CA-OG1 3.31Å; D241-T292 WeakPolarHBondContact CA-OG1 2.88Å; D241-T292 HydrophobicContact CB-CG2 4.4Å; D241-T292 WeakPolarHBondContact OD1-CB 3Å; D241-T292 WeakPolarHBondContact OD1-CG2 3.18Å; D241-T292 PolarHBondContact OD1-OG1 3.43Å; D241-K316 IonicContact OD1-NZ 2.75Å; D241-K316 WeakPolarHBondContact OD2-CE 3.19Å; D241-K316 IonicContact OD2-NZ 3.9Å; D241-K316 PolarHBondContact OD2-NZ 2.9Å; D241-I330 HydrophobicContact CB-CG2 3.85Å; D241-C331 PolarHBondContact N-O 2.75Å
242F90.6Very high88.4Confident36 Ų3667.6 Ų67.616%0.15835%0.354CS..SBendtrans-149.3156.2175.460.8-90.1000110.8L240 L244 I281 T291 L334L240-F242 HydrophobicContact CB-CD1 4.28Å; L240-F242 HydrophobicContact CB-CE1 3.94Å; L240-F242 HydrophobicContact CB-CZ 4.29Å; L240-F242 HydrophobicContact CD1-CE1 4.48Å; L240-F242 HydrophobicContact CD1-CZ 4.04Å; L240-F242 HydrophobicContact CD2-CE1 3.9Å; L240-F242 HydrophobicContact CD2-CZ 4.07Å; L240-F242 HydrophobicContact CG-CE1 4.31Å; L240-F242 HydrophobicContact CG-CZ 4.36Å; F242-L244 HydrophobicContact CD2-CD2 4.36Å; F242-L244 HydrophobicContact CE2-CD2 3.67Å; F242-L244 HydrophobicContact CE2-CG 4.43Å; F242-I281 HydrophobicContact CZ-CD1 4.45Å; F242-T291 WeakPolarHBondContact O-CG2 3.36Å; F242-L334 HydrophobicContact CE1-CD2 4.39Å; F242-L334 HydrophobicContact CE1-CG 4.13Å; F242-L334 HydrophobicContact CE2-CD1 4.21Å; F242-L334 HydrophobicContact CE2-CG 4.37Å; F242-L334 HydrophobicContact CZ-CD1 3.87Å; F242-L334 HydrophobicContact CZ-CD2 3.98Å; F242-L334 HydrophobicContact CZ-CG 3.64Å
243S91.4Very high88.1Confident55 Ų5570.6 Ų70.639%0.38537%0.373SS..  trans-79.5144.1179.8-58.60000112.7G293 G294S243-G293 VanDerWaalsContact OG-CA 3.24Å; S243-G293 WeakPolarHBondContact OG-CA 3.45Å; S243-G294 CarbonylContact C-O 3.52Å; S243-G294 WeakPolarHBondContact CA-O 3.45Å; S243-G294 WeakPolarHBondContact CB-O 3.47Å; S243-G294 PolarHBondContact OG-N 3.27Å
244L90.2Very high87.8Confident4 Ų474.8 Ų74.82%0.02139%0.386CS..BIsolated β-bridgetrans-101.475.1170.7-66.8175000109.4L240 F242 I278 I281 G294 I295 D296 F303L240-L244 HydrophobicContact CD1-CD1 4.38Å; F242-L244 HydrophobicContact CD2-CD2 4.36Å; F242-L244 HydrophobicContact CE2-CD2 3.67Å; F242-L244 HydrophobicContact CE2-CG 4.43Å; L244-I278 HydrophobicContact CD1-CG1 4.42Å; L244-I278 HydrophobicContact CD2-CG1 4.31Å; L244-I281 HydrophobicContact CD2-CD1 4.39Å; L244-G294 PolarHBondContact N-O 3.18Å; L244-I295 HydrophobicContact CB-CG1 4.27Å; L244-I295 HydrophobicContact CB-CG2 4.13Å; L244-I295 HydrophobicContact CD1-CG1 4.48Å; L244-I295 WeakPolarHBondContact O-CA 3.49Å; L244-D296 PolarHBondContact O-N 2.85Å; L244-F303 HydrophobicContact CD1-CE2 3.86Å; L244-F303 HydrophobicContact CD1-CZ 3.73Å
245Q88.6Confident87.3Confident83 Ų8372.4 Ų72.439%0.38838%0.375SS..SBendtrans-129.7160.1-178.3-58.2-170.9-60.700110.2T247 T274 D296Q245-T247 PolarHBondContact O-N 3.44Å; Q245-T247 VanDerWaalsContact O-N 3.08Å; Q245-T274 WeakPolarHBondContact O-CG2 3.39Å; Q245-D296 VanDerWaalsContact CA-OD2 3.26Å; Q245-D296 WeakPolarHBondContact CA-OD2 3.38Å; Q245-D296 WeakPolarHBondContact CB-OD2 3.16Å; Q245-D296 WeakPolarHBondContact CG-OD1 3.32Å; Q245-D296 PolarHBondContact NE2-OD1 2.89Å
246K84.4Confident87.2Confident107 Ų10779.5 Ų79.547%0.46541%0.412SS..  trans-47.2120.9173.8-72.9-175177.7-176.30109.6K248 D296K246-K248 PolarHBondContact O-N 2.75Å; K246-D296 PolarHBondContact N-OD2 3.39Å
247T79.1Confident86.8Confident43 Ų4378.6 Ų78.626%0.26441%0.411SS..  trans-72.1107.9-173.3-62.50000108.1Q245Q245-T247 PolarHBondContact O-N 3.44Å; Q245-T247 VanDerWaalsContact O-N 3.08Å
248K79.4Confident86.6Confident184 Ų18485 Ų8580%0.845%0.445SS*.PPolyproline II helixtrans-76143.8169.7-66.3-173.9179.3-1780109.3K246K246-K248 PolarHBondContact O-N 2.75Å
249M80.1Confident86.4Confident87 Ų8788.6 Ų88.643%0.42946%0.464SS..PPolyproline II helixtrans-61.5149.9171.7-61-156-175.700110.9V253 V255 I266M249-V253 HydrophobicContact CB-CB 4.19Å; M249-V253 HydrophobicContact CB-CG1 4.41Å; M249-V253 HydrophobicContact SD-CB 4.4Å; M249-V253 HydrophobicContact SD-CG1 3.62Å; M249-V255 HydrophobicContact CE-CG2 3.63Å; M249-V255 HydrophobicContact SD-CG2 3.33Å; M249-V255 WeakPolarHBondContact SD-CG2 3.46Å; M249-I266 HydrophobicContact CE-CG2 4.07Å
250K80.4Confident86Confident183 Ų18393.9 Ų93.980%0.79650%0.498SS*.PPolyproline II helixtrans-62.5147.8177.7-71.1-173.9178-179.90110.2G252 V253K250-G252 PolarHBondContact O-N 3.48Å; K250-V253 PolarHBondContact O-N 3.21Å; K250-V253 VanDerWaalsContact O-N 3.13Å
251M81.8Confident85.7Confident194 Ų194101.4 Ų101.496%0.95653%0.533SS*.THydrogen-bonded Turntrans-53.1130.6172.2-70.3-67.5-7200110
252G84.1Confident85.4Confident81 Ų81104.6 Ų104.684%0.83555%0.545SS*.THydrogen-bonded Turntrans99.1-7.8-176.900000115K250K250-G252 PolarHBondContact O-N 3.48Å
253V85.8Confident85.1Confident85 Ų85106.2 Ų106.252%0.51556%0.555SS.*  trans-88.6113.5169.4-176.60000109.1M249 K250M249-V253 HydrophobicContact CB-CB 4.19Å; M249-V253 HydrophobicContact CB-CG1 4.41Å; M249-V253 HydrophobicContact SD-CB 4.4Å; M249-V253 HydrophobicContact SD-CG1 3.62Å; K250-V253 PolarHBondContact O-N 3.21Å; K250-V253 VanDerWaalsContact O-N 3.13Å
254Q82.6Confident84.9Confident187 Ų187108 Ų10887%0.87456%0.561SS**  trans-100.1121.4171-67.7-178.4-3.200109.1L256Q254-L256 PolarHBondContact O-N 3.36Å
255V81.3Confident84.7Confident71 Ų71113.6 Ų113.643%0.4359%0.587SS.*  trans-91.3102.3177.4-171.30000107.9M249 I257 I266M249-V255 HydrophobicContact CE-CG2 3.63Å; M249-V255 HydrophobicContact SD-CG2 3.33Å; M249-V255 WeakPolarHBondContact SD-CG2 3.46Å; V255-I257 HydrophobicContact CG1-CD1 4Å; V255-I257 HydrophobicContact CG1-CG1 3.74Å; V255-I266 HydrophobicContact CG1-CD1 3.78Å
256L86.4Confident84.6Confident150 Ų150112 Ų11279%0.78558%0.581SS**  trans-87.1117172.9-156.695.7000108.9Q254Q254-L256 PolarHBondContact O-N 3.36Å
257I86.2Confident84.6Confident62 Ų62114.6 Ų114.632%0.31859%0.587SS.*  trans-112.3114.8-176.8-57.7173.4000108.3V255 D259 K262 L263 I266V255-I257 HydrophobicContact CG1-CD1 4Å; V255-I257 HydrophobicContact CG1-CG1 3.74Å; I257-D259 WeakPolarHBondContact CG2-O 3.44Å; I257-K262 HydrophobicContact CG2-CB 4.48Å; I257-L263 HydrophobicContact CD1-CB 4.06Å; I257-L263 HydrophobicContact CD1-CD1 3.81Å; I257-L263 HydrophobicContact CD1-CG 4.06Å; I257-L263 HydrophobicContact CG2-CB 4.36Å; I257-I266 HydrophobicContact CD1-CD1 4.04Å; I257-I266 HydrophobicContact CG1-CD1 4.21Å
258N88.9Confident84.9Confident134 Ų134118.3 Ų118.372%0.71760%0.602SS**SBendtrans-92.1-23.6175.9-62.1-16.7000112.2
259D90.6Very high85.3Confident75 Ų75115.2 Ų115.240%0.40159%0.585SS.*SBendtrans-117.6123.5-177.2-54.9-45.2000110.6I257 E261 K262I257-D259 WeakPolarHBondContact CG2-O 3.44Å; D259-E261 VanDerWaalsContact C-N 3.27Å; D259-E261 PolarHBondContact O-N 2.94Å; D259-K262 HydrophobicContact CB-CD 4.17Å; D259-K262 HydrophobicContact CB-CG 4.29Å; D259-K262 PolarHBondContact O-N 3.06Å; D259-K262 WeakPolarHBondContact OD2-CE 3.32Å; D259-K262 IonicContact OD2-NZ 3.44Å; D259-K262 PolarHBondContact OD2-NZ 3.36Å
260P87.2Confident85.5Confident111 Ų111113.7 Ų113.772%0.72158%0.577SS**Hα-helixtrans-57.5-34.2179.8-26.434.5000114.3K262 L263P260-K262 VanDerWaalsContact C-N 3.28Å; P260-K262 PolarHBondContact O-N 3.15Å; P260-L263 WeakPolarHBondContact O-CB 3.25Å; P260-L263 PolarHBondContact O-N 3.11Å; P260-L263 VanDerWaalsContact O-N 3.1Å
261E87.3Confident85.7Confident158 Ų158106.8 Ų106.874%0.73855%0.551SS**Hα-helixtrans-64.9-30.5-179.2-63.4-176.2171.300113.1D259 L263 D264D259-E261 VanDerWaalsContact C-N 3.27Å; D259-E261 PolarHBondContact O-N 2.94Å; E261-L263 PolarHBondContact O-N 3.48Å; E261-D264 PolarHBondContact O-N 2.98Å
262K86.8Confident86Confident106 Ų106100.4 Ų100.446%0.46152%0.521SS..Hα-helixtrans-70.5-23.6176.7-72.1176.6-179.6152.90112.1I257 D259 P260 D264 Q265 I266I257-K262 HydrophobicContact CG2-CB 4.48Å; D259-K262 HydrophobicContact CB-CD 4.17Å; D259-K262 HydrophobicContact CB-CG 4.29Å; D259-K262 PolarHBondContact O-N 3.06Å; D259-K262 WeakPolarHBondContact OD2-CE 3.32Å; D259-K262 IonicContact OD2-NZ 3.44Å; D259-K262 PolarHBondContact OD2-NZ 3.36Å; P260-K262 VanDerWaalsContact C-N 3.28Å; P260-K262 PolarHBondContact O-N 3.15Å; K262-D264 VanDerWaalsContact C-N 3.35Å; K262-Q265 PolarHBondContact O-N 3.22Å; K262-I266 WeakPolarHBondContact O-CD1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.37Å; K262-I266 PolarHBondContact O-N 3.39Å
263L85.5Confident86.2Confident70 Ų7098.8 Ų98.837%0.36649%0.493SS..Hα-helixtrans-63.1-42.5177.7-172134.9000111.4I257 P260 E261 I266 R267I257-L263 HydrophobicContact CD1-CB 4.06Å; I257-L263 HydrophobicContact CD1-CD1 3.81Å; I257-L263 HydrophobicContact CD1-CG 4.06Å; I257-L263 HydrophobicContact CG2-CB 4.36Å; P260-L263 WeakPolarHBondContact O-CB 3.25Å; P260-L263 PolarHBondContact O-N 3.11Å; P260-L263 VanDerWaalsContact O-N 3.1Å; E261-L263 PolarHBondContact O-N 3.48Å; L263-I266 PolarHBondContact O-N 3.4Å; L263-R267 WeakPolarHBondContact O-CG 3.31Å; L263-R267 PolarHBondContact O-N 3.39Å; L263-R267 VanDerWaalsContact O-N 3.11Å
264D85.9Confident86.2Confident92 Ų9295.1 Ų95.149%0.49247%0.471SS..Hα-helixtrans-70-38.8177.9-76.8-19.2000111.9E261 K262 I266 R267 Q268E261-D264 PolarHBondContact O-N 2.98Å; K262-D264 VanDerWaalsContact C-N 3.35Å; D264-I266 PolarHBondContact O-N 3.16Å; D264-R267 PolarHBondContact O-N 2.67Å; D264-Q268 WeakPolarHBondContact O-CB 3.24Å; D264-Q268 WeakPolarHBondContact O-CG 3.33Å; D264-Q268 PolarHBondContact O-N 3.24Å
265Q87.1Confident86.5Confident122 Ų12289.6 Ų89.657%0.5744%0.444SS*.Hα-helixtrans-62.2-41.9175.3-66.5178.55.600112.1K262 Q268 R269K262-Q265 PolarHBondContact O-N 3.22Å; Q265-Q268 PolarHBondContact O-N 3.1Å; Q265-R269 WeakPolarHBondContact O-CB 3.35Å; Q265-R269 PolarHBondContact O-N 3.22Å
266I85.8Confident86.9Confident51 Ų5189.6 Ų89.626%0.26244%0.439SS..Hα-helixtrans-64.7-44.8177.6-68.3165000110.3M249 V255 I257 K262 L263 D264 Q268 R269 E270M249-I266 HydrophobicContact CE-CG2 4.07Å; V255-I266 HydrophobicContact CG1-CD1 3.78Å; I257-I266 HydrophobicContact CD1-CD1 4.04Å; I257-I266 HydrophobicContact CG1-CD1 4.21Å; K262-I266 WeakPolarHBondContact O-CD1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.37Å; K262-I266 PolarHBondContact O-N 3.39Å; L263-I266 PolarHBondContact O-N 3.4Å; D264-I266 PolarHBondContact O-N 3.16Å; I266-Q268 VanDerWaalsContact C-N 3.33Å; I266-Q268 PolarHBondContact O-N 3.08Å; I266-R269 PolarHBondContact O-N 2.87Å; I266-E270 WeakPolarHBondContact O-CG 3.5Å; I266-E270 PolarHBondContact O-N 3.41Å
267R84.4Confident87Confident161 Ų16185.2 Ų85.261%0.60841%0.412SS*.Hα-helixtrans-61.2-39.8176.1-78179.6140179.5-3.7113L263 D264 S271L263-R267 WeakPolarHBondContact O-CG 3.31Å; L263-R267 PolarHBondContact O-N 3.39Å; L263-R267 VanDerWaalsContact O-N 3.11Å; D264-R267 PolarHBondContact O-N 2.67Å; R267-S271 PolarHBondContact O-OG 2.76Å
268Q86.6Confident87.2Confident120 Ų12082.3 Ų82.356%0.56140%0.397SS*.Hα-helixtrans-65.2-46.4174.2-74.4176.29.800110.5D264 Q265 I266 E270 S271 D272D264-Q268 WeakPolarHBondContact O-CB 3.24Å; D264-Q268 WeakPolarHBondContact O-CG 3.33Å; D264-Q268 PolarHBondContact O-N 3.24Å; Q265-Q268 PolarHBondContact O-N 3.1Å; I266-Q268 VanDerWaalsContact C-N 3.33Å; I266-Q268 PolarHBondContact O-N 3.08Å; Q268-E270 VanDerWaalsContact C-N 3.33Å; Q268-E270 PolarHBondContact O-N 3.42Å; Q268-S271 CarbonylContact O-C 3.54Å; Q268-S271 WeakPolarHBondContact O-CA 3.5Å; Q268-S271 WeakPolarHBondContact O-CB 3.42Å; Q268-S271 PolarHBondContact O-N 3.22Å; Q268-D272 PolarHBondContact O-N 3.22Å
269R87.4Confident87.3Confident119 Ų11981.2 Ų81.245%0.44939%0.388SS..Hα-helixtrans-60.3-39-179.7-168.367.8-167.51507.4113Q265 I266 S271 D272 I273 E276Q265-R269 WeakPolarHBondContact O-CB 3.35Å; Q265-R269 PolarHBondContact O-N 3.22Å; I266-R269 PolarHBondContact O-N 2.87Å; R269-S271 PolarHBondContact O-N 2.89Å; R269-D272 PolarHBondContact O-N 3.11Å; R269-I273 HydrophobicContact CG-CD1 4.28Å; R269-I273 HydrophobicContact CG-CG1 4.48Å; R269-I273 WeakPolarHBondContact O-CD1 3.47Å; R269-I273 VanDerWaalsContact O-CG1 3.24Å; R269-I273 WeakPolarHBondContact O-CG1 3.33Å; R269-I273 PolarHBondContact O-N 3.24Å; R269-E276 IonicContact CZ-OE1 3.67Å; R269-E276 IonicContact NH1-OE1 2.64Å; R269-E276 PolarHBondContact NH1-OE1 3.27Å; R269-E276 IonicContact NH2-OE1 2.75Å; R269-E276 PolarHBondContact NH2-OE1 3.4Å; R269-E276 IonicContact NH2-OE2 3.69Å; R269-E276 PolarHBondContact NH2-OE2 2.89Å
270E84.6Confident87.2Confident56 Ų5681.1 Ų81.126%0.26238%0.384SS..Hα-helixtrans-57.3-35.6173.9-73.6-177.8165.500112.7I266 Q268I266-E270 WeakPolarHBondContact O-CG 3.5Å; I266-E270 PolarHBondContact O-N 3.41Å; Q268-E270 VanDerWaalsContact C-N 3.33Å; Q268-E270 PolarHBondContact O-N 3.42Å
271S84.7Confident87.4Confident37 Ų3775.9 Ų75.926%0.25935%0.35SS..Hα-helixtrans-80.4-39.4177.1-57.20000111.5R267 Q268 R269 I273 T274 K275R267-S271 PolarHBondContact O-OG 2.76Å; Q268-S271 CarbonylContact O-C 3.54Å; Q268-S271 WeakPolarHBondContact O-CA 3.5Å; Q268-S271 WeakPolarHBondContact O-CB 3.42Å; Q268-S271 PolarHBondContact O-N 3.22Å; R269-S271 PolarHBondContact O-N 2.89Å; S271-I273 VanDerWaalsContact C-N 3.35Å; S271-I273 PolarHBondContact O-N 3Å; S271-T274 PolarHBondContact O-N 3.01Å; S271-T274 PolarHBondContact O-OG1 3.09Å; S271-K275 PolarHBondContact O-N 2.94Å; S271-K275 VanDerWaalsContact O-N 3.08Å
272D87.8Confident87.6Confident60 Ų6069.7 Ų69.732%0.32132%0.322SS..Hα-helixtrans-63.9-38.3179.8-67.4-29000112.3Q268 R269 T274 K275 E276Q268-D272 PolarHBondContact O-N 3.22Å; R269-D272 PolarHBondContact O-N 3.11Å; D272-T274 VanDerWaalsContact C-N 3.26Å; D272-T274 PolarHBondContact O-N 3.25Å; D272-K275 WeakPolarHBondContact O-CB 3.27Å; D272-K275 PolarHBondContact O-N 2.92Å; D272-K275 VanDerWaalsContact O-N 3.08Å; D272-E276 WeakPolarHBondContact O-CG 3.23Å; D272-E276 PolarHBondContact O-N 3.43Å
273I87.3Confident87.7Confident47 Ų4768.9 Ų68.924%0.24134%0.335CS..Hα-helixtrans-55.8-44175.1-68.6161.5000110.7R269 S271 R277R269-I273 HydrophobicContact CG-CD1 4.28Å; R269-I273 HydrophobicContact CG-CG1 4.48Å; R269-I273 WeakPolarHBondContact O-CD1 3.47Å; R269-I273 VanDerWaalsContact O-CG1 3.24Å; R269-I273 WeakPolarHBondContact O-CG1 3.33Å; R269-I273 PolarHBondContact O-N 3.24Å; S271-I273 VanDerWaalsContact C-N 3.35Å; S271-I273 PolarHBondContact O-N 3Å; I273-R277 WeakPolarHBondContact O-CG 3.4Å; I273-R277 PolarHBondContact O-N 3.07Å
274T86.3Confident87.8Confident8 Ų866.1 Ų66.15%0.04932%0.321CS..Hα-helixtrans-69.3-36.8178.663.10000112.2Q245 S271 D272 R277 I278Q245-T274 WeakPolarHBondContact O-CG2 3.39Å; S271-T274 PolarHBondContact O-N 3.01Å; S271-T274 PolarHBondContact O-OG1 3.09Å; D272-T274 VanDerWaalsContact C-N 3.26Å; D272-T274 PolarHBondContact O-N 3.25Å; T274-R277 PolarHBondContact O-N 2.97Å; T274-I278 WeakPolarHBondContact O-CD1 3.45Å; T274-I278 VanDerWaalsContact O-CG1 3.27Å; T274-I278 WeakPolarHBondContact O-CG1 3.35Å; T274-I278 PolarHBondContact O-N 3.38Å
275K89.1Confident87.9Confident71 Ų7162.9 Ų62.931%0.30931%0.31SS..Hα-helixtrans-65.1-45.4177-172.9-176.1-177.9-177.90111.5S271 D272 R277 I278 Q279 Y302S271-K275 PolarHBondContact O-N 2.94Å; S271-K275 VanDerWaalsContact O-N 3.08Å; D272-K275 WeakPolarHBondContact O-CB 3.27Å; D272-K275 PolarHBondContact O-N 2.92Å; D272-K275 VanDerWaalsContact O-N 3.08Å; K275-R277 VanDerWaalsContact C-N 3.32Å; K275-R277 PolarHBondContact O-N 3.46Å; K275-I278 PolarHBondContact O-N 3.23Å; K275-Q279 WeakPolarHBondContact O-CG 3.3Å; K275-Q279 PolarHBondContact O-N 2.9Å; K275-Y302 HydrophobicContact CB-CE2 4.1Å; K275-Y302 HydrophobicContact CD-CE1 4.37Å; K275-Y302 HydrophobicContact CD-CE2 4.39Å; K275-Y302 HydrophobicContact CG-CD2 4.45Å; K275-Y302 HydrophobicContact CG-CE1 4.39Å; K275-Y302 HydrophobicContact CG-CE2 3.88Å
276E89.7Confident88.1Confident71 Ų7157.2 Ų57.233%0.33228%0.284SS..Hα-helixtrans-58.4-44176.5-74.1173.1-166.100110.9R269 D272 Q279 K280R269-E276 IonicContact CZ-OE1 3.67Å; R269-E276 IonicContact NH1-OE1 2.64Å; R269-E276 PolarHBondContact NH1-OE1 3.27Å; R269-E276 IonicContact NH2-OE1 2.75Å; R269-E276 PolarHBondContact NH2-OE1 3.4Å; R269-E276 IonicContact NH2-OE2 3.69Å; R269-E276 PolarHBondContact NH2-OE2 2.89Å; D272-E276 WeakPolarHBondContact O-CG 3.23Å; D272-E276 PolarHBondContact O-N 3.43Å; E276-Q279 PolarHBondContact O-N 3.09Å; E276-K280 VanDerWaalsContact O-CG 3.31Å; E276-K280 WeakPolarHBondContact O-CG 3.29Å; E276-K280 PolarHBondContact O-N 3.45Å
277R88.7Confident88.4Confident59 Ų5957.8 Ų57.822%0.22329%0.287CS..Hα-helixtrans-61.6-45176-72.8177174.3174.40.6112.9I273 T274 K275 K280 I281 L334 E341I273-R277 WeakPolarHBondContact O-CG 3.4Å; I273-R277 PolarHBondContact O-N 3.07Å; T274-R277 PolarHBondContact O-N 2.97Å; K275-R277 VanDerWaalsContact C-N 3.32Å; K275-R277 PolarHBondContact O-N 3.46Å; R277-K280 PolarHBondContact O-N 3.13Å; R277-I281 WeakPolarHBondContact O-CG1 3.45Å; R277-I281 PolarHBondContact O-N 2.75Å; R277-I281 VanDerWaalsContact O-N 3.12Å; R277-L334 HydrophobicContact CB-CD1 3.65Å; R277-L334 HydrophobicContact CG-CD1 3.58Å; R277-E341 WeakPolarHBondContact CG-OE2 3.42Å; R277-E341 IonicContact CZ-OE1 3.87Å; R277-E341 IonicContact NE-OE1 3.48Å; R277-E341 PolarHBondContact NE-OE1 3.02Å; R277-E341 IonicContact NE-OE2 2.71Å; R277-E341 PolarHBondContact NE-OE2 3.44Å; R277-E341 VanDerWaalsContact NE-OE2 3.15Å; R277-E341 IonicContact NH2-OE1 2.78Å; R277-E341 PolarHBondContact NH2-OE1 2.96Å
278I89.8Confident88.9Confident1 Ų150.1 Ų50.11%0.00526%0.259CS..Hα-helixtrans-63.8-43178-69.7163.9000110.8L244 T274 K275 K280 I281 L282 C299 Y302 F303L244-I278 HydrophobicContact CD1-CG1 4.42Å; L244-I278 HydrophobicContact CD2-CG1 4.31Å; T274-I278 WeakPolarHBondContact O-CD1 3.45Å; T274-I278 VanDerWaalsContact O-CG1 3.27Å; T274-I278 WeakPolarHBondContact O-CG1 3.35Å; T274-I278 PolarHBondContact O-N 3.38Å; K275-I278 PolarHBondContact O-N 3.23Å; I278-K280 VanDerWaalsContact C-N 3.31Å; I278-K280 PolarHBondContact O-N 3.34Å; I278-I281 PolarHBondContact O-N 2.64Å; I278-L282 HydrophobicContact CG2-CD1 3.68Å; I278-L282 HydrophobicContact CG2-CG 4.29Å; I278-L282 WeakPolarHBondContact O-CB 3.24Å; I278-L282 WeakPolarHBondContact O-CG 3.48Å; I278-L282 PolarHBondContact O-N 3.2Å; I278-C299 HydrophobicContact CD1-CB 3.46Å; I278-C299 VanDerWaalsContact CD1-CB 3.46Å; I278-C299 VanDerWaalsContact CD1-SG 3.58Å; I278-Y302 HydrophobicContact CD1-CD2 4.11Å; I278-F303 HydrophobicContact CB-CZ 4.38Å; I278-F303 HydrophobicContact CD1-CZ 4.42Å; I278-F303 HydrophobicContact CG1-CE2 4.49Å; I278-F303 HydrophobicContact CG1-CZ 3.93Å; I278-F303 HydrophobicContact CG2-CD1 4.18Å; I278-F303 HydrophobicContact CG2-CE1 3.49Å; I278-F303 VanDerWaalsContact CG2-CE1 3.49Å; I278-F303 HydrophobicContact CG2-CZ 3.71Å
279Q90.8Very high89.3Confident110 Ų11044.4 Ų44.451%0.51423%0.232SC..Hα-helixtrans-61.4-39.4177-75.5179.6-15.100112K275 E276 L282 A283K275-Q279 WeakPolarHBondContact O-CG 3.3Å; K275-Q279 PolarHBondContact O-N 2.9Å; E276-Q279 PolarHBondContact O-N 3.09Å; Q279-L282 PolarHBondContact O-N 3.11Å; Q279-A283 WeakPolarHBondContact O-CB 3.31Å; Q279-A283 PolarHBondContact O-N 2.91Å
280K89.6Confident89.7Confident74 Ų7438.8 Ų38.832%0.32221%0.211SC..Hα-helixtrans-63.4-42.4174.8-70.2167.8179.2-173.10112.3E276 R277 I278 A283 S284 E341E276-K280 VanDerWaalsContact O-CG 3.31Å; E276-K280 WeakPolarHBondContact O-CG 3.29Å; E276-K280 PolarHBondContact O-N 3.45Å; R277-K280 PolarHBondContact O-N 3.13Å; I278-K280 VanDerWaalsContact C-N 3.31Å; I278-K280 PolarHBondContact O-N 3.34Å; K280-A283 PolarHBondContact O-N 3.41Å; K280-S284 PolarHBondContact O-N 2.95Å; K280-E341 VanDerWaalsContact CD-O 3.25Å; K280-E341 WeakPolarHBondContact CD-O 3.42Å; K280-E341 VanDerWaalsContact CE-O 3.27Å; K280-E341 WeakPolarHBondContact CE-O 3.43Å; K280-E341 PolarHBondContact NZ-O 2.81Å
281I90.6Very high90.1Very high0 Ų036.1 Ų36.10%020%0.198CC..Hα-helixtrans-63.3-45.6175.7-64.8159.5000110.3L240 F242 L244 R277 I278 S284 A286 I289 L334 F343L240-I281 HydrophobicContact CD1-CD1 3.77Å; F242-I281 HydrophobicContact CZ-CD1 4.45Å; L244-I281 HydrophobicContact CD2-CD1 4.39Å; R277-I281 WeakPolarHBondContact O-CG1 3.45Å; R277-I281 PolarHBondContact O-N 2.75Å; R277-I281 VanDerWaalsContact O-N 3.12Å; I278-I281 PolarHBondContact O-N 2.64Å; I281-S284 WeakPolarHBondContact O-CB 3.29Å; I281-S284 PolarHBondContact O-N 3.48Å; I281-S284 PolarHBondContact O-OG 3.47Å; I281-A286 HydrophobicContact CG2-CB 4.11Å; I281-I289 HydrophobicContact CG2-CD1 4.14Å; I281-I289 HydrophobicContact CG2-CG1 4.27Å; I281-L334 HydrophobicContact CD1-CD2 4.49Å; I281-L334 HydrophobicContact CG1-CD2 4.21Å; I281-F343 HydrophobicContact CG1-CB 4.43Å; I281-F343 HydrophobicContact CG1-CG 4.29Å
282L90.4Very high90.6Very high29 Ų2935.9 Ų35.915%0.15220%0.195CC..Hα-helixtrans-69.2-34.7179.6-70.1171.7000112.8I278 Q279 S284 G285 I289 F303 V306 A308I278-L282 HydrophobicContact CG2-CD1 3.68Å; I278-L282 HydrophobicContact CG2-CG 4.29Å; I278-L282 WeakPolarHBondContact O-CB 3.24Å; I278-L282 WeakPolarHBondContact O-CG 3.48Å; I278-L282 PolarHBondContact O-N 3.2Å; Q279-L282 PolarHBondContact O-N 3.11Å; L282-S284 PolarHBondContact O-N 2.96Å; L282-G285 WeakPolarHBondContact O-CA 3.41Å; L282-G285 PolarHBondContact O-N 3.24Å; L282-I289 HydrophobicContact CD2-CD1 4.3Å; L282-F303 HydrophobicContact CD1-CD1 4.05Å; L282-F303 HydrophobicContact CD1-CE1 4.14Å; L282-F303 HydrophobicContact CD2-CD1 3.97Å; L282-F303 HydrophobicContact CD2-CE1 4.13Å; L282-F303 HydrophobicContact CG-CD1 4.26Å; L282-F303 HydrophobicContact CG-CE1 4.1Å; L282-V306 HydrophobicContact CD1-CB 4.34Å; L282-V306 HydrophobicContact CD1-CG2 4.04Å; L282-V306 HydrophobicContact CD2-CG1 4.22Å; L282-A308 HydrophobicContact CD2-CB 3.83Å
283A90.2Very high90.8Very high89 Ų8933.6 Ų33.674%0.73619%0.185SC*.Hα-helixtrans-63.2-27.2176.200000112.7Q279 K280 G285Q279-A283 WeakPolarHBondContact O-CB 3.31Å; Q279-A283 PolarHBondContact O-N 2.91Å; K280-A283 PolarHBondContact O-N 3.41Å; A283-G285 PolarHBondContact O-N 3.24Å
284S87.9Confident91Very high11 Ų1131.9 Ų31.98%0.07718%0.179CC..THydrogen-bonded Turntrans-66.8-12.4170.879.30000113.5K280 I281 L282 F343 L348K280-S284 PolarHBondContact O-N 2.95Å; I281-S284 WeakPolarHBondContact O-CB 3.29Å; I281-S284 PolarHBondContact O-N 3.48Å; I281-S284 PolarHBondContact O-OG 3.47Å; L282-S284 PolarHBondContact O-N 2.96Å; S284-F343 WeakPolarHBondContact OG-CD1 3.49Å; S284-L348 WeakPolarHBondContact O-CD1 3.22Å
285G88.1Confident91.3Very high25 Ų2531.7 Ų31.726%0.25818%0.178SC..THydrogen-bonded Turntrans81.727.8-17600000113.4K236 L282 A283 N287K236-G285 WeakPolarHBondContact CD-O 3.47Å; L282-G285 WeakPolarHBondContact O-CA 3.41Å; L282-G285 PolarHBondContact O-N 3.24Å; A283-G285 PolarHBondContact O-N 3.24Å; G285-N287 PolarHBondContact O-N 3.37Å; G285-N287 PolarHBondContact O-OD1 3.44Å
286A91.1Very high91.4Very high3 Ų330.2 Ų30.23%0.02517%0.174CC..  trans-67.6125.3172.700000110.6A238 I281 I289 L348A238-A286 HydrophobicContact CB-CB 4.05Å; I281-A286 HydrophobicContact CG2-CB 4.11Å; A286-I289 HydrophobicContact CB-CG1 4.38Å; A286-L348 HydrophobicContact CB-CD2 3.76Å
287N92.5Very high91.3Very high62 Ų6232.5 Ų32.533%0.33219%0.188SC..SBendtrans-100.7-27.7177.7-68.7-3.7000112K236 G285 A308 M309K236-N287 PolarHBondContact O-N 3.06Å; G285-N287 PolarHBondContact O-N 3.37Å; G285-N287 PolarHBondContact O-OD1 3.44Å; N287-A308 WeakPolarHBondContact O-CA 3.37Å; N287-M309 PolarHBondContact O-N 3.05Å
288V94.4Very high91.3Very high1 Ų135.1 Ų35.11%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-125.8128.3179.4179.20000108.6L232 A235 K236 V237 A238 M309 I311 V354L232-V288 HydrophobicContact CD1-CG2 3.7Å; A235-V288 HydrophobicContact CB-CG2 3.81Å; K236-V288 PolarHBondContact O-N 3.21Å; V237-V288 CarbonylContact C-O 3.54Å; V237-V288 WeakPolarHBondContact CA-O 3.4Å; V237-V288 HydrophobicContact CG1-CG1 4.42Å; V237-V288 HydrophobicContact CG2-CB 4.21Å; A238-V288 PolarHBondContact N-O 2.93Å; V288-M309 CarbonylContact C-O 3.52Å; V288-M309 WeakPolarHBondContact CA-O 3.27Å; V288-M309 HydrophobicContact CG2-CB 4.37Å; V288-I311 HydrophobicContact CG1-CD1 4.3Å; V288-V354 HydrophobicContact CG1-CG1 4.38Å; V288-V354 HydrophobicContact CG2-CB 4.01Å; V288-V354 HydrophobicContact CG2-CG1 4.29Å; V288-V354 HydrophobicContact CG2-CG2 3.98Å
289I94.7Very high91.3Very high0 Ų035.1 Ų35.10%020%0.204CC..EExtended strand (participates in β ladder)trans-122.8117.2-176-60.6159.5000108.2A238 L240 I281 L282 A286 F303 M309 A310 I311A238-I289 HydrophobicContact CB-CG1 4.39Å; L240-I289 HydrophobicContact CD1-CG2 3.66Å; L240-I289 HydrophobicContact CG-CG2 4.36Å; I281-I289 HydrophobicContact CG2-CD1 4.14Å; I281-I289 HydrophobicContact CG2-CG1 4.27Å; L282-I289 HydrophobicContact CD2-CD1 4.3Å; A286-I289 HydrophobicContact CB-CG1 4.38Å; I289-F303 HydrophobicContact CD1-CD1 3.47Å; I289-F303 VanDerWaalsContact CD1-CD1 3.47Å; I289-F303 HydrophobicContact CD1-CE1 3.04Å; I289-F303 HydrophobicContact CD1-CE2 4.48Å; I289-F303 HydrophobicContact CD1-CG 4.35Å; I289-F303 HydrophobicContact CD1-CZ 3.63Å; I289-M309 PolarHBondContact N-O 3.1Å; I289-A310 HydrophobicContact CB-CB 4.45Å; I289-I311 PolarHBondContact O-N 3.03Å
290L95.1Very high91.3Very high1 Ų130.2 Ų30.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-107.4118.9177.4-64.7169.3000108.8L219 V237 A238 L240 I311 V314 L319 I322L219-L290 HydrophobicContact CD2-CD2 4.31Å; V237-L290 HydrophobicContact CG1-CD1 3.55Å; V237-L290 HydrophobicContact CG1-CG 4.13Å; A238-L290 PolarHBondContact O-N 3.38Å; L240-L290 PolarHBondContact N-O 3.35Å; L290-I311 HydrophobicContact CD2-CB 3.98Å; L290-I311 HydrophobicContact CD2-CD1 3.35Å; L290-I311 HydrophobicContact CD2-CG1 4.24Å; L290-I311 HydrophobicContact CD2-CG2 4.3Å; L290-I311 HydrophobicContact CG-CD1 4.47Å; L290-V314 HydrophobicContact CB-CG2 4.45Å; L290-V314 HydrophobicContact CD2-CG2 4.09Å; L290-L319 HydrophobicContact CB-CD1 3.48Å; L290-L319 VanDerWaalsContact CB-CD1 3.48Å; L290-L319 HydrophobicContact CD1-CD1 4.06Å; L290-L319 HydrophobicContact CG-CD1 4.4Å; L290-I322 HydrophobicContact CD1-CB 4.43Å; L290-I322 HydrophobicContact CD1-CD1 4.03Å; L290-I322 HydrophobicContact CD1-CG2 3.71Å
291T94.4Very high91.4Very high0 Ų032.5 Ų32.50%019%0.192CC..EExtended strand (participates in β ladder)trans-122.1129.7-176.3-55.60000110.8L240 F242 G293 I295 I311 R312 R313 V314L240-T291 HydrophobicContact CB-CG2 4.42Å; L240-T291 WeakPolarHBondContact O-CA 3.35Å; F242-T291 WeakPolarHBondContact O-CG2 3.36Å; T291-G293 VanDerWaalsContact C-N 3.32Å; T291-I295 HydrophobicContact CG2-CG1 4.47Å; T291-I311 PolarHBondContact N-O 3.08Å; T291-R312 CarbonylContact O-C 3.6Å; T291-R313 PolarHBondContact O-N 3.32Å; T291-V314 PolarHBondContact O-N 3.19Å
292T94.2Very high91.4Very high32 Ų3235.5 Ų35.520%0.19620%0.203CC..SBendtrans-70-32.8173.660.50000112.4L240 D241 R313 V314 K316 L319L240-T292 PolarHBondContact O-N 3.09Å; D241-T292 VanDerWaalsContact CA-OG1 3.31Å; D241-T292 WeakPolarHBondContact CA-OG1 2.88Å; D241-T292 HydrophobicContact CB-CG2 4.4Å; D241-T292 WeakPolarHBondContact OD1-CB 3Å; D241-T292 WeakPolarHBondContact OD1-CG2 3.18Å; D241-T292 PolarHBondContact OD1-OG1 3.43Å; T292-R313 WeakPolarHBondContact O-CA 3.25Å; T292-V314 WeakPolarHBondContact CA-O 3.3Å; T292-K316 HydrophobicContact CG2-CB 4.26Å; T292-L319 HydrophobicContact CG2-CB 4.41Å; T292-L319 HydrophobicContact CG2-CD2 3.41Å; T292-L319 VanDerWaalsContact CG2-CD2 3.41Å
293G91.1Very high91.5Very high11 Ų1134.1 Ų34.111%0.11320%0.196CC..SBendtrans-79-176.917600000114.6S243 T291 R313S243-G293 VanDerWaalsContact OG-CA 3.24Å; S243-G293 WeakPolarHBondContact OG-CA 3.45Å; T291-G293 VanDerWaalsContact C-N 3.32Å; G293-R313 PolarHBondContact O-N 3.35Å
294G91.4Very high91.6Very high11 Ų1132 Ų3211%0.11317%0.174CC..  trans-76157.6170.700000112.1S243 L244S243-G294 CarbonylContact C-O 3.52Å; S243-G294 WeakPolarHBondContact CA-O 3.45Å; S243-G294 WeakPolarHBondContact CB-O 3.47Å; S243-G294 PolarHBondContact OG-N 3.27Å; L244-G294 PolarHBondContact N-O 3.18Å
295I92.6Very high91.7Very high4 Ų436.8 Ų36.82%0.02120%0.198CC..BIsolated β-bridgetrans-124.3127168.5-52.8175.9000106.8L244 T291 C299 L300 F303 A310 R312L244-I295 HydrophobicContact CB-CG1 4.27Å; L244-I295 HydrophobicContact CB-CG2 4.13Å; L244-I295 HydrophobicContact CD1-CG1 4.48Å; L244-I295 WeakPolarHBondContact O-CA 3.49Å; T291-I295 HydrophobicContact CG2-CG1 4.47Å; I295-C299 HydrophobicContact CG2-CB 3.79Å; I295-L300 HydrophobicContact CB-CD2 4.05Å; I295-L300 HydrophobicContact CB-CG 4.43Å; I295-L300 HydrophobicContact CD1-CD2 4.43Å; I295-L300 HydrophobicContact CG2-CD2 3.61Å; I295-L300 HydrophobicContact CG2-CG 3.84Å; I295-F303 HydrophobicContact CG2-CE2 4.27Å; I295-A310 HydrophobicContact CD1-CB 3.96Å; I295-R312 HydrophobicContact CB-CB 4.2Å; I295-R312 HydrophobicContact CD1-CB 3.98Å; I295-R312 HydrophobicContact CG1-CB 3.79Å
296D91.5Very high91.8Very high41 Ų4140.3 Ų40.322%0.21922%0.215CC..  trans-75.3151.6177.1-77.2-4.8000111.5L244 Q245 K246 M298 C299 L300L244-D296 PolarHBondContact O-N 2.85Å; Q245-D296 VanDerWaalsContact CA-OD2 3.26Å; Q245-D296 WeakPolarHBondContact CA-OD2 3.38Å; Q245-D296 WeakPolarHBondContact CB-OD2 3.16Å; Q245-D296 WeakPolarHBondContact CG-OD1 3.32Å; Q245-D296 PolarHBondContact NE2-OD1 2.89Å; K246-D296 PolarHBondContact N-OD2 3.39Å; D296-M298 VanDerWaalsContact C-N 3.29Å; D296-M298 PolarHBondContact O-N 2.88Å; D296-C299 WeakPolarHBondContact O-CA 3.48Å; D296-C299 VanDerWaalsContact O-CB 3.26Å; D296-C299 WeakPolarHBondContact O-CB 3.49Å; D296-C299 PolarHBondContact O-N 2.92Å; D296-L300 PolarHBondContact O-N 3.09Å
297D89.1Confident91.7Very high118 Ų11841.5 Ų41.563%0.63123%0.227SC*.Hα-helixtrans-62.4-33.5-174.4-60-21.2000113.5C299 L300 K301 R312D297-C299 VanDerWaalsContact C-N 3.27Å; D297-C299 PolarHBondContact O-N 3.3Å; D297-L300 WeakPolarHBondContact O-CB 3.31Å; D297-L300 PolarHBondContact O-N 3.46Å; D297-K301 PolarHBondContact O-N 2.95Å; D297-K301 VanDerWaalsContact O-N 3.12Å; D297-R312 IonicContact OD1-NH1 3.33Å
298M87.3Confident91.6Very high114 Ų11438.7 Ų38.756%0.56221%0.213SC*.Hα-helixtrans-62.8-35.9172.8-69.8-63.3-69.300112D296 Y302D296-M298 VanDerWaalsContact C-N 3.29Å; D296-M298 PolarHBondContact O-N 2.88Å; M298-Y302 WeakPolarHBondContact O-CD2 3.34Å
299C89.7Confident91.6Very high2 Ų238.6 Ų38.61%0.01421%0.212CC..Hα-helixtrans-72.3-38.1176.7-620000111I278 I295 D296 D297 K301 Y302 F303I278-C299 HydrophobicContact CD1-CB 3.46Å; I278-C299 VanDerWaalsContact CD1-CB 3.46Å; I278-C299 VanDerWaalsContact CD1-SG 3.58Å; I295-C299 HydrophobicContact CG2-CB 3.79Å; D296-C299 WeakPolarHBondContact O-CA 3.48Å; D296-C299 VanDerWaalsContact O-CB 3.26Å; D296-C299 WeakPolarHBondContact O-CB 3.49Å; D296-C299 PolarHBondContact O-N 2.92Å; D297-C299 VanDerWaalsContact C-N 3.27Å; D297-C299 PolarHBondContact O-N 3.3Å; C299-K301 VanDerWaalsContact C-N 3.26Å; C299-K301 PolarHBondContact O-N 3.32Å; C299-Y302 PolarHBondContact O-N 3.05Å; C299-F303 VanDerWaalsContact O-CD2 3.31Å; C299-F303 WeakPolarHBondContact O-CD2 3.32Å; C299-F303 PolarHBondContact O-N 2.71Å
300L91.4Very high91.6Very high6 Ų638.6 Ų38.63%0.03121%0.212CC..Hα-helixtrans-59.7-36.4175.5-66.8174.8000112.2G224 M228 I295 D296 D297 Y302 F303 V304 A310G224-L300 VanDerWaalsContact O-CD1 3.26Å; G224-L300 WeakPolarHBondContact O-CD1 3.09Å; M228-L300 HydrophobicContact CE-CB 4Å; M228-L300 HydrophobicContact CE-CD2 3.53Å; M228-L300 HydrophobicContact CE-CG 4.36Å; I295-L300 HydrophobicContact CB-CD2 4.05Å; I295-L300 HydrophobicContact CB-CG 4.43Å; I295-L300 HydrophobicContact CD1-CD2 4.43Å; I295-L300 HydrophobicContact CG2-CD2 3.61Å; I295-L300 HydrophobicContact CG2-CG 3.84Å; D296-L300 PolarHBondContact O-N 3.09Å; D297-L300 WeakPolarHBondContact O-CB 3.31Å; D297-L300 PolarHBondContact O-N 3.46Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-Y302 PolarHBondContact O-N 2.65Å; L300-F303 PolarHBondContact O-N 2.93Å; L300-V304 WeakPolarHBondContact O-CG2 3.33Å; L300-V304 PolarHBondContact O-N 2.79Å; L300-A310 HydrophobicContact CD2-CB 4.28Å
301K91.2Very high91.5Very high123 Ų12338.6 Ų38.654%0.53521%0.212SC..Hα-helixtrans-58.3-44.6176-173177.9177.6178.90112.3D297 C299 F303 V304 D305D297-K301 PolarHBondContact O-N 2.95Å; D297-K301 VanDerWaalsContact O-N 3.12Å; C299-K301 VanDerWaalsContact C-N 3.26Å; C299-K301 PolarHBondContact O-N 3.32Å; K301-F303 PolarHBondContact O-N 3.48Å; K301-V304 PolarHBondContact O-N 2.95Å; K301-V304 VanDerWaalsContact O-N 3.12Å; K301-D305 PolarHBondContact O-N 3.02Å
302Y90.7Very high91.5Very high63 Ų6343.1 Ų43.125%0.24723%0.229CC..Hα-helixtrans-62-33.4178-60.3-49.2000112.9K275 I278 M298 C299 L300 V306K275-Y302 HydrophobicContact CB-CE2 4.1Å; K275-Y302 HydrophobicContact CD-CE1 4.37Å; K275-Y302 HydrophobicContact CD-CE2 4.39Å; K275-Y302 HydrophobicContact CG-CD2 4.45Å; K275-Y302 HydrophobicContact CG-CE1 4.39Å; K275-Y302 HydrophobicContact CG-CE2 3.88Å; I278-Y302 HydrophobicContact CD1-CD2 4.11Å; M298-Y302 WeakPolarHBondContact O-CD2 3.34Å; C299-Y302 PolarHBondContact O-N 3.05Å; L300-Y302 VanDerWaalsContact C-N 3.34Å; L300-Y302 PolarHBondContact O-N 2.65Å; Y302-V306 PolarHBondContact O-N 2.89Å
303F92.4Very high91.4Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-71.5-38.5174.2-65-51000112.5M228 L244 I278 L282 I289 I295 C299 L300 K301 V306 G307 A308 A310M228-F303 HydrophobicContact CE-CB 3.76Å; L244-F303 HydrophobicContact CD1-CE2 3.86Å; L244-F303 HydrophobicContact CD1-CZ 3.73Å; I278-F303 HydrophobicContact CB-CZ 4.38Å; I278-F303 HydrophobicContact CD1-CZ 4.42Å; I278-F303 HydrophobicContact CG1-CE2 4.49Å; I278-F303 HydrophobicContact CG1-CZ 3.93Å; I278-F303 HydrophobicContact CG2-CD1 4.18Å; I278-F303 HydrophobicContact CG2-CE1 3.49Å; I278-F303 VanDerWaalsContact CG2-CE1 3.49Å; I278-F303 HydrophobicContact CG2-CZ 3.71Å; L282-F303 HydrophobicContact CD1-CD1 4.05Å; L282-F303 HydrophobicContact CD1-CE1 4.14Å; L282-F303 HydrophobicContact CD2-CD1 3.97Å; L282-F303 HydrophobicContact CD2-CE1 4.13Å; L282-F303 HydrophobicContact CG-CD1 4.26Å; L282-F303 HydrophobicContact CG-CE1 4.1Å; I289-F303 HydrophobicContact CD1-CD1 3.47Å; I289-F303 VanDerWaalsContact CD1-CD1 3.47Å; I289-F303 HydrophobicContact CD1-CE1 3.04Å; I289-F303 HydrophobicContact CD1-CE2 4.48Å; I289-F303 HydrophobicContact CD1-CG 4.35Å; I289-F303 HydrophobicContact CD1-CZ 3.63Å; I295-F303 HydrophobicContact CG2-CE2 4.27Å; C299-F303 VanDerWaalsContact O-CD2 3.31Å; C299-F303 WeakPolarHBondContact O-CD2 3.32Å; C299-F303 PolarHBondContact O-N 2.71Å; L300-F303 PolarHBondContact O-N 2.93Å; K301-F303 PolarHBondContact O-N 3.48Å; F303-V306 PolarHBondContact O-N 2.78Å; F303-G307 PolarHBondContact O-N 2.83Å; F303-A308 HydrophobicContact CB-CB 4.43Å; F303-A308 HydrophobicContact CD1-CB 4.29Å; F303-A308 PolarHBondContact O-N 3.24Å; F303-A310 HydrophobicContact CB-CB 4.27Å; F303-A310 HydrophobicContact CD2-CB 3.56Å; F303-A310 HydrophobicContact CE2-CB 4.05Å; F303-A310 HydrophobicContact CG-CB 3.95Å
304V92.8Very high91.5Very high44 Ų4450.2 Ų50.227%0.26725%0.249SC..Hα-helixtrans-63.1-45.7175.6172.70000111.2M228 L300 K301 V306 G307M228-V304 HydrophobicContact CE-CG2 3.97Å; M228-V304 HydrophobicContact CG-CG2 3.61Å; L300-V304 WeakPolarHBondContact O-CG2 3.33Å; L300-V304 PolarHBondContact O-N 2.79Å; K301-V304 PolarHBondContact O-N 2.95Å; K301-V304 VanDerWaalsContact O-N 3.12Å; V304-V306 PolarHBondContact O-N 3.06Å; V304-G307 PolarHBondContact O-N 2.9Å
305D90.4Very high91.6Very high111 Ų11154 Ų5459%0.59427%0.267SS*.Hα-helixtrans-61.3-32.9-177.9-67.4-19.2000112.4K301K301-D305 PolarHBondContact O-N 3.02Å
306V89.9Confident91.5Very high99 Ų9958.9 Ų58.960%0.629%0.288SS*.Hα-helixtrans-89.2-11.6177.8179.90000112.4L282 Y302 F303 V304L282-V306 HydrophobicContact CD1-CB 4.34Å; L282-V306 HydrophobicContact CD1-CG2 4.04Å; L282-V306 HydrophobicContact CD2-CG1 4.22Å; Y302-V306 PolarHBondContact O-N 2.89Å; F303-V306 PolarHBondContact O-N 2.78Å; V304-V306 PolarHBondContact O-N 3.06Å
307G89.4Confident91.5Very high28 Ų2864.4 Ų64.429%0.28931%0.306SS..THydrogen-bonded Turntrans76.824.6-176.600000114.3F303 V304F303-G307 PolarHBondContact O-N 2.83Å; V304-G307 PolarHBondContact O-N 2.9Å
308A90.8Very high91.6Very high3 Ų359.2 Ų59.23%0.02528%0.278CS..  trans-88.4142.6175.800000111.7L282 N287 F303L282-A308 HydrophobicContact CD2-CB 3.83Å; N287-A308 WeakPolarHBondContact O-CA 3.37Å; F303-A308 HydrophobicContact CB-CB 4.43Å; F303-A308 HydrophobicContact CD1-CB 4.29Å; F303-A308 PolarHBondContact O-N 3.24Å
309M93.8Very high91.9Very high0 Ų053.9 Ų53.90%025%0.252CS..EExtended strand (participates in β ladder)trans-87.4119.9174.1179.8-174.6-76.500109.4V223 V229 L232 N287 V288 I289 I311 V354V223-M309 HydrophobicContact CG1-CE 4.18Å; V223-M309 HydrophobicContact CG1-CG 3.96Å; V223-M309 HydrophobicContact CG1-SD 4.24Å; V229-M309 WeakPolarHBondContact O-CE 3.39Å; L232-M309 HydrophobicContact CD1-CB 3.54Å; L232-M309 HydrophobicContact CD1-CE 4.48Å; N287-M309 PolarHBondContact O-N 3.05Å; V288-M309 CarbonylContact C-O 3.52Å; V288-M309 WeakPolarHBondContact CA-O 3.27Å; V288-M309 HydrophobicContact CG2-CB 4.37Å; I289-M309 PolarHBondContact N-O 3.1Å; M309-I311 HydrophobicContact CG-CD1 4.41Å; M309-I311 HydrophobicContact CG-CG1 4.31Å; M309-I311 HydrophobicContact SD-CD1 4.15Å; M309-V354 HydrophobicContact CE-CG1 4.46Å; M309-V354 HydrophobicContact SD-CG1 3.76Å
310A94Very high91.9Very high0 Ų058.9 Ų58.90%027%0.273CS..EExtended strand (participates in β ladder)trans-114.9136174.800000111.4G224 M228 I289 I295 L300 F303G224-A310 PolarHBondContact N-O 2.8Å; M228-A310 HydrophobicContact CE-CB 3.9Å; M228-A310 HydrophobicContact SD-CB 4.12Å; M228-A310 PolarHBondContact SD-N 3.43Å; M228-A310 VanDerWaalsContact SD-N 3.43Å; I289-A310 HydrophobicContact CB-CB 4.45Å; I295-A310 HydrophobicContact CD1-CB 3.96Å; L300-A310 HydrophobicContact CD2-CB 4.28Å; F303-A310 HydrophobicContact CB-CB 4.27Å; F303-A310 HydrophobicContact CD2-CB 3.56Å; F303-A310 HydrophobicContact CE2-CB 4.05Å; F303-A310 HydrophobicContact CG-CB 3.95Å
311I94.2Very high91.8Very high0 Ų061.2 Ų61.20%028%0.282CS..EExtended strand (participates in β ladder)trans-128126-176.3-55.4157.6000107.3L219 C221 V288 I289 L290 T291 M309 V314 I365L219-I311 HydrophobicContact CD2-CG2 3.92Å; C221-I311 HydrophobicContact CB-CG2 3.74Å; V288-I311 HydrophobicContact CG1-CD1 4.3Å; I289-I311 PolarHBondContact O-N 3.03Å; L290-I311 HydrophobicContact CD2-CB 3.98Å; L290-I311 HydrophobicContact CD2-CD1 3.35Å; L290-I311 HydrophobicContact CD2-CG1 4.24Å; L290-I311 HydrophobicContact CD2-CG2 4.3Å; L290-I311 HydrophobicContact CG-CD1 4.47Å; T291-I311 PolarHBondContact N-O 3.08Å; M309-I311 HydrophobicContact CG-CD1 4.41Å; M309-I311 HydrophobicContact CG-CG1 4.31Å; M309-I311 HydrophobicContact SD-CD1 4.15Å; I311-V314 HydrophobicContact CB-CG2 4.36Å; I311-V314 HydrophobicContact CG2-CG2 3.66Å; I311-I365 HydrophobicContact CB-CD1 4.4Å; I311-I365 HydrophobicContact CD1-CD1 3.32Å; I311-I365 HydrophobicContact CD1-CG1 4.44Å; I311-I365 HydrophobicContact CD1-CG2 3.96Å; I311-I365 HydrophobicContact CG1-CD1 3.45Å; I311-I365 VanDerWaalsContact CG1-CD1 3.45Å; I311-I365 HydrophobicContact CG2-CD1 4.04Å
312R93.4Very high91.8Very high96 Ų9655.4 Ų55.436%0.36226%0.256SS..  trans-106.7157.6-175.464.4-175.9179.3-174.4-2.4111.2T291 I295 D297 V314T291-R312 CarbonylContact O-C 3.6Å; I295-R312 HydrophobicContact CB-CB 4.2Å; I295-R312 HydrophobicContact CD1-CB 3.98Å; I295-R312 HydrophobicContact CG1-CB 3.79Å; D297-R312 IonicContact OD1-NH1 3.33Å; R312-V314 VanDerWaalsContact C-N 3.29Å; R312-V314 PolarHBondContact O-N 3.28Å
313R92.1Very high91.8Very high187 Ų18752.6 Ų52.671%0.70625%0.246SC*.SBendtrans56.738.2174.8-59-176.4178173.50.1114.2T291 T292 G293T291-R313 PolarHBondContact O-N 3.32Å; T292-R313 WeakPolarHBondContact O-CA 3.25Å; G293-R313 PolarHBondContact O-N 3.35Å
314V93.6Very high91.7Very high4 Ų459.2 Ų59.22%0.02428%0.275CS..  trans-68.9133.5174.5177.90000109.9L219 L290 T291 T292 I311 R312 K316 L319L219-V314 HydrophobicContact CD1-CG1 3.79Å; L219-V314 HydrophobicContact CD2-CG2 4.14Å; L290-V314 HydrophobicContact CB-CG2 4.45Å; L290-V314 HydrophobicContact CD2-CG2 4.09Å; T291-V314 PolarHBondContact O-N 3.19Å; T292-V314 WeakPolarHBondContact CA-O 3.3Å; I311-V314 HydrophobicContact CB-CG2 4.36Å; I311-V314 HydrophobicContact CG2-CG2 3.66Å; R312-V314 VanDerWaalsContact C-N 3.29Å; R312-V314 PolarHBondContact O-N 3.28Å; V314-K316 PolarHBondContact O-N 3.47Å; V314-L319 HydrophobicContact CG1-CB 4.15Å; V314-L319 HydrophobicContact CG1-CD1 4.4Å
315L92.9Very high91.4Very high92 Ų9257.1 Ų57.148%0.48226%0.262SS..  trans-60.2129.9174.9-66175.9000110.3R317 D318 L319L315-R317 HydrophobicContact CB-CG 4.17Å; L315-R317 PolarHBondContact O-N 3.41Å; L315-R317 VanDerWaalsContact O-N 3.1Å; L315-D318 HydrophobicContact CB-CB 4.42Å; L315-D318 WeakPolarHBondContact CB-OD2 3.36Å; L315-D318 WeakPolarHBondContact O-CB 3.42Å; L315-D318 PolarHBondContact O-N 2.95Å; L315-L319 PolarHBondContact O-N 3.3Å
316K91.8Very high91.4Very high105 Ų10552 Ų5246%0.45724%0.235SC..Hα-helixtrans-57.8-30.3-178-174.9163178.4158.40113.4D241 T292 V314 K320D241-K316 IonicContact OD1-NZ 2.75Å; D241-K316 WeakPolarHBondContact OD2-CE 3.19Å; D241-K316 IonicContact OD2-NZ 3.9Å; D241-K316 PolarHBondContact OD2-NZ 2.9Å; T292-K316 HydrophobicContact CG2-CB 4.26Å; V314-K316 PolarHBondContact O-N 3.47Å; K316-K320 WeakPolarHBondContact O-CG 3.41Å; K316-K320 PolarHBondContact O-N 2.83Å; K316-K320 VanDerWaalsContact O-N 3.15Å
317R91.1Very high91.3Very high157 Ų15749.1 Ų49.159%0.59223%0.225SC*.Hα-helixtrans-64.5-39.8174.670.7-176.7-177-178.5-1.2112.1L315 R321L315-R317 HydrophobicContact CB-CG 4.17Å; L315-R317 PolarHBondContact O-N 3.41Å; L315-R317 VanDerWaalsContact O-N 3.1Å; R317-R321 WeakPolarHBondContact O-CG 3.39Å; R317-R321 PolarHBondContact O-N 3.48Å
318D91.5Very high91.5Very high10 Ų1048.3 Ų48.35%0.05322%0.216CC..Hα-helixtrans-76.7-41.7-178.7-63.1-30.3000110.1Y217 L219 L315 K320 R321 I322Y217-D318 HydrophobicContact CE1-CB 3.85Å; Y217-D318 PolarHBondContact OH-OD1 2.86Å; L219-D318 HydrophobicContact CD1-CB 3.98Å; L315-D318 HydrophobicContact CB-CB 4.42Å; L315-D318 WeakPolarHBondContact CB-OD2 3.36Å; L315-D318 WeakPolarHBondContact O-CB 3.42Å; L315-D318 PolarHBondContact O-N 2.95Å; D318-K320 VanDerWaalsContact C-N 3.26Å; D318-K320 PolarHBondContact O-N 3.22Å; D318-R321 PolarHBondContact O-N 3.28Å; D318-R321 IonicContact OD1-NH1 2.65Å; D318-R321 PolarHBondContact OD1-NH1 3.4Å; D318-I322 WeakPolarHBondContact O-CG1 3.45Å; D318-I322 PolarHBondContact O-N 3.48Å
319L92.3Very high91.5Very high1 Ų151.9 Ų51.91%0.00524%0.237CC..Hα-helixtrans-56.5-41.6174.5-167.668.4000111.8C239 L240 L290 T292 V314 L315 R321 I322 A323 I330C239-L319 HydrophobicContact CB-CD1 3.71Å; C239-L319 HydrophobicContact CB-CD2 4.36Å; C239-L319 HydrophobicContact CB-CG 4.02Å; L240-L319 WeakPolarHBondContact O-CD2 3.45Å; L290-L319 HydrophobicContact CB-CD1 3.48Å; L290-L319 VanDerWaalsContact CB-CD1 3.48Å; L290-L319 HydrophobicContact CD1-CD1 4.06Å; L290-L319 HydrophobicContact CG-CD1 4.4Å; T292-L319 HydrophobicContact CG2-CB 4.41Å; T292-L319 HydrophobicContact CG2-CD2 3.41Å; T292-L319 VanDerWaalsContact CG2-CD2 3.41Å; V314-L319 HydrophobicContact CG1-CB 4.15Å; V314-L319 HydrophobicContact CG1-CD1 4.4Å; L315-L319 PolarHBondContact O-N 3.3Å; L319-R321 VanDerWaalsContact C-N 3.32Å; L319-R321 PolarHBondContact O-N 3.42Å; L319-I322 PolarHBondContact O-N 2.68Å; L319-A323 VanDerWaalsContact O-CB 3.23Å; L319-A323 WeakPolarHBondContact O-CB 3.27Å; L319-A323 PolarHBondContact O-N 2.62Å; L319-I330 HydrophobicContact CD2-CG2 4.22Å
320K90.8Very high91.5Very high107 Ų10754.2 Ų54.247%0.46525%0.249SC..Hα-helixtrans-62.1-36.6175.3-77.6175178-174.80113.4K316 D318 K324 I330K316-K320 WeakPolarHBondContact O-CG 3.41Å; K316-K320 PolarHBondContact O-N 2.83Å; K316-K320 VanDerWaalsContact O-N 3.15Å; D318-K320 VanDerWaalsContact C-N 3.26Å; D318-K320 PolarHBondContact O-N 3.22Å; K320-K324 WeakPolarHBondContact O-CG 3.28Å; K320-K324 PolarHBondContact O-N 3Å; K320-I330 HydrophobicContact CB-CD1 4.12Å; K320-I330 HydrophobicContact CG-CD1 3.43Å; K320-I330 VanDerWaalsContact CG-CD1 3.43Å
321R88.9Confident91.3Very high56 Ų5654.4 Ų54.421%0.21125%0.25CS..Hα-helixtrans-74.5-46.2178.9-68.8170.7-173.6160.70.5110.6N196 Y217 R317 D318 L319 A323 K324 A325N196-R321 PolarHBondContact O-NE 2.8Å; N196-R321 PolarHBondContact O-NH2 3.29Å; Y217-R321 HydrophobicContact CD2-CB 4.33Å; Y217-R321 HydrophobicContact CE2-CB 3.72Å; Y217-R321 HydrophobicContact CE2-CG 4.39Å; Y217-R321 VanDerWaalsContact OH-CD 3.24Å; Y217-R321 WeakPolarHBondContact OH-CD 3.31Å; Y217-R321 PolarHBondContact OH-NH1 3.31Å; R317-R321 WeakPolarHBondContact O-CG 3.39Å; R317-R321 PolarHBondContact O-N 3.48Å; D318-R321 PolarHBondContact O-N 3.28Å; D318-R321 IonicContact OD1-NH1 2.65Å; D318-R321 PolarHBondContact OD1-NH1 3.4Å; L319-R321 VanDerWaalsContact C-N 3.32Å; L319-R321 PolarHBondContact O-N 3.42Å; R321-A323 VanDerWaalsContact C-N 3.34Å; R321-A323 PolarHBondContact O-N 3.38Å; R321-K324 PolarHBondContact O-N 3.01Å; R321-A325 WeakPolarHBondContact O-CB 3.3Å; R321-A325 PolarHBondContact O-N 3.18Å
322I91.1Very high91Very high1 Ų158.8 Ų58.81%0.00528%0.279CS..Hα-helixtrans-59.3-46.4176.8-64.2166.6000110.4Y217 L219 L290 D318 L319 K324 A325 T326Y217-I322 HydrophobicContact CD1-CD1 3.64Å; Y217-I322 HydrophobicContact CD1-CG1 3.38Å; Y217-I322 HydrophobicContact CD2-CG1 4.45Å; Y217-I322 HydrophobicContact CE1-CD1 4.08Å; Y217-I322 HydrophobicContact CE1-CG1 3.96Å; Y217-I322 HydrophobicContact CG-CD1 4.39Å; Y217-I322 HydrophobicContact CG-CG1 3.67Å; L219-I322 HydrophobicContact CD1-CD1 3.93Å; L290-I322 HydrophobicContact CD1-CB 4.43Å; L290-I322 HydrophobicContact CD1-CD1 4.03Å; L290-I322 HydrophobicContact CD1-CG2 3.71Å; D318-I322 WeakPolarHBondContact O-CG1 3.45Å; D318-I322 PolarHBondContact O-N 3.48Å; L319-I322 PolarHBondContact O-N 2.68Å; I322-K324 VanDerWaalsContact C-N 3.31Å; I322-K324 PolarHBondContact O-N 3.15Å; I322-A325 WeakPolarHBondContact O-CB 3.19Å; I322-A325 PolarHBondContact O-N 3.49Å; I322-T326 HydrophobicContact CG2-CG2 3.97Å; I322-T326 WeakPolarHBondContact O-CG2 3.37Å; I322-T326 PolarHBondContact O-N 2.9Å; I322-T326 PolarHBondContact O-OG1 3.47Å
323A91.5Very high90.7Very high4 Ų457.1 Ų57.13%0.03328%0.282CS..Hα-helixtrans-57.2-44.4178.100000112C239 L319 R321 A325 T326 G327 A328 I330C239-A323 HydrophobicContact CB-CB 4.36Å; L319-A323 VanDerWaalsContact O-CB 3.23Å; L319-A323 WeakPolarHBondContact O-CB 3.27Å; L319-A323 PolarHBondContact O-N 2.62Å; R321-A323 VanDerWaalsContact C-N 3.34Å; R321-A323 PolarHBondContact O-N 3.38Å; A323-A325 VanDerWaalsContact C-N 3.34Å; A323-A325 PolarHBondContact O-N 2.68Å; A323-T326 PolarHBondContact O-OG1 3.1Å; A323-G327 CarbonylContact O-C 3.4Å; A323-G327 WeakPolarHBondContact O-CA 3.42Å; A323-G327 PolarHBondContact O-N 2.93Å; A323-A328 CarbonylContact C-O 3.58Å; A323-A328 HydrophobicContact CB-CB 4.25Å; A323-A328 WeakPolarHBondContact CB-O 3.48Å; A323-A328 PolarHBondContact O-N 3.18Å; A323-I330 HydrophobicContact CB-CD1 4.26Å; A323-I330 HydrophobicContact CB-CG1 3.65Å
324K88.6Confident90.2Very high139 Ų13948.5 Ų48.560%0.60425%0.25SS*.Hα-helixtrans-66.5-33.5174.8-71.7177-179.5-176.30113.5K320 R321 I322K320-K324 WeakPolarHBondContact O-CG 3.28Å; K320-K324 PolarHBondContact O-N 3Å; R321-K324 PolarHBondContact O-N 3.01Å; I322-K324 VanDerWaalsContact C-N 3.31Å; I322-K324 PolarHBondContact O-N 3.15Å
325A87.8Confident89.6Confident0 Ų051.7 Ų51.70%027%0.272CS..Hα-helixtrans-70.6-49179.500000111.3R321 I322 A323 T370 A372 R373 C375R321-A325 WeakPolarHBondContact O-CB 3.3Å; R321-A325 PolarHBondContact O-N 3.18Å; I322-A325 WeakPolarHBondContact O-CB 3.19Å; I322-A325 PolarHBondContact O-N 3.49Å; A323-A325 VanDerWaalsContact C-N 3.34Å; A323-A325 PolarHBondContact O-N 2.68Å; A325-T370 HydrophobicContact CB-CG2 3.92Å; A325-T370 WeakPolarHBondContact O-CB 3.5Å; A325-A372 WeakPolarHBondContact O-CB 3.42Å; A325-A372 PolarHBondContact O-N 2.9Å; A325-R373 PolarHBondContact O-N 3.49Å; A325-C375 HydrophobicContact CB-CB 4.1Å; A325-C375 WeakPolarHBondContact CB-SG 3.12Å
326T89.7Confident88.9Confident3 Ų349.1 Ų49.12%0.01826%0.259CS..Hα-helixtrans-81-17.8-177.360.70000113V237 I322 A323 A328 G349 H350 C351 V367 T370V237-T326 HydrophobicContact CG2-CG2 4.33Å; I322-T326 HydrophobicContact CG2-CG2 3.97Å; I322-T326 WeakPolarHBondContact O-CG2 3.37Å; I322-T326 PolarHBondContact O-N 2.9Å; I322-T326 PolarHBondContact O-OG1 3.47Å; A323-T326 PolarHBondContact O-OG1 3.1Å; T326-A328 PolarHBondContact OG1-N 3.37Å; T326-G349 WeakPolarHBondContact O-CA 3.39Å; T326-H350 PolarHBondContact O-N 3.49Å; T326-C351 HydrophobicContact CG2-CB 4.45Å; T326-V367 HydrophobicContact CG2-CG1 4.23Å; T326-T370 HydrophobicContact CG2-CG2 3.81Å
327G89.2Confident88Confident39 Ų3953 Ų5340%0.40228%0.284SS..THydrogen-bonded Turntrans848.9-172.200000113.8A323A323-G327 CarbonylContact O-C 3.4Å; A323-G327 WeakPolarHBondContact O-CA 3.42Å; A323-G327 PolarHBondContact O-N 2.93Å
328A92.2Very high87.2Confident10 Ų1053.3 Ų53.38%0.08329%0.292CS..PPolyproline II helixtrans-67.3152.2175.700000111.7C239 A323 T326 M347 G349C239-A328 HydrophobicContact CB-CB 4.37Å; A323-A328 CarbonylContact C-O 3.58Å; A323-A328 HydrophobicContact CB-CB 4.25Å; A323-A328 WeakPolarHBondContact CB-O 3.48Å; A323-A328 PolarHBondContact O-N 3.18Å; T326-A328 PolarHBondContact OG1-N 3.37Å; A328-M347 WeakPolarHBondContact CA-O 3.21Å; A328-G349 VanDerWaalsContact CB-N 3.35Å
329T91.6Very high86.2Confident78 Ų7856 Ų5648%0.47932%0.322SS..PPolyproline II helixtrans-99131.7167.4-57.30000108.6C331 M347T329-C331 PolarHBondContact O-N 3.48Å; T329-M347 PolarHBondContact N-O 3.41Å
330I92.5Very high85.6Confident50 Ų5061.6 Ų61.626%0.25635%0.348SS..EExtended strand (participates in β ladder)trans-71.8122.7177-54.9172.3000108C239 D241 L319 K320 A323 P332C239-I330 HydrophobicContact CB-CG1 4.48Å; D241-I330 HydrophobicContact CB-CG2 3.85Å; L319-I330 HydrophobicContact CD2-CG2 4.22Å; K320-I330 HydrophobicContact CB-CD1 4.12Å; K320-I330 HydrophobicContact CG-CD1 3.43Å; K320-I330 VanDerWaalsContact CG-CD1 3.43Å; A323-I330 HydrophobicContact CB-CD1 4.26Å; A323-I330 HydrophobicContact CB-CG1 3.65Å; I330-P332 WeakPolarHBondContact O-CD 3.37Å
331C90.1Very high85Confident3 Ų359.3 Ų59.32%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-96.4105.3-179.4-174.90000110C239 L240 D241 T329 S333 F343 M347C239-C331 PolarHBondContact O-N 3Å; L240-C331 HydrophobicContact CD2-CB 4Å; D241-C331 PolarHBondContact N-O 2.75Å; T329-C331 PolarHBondContact O-N 3.48Å; C331-S333 PolarHBondContact SG-O 2.75Å; C331-F343 HydrophobicContact CB-CE2 3.94Å; C331-M347 HydrophobicContact CB-SD 4.28Å
332P89.1Confident84.7Confident93 Ų9359.1 Ų59.160%0.60434%0.344SS*.SBendtrans-77.1-27.3176.531.6-35000112.9I330I330-P332 WeakPolarHBondContact O-CD 3.37Å
333S85.6Confident84.3Confident60 Ų6059.9 Ų59.942%0.4235%0.347SS..  trans-153.4148.3179.8174.90000108.8C331 S335C331-S333 PolarHBondContact SG-O 2.75Å; S333-S335 PolarHBondContact O-N 2.92Å; S333-S335 PolarHBondContact OG-N 2.68Å; S333-S335 PolarHBondContact OG-OG 2.87Å
334L82.1Confident84Confident7 Ų764.5 Ų64.54%0.03737%0.369CS..SBendtrans-76.60.5177.2-68.5171.2000113.7F242 R277 I281 E341 T342 F343F242-L334 HydrophobicContact CE1-CD2 4.39Å; F242-L334 HydrophobicContact CE1-CG 4.13Å; F242-L334 HydrophobicContact CE2-CD1 4.21Å; F242-L334 HydrophobicContact CE2-CG 4.37Å; F242-L334 HydrophobicContact CZ-CD1 3.87Å; F242-L334 HydrophobicContact CZ-CD2 3.98Å; F242-L334 HydrophobicContact CZ-CG 3.64Å; R277-L334 HydrophobicContact CB-CD1 3.65Å; R277-L334 HydrophobicContact CG-CD1 3.58Å; I281-L334 HydrophobicContact CD1-CD2 4.49Å; I281-L334 HydrophobicContact CG1-CD2 4.21Å; L334-E341 HydrophobicContact CB-CB 4.32Å; L334-E341 HydrophobicContact CB-CG 4.41Å; L334-E341 CarbonylContact O-C 3.5Å; L334-E341 WeakPolarHBondContact O-CA 3.48Å; L334-T342 PolarHBondContact O-N 3.45Å; L334-T342 VanDerWaalsContact O-O 3.11Å; L334-F343 HydrophobicContact CD2-CB 4.06Å; L334-F343 HydrophobicContact CD2-CD2 3.68Å; L334-F343 HydrophobicContact CD2-CG 4.28Å
335S81.8Confident83.9Confident70 Ų7062.5 Ų62.549%0.4937%0.368SS..BIsolated β-bridgetrans-74.3128-179.852.50000112.1S333S333-S335 PolarHBondContact O-N 2.92Å; S333-S335 PolarHBondContact OG-N 2.68Å; S333-S335 PolarHBondContact OG-OG 2.87Å
336N77.8Confident83.8Confident39 Ų3966 Ų6621%0.20940%0.397CS..  trans-88.8178.8168.372.57.9000111.7E338 G339 E340 T342N336-E338 PolarHBondContact O-N 3.03Å; N336-E338 WeakPolarHBondContact OD1-CA 3.13Å; N336-E338 WeakPolarHBondContact OD1-CB 3.48Å; N336-E338 PolarHBondContact OD1-N 3.47Å; N336-G339 PolarHBondContact O-N 2.89Å; N336-G339 PolarHBondContact OD1-N 3.04Å; N336-E340 PolarHBondContact N-O 2.88Å; N336-E340 PolarHBondContact OD1-N 3.09Å; N336-E340 PolarHBondContact OD1-O 3.35Å; N336-T342 PolarHBondContact ND2-OG1 3.12Å
337L72.9Confident83.7Confident187 Ų18768.2 Ų68.298%0.97941%0.408SS*.THydrogen-bonded Turntrans-66-21.9178.4-68.8172.5000113.4G339L337-G339 VanDerWaalsContact C-N 3.29Å
338E73.7Confident83.8Confident163 Ų16366.9 Ų66.976%0.76239%0.391SS*.THydrogen-bonded Turntrans-86.3-2.5179.6-60.7177.7162.900112.2N336 E340N336-E338 PolarHBondContact O-N 3.03Å; N336-E338 WeakPolarHBondContact OD1-CA 3.13Å; N336-E338 WeakPolarHBondContact OD1-CB 3.48Å; N336-E338 PolarHBondContact OD1-N 3.47Å; E338-E340 VanDerWaalsContact C-N 3.28Å
339G72.1Confident83.8Confident66 Ų6666.4 Ų66.468%0.6839%0.387SS*.SBendtrans81.73.5-178.900000114.2N336 L337N336-G339 PolarHBondContact O-N 2.89Å; N336-G339 PolarHBondContact OD1-N 3.04Å; L337-G339 VanDerWaalsContact C-N 3.29Å
340E78Confident83.8Confident119 Ų11966.3 Ų66.356%0.55638%0.381SS*.  trans-87.3143.4174.5-60.5-168.2169.800111.3N336 E338 T342N336-E340 PolarHBondContact N-O 2.88Å; N336-E340 PolarHBondContact OD1-N 3.09Å; N336-E340 PolarHBondContact OD1-O 3.35Å; E338-E340 VanDerWaalsContact C-N 3.28Å; E340-T342 HydrophobicContact CB-CG2 4.46Å; E340-T342 PolarHBondContact O-N 3.29Å
341E79.4Confident83.7Confident59 Ų5964.1 Ų64.128%0.27637%0.37SS..BIsolated β-bridgetrans-81107.3171.9-71.4-172.8174.100109.5R277 K280 L334R277-E341 WeakPolarHBondContact CG-OE2 3.42Å; R277-E341 IonicContact CZ-OE1 3.87Å; R277-E341 IonicContact NE-OE1 3.48Å; R277-E341 PolarHBondContact NE-OE1 3.02Å; R277-E341 IonicContact NE-OE2 2.71Å; R277-E341 PolarHBondContact NE-OE2 3.44Å; R277-E341 VanDerWaalsContact NE-OE2 3.15Å; R277-E341 IonicContact NH2-OE1 2.78Å; R277-E341 PolarHBondContact NH2-OE1 2.96Å; K280-E341 VanDerWaalsContact CD-O 3.25Å; K280-E341 WeakPolarHBondContact CD-O 3.42Å; K280-E341 VanDerWaalsContact CE-O 3.27Å; K280-E341 WeakPolarHBondContact CE-O 3.43Å; K280-E341 PolarHBondContact NZ-O 2.81Å; L334-E341 HydrophobicContact CB-CB 4.32Å; L334-E341 HydrophobicContact CB-CG 4.41Å; L334-E341 CarbonylContact O-C 3.5Å; L334-E341 WeakPolarHBondContact O-CA 3.48Å
342T81.5Confident83.7Confident52 Ų5269 Ų6932%0.31939%0.393SS..  trans-138.1150.3176.954.40000110.5L334 N336 E340L334-T342 PolarHBondContact O-N 3.45Å; L334-T342 VanDerWaalsContact O-O 3.11Å; N336-T342 PolarHBondContact ND2-OG1 3.12Å; E340-T342 HydrophobicContact CB-CG2 4.46Å; E340-T342 PolarHBondContact O-N 3.29Å
343F82.8Confident83.9Confident16 Ų1665.9 Ų65.97%0.0737%0.37CS..  trans-120.3107175-168.1-96.8000109.3A238 L240 I281 S284 C331 L334 M347 L348A238-F343 HydrophobicContact CB-CE1 4.22Å; A238-F343 HydrophobicContact CB-CZ 3.92Å; L240-F343 HydrophobicContact CD2-CE2 3.78Å; L240-F343 HydrophobicContact CD2-CZ 4.31Å; I281-F343 HydrophobicContact CG1-CB 4.43Å; I281-F343 HydrophobicContact CG1-CG 4.29Å; S284-F343 WeakPolarHBondContact OG-CD1 3.49Å; C331-F343 HydrophobicContact CB-CE2 3.94Å; L334-F343 HydrophobicContact CD2-CB 4.06Å; L334-F343 HydrophobicContact CD2-CD2 3.68Å; L334-F343 HydrophobicContact CD2-CG 4.28Å; F343-M347 HydrophobicContact CE2-CB 4.25Å; F343-M347 HydrophobicContact CE2-SD 4.42Å; F343-M347 HydrophobicContact CZ-CB 3.99Å; F343-L348 HydrophobicContact CE1-CD2 3.69Å; F343-L348 HydrophobicContact CE1-CG 4.09Å; F343-L348 HydrophobicContact CZ-CD2 4.3Å
344E85.1Confident84.2Confident102 Ų10263 Ų6348%0.47735%0.35SS..  trans-77.5144.5-175.3-64.5177.1-17100111.8A346 M347E344-A346 PolarHBondContact O-N 2.65Å; E344-M347 HydrophobicContact CB-CG 4.43Å; E344-M347 PolarHBondContact O-N 2.82Å; E344-M347 VanDerWaalsContact O-N 3.09Å
345T85.9Confident84.8Confident96 Ų9663.3 Ų63.359%0.58935%0.352SS*.G310 helixtrans-62.3-25.9174.852.60000112.6M347 L348T345-M347 PolarHBondContact O-N 3.25Å; T345-L348 WeakPolarHBondContact O-CB 3.26Å; T345-L348 PolarHBondContact O-N 3.01Å; T345-L348 VanDerWaalsContact O-N 3.17Å
346A86.3Confident85.3Confident73 Ų7360.7 Ų60.760%0.60333%0.332SS*.G310 helixtrans-64.4-20.6175.700000113.5E344 L348E344-A346 PolarHBondContact O-N 2.65Å; A346-L348 VanDerWaalsContact C-N 3.31Å
347M87.3Confident86Confident51 Ų5161.8 Ų61.825%0.25134%0.336SS..G310 helixtrans-81.1-12.8177.2-60.1-156.6-171.400113.2A328 T329 C331 F343 E344 T345A328-M347 WeakPolarHBondContact CA-O 3.21Å; T329-M347 PolarHBondContact N-O 3.41Å; C331-M347 HydrophobicContact CB-SD 4.28Å; F343-M347 HydrophobicContact CE2-CB 4.25Å; F343-M347 HydrophobicContact CE2-SD 4.42Å; F343-M347 HydrophobicContact CZ-CB 3.99Å; E344-M347 HydrophobicContact CB-CG 4.43Å; E344-M347 PolarHBondContact O-N 2.82Å; E344-M347 VanDerWaalsContact O-N 3.09Å; T345-M347 PolarHBondContact O-N 3.25Å
348L91.6Very high86.8Confident10 Ų1060.9 Ų60.95%0.05232%0.319CS..  trans-75.7136.8-178.4-66.5171.9000111.7K236 A238 S284 A286 F343 T345 A346K236-L348 HydrophobicContact CB-CD1 4.34Å; K236-L348 HydrophobicContact CD-CD1 4.37Å; A238-L348 HydrophobicContact CB-CD2 3.84Å; S284-L348 WeakPolarHBondContact O-CD1 3.22Å; A286-L348 HydrophobicContact CB-CD2 3.76Å; F343-L348 HydrophobicContact CE1-CD2 3.69Å; F343-L348 HydrophobicContact CE1-CG 4.09Å; F343-L348 HydrophobicContact CZ-CD2 4.3Å; T345-L348 WeakPolarHBondContact O-CB 3.26Å; T345-L348 PolarHBondContact O-N 3.01Å; T345-L348 VanDerWaalsContact O-N 3.17Å; A346-L348 VanDerWaalsContact C-N 3.31Å
349G91.6Very high87.4Confident0 Ų053.3 Ų53.30%028%0.284CS..EExtended strand (participates in β ladder)trans-87.1160.816700000111.9K236 V237 T326 A328K236-G349 CarbonylContact C-O 3.55Å; K236-G349 WeakPolarHBondContact CA-O 3.43Å; V237-G349 PolarHBondContact N-O 3.38Å; V237-G349 PolarHBondContact O-N 3.49Å; T326-G349 WeakPolarHBondContact O-CA 3.39Å; A328-G349 VanDerWaalsContact CB-N 3.35Å
350H92.2Very high88.1Confident77 Ų7751.9 Ų51.936%0.35626%0.264SS..EExtended strand (participates in β ladder)trans-122.7132.6177.6-66.6-63.1000111.9T326 K371T326-H350 PolarHBondContact O-N 3.49Å; H350-K371 HydrophobicContact CB-CB 4.31Å; H350-K371 HydrophobicContact CB-CD 3.71Å; H350-K371 HydrophobicContact CB-CG 4.08Å; H350-K371 PolarHBondContact O-N 3.35Å
351C90.3Very high88.5Confident3 Ų351.9 Ų51.92%0.0227%0.268CS..EExtended strand (participates in β ladder)trans-139.4158.4167.854.30000110.8A235 V237 T326 V354 V367 T370A235-C351 VanDerWaalsContact CB-SG 3.56Å; A235-C351 PolarHBondContact N-O 3.13Å; A235-C351 PolarHBondContact O-N 3.37Å; A235-C351 VanDerWaalsContact O-N 3.07Å; V237-C351 WeakPolarHBondContact CG2-SG 3.2Å; T326-C351 HydrophobicContact CG2-CB 4.45Å; C351-V354 WeakPolarHBondContact SG-CG2 3Å; C351-V367 HydrophobicContact CB-CG1 3.9Å; C351-T370 HydrophobicContact CB-CG2 4.28Å
352E91.1Very high88.9Confident106 Ų10652.3 Ų52.350%0.49527%0.272SS..EExtended strand (participates in β ladder)trans-70.6-43179.6-172.5179.7175.400111.6T233 N234 N369T233-E352 CarbonylContact C-O 3.5Å; T233-E352 WeakPolarHBondContact CA-O 3.43Å; N234-E352 PolarHBondContact N-O 3.35Å; E352-N369 HydrophobicContact CB-CB 3.82Å; E352-N369 PolarHBondContact N-O 2.83Å; E352-N369 VanDerWaalsContact N-O 3.11Å; E352-N369 WeakPolarHBondContact OE2-CB 3.45Å; E352-N369 PolarHBondContact OE2-ND2 2.96Å
353E92.2Very high89.4Confident28 Ų2852.9 Ų52.913%0.13127%0.271CS..EExtended strand (participates in β ladder)trans-149.3138.8-175.3-172.9174.6-144.300111.4R231 L232 K368R231-E353 IonicContact CZ-OE1 2.91Å; R231-E353 IonicContact NE-OE1 3.05Å; R231-E353 PolarHBondContact NE-OE1 3.5Å; R231-E353 IonicContact NH2-OE1 3.39Å; R231-E353 PolarHBondContact NH2-OE1 3.02Å; R231-E353 IonicContact NH2-OE2 2.65Å; L232-E353 WeakPolarHBondContact O-CA 3.41Å; E353-K368 PolarHBondContact O-N 2.87Å
354V93.2Very high89.9Confident0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-121.2120.5164.9-178.60000108L232 A235 V288 M309 C351 I365 L366 V367L232-V354 PolarHBondContact N-O 3.33Å; L232-V354 PolarHBondContact O-N 2.88Å; A235-V354 HydrophobicContact CB-CB 4.29Å; A235-V354 HydrophobicContact CB-CG2 3.68Å; V288-V354 HydrophobicContact CG1-CG1 4.38Å; V288-V354 HydrophobicContact CG2-CB 4.01Å; V288-V354 HydrophobicContact CG2-CG1 4.29Å; V288-V354 HydrophobicContact CG2-CG2 3.98Å; M309-V354 HydrophobicContact CE-CG1 4.46Å; M309-V354 HydrophobicContact SD-CG1 3.76Å; C351-V354 WeakPolarHBondContact SG-CG2 3Å; V354-I365 HydrophobicContact CG1-CG2 3.73Å; V354-L366 WeakPolarHBondContact CA-O 3.42Å; V354-V367 HydrophobicContact CG1-CG2 4.41Å; V354-V367 HydrophobicContact CG2-CB 4.49Å; V354-V367 HydrophobicContact CG2-CG1 4.2Å; V354-V367 HydrophobicContact CG2-CG2 4.2Å
355V94.3Very high90.3Very high13 Ų1347.4 Ų47.48%0.07925%0.246CC..EExtended strand (participates in β ladder)trans-129.1136.6-177.9640000110.2K230 R231 E357 L366 K368K230-V355 CarbonylContact O-C 3.59Å; K230-V355 WeakPolarHBondContact O-CA 3.37Å; R231-V355 HydrophobicContact CB-CG2 4.24Å; R231-V355 HydrophobicContact CG-CB 4.4Å; R231-V355 HydrophobicContact CG-CG2 4.08Å; V355-E357 HydrophobicContact CG1-CG 3.97Å; V355-E357 WeakPolarHBondContact CG1-OE1 3.34Å; V355-E357 HydrophobicContact CG2-CG 3.85Å; V355-L366 HydrophobicContact CG1-CB 3.92Å; V355-L366 HydrophobicContact CG1-CD1 4.49Å; V355-L366 PolarHBondContact N-O 2.88Å; V355-L366 PolarHBondContact O-N 2.79Å; V355-K368 HydrophobicContact CG1-CD 4.41Å
356Q92.8Very high90.7Very high15 Ų1542.9 Ų42.97%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-90.1111.9166-168.9-174.211.900108.1V223 K230 E363 L364 I365V223-Q356 VanDerWaalsContact CG1-OE1 3.29Å; V223-Q356 VanDerWaalsContact CG2-OE1 3.26Å; K230-Q356 HydrophobicContact CB-CB 4.26Å; K230-Q356 PolarHBondContact O-N 3Å; Q356-E363 HydrophobicContact CG-CB 4.39Å; Q356-E363 PolarHBondContact NE2-OE2 3.07Å; Q356-L364 CarbonylContact C-O 3.6Å; Q356-L364 WeakPolarHBondContact CA-O 3.31Å; Q356-I365 HydrophobicContact CB-CG1 4.4Å; Q356-I365 HydrophobicContact CG-CG1 4.19Å
357E91.1Very high90.9Very high62 Ų6239.5 Ų39.529%0.2919%0.189SC..EExtended strand (participates in β ladder)trans-112.2137.1177.6-73-178.3-162.500109.6V355 V359 L364 L366 K368V355-E357 HydrophobicContact CG1-CG 3.97Å; V355-E357 WeakPolarHBondContact CG1-OE1 3.34Å; V355-E357 HydrophobicContact CG2-CG 3.85Å; E357-V359 HydrophobicContact CB-CG2 4.5Å; E357-L364 PolarHBondContact N-O 3.19Å; E357-L364 PolarHBondContact O-N 3.23Å; E357-L366 HydrophobicContact CB-CD1 4.21Å; E357-L366 HydrophobicContact CG-CD1 4.21Å; E357-L366 WeakPolarHBondContact OE2-CD1 3.34Å; E357-K368 IonicContact OE1-NZ 3.21Å; E357-K368 PolarHBondContact OE1-NZ 3.47Å
358R89.4Confident91.1Very high167 Ų16739.6 Ų39.663%0.6319%0.188SC*.EExtended strand (participates in β ladder)trans-84121.1171.9-176.6174.3173168.81.2109.2C360 D361 D362 E363R358-C360 VanDerWaalsContact CG-O 3.3Å; R358-C360 WeakPolarHBondContact CG-O 2.98Å; R358-C360 PolarHBondContact NE-O 3.47Å; R358-D361 IonicContact NH2-OD1 3.15Å; R358-D361 PolarHBondContact NH2-OD1 3.23Å; R358-D362 CarbonylContact C-O 3.38Å; R358-D362 WeakPolarHBondContact CA-O 3.49Å; R358-E363 HydrophobicContact CB-CG 4.47Å; R358-E363 HydrophobicContact CG-CG 4.48Å
359V88.1Confident90.8Very high4 Ų442.9 Ų42.92%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-119.894.7-175.5175.70000107.4A203 E357 D361 D362 L364 I379 R381A203-V359 HydrophobicContact CB-CG1 3.85Å; E357-V359 HydrophobicContact CB-CG2 4.5Å; V359-D361 PolarHBondContact O-N 3.16Å; V359-D362 PolarHBondContact N-O 3.45Å; V359-D362 PolarHBondContact O-N 3Å; V359-L364 HydrophobicContact CB-CD1 3.86Å; V359-L364 HydrophobicContact CB-CG 4.27Å; V359-L364 HydrophobicContact CG1-CD1 4.08Å; V359-L364 HydrophobicContact CG2-CD1 3.95Å; V359-L364 HydrophobicContact CG2-CG 4.39Å; V359-I379 HydrophobicContact CG1-CG2 3.89Å; V359-R381 VanDerWaalsContact CG1-CZ 3.44Å
360C86.2Confident90.5Very high37 Ų3743.5 Ų43.525%0.2521%0.21CC..THydrogen-bonded Turntrans62.4-118-163.5-740000111.6H204 R358 R381H204-C360 PolarHBondContact O-SG 2.95Å; R358-C360 VanDerWaalsContact CG-O 3.3Å; R358-C360 WeakPolarHBondContact CG-O 2.98Å; R358-C360 PolarHBondContact NE-O 3.47Å; C360-R381 PolarHBondContact SG-NH1 3.25Å; C360-R381 PolarHBondContact SG-NH2 3.48Å
361D86.1Confident89.9Confident119 Ų11947.2 Ų47.264%0.63623%0.225SC*.THydrogen-bonded Turntrans-97-14.5-179.7-68.5-36.9000113R358 V359R358-D361 IonicContact NH2-OD1 3.15Å; R358-D361 PolarHBondContact NH2-OD1 3.23Å; V359-D361 PolarHBondContact O-N 3.16Å
362D88.8Confident89.2Confident67 Ų6750 Ų5036%0.35825%0.248SC..EExtended strand (participates in β ladder)trans-87.1145.1176-64-36.1000111.5R358 V359R358-D362 CarbonylContact C-O 3.38Å; R358-D362 WeakPolarHBondContact CA-O 3.49Å; V359-D362 PolarHBondContact N-O 3.45Å; V359-D362 PolarHBondContact O-N 3Å
363E90.6Very high88.4Confident64 Ų6450.3 Ų50.330%0.29925%0.245SC..EExtended strand (participates in β ladder)trans-102.6121168.5-61.4-173.7146.900109T222 K230 Q356 R358T222-E363 HydrophobicContact CG2-CB 4.05Å; K230-E363 IonicContact NZ-OE1 2.62Å; Q356-E363 HydrophobicContact CG-CB 4.39Å; Q356-E363 PolarHBondContact NE2-OE2 3.07Å; R358-E363 HydrophobicContact CB-CG 4.47Å; R358-E363 HydrophobicContact CG-CG 4.48Å
364L93.1Very high87.5Confident4 Ų453.4 Ų53.42%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-111.9149-178.4-58.1-179.7000110.2L201 N220 Q356 E357 V359 L366 I379L201-L364 HydrophobicContact CD1-CD1 3.91Å; L201-L364 HydrophobicContact CD1-CD2 4.07Å; N220-L364 HydrophobicContact CB-CD2 3.92Å; Q356-L364 CarbonylContact C-O 3.6Å; Q356-L364 WeakPolarHBondContact CA-O 3.31Å; E357-L364 PolarHBondContact N-O 3.19Å; E357-L364 PolarHBondContact O-N 3.23Å; V359-L364 HydrophobicContact CB-CD1 3.86Å; V359-L364 HydrophobicContact CB-CG 4.27Å; V359-L364 HydrophobicContact CG1-CD1 4.08Å; V359-L364 HydrophobicContact CG2-CD1 3.95Å; V359-L364 HydrophobicContact CG2-CG 4.39Å; L364-L366 HydrophobicContact CB-CD2 4.34Å; L364-I379 HydrophobicContact CD1-CD1 3.97Å
365I93.9Very high86.9Confident0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-104.1118.1173.9-64.7172.1000108.3L219 C221 V223 I311 V354 Q356L219-I365 HydrophobicContact CB-CB 4.28Å; L219-I365 HydrophobicContact CD2-CB 4.45Å; L219-I365 PolarHBondContact N-O 2.94Å; L219-I365 PolarHBondContact O-N 3.05Å; C221-I365 WeakPolarHBondContact O-CD1 3.31Å; C221-I365 VanDerWaalsContact O-CG1 3.3Å; C221-I365 WeakPolarHBondContact O-CG1 3.41Å; V223-I365 HydrophobicContact CG1-CD1 4.31Å; I311-I365 HydrophobicContact CB-CD1 4.4Å; I311-I365 HydrophobicContact CD1-CD1 3.32Å; I311-I365 HydrophobicContact CD1-CG1 4.44Å; I311-I365 HydrophobicContact CD1-CG2 3.96Å; I311-I365 HydrophobicContact CG1-CD1 3.45Å; I311-I365 VanDerWaalsContact CG1-CD1 3.45Å; I311-I365 HydrophobicContact CG2-CD1 4.04Å; V354-I365 HydrophobicContact CG1-CG2 3.73Å; Q356-I365 HydrophobicContact CB-CG1 4.4Å; Q356-I365 HydrophobicContact CG-CG1 4.19Å
366L93.7Very high86.6Confident0 Ų053.6 Ų53.60%027%0.268CS..EExtended strand (participates in β ladder)trans-104.6115.9-179.8-51.3-175.7000108.9V214 A218 V354 V355 E357 L364 K368 I379V214-L366 HydrophobicContact CG1-CB 4.49Å; V214-L366 HydrophobicContact CG2-CD1 4.42Å; V214-L366 HydrophobicContact CG2-CD2 4.28Å; A218-L366 HydrophobicContact CB-CD2 3.58Å; V354-L366 WeakPolarHBondContact CA-O 3.42Å; V355-L366 HydrophobicContact CG1-CB 3.92Å; V355-L366 HydrophobicContact CG1-CD1 4.49Å; V355-L366 PolarHBondContact N-O 2.88Å; V355-L366 PolarHBondContact O-N 2.79Å; E357-L366 HydrophobicContact CB-CD1 4.21Å; E357-L366 HydrophobicContact CG-CD1 4.21Å; E357-L366 WeakPolarHBondContact OE2-CD1 3.34Å; L364-L366 HydrophobicContact CB-CD2 4.34Å; L366-K368 HydrophobicContact CB-CG 4.29Å; L366-I379 HydrophobicContact CD2-CD1 3.97Å
367V92.4Very high86.6Confident2 Ų252.9 Ų52.91%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-95.196.4171.8-176.80000107.2G216 Y217 T326 C351 V354 T370G216-V367 CarbonylContact C-O 3.38Å; G216-V367 WeakPolarHBondContact CA-O 3.33Å; Y217-V367 PolarHBondContact N-O 2.97Å; Y217-V367 PolarHBondContact O-N 3.15Å; T326-V367 HydrophobicContact CG2-CG1 4.23Å; C351-V367 HydrophobicContact CB-CG1 3.9Å; V354-V367 HydrophobicContact CG1-CG2 4.41Å; V354-V367 HydrophobicContact CG2-CB 4.49Å; V354-V367 HydrophobicContact CG2-CG1 4.2Å; V354-V367 HydrophobicContact CG2-CG2 4.2Å; V367-T370 HydrophobicContact CG1-CG2 3.86Å
368K90.1Very high86.8Confident53 Ų5350 Ų5023%0.2325%0.251CS..EExtended strand (participates in β ladder)trans-91.3145.6-174.9-62.1-179.2-174.41720110.9V214 N215 E353 V355 E357 L366V214-K368 HydrophobicContact CG1-CG 4.35Å; N215-K368 WeakPolarHBondContact O-CA 3.23Å; E353-K368 PolarHBondContact O-N 2.87Å; V355-K368 HydrophobicContact CG1-CD 4.41Å; E357-K368 IonicContact OE1-NZ 3.21Å; E357-K368 PolarHBondContact OE1-NZ 3.47Å; L366-K368 HydrophobicContact CB-CG 4.29Å
369N86.1Confident87Confident79 Ų7942 Ų4242%0.42222%0.221SC..EExtended strand (participates in β ladder)trans48.575.6174-62.3-26.4000113.8N215 E352N215-N369 PolarHBondContact O-N 3.08Å; E352-N369 HydrophobicContact CB-CB 3.82Å; E352-N369 PolarHBondContact N-O 2.83Å; E352-N369 VanDerWaalsContact N-O 3.11Å; E352-N369 WeakPolarHBondContact OE2-CB 3.45Å; E352-N369 PolarHBondContact OE2-ND2 2.96Å
370T84.6Confident87.3Confident14 Ų1441.9 Ų41.99%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-79.8136.3177.849.60000111.7A325 T326 C351 V367 R373A325-T370 HydrophobicContact CB-CG2 3.92Å; A325-T370 WeakPolarHBondContact O-CB 3.5Å; T326-T370 HydrophobicContact CG2-CG2 3.81Å; C351-T370 HydrophobicContact CB-CG2 4.28Å; V367-T370 HydrophobicContact CG1-CG2 3.86Å; T370-R373 PolarHBondContact OG1-O 3.42Å
371K79.1Confident87.6Confident154 Ų15440.6 Ų40.667%0.6721%0.21SC*.SBendtrans-74.1-39.5-171-75.9-164.2-177.1177.10115.1H350H350-K371 HydrophobicContact CB-CB 4.31Å; H350-K371 HydrophobicContact CB-CD 3.71Å; H350-K371 HydrophobicContact CB-CG 4.08Å; H350-K371 PolarHBondContact O-N 3.35Å
372A75.4Confident87.8Confident61 Ų6134.9 Ų34.950%0.50418%0.179SC..SBendtrans-80.6-43.8-168.500000112.2A325A325-A372 WeakPolarHBondContact O-CB 3.42Å; A325-A372 PolarHBondContact O-N 2.9Å
373R76.2Confident87.9Confident113 Ų11335.3 Ų35.343%0.42619%0.192SC..SBendtrans-139.6143.7175-62.3-177.3-175.7-166.7-0.5109.5F184 A325 T370F184-R373 VanDerWaalsContact CD2-CZ 3.44Å; F184-R373 VanDerWaalsContact CE2-CZ 3.43Å; F184-R373 VanDerWaalsContact CE2-NH1 3.32Å; A325-R373 PolarHBondContact O-N 3.49Å; T370-R373 PolarHBondContact OG1-O 3.42Å
374T73.2Confident87.9Confident93 Ų9335.8 Ų35.857%0.57120%0.196SC*.  trans-66.1133.4164.444.10000108.8A181A181-T374 CarbonylContact O-C 3.57Å; A181-T374 VanDerWaalsContact O-CB 3.28Å; A181-T374 WeakPolarHBondContact O-CB 3.41Å; A181-T374 PolarHBondContact O-OG1 3.08Å
375C80.3Confident87.8Confident18 Ų1839.6 Ų39.612%0.12222%0.217CC..  trans-128.7155.8170.3-76.10000107.5G216 A325G216-C375 WeakPolarHBondContact CA-O 3.44Å; G216-C375 PolarHBondContact N-O 3.32Å; G216-C375 CarbonylContact O-C 3.59Å; A325-C375 HydrophobicContact CB-CB 4.1Å; A325-C375 WeakPolarHBondContact CB-SG 3.12Å
376A87.5Confident87.6Confident0 Ų044 Ų440%024%0.236CC..EExtended strand (participates in β ladder)trans-129.5142.2178.200000109.1A178 A181 V198 N199 L213 G216A178-A376 HydrophobicContact CB-CB 3.93Å; A181-A376 HydrophobicContact CB-CB 3.86Å; V198-A376 WeakPolarHBondContact CA-O 3.47Å; N199-A376 PolarHBondContact N-O 3.4Å; L213-A376 HydrophobicContact CD1-CB 3.94Å; G216-A376 CarbonylContact O-C 3.48Å; G216-A376 WeakPolarHBondContact O-CA 3.28Å; G216-A376 PolarHBondContact O-N 3.18Å
377S92.4Very high87.4Confident0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-131142.5167.8-57.60000109.2N199 V214 G216 Y217 A218N199-S377 CarbonylContact O-C 3.38Å; N199-S377 WeakPolarHBondContact O-CA 3.46Å; N199-S377 WeakPolarHBondContact O-CB 3.38Å; V214-S377 PolarHBondContact N-O 3.5Å; V214-S377 PolarHBondContact O-N 3.47Å; V214-S377 VanDerWaalsContact O-N 3.11Å; G216-S377 PolarHBondContact O-N 3.12Å; G216-S377 VanDerWaalsContact O-N 3.17Å; G216-S377 PolarHBondContact O-OG 2.82Å; Y217-S377 WeakPolarHBondContact CA-OG 3.39Å; A218-S377 PolarHBondContact N-OG 2.87Å
378I94.6Very high87.4Confident0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-112.3126.8179.8-64.9170.2000107.4M174 A178 V198 N199 V200 L201 L213 L380 L395M174-I378 HydrophobicContact CG-CD1 4.02Å; M174-I378 HydrophobicContact CG-CG1 4.13Å; M174-I378 HydrophobicContact SD-CB 4.4Å; M174-I378 HydrophobicContact SD-CD1 4.27Å; M174-I378 HydrophobicContact SD-CG1 4.1Å; M174-I378 HydrophobicContact SD-CG2 3.51Å; M174-I378 VanDerWaalsContact SD-CG2 3.51Å; A178-I378 HydrophobicContact CB-CD1 3.82Å; A178-I378 HydrophobicContact CB-CG1 4.36Å; V198-I378 HydrophobicContact CG1-CD1 4.2Å; V198-I378 HydrophobicContact CG1-CG1 4.35Å; N199-I378 PolarHBondContact O-N 3.31Å; V200-I378 WeakPolarHBondContact CA-O 3.38Å; L201-I378 PolarHBondContact N-O 3.21Å; L213-I378 HydrophobicContact CD1-CD1 4.48Å; L213-I378 HydrophobicContact CD1-CG1 3.73Å; I378-L380 HydrophobicContact CG2-CD2 3.8Å; I378-L380 HydrophobicContact CG2-CG 4.17Å; I378-L395 HydrophobicContact CB-CD2 4.12Å; I378-L395 HydrophobicContact CD1-CD1 4.38Å; I378-L395 HydrophobicContact CD1-CD2 3.74Å; I378-L395 HydrophobicContact CD1-CG 4.39Å; I378-L395 HydrophobicContact CG2-CD2 3.81Å
379I94.6Very high87.4Confident0 Ų045.2 Ų45.20%024%0.244CC..EExtended strand (participates in β ladder)trans-103.6111.9173.2-62174000106.9L201 S211 Y212 V214 A218 V359 L364 L366L201-I379 HydrophobicContact CB-CG1 4.37Å; L201-I379 WeakPolarHBondContact O-CA 3.23Å; S211-I379 VanDerWaalsContact CA-O 3.25Å; S211-I379 WeakPolarHBondContact CA-O 3.45Å; S211-I379 WeakPolarHBondContact CB-O 3.35Å; Y212-I379 HydrophobicContact CE1-CB 4.41Å; Y212-I379 HydrophobicContact CE1-CD1 4.5Å; Y212-I379 HydrophobicContact CE1-CG2 4.43Å; Y212-I379 HydrophobicContact CE2-CD1 3.92Å; Y212-I379 PolarHBondContact N-O 2.9Å; Y212-I379 VanDerWaalsContact N-O 3.17Å; Y212-I379 PolarHBondContact O-N 2.91Å; Y212-I379 VanDerWaalsContact O-N 3.11Å; Y212-I379 WeakPolarHBondContact OH-CD1 3.43Å; V214-I379 HydrophobicContact CG2-CD1 3.81Å; V214-I379 HydrophobicContact CG2-CG1 4.31Å; A218-I379 HydrophobicContact CB-CD1 4.37Å; A218-I379 HydrophobicContact CB-CG1 4.47Å; V359-I379 HydrophobicContact CG1-CG2 3.89Å; L364-I379 HydrophobicContact CD1-CD1 3.97Å; L366-I379 HydrophobicContact CD2-CD1 3.97Å
380L94.6Very high87.6Confident1 Ų141.6 Ų41.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-87132.1178.7-65.9178.6000110.5F171 V200 L201 A203 I378 M391 E392 L395F171-L380 HydrophobicContact CE1-CD2 3.96Å; V200-L380 HydrophobicContact CG1-CD1 3.53Å; V200-L380 HydrophobicContact CG1-CG 3.9Å; L201-L380 PolarHBondContact O-N 2.96Å; A203-L380 PolarHBondContact N-O 2.81Å; I378-L380 HydrophobicContact CG2-CD2 3.8Å; I378-L380 HydrophobicContact CG2-CG 4.17Å; L380-M391 HydrophobicContact CD1-CB 4Å; L380-M391 HydrophobicContact CD2-CE 4.32Å; L380-E392 HydrophobicContact CD1-CB 4.12Å; L380-L395 HydrophobicContact CD1-CD2 4.25Å; L380-L395 HydrophobicContact CD2-CD2 4.19Å; L380-L395 HydrophobicContact CG-CD2 4.46Å
381R92.3Very high88Confident10 Ų1040.9 Ų40.94%0.03822%0.221CC..EExtended strand (participates in β ladder)trans-109.3137172-63.4-58.6-139.2178.29.4108.9A203 S207 Q208 E210 S211 V359 C360 M391A203-R381 WeakPolarHBondContact O-CD 2.84Å; S207-R381 WeakPolarHBondContact O-CB 3.37Å; Q208-R381 WeakPolarHBondContact CA-O 3.42Å; E210-R381 HydrophobicContact CB-CG 4.3Å; S211-R381 PolarHBondContact OG-N 3.48Å; V359-R381 VanDerWaalsContact CG1-CZ 3.44Å; C360-R381 PolarHBondContact SG-NH1 3.25Å; C360-R381 PolarHBondContact SG-NH2 3.48Å; R381-M391 WeakPolarHBondContact O-CE 3.44Å
382G90.9Very high88.6Confident0 Ų036.8 Ų36.80%020%0.204CC..EExtended strand (participates in β ladder)trans-158.5165.1179.600000111.1H204 G205 N384H204-G382 CarbonylContact C-O 3.58Å; H204-G382 WeakPolarHBondContact CA-O 3.37Å; G205-G382 PolarHBondContact N-O 3.49Å; G382-N384 PolarHBondContact O-N 3.05Å
383A90.8Very high89.3Confident76 Ų7636.9 Ų36.963%0.62819%0.191SC*.SBendtrans-66-39.7-174.300000112.9M387A383-M387 HydrophobicContact CB-SD 4.01Å
384N90.8Very high90Very high73 Ų7331.5 Ų31.539%0.3917%0.171SC..SBendtrans-143.9170.8-179.260.38.2000110.2G382 F386 M387 C388G382-N384 PolarHBondContact O-N 3.05Å; N384-F386 VanDerWaalsContact C-N 3.35Å; N384-F386 PolarHBondContact O-N 2.78Å; N384-M387 PolarHBondContact O-N 3.5Å; N384-M387 WeakPolarHBondContact OD1-CB 3.47Å; N384-M387 PolarHBondContact OD1-N 3.32Å; N384-C388 PolarHBondContact O-N 3.47Å; N384-C388 VanDerWaalsContact O-N 3.08Å; N384-C388 PolarHBondContact O-SG 3.05Å
385D90.2Very high90.9Very high84 Ų8427.1 Ų27.145%0.44914%0.144SC..Hα-helixtrans-63.7-39.4-179.2-66.4-36.8000112.1H204 M387 C388 D389H204-D385 IonicContact CE1-OD1 3.14Å; H204-D385 IonicContact CG-OD1 2.74Å; H204-D385 IonicContact ND1-OD1 2.72Å; H204-D385 PolarHBondContact ND1-OD1 2.95Å; H204-D385 IonicContact ND1-OD2 3.2Å; D385-M387 VanDerWaalsContact C-N 3.31Å; D385-M387 PolarHBondContact O-N 3.47Å; D385-C388 CarbonylContact O-C 3.6Å; D385-C388 WeakPolarHBondContact O-CA 3.36Å; D385-C388 WeakPolarHBondContact O-CB 3.36Å; D385-C388 PolarHBondContact O-N 3.45Å; D385-D389 VanDerWaalsContact O-CG 3.29Å; D385-D389 PolarHBondContact O-N 2.95Å
386F89.7Confident91.4Very high93 Ų9329.7 Ų29.741%0.40815%0.154SC..Hα-helixtrans-57.5-42.4177.1-54.1-61000112.8V55 N384 E390V55-F386 HydrophobicContact CB-CE1 4.44Å; V55-F386 WeakPolarHBondContact O-CD1 3.46Å; V55-F386 WeakPolarHBondContact O-CE1 3.38Å; N384-F386 VanDerWaalsContact C-N 3.35Å; N384-F386 PolarHBondContact O-N 2.78Å; F386-E390 PolarHBondContact O-N 3.2Å
387M89.9Confident91.6Very high34 Ų3430.1 Ų30.117%0.16716%0.156CC..Hα-helixtrans-66.9-43174.4178.8176.8-124.700110.9I163 Q208 A383 N384 D385 D389 E390 M391I163-M387 HydrophobicContact CD1-CB 4.47Å; I163-M387 HydrophobicContact CD1-CE 3.64Å; I163-M387 HydrophobicContact CD1-CG 3.85Å; I163-M387 HydrophobicContact CG1-CE 3.86Å; Q208-M387 HydrophobicContact CG-CE 4.41Å; Q208-M387 HydrophobicContact CG-SD 4.28Å; A383-M387 HydrophobicContact CB-SD 4.01Å; N384-M387 PolarHBondContact O-N 3.5Å; N384-M387 WeakPolarHBondContact OD1-CB 3.47Å; N384-M387 PolarHBondContact OD1-N 3.32Å; D385-M387 VanDerWaalsContact C-N 3.31Å; D385-M387 PolarHBondContact O-N 3.47Å; M387-D389 VanDerWaalsContact C-N 3.3Å; M387-D389 PolarHBondContact O-N 3.25Å; M387-E390 PolarHBondContact O-N 3.25Å; M387-M391 HydrophobicContact CG-CG 4.31Å; M387-M391 HydrophobicContact CG-SD 3.96Å; M387-M391 WeakPolarHBondContact O-CB 3.43Å; M387-M391 WeakPolarHBondContact O-CG 3.33Å; M387-M391 PolarHBondContact O-N 3.43Å
388C91.9Very high91.6Very high0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-63.3-37.2178.7-64.40000112.3K202 N384 D385 M391 E392K202-C388 HydrophobicContact CB-CB 4.03Å; K202-C388 HydrophobicContact CD-CB 3.9Å; K202-C388 HydrophobicContact CG-CB 4Å; N384-C388 PolarHBondContact O-N 3.47Å; N384-C388 VanDerWaalsContact O-N 3.08Å; N384-C388 PolarHBondContact O-SG 3.05Å; D385-C388 CarbonylContact O-C 3.6Å; D385-C388 WeakPolarHBondContact O-CA 3.36Å; D385-C388 WeakPolarHBondContact O-CB 3.36Å; D385-C388 PolarHBondContact O-N 3.45Å; C388-M391 PolarHBondContact O-N 2.88Å; C388-E392 WeakPolarHBondContact O-CB 3.34Å; C388-E392 PolarHBondContact O-N 3.31Å
389D91.3Very high91.5Very high46 Ų4630.2 Ų30.225%0.24616%0.157CC..Hα-helixtrans-62.6-45.3175.3-72.3-13.9000111.1K202 D385 M387 E392 R393K202-D389 WeakPolarHBondContact CD-OD1 3.49Å; K202-D389 WeakPolarHBondContact CE-OD1 3.21Å; K202-D389 IonicContact NZ-OD1 2.72Å; K202-D389 PolarHBondContact NZ-OD1 3.17Å; D385-D389 VanDerWaalsContact O-CG 3.29Å; D385-D389 PolarHBondContact O-N 2.95Å; M387-D389 VanDerWaalsContact C-N 3.3Å; M387-D389 PolarHBondContact O-N 3.25Å; D389-E392 PolarHBondContact O-N 3.37Å; D389-R393 WeakPolarHBondContact O-CG 3.36Å; D389-R393 PolarHBondContact O-N 3.41Å; D389-R393 VanDerWaalsContact O-N 3.13Å
390E89.8Confident91.4Very high3 Ų330.9 Ų30.91%0.01416%0.161CC..Hα-helixtrans-70.2-35.5177.7-172.558.7-173.800112.4T58 N59 I163 F386 M387 R393 S394T58-E390 VanDerWaalsContact CA-CD 3.48Å; T58-E390 WeakPolarHBondContact CA-OE1 3.31Å; T58-E390 VanDerWaalsContact CA-OE2 3.28Å; T58-E390 WeakPolarHBondContact CA-OE2 3.24Å; T58-E390 WeakPolarHBondContact CB-OE2 3.31Å; T58-E390 VanDerWaalsContact OG1-CD 3.31Å; T58-E390 PolarHBondContact OG1-OE1 3.21Å; T58-E390 PolarHBondContact OG1-OE2 3.32Å; N59-E390 PolarHBondContact N-OE1 3.44Å; I163-E390 HydrophobicContact CB-CG 4.37Å; I163-E390 HydrophobicContact CG2-CB 4.29Å; I163-E390 HydrophobicContact CG2-CG 3.94Å; F386-E390 PolarHBondContact O-N 3.2Å; M387-E390 PolarHBondContact O-N 3.25Å; E390-R393 PolarHBondContact O-N 3.47Å; E390-R393 IonicContact OE2-NH1 3.91Å; E390-R393 PolarHBondContact OE2-NH1 3.27Å; E390-R393 VanDerWaalsContact OE2-NH1 3.1Å; E390-S394 VanDerWaalsContact O-CB 3.27Å; E390-S394 WeakPolarHBondContact O-CB 3.48Å; E390-S394 PolarHBondContact O-N 3.01Å; E390-S394 PolarHBondContact O-OG 3.37Å
391M92.4Very high91.3Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-62.9-41.2172.2-69.817574.800111.7I163 I164 F171 Q208 L380 R381 M387 C388 S394 L395I163-M391 HydrophobicContact CG2-CG 3.76Å; I164-M391 HydrophobicContact CG2-CB 4.1Å; I164-M391 HydrophobicContact CG2-CE 4.02Å; I164-M391 HydrophobicContact CG2-CG 3.67Å; F171-M391 HydrophobicContact CE1-CE 4.09Å; F171-M391 HydrophobicContact CE2-CE 4.22Å; F171-M391 HydrophobicContact CZ-CE 3.47Å; F171-M391 VanDerWaalsContact CZ-CE 3.47Å; Q208-M391 HydrophobicContact CB-CE 4Å; Q208-M391 HydrophobicContact CG-CE 3.89Å; Q208-M391 HydrophobicContact CG-SD 3.94Å; L380-M391 HydrophobicContact CD1-CB 4Å; L380-M391 HydrophobicContact CD2-CE 4.32Å; R381-M391 WeakPolarHBondContact O-CE 3.44Å; M387-M391 HydrophobicContact CG-CG 4.31Å; M387-M391 HydrophobicContact CG-SD 3.96Å; M387-M391 WeakPolarHBondContact O-CB 3.43Å; M387-M391 WeakPolarHBondContact O-CG 3.33Å; M387-M391 PolarHBondContact O-N 3.43Å; C388-M391 PolarHBondContact O-N 2.88Å; M391-S394 PolarHBondContact O-N 2.98Å; M391-L395 VanDerWaalsContact O-CB 3.23Å; M391-L395 WeakPolarHBondContact O-CB 3.05Å; M391-L395 PolarHBondContact O-N 3.41Å
392E92.2Very high91.3Very high67 Ų6730.4 Ų30.431%0.31316%0.16SC..Hα-helixtrans-60.4-47.8176.9-179.9-178.4-174.300111.2V200 K202 L380 C388 D389 L395 H396V200-E392 HydrophobicContact CB-CG 4.4Å; V200-E392 HydrophobicContact CG1-CB 4.45Å; V200-E392 HydrophobicContact CG1-CG 4.02Å; K202-E392 HydrophobicContact CD-CB 4.23Å; K202-E392 VanDerWaalsContact CD-OE2 3.25Å; K202-E392 WeakPolarHBondContact CD-OE2 3.5Å; K202-E392 WeakPolarHBondContact CE-OE2 3.44Å; K202-E392 IonicContact NZ-OE2 2.92Å; K202-E392 PolarHBondContact NZ-OE2 3.09Å; L380-E392 HydrophobicContact CD1-CB 4.12Å; C388-E392 WeakPolarHBondContact O-CB 3.34Å; C388-E392 PolarHBondContact O-N 3.31Å; D389-E392 PolarHBondContact O-N 3.37Å; E392-L395 PolarHBondContact O-N 2.95Å; E392-H396 PolarHBondContact O-N 3.21Å
393R89.3Confident91.3Very high63 Ų6332.5 Ų32.524%0.23817%0.169CC..Hα-helixtrans-60.7-48.6175.7-66.6-179.2-163.6127.70.3111.3D389 E390 L395 H396 D397D389-R393 WeakPolarHBondContact O-CG 3.36Å; D389-R393 PolarHBondContact O-N 3.41Å; D389-R393 VanDerWaalsContact O-N 3.13Å; E390-R393 PolarHBondContact O-N 3.47Å; E390-R393 IonicContact OE2-NH1 3.91Å; E390-R393 PolarHBondContact OE2-NH1 3.27Å; E390-R393 VanDerWaalsContact OE2-NH1 3.1Å; R393-L395 VanDerWaalsContact C-N 3.27Å; R393-L395 PolarHBondContact O-N 3.31Å; R393-H396 WeakPolarHBondContact O-CB 3.3Å; R393-H396 PolarHBondContact O-N 3.41Å; R393-H396 VanDerWaalsContact O-N 3.07Å; R393-D397 PolarHBondContact O-N 2.87Å; R393-D397 VanDerWaalsContact O-N 3.09Å
394S90.8Very high91.3Very high1 Ų130.5 Ų30.51%0.00715%0.145CC..Hα-helixtrans-58.7-39.9-179.9-590000112.9K162 I164 E390 M391 A398K162-S394 WeakPolarHBondContact CB-OG 3.42Å; K162-S394 WeakPolarHBondContact CD-OG 3.37Å; I164-S394 VanDerWaalsContact CD1-CB 3.49Å; E390-S394 VanDerWaalsContact O-CB 3.27Å; E390-S394 WeakPolarHBondContact O-CB 3.48Å; E390-S394 PolarHBondContact O-N 3.01Å; E390-S394 PolarHBondContact O-OG 3.37Å; M391-S394 PolarHBondContact O-N 2.98Å; S394-A398 PolarHBondContact O-N 3.33Å
395L92.8Very high91.3Very high1 Ų127 Ų271%0.00513%0.127CC..Hα-helixtrans-69.5-39.7177.1-16880.4000111.6F171 V175 V200 I378 L380 M391 E392 R393 A398 L399F171-L395 HydrophobicContact CD1-CD1 4.38Å; V175-L395 HydrophobicContact CG2-CD1 3.36Å; V175-L395 HydrophobicContact CG2-CG 4.17Å; V200-L395 HydrophobicContact CG1-CD2 4.02Å; V200-L395 HydrophobicContact CG2-CD2 3.9Å; I378-L395 HydrophobicContact CB-CD2 4.12Å; I378-L395 HydrophobicContact CD1-CD1 4.38Å; I378-L395 HydrophobicContact CD1-CD2 3.74Å; I378-L395 HydrophobicContact CD1-CG 4.39Å; I378-L395 HydrophobicContact CG2-CD2 3.81Å; L380-L395 HydrophobicContact CD1-CD2 4.25Å; L380-L395 HydrophobicContact CD2-CD2 4.19Å; L380-L395 HydrophobicContact CG-CD2 4.46Å; M391-L395 VanDerWaalsContact O-CB 3.23Å; M391-L395 WeakPolarHBondContact O-CB 3.05Å; M391-L395 PolarHBondContact O-N 3.41Å; E392-L395 PolarHBondContact O-N 2.95Å; R393-L395 VanDerWaalsContact C-N 3.27Å; R393-L395 PolarHBondContact O-N 3.31Å; L395-A398 PolarHBondContact O-N 2.65Å; L395-L399 HydrophobicContact CG-CD1 4.29Å; L395-L399 VanDerWaalsContact O-CG 3.27Å; L395-L399 WeakPolarHBondContact O-CG 3.48Å; L395-L399 PolarHBondContact O-N 3.37Å
396H91.6Very high91.3Very high71 Ų7124.6 Ų24.633%0.32911%0.113SC..Hα-helixtrans-58.9-48.3177.1-174.969.3000111.7E392 R393 A398 L399 C400E392-H396 PolarHBondContact O-N 3.21Å; R393-H396 WeakPolarHBondContact O-CB 3.3Å; R393-H396 PolarHBondContact O-N 3.41Å; R393-H396 VanDerWaalsContact O-N 3.07Å; H396-A398 VanDerWaalsContact C-N 3.33Å; H396-A398 PolarHBondContact O-N 3.03Å; H396-L399 WeakPolarHBondContact O-CB 3.48Å; H396-L399 PolarHBondContact O-N 2.64Å; H396-C400 PolarHBondContact O-N 3.44Å; H396-C400 PolarHBondContact O-SG 2.9Å
397D90.9Very high91.1Very high9 Ų923.6 Ų23.65%0.04811%0.11CC..Hα-helixtrans-63.1-41179-60.8-14.1000111.6G90 K162 R393 L399 C400 V401G90-D397 WeakPolarHBondContact O-CA 3.49Å; K162-D397 VanDerWaalsContact NZ-CG 3.26Å; K162-D397 IonicContact NZ-OD2 2.64Å; K162-D397 PolarHBondContact NZ-OD2 2.66Å; R393-D397 PolarHBondContact O-N 2.87Å; R393-D397 VanDerWaalsContact O-N 3.09Å; D397-L399 VanDerWaalsContact C-N 3.35Å; D397-L399 PolarHBondContact O-N 2.99Å; D397-C400 CarbonylContact O-C 3.57Å; D397-C400 WeakPolarHBondContact O-CA 3.15Å; D397-C400 VanDerWaalsContact O-CB 3.29Å; D397-C400 WeakPolarHBondContact O-CB 3.11Å; D397-C400 PolarHBondContact O-N 3.42Å; D397-C400 VanDerWaalsContact O-N 3.14Å; D397-V401 WeakPolarHBondContact O-CG2 3.3Å; D397-V401 PolarHBondContact O-N 3.38Å
398A92.6Very high90.8Very high0 Ų023.8 Ų23.80%012%0.115CC..Hα-helixtrans-64.3-39.7176.200000112M159 V175 S394 L395 H396 C400 V401 V402M159-A398 HydrophobicContact CE-CB 3.4Å; M159-A398 VanDerWaalsContact CE-CB 3.4Å; M159-A398 HydrophobicContact CG-CB 3.99Å; V175-A398 HydrophobicContact CG1-CB 4.25Å; V175-A398 HydrophobicContact CG2-CB 4.33Å; S394-A398 PolarHBondContact O-N 3.33Å; L395-A398 PolarHBondContact O-N 2.65Å; H396-A398 VanDerWaalsContact C-N 3.33Å; H396-A398 PolarHBondContact O-N 3.03Å; A398-C400 VanDerWaalsContact C-N 3.31Å; A398-C400 PolarHBondContact O-N 2.61Å; A398-V401 PolarHBondContact O-N 3.42Å; A398-V402 WeakPolarHBondContact O-CG2 3.18Å; A398-V402 PolarHBondContact O-N 3.49Å
399L93.3Very high90.5Very high3 Ų329.5 Ų29.52%0.01614%0.139CC..Hα-helixtrans-61.9-40172.4-70.4161.8000111.1V175 A178 T179 I195 V198 L395 H396 D397 V402 K403V175-L399 HydrophobicContact CB-CD2 4.36Å; V175-L399 HydrophobicContact CG1-CD2 3.78Å; V175-L399 HydrophobicContact CG1-CG 4.04Å; V175-L399 HydrophobicContact CG2-CD2 4.43Å; V175-L399 HydrophobicContact CG2-CG 4.4Å; A178-L399 HydrophobicContact CB-CD2 4.38Å; T179-L399 WeakPolarHBondContact OG1-CD2 3.28Å; I195-L399 HydrophobicContact CB-CB 4.5Å; I195-L399 HydrophobicContact CD1-CB 4.43Å; I195-L399 VanDerWaalsContact CD1-O 3.3Å; I195-L399 WeakPolarHBondContact CD1-O 3.45Å; I195-L399 HydrophobicContact CG1-CB 4.22Å; I195-L399 HydrophobicContact CG2-CB 3.49Å; I195-L399 VanDerWaalsContact CG2-CB 3.49Å; I195-L399 HydrophobicContact CG2-CD1 3.97Å; I195-L399 HydrophobicContact CG2-CG 4.27Å; V198-L399 HydrophobicContact CG1-CD1 4.48Å; L395-L399 HydrophobicContact CG-CD1 4.29Å; L395-L399 VanDerWaalsContact O-CG 3.27Å; L395-L399 WeakPolarHBondContact O-CG 3.48Å; L395-L399 PolarHBondContact O-N 3.37Å; H396-L399 WeakPolarHBondContact O-CB 3.48Å; H396-L399 PolarHBondContact O-N 2.64Å; D397-L399 VanDerWaalsContact C-N 3.35Å; D397-L399 PolarHBondContact O-N 2.99Å; L399-V402 PolarHBondContact O-N 3.06Å; L399-K403 WeakPolarHBondContact O-CB 3.28Å; L399-K403 PolarHBondContact O-N 3.36Å
400C92.2Very high90.4Very high13 Ų1328.5 Ų28.59%0.08814%0.136CC..Hα-helixtrans-58.8-49.2173.1-77.40000112.1I195 H396 D397 A398 K403 R404I195-C400 HydrophobicContact CD1-CB 4.18Å; H396-C400 PolarHBondContact O-N 3.44Å; H396-C400 PolarHBondContact O-SG 2.9Å; D397-C400 CarbonylContact O-C 3.57Å; D397-C400 WeakPolarHBondContact O-CA 3.15Å; D397-C400 VanDerWaalsContact O-CB 3.29Å; D397-C400 WeakPolarHBondContact O-CB 3.11Å; D397-C400 PolarHBondContact O-N 3.42Å; D397-C400 VanDerWaalsContact O-N 3.14Å; A398-C400 VanDerWaalsContact C-N 3.31Å; A398-C400 PolarHBondContact O-N 2.61Å; C400-K403 WeakPolarHBondContact O-CB 3.4Å; C400-K403 PolarHBondContact O-N 3.44Å; C400-R404 WeakPolarHBondContact O-CG 3.29Å; C400-R404 PolarHBondContact O-N 2.93Å
401V92.4Very high90.5Very high2 Ų228.4 Ų28.41%0.01214%0.136CC..Hα-helixtrans-58.2-51.6176.6169.30000111.4D91 A154 D397 A398 K403 R404 V405 P509D91-V401 HydrophobicContact CB-CG2 3.51Å; D91-V401 VanDerWaalsContact OD2-CG2 3.27Å; D91-V401 WeakPolarHBondContact OD2-CG2 3.46Å; A154-V401 HydrophobicContact CB-CG1 4.32Å; D397-V401 WeakPolarHBondContact O-CG2 3.3Å; D397-V401 PolarHBondContact O-N 3.38Å; A398-V401 PolarHBondContact O-N 3.42Å; V401-K403 VanDerWaalsContact C-N 3.33Å; V401-K403 PolarHBondContact O-N 2.96Å; V401-R404 PolarHBondContact O-N 2.85Å; V401-V405 WeakPolarHBondContact O-CG2 3.36Å; V401-V405 PolarHBondContact O-N 2.9Å; V401-P509 HydrophobicContact CB-CG 4.48Å; V401-P509 HydrophobicContact CG1-CG 3.77Å
402V92.3Very high90.6Very high0 Ų028.4 Ų28.40%014%0.136CC..Hα-helixtrans-61.6-40.7-178.7175.40000111.7L151 A155 V175 V176 T179 A398 L399 R404 V405 L406L151-V402 HydrophobicContact CD2-CG1 4.02Å; A155-V402 HydrophobicContact CB-CG2 3.71Å; V175-V402 HydrophobicContact CG1-CB 4.38Å; V175-V402 HydrophobicContact CG1-CG2 3.83Å; V176-V402 HydrophobicContact CG2-CG1 4.37Å; V176-V402 HydrophobicContact CG2-CG2 4.34Å; T179-V402 HydrophobicContact CG2-CG1 4Å; A398-V402 WeakPolarHBondContact O-CG2 3.18Å; A398-V402 PolarHBondContact O-N 3.49Å; L399-V402 PolarHBondContact O-N 3.06Å; V402-R404 VanDerWaalsContact C-N 3.33Å; V402-R404 PolarHBondContact O-N 3.18Å; V402-V405 PolarHBondContact O-N 3.09Å; V402-L406 HydrophobicContact CG1-CD1 4.04Å; V402-L406 WeakPolarHBondContact O-CG 3.32Å; V402-L406 PolarHBondContact O-N 2.97Å
403K91.2Very high90.6Very high44 Ų4425.2 Ų25.219%0.19112%0.121CC..Hα-helixtrans-56.8-46.4171.5169.2-172174.9-170.50111.6Y193 I195 L399 C400 V401 V405 L406 E407Y193-K403 WeakPolarHBondContact O-CD 3.39Å; I195-K403 HydrophobicContact CD1-CB 3.55Å; I195-K403 HydrophobicContact CD1-CD 3.25Å; I195-K403 HydrophobicContact CD1-CG 4.03Å; I195-K403 HydrophobicContact CG1-CB 3.94Å; I195-K403 HydrophobicContact CG1-CD 3.81Å; I195-K403 HydrophobicContact CG1-CG 4.42Å; L399-K403 WeakPolarHBondContact O-CB 3.28Å; L399-K403 PolarHBondContact O-N 3.36Å; C400-K403 WeakPolarHBondContact O-CB 3.4Å; C400-K403 PolarHBondContact O-N 3.44Å; V401-K403 VanDerWaalsContact C-N 3.33Å; V401-K403 PolarHBondContact O-N 2.96Å; K403-V405 VanDerWaalsContact C-N 3.32Å; K403-V405 PolarHBondContact O-N 3.04Å; K403-L406 PolarHBondContact O-N 3.49Å; K403-E407 WeakPolarHBondContact CE-OE1 3.38Å; K403-E407 HydrophobicContact CG-CG 4.22Å; K403-E407 WeakPolarHBondContact O-CB 3.48Å; K403-E407 WeakPolarHBondContact O-CG 3.12Å; K403-E407 PolarHBondContact O-N 2.9Å
404R90.7Very high90.7Very high33 Ų3322.2 Ų22.213%0.12511%0.11CC..Hα-helixtrans-66-36.2-179-63.8-41.5178.5170.41.4112E88 V89 C400 V401 V402 E407 S408 P509 M511E88-R404 VanDerWaalsContact O-CZ 3.26Å; E88-R404 PolarHBondContact O-NH2 3.42Å; V89-R404 HydrophobicContact CG1-CG 4.43Å; C400-R404 WeakPolarHBondContact O-CG 3.29Å; C400-R404 PolarHBondContact O-N 2.93Å; V401-R404 PolarHBondContact O-N 2.85Å; V402-R404 VanDerWaalsContact C-N 3.33Å; V402-R404 PolarHBondContact O-N 3.18Å; R404-E407 IonicContact CZ-OE2 3.83Å; R404-E407 IonicContact NH1-OE2 2.79Å; R404-E407 PolarHBondContact NH1-OE2 2.96Å; R404-E407 PolarHBondContact O-N 3.29Å; R404-S408 VanDerWaalsContact O-CB 3.3Å; R404-S408 WeakPolarHBondContact O-CB 3.3Å; R404-S408 PolarHBondContact O-N 2.66Å; R404-S408 PolarHBondContact O-OG 3.45Å; R404-P509 HydrophobicContact CB-CB 3.98Å; R404-P509 HydrophobicContact CB-CG 4.1Å; R404-M511 HydrophobicContact CG-CE 4.38Å; R404-M511 VanDerWaalsContact CZ-CE 3.46Å
405V90.8Very high90.7Very high1 Ų122.9 Ų22.91%0.00612%0.117CC..Hα-helixtrans-60.4-47.3171.91790000110.4T143 L151 A154 V401 V402 K403 E407 K409 V411 P509T143-V405 HydrophobicContact CG2-CG1 3.48Å; T143-V405 VanDerWaalsContact CG2-CG1 3.48Å; L151-V405 HydrophobicContact CD2-CB 4.15Å; L151-V405 HydrophobicContact CD2-CG1 3.78Å; A154-V405 HydrophobicContact CB-CG2 3.85Å; V401-V405 WeakPolarHBondContact O-CG2 3.36Å; V401-V405 PolarHBondContact O-N 2.9Å; V402-V405 PolarHBondContact O-N 3.09Å; K403-V405 VanDerWaalsContact C-N 3.32Å; K403-V405 PolarHBondContact O-N 3.04Å; V405-E407 PolarHBondContact O-N 3.28Å; V405-K409 WeakPolarHBondContact O-CA 3.48Å; V405-K409 PolarHBondContact O-N 3.39Å; V405-V411 HydrophobicContact CB-CG1 4.49Å; V405-V411 HydrophobicContact CG1-CG1 3.84Å; V405-V411 HydrophobicContact CG2-CG1 3.98Å; V405-P509 HydrophobicContact CG2-CB 4.22Å; V405-P509 HydrophobicContact CG2-CG 3.8Å
406L88.6Confident90.6Very high32 Ų3222.9 Ų22.917%0.16812%0.117CC..Hα-helixtrans-67.5-34.1-179.5-70.2167.4000113.8L151 T179 L180 Y193 V402 K403L151-L406 HydrophobicContact CD1-CD2 3.95Å; L151-L406 HydrophobicContact CD2-CD1 4.36Å; L151-L406 HydrophobicContact CD2-CD2 3.58Å; L151-L406 HydrophobicContact CD2-CG 3.62Å; L151-L406 HydrophobicContact CG-CD2 4.41Å; T179-L406 HydrophobicContact CG2-CD1 3.7Å; L180-L406 HydrophobicContact CD2-CD1 4.37Å; L180-L406 HydrophobicContact CD2-CD2 4.43Å; Y193-L406 HydrophobicContact CD1-CD1 3.95Å; Y193-L406 HydrophobicContact CD2-CB 3.83Å; Y193-L406 HydrophobicContact CD2-CD1 4.17Å; Y193-L406 HydrophobicContact CE1-CD1 3.8Å; Y193-L406 HydrophobicContact CE2-CB 3.49Å; Y193-L406 VanDerWaalsContact CE2-CB 3.49Å; Y193-L406 HydrophobicContact CE2-CD1 4.06Å; Y193-L406 HydrophobicContact CE2-CG 4.28Å; Y193-L406 HydrophobicContact CG-CD1 4.12Å; V402-L406 HydrophobicContact CG1-CD1 4.04Å; V402-L406 WeakPolarHBondContact O-CG 3.32Å; V402-L406 PolarHBondContact O-N 2.97Å; K403-L406 PolarHBondContact O-N 3.49Å
407E86.3Confident90.7Very high73 Ų7319.5 Ų19.534%0.34110%0.101SC..Hα-helixtrans-77.9-40.8179.2-73.3177.8167.100112.4Y193 K403 R404 V405Y193-E407 HydrophobicContact CD2-CG 4.45Å; K403-E407 WeakPolarHBondContact CE-OE1 3.38Å; K403-E407 HydrophobicContact CG-CG 4.22Å; K403-E407 WeakPolarHBondContact O-CB 3.48Å; K403-E407 WeakPolarHBondContact O-CG 3.12Å; K403-E407 PolarHBondContact O-N 2.9Å; R404-E407 IonicContact CZ-OE2 3.83Å; R404-E407 IonicContact NH1-OE2 2.79Å; R404-E407 PolarHBondContact NH1-OE2 2.96Å; R404-E407 PolarHBondContact O-N 3.29Å; V405-E407 PolarHBondContact O-N 3.28Å
408S82.9Confident90.9Very high38 Ų3819.1 Ų19.127%0.26610%0.099SC..Hα-helixtrans-89-22.7-175.365.40000114R404 S410R404-S408 VanDerWaalsContact O-CB 3.3Å; R404-S408 WeakPolarHBondContact O-CB 3.3Å; R404-S408 PolarHBondContact O-N 2.66Å; R404-S408 PolarHBondContact O-OG 3.45Å; S408-S410 WeakPolarHBondContact CB-OG 3.46Å; S408-S410 PolarHBondContact O-N 3.36Å; S408-S410 VanDerWaalsContact O-N 3.1Å; S408-S410 PolarHBondContact O-OG 3.14Å; S408-S410 PolarHBondContact OG-O 2.94Å; S408-S410 PolarHBondContact OG-OG 3.47Å
409K85.7Confident91.1Very high119 Ų11919.5 Ų19.552%0.51710%0.101SC..  trans55.319.1-174.3-58.4-172.7171.9-161.30115.1T143 V405T143-K409 VanDerWaalsContact CG2-C 3.43Å; T143-K409 PolarHBondContact N-O 3.26Å; T143-K409 WeakPolarHBondContact OG1-CA 3.18Å; T143-K409 WeakPolarHBondContact OG1-CB 3.32Å; T143-K409 PolarHBondContact OG1-O 3.18Å; V405-K409 WeakPolarHBondContact O-CA 3.48Å; V405-K409 PolarHBondContact O-N 3.39Å
410S89.7Confident91.1Very high26 Ų2619.3 Ų19.318%0.18210%0.1CC..EExtended strand (participates in β ladder)trans-137129.2-172.660.10000110.3T140 S408 T510T140-S410 VanDerWaalsContact CG2-CB 3.46Å; S408-S410 WeakPolarHBondContact CB-OG 3.46Å; S408-S410 PolarHBondContact O-N 3.36Å; S408-S410 VanDerWaalsContact O-N 3.1Å; S408-S410 PolarHBondContact O-OG 3.14Å; S408-S410 PolarHBondContact OG-O 2.94Å; S408-S410 PolarHBondContact OG-OG 3.47Å; S410-T510 VanDerWaalsContact C-OG1 3.23Å; S410-T510 WeakPolarHBondContact CB-OG1 3.23Å; S410-T510 PolarHBondContact O-N 3.47Å; S410-T510 PolarHBondContact O-OG1 3.44Å; S410-T510 WeakPolarHBondContact OG-CB 3.35Å; S410-T510 PolarHBondContact OG-OG1 3.28Å
411V92.6Very high91.3Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-125.9157.5175.3-630000111.1I141 T143 L146 V405 Y507 E508 T510I141-V411 HydrophobicContact CB-CG2 4.07Å; I141-V411 PolarHBondContact N-O 3.37Å; I141-V411 PolarHBondContact O-N 3.31Å; T143-V411 HydrophobicContact CG2-CG1 3.93Å; L146-V411 HydrophobicContact CD1-CG2 4.22Å; V405-V411 HydrophobicContact CB-CG1 4.49Å; V405-V411 HydrophobicContact CG1-CG1 3.84Å; V405-V411 HydrophobicContact CG2-CG1 3.98Å; V411-Y507 HydrophobicContact CB-CD1 4.39Å; V411-Y507 HydrophobicContact CG2-CD1 3.84Å; V411-Y507 HydrophobicContact CG2-CE1 4.37Å; V411-Y507 HydrophobicContact CG2-CG 4.26Å; V411-E508 CarbonylContact C-O 3.53Å; V411-E508 WeakPolarHBondContact CA-O 3.35Å; V411-T510 PolarHBondContact N-OG1 2.96Å
412V93.6Very high91.4Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-124.1154.3175-65.70000109.6I135 L139 G414 V418 E508 T510 K513I135-V412 HydrophobicContact CG2-CG1 4.05Å; L139-V412 HydrophobicContact CB-CG1 4.5Å; V412-G414 PolarHBondContact O-N 3.33Å; V412-V418 HydrophobicContact CB-CG2 3.87Å; V412-V418 HydrophobicContact CG2-CG2 3.98Å; V412-E508 HydrophobicContact CG2-CB 4.25Å; V412-E508 WeakPolarHBondContact CG2-O 3.39Å; V412-E508 PolarHBondContact N-O 2.98Å; V412-E508 PolarHBondContact O-N 2.75Å; V412-T510 HydrophobicContact CG1-CG2 4.03Å; V412-K513 HydrophobicContact CG2-CG 3.84Å
413P92.9Very high91.6Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-63.8132.6172.530.5-40000110.3A417 V418 W488 N501P413-A417 HydrophobicContact CB-CB 4.04Å; P413-A417 HydrophobicContact CG-CB 3.99Å; P413-V418 HydrophobicContact CG-CG2 4.36Å; P413-V418 WeakPolarHBondContact O-CG2 3.25Å; P413-W488 HydrophobicContact CB-CE3 4.26Å; P413-W488 HydrophobicContact CG-CE3 3.7Å; P413-W488 HydrophobicContact CG-CZ3 4.1Å; P413-N501 HydrophobicContact CB-CB 4.3Å
414G91.5Very high91.7Very high0 Ų017 Ų170%09%0.089CC..THydrogen-bonded Turntrans-83.5-163.6174.400000113V412 A417 N501 V506 E508V412-G414 PolarHBondContact O-N 3.33Å; G414-A417 WeakPolarHBondContact O-CB 3.26Å; G414-N501 PolarHBondContact O-ND2 3.16Å; G414-V506 PolarHBondContact N-O 3.5Å; G414-E508 WeakPolarHBondContact CA-OE1 3.47Å
415G89.4Confident91.9Very high15 Ų1517.4 Ų17.416%0.1559%0.091CC..THydrogen-bonded Turntrans7134.4169.700000115A417 L491G415-A417 VanDerWaalsContact C-N 3.28Å; G415-A417 PolarHBondContact O-N 3.47Å; G415-L491 PolarHBondContact O-N 3.01Å
416G92.5Very high92.1Very high1 Ų117.3 Ų17.31%0.019%0.09CC..THydrogen-bonded Turntrans80.61.5177.800000115.1E419 A420G416-E419 VanDerWaalsContact C-OE2 3.31Å; G416-E419 WeakPolarHBondContact CA-OE2 3.25Å; G416-A420 WeakPolarHBondContact O-CB 3.34Å; G416-A420 PolarHBondContact O-N 3.01Å; G416-A420 VanDerWaalsContact O-N 3.12Å
417A93.7Very high92.3Very high0 Ų018.4 Ų18.40%09%0.094CC..Hα-helixtrans-65-45.2-178.100000112.1P413 G414 G415 A420 A421 H474 I489P413-A417 HydrophobicContact CB-CB 4.04Å; P413-A417 HydrophobicContact CG-CB 3.99Å; G414-A417 WeakPolarHBondContact O-CB 3.26Å; G415-A417 VanDerWaalsContact C-N 3.28Å; G415-A417 PolarHBondContact O-N 3.47Å; A417-A420 PolarHBondContact O-N 3.11Å; A417-A421 WeakPolarHBondContact O-CB 3.36Å; A417-A421 PolarHBondContact O-N 3.14Å; A417-H474 PolarHBondContact O-CE1 3.4Å; A417-H474 VanDerWaalsContact O-CE1 3.28Å; A417-H474 PolarHBondContact O-NE2 2.87Å; A417-I489 VanDerWaalsContact CB-O 3.23Å; A417-I489 WeakPolarHBondContact CB-O 3.48Å
418V95.1Very high92.6Very high2 Ų218.6 Ų18.61%0.01210%0.098CC..Hα-helixtrans-64.4-44.8-179.8173.70000110.6I135 L139 V412 P413 A420 A421 L422 K513I135-V418 HydrophobicContact CD1-CG1 4.2Å; I135-V418 HydrophobicContact CG1-CG1 4.06Å; L139-V418 HydrophobicContact CD1-CB 4.42Å; L139-V418 HydrophobicContact CD1-CG1 4.09Å; L139-V418 HydrophobicContact CD1-CG2 4.3Å; V412-V418 HydrophobicContact CB-CG2 3.87Å; V412-V418 HydrophobicContact CG2-CG2 3.98Å; P413-V418 HydrophobicContact CG-CG2 4.36Å; P413-V418 WeakPolarHBondContact O-CG2 3.25Å; V418-A420 PolarHBondContact O-N 3.2Å; V418-A421 PolarHBondContact O-N 3.26Å; V418-L422 HydrophobicContact CG1-CD1 3.87Å; V418-L422 HydrophobicContact CG1-CG 4.32Å; V418-L422 WeakPolarHBondContact O-CB 3.3Å; V418-L422 VanDerWaalsContact O-CG 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.22Å; V418-L422 PolarHBondContact O-N 3.1Å; V418-K513 HydrophobicContact CG1-CG 4.41Å
419E95.7Very high93.1Very high7 Ų719 Ų193%0.0339%0.094CC..Hα-helixtrans-64.1-40.6-178.9-65.482.6177.400111.7G416 S423 L448 I451 K513G416-E419 VanDerWaalsContact C-OE2 3.31Å; G416-E419 WeakPolarHBondContact CA-OE2 3.25Å; E419-S423 WeakPolarHBondContact O-CB 3.44Å; E419-S423 PolarHBondContact O-N 3.44Å; E419-L448 HydrophobicContact CB-CB 4.34Å; E419-I451 HydrophobicContact CG-CB 4.09Å; E419-I451 HydrophobicContact CG-CG1 4.28Å; E419-I451 HydrophobicContact CG-CG2 4.39Å; E419-K513 WeakPolarHBondContact OE1-CE 3.44Å; E419-K513 IonicContact OE1-NZ 3.37Å; E419-K513 PolarHBondContact OE1-NZ 2.9Å; E419-K513 IonicContact OE2-NZ 2.76Å
420A94.6Very high93.4Very high0 Ų013.4 Ų13.40%07%0.07CC..Hα-helixtrans-69.1-41.717600000112.9G416 A417 V418 L422 S423 I424 L470G416-A420 WeakPolarHBondContact O-CB 3.34Å; G416-A420 PolarHBondContact O-N 3.01Å; G416-A420 VanDerWaalsContact O-N 3.12Å; A417-A420 PolarHBondContact O-N 3.11Å; V418-A420 PolarHBondContact O-N 3.2Å; A420-L422 VanDerWaalsContact C-N 3.34Å; A420-L422 PolarHBondContact O-N 2.94Å; A420-S423 WeakPolarHBondContact O-CB 3.41Å; A420-S423 PolarHBondContact O-N 3.17Å; A420-I424 PolarHBondContact O-N 2.8Å; A420-L470 HydrophobicContact CB-CD1 4.45Å; A420-L470 HydrophobicContact CB-CD2 3.46Å; A420-L470 VanDerWaalsContact CB-CD2 3.46Å; A420-L470 HydrophobicContact CB-CG 3.54Å
421A94.4Very high93.4Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-60.5-45.3175.400000111.4Y134 L139 A417 V418 Y425 H474 Q478Y134-A421 HydrophobicContact CE1-CB 4.19Å; L139-A421 HydrophobicContact CD1-CB 3.98Å; L139-A421 HydrophobicContact CD2-CB 4.09Å; A417-A421 WeakPolarHBondContact O-CB 3.36Å; A417-A421 PolarHBondContact O-N 3.14Å; V418-A421 PolarHBondContact O-N 3.26Å; A421-Y425 WeakPolarHBondContact O-CB 3.26Å; A421-Y425 PolarHBondContact O-N 3.29Å; A421-H474 WeakPolarHBondContact CB-ND1 3.39Å; A421-Q478 PolarHBondContact O-NE2 2.93Å
422L95.6Very high93.2Very high2 Ų220.7 Ų20.71%0.0112%0.117CC..Hα-helixtrans-65-39.3177.3-73.3176.8000112.4A131 Y134 I135 V418 A420 I424 Y425 L426 L448 L517A131-L422 HydrophobicContact CB-CD1 4.23Å; A131-L422 HydrophobicContact CB-CD2 3.76Å; Y134-L422 HydrophobicContact CD1-CD2 3.79Å; Y134-L422 HydrophobicContact CG-CD2 4.39Å; I135-L422 HydrophobicContact CD1-CD1 3.98Å; I135-L422 HydrophobicContact CG1-CD1 4.23Å; I135-L422 HydrophobicContact CG1-CD2 4.25Å; V418-L422 HydrophobicContact CG1-CD1 3.87Å; V418-L422 HydrophobicContact CG1-CG 4.32Å; V418-L422 WeakPolarHBondContact O-CB 3.3Å; V418-L422 VanDerWaalsContact O-CG 3.23Å; V418-L422 WeakPolarHBondContact O-CG 3.22Å; V418-L422 PolarHBondContact O-N 3.1Å; A420-L422 VanDerWaalsContact C-N 3.34Å; A420-L422 PolarHBondContact O-N 2.94Å; L422-I424 PolarHBondContact O-N 2.93Å; L422-Y425 PolarHBondContact O-N 2.88Å; L422-L426 VanDerWaalsContact O-CB 3.25Å; L422-L426 WeakPolarHBondContact O-CB 3.2Å; L422-L426 VanDerWaalsContact O-CG 3.25Å; L422-L426 WeakPolarHBondContact O-CG 3.5Å; L422-L426 PolarHBondContact O-N 3.19Å; L422-L448 HydrophobicContact CB-CD1 3.63Å; L422-L448 HydrophobicContact CD1-CD1 4.09Å; L422-L517 HydrophobicContact CD1-CD1 3.8Å
423S95.8Very high92.6Very high0 Ų023 Ų230%013%0.128CC..Hα-helixtrans-56.1-51.4177.5-172.40000111.3E419 A420 E427 A445 L449E419-S423 WeakPolarHBondContact O-CB 3.44Å; E419-S423 PolarHBondContact O-N 3.44Å; A420-S423 WeakPolarHBondContact O-CB 3.41Å; A420-S423 PolarHBondContact O-N 3.17Å; S423-E427 WeakPolarHBondContact O-CB 3.26Å; S423-E427 VanDerWaalsContact O-CG 3.28Å; S423-E427 WeakPolarHBondContact O-CG 3.42Å; S423-E427 PolarHBondContact O-N 3.26Å; S423-A445 VanDerWaalsContact CB-O 3.27Å; S423-A445 WeakPolarHBondContact CB-O 3.48Å; S423-A445 WeakPolarHBondContact O-CB 3.33Å; S423-A445 PolarHBondContact OG-O 2.85Å; S423-L449 WeakPolarHBondContact OG-CG 3.27Å
424I94.6Very high91.6Very high8 Ų827 Ų274%0.04117%0.17CC..Hα-helixtrans-68.3-42179.4-57.9-60.2000112A420 L422 L426 E427 N428 R471 H474 N475A420-I424 PolarHBondContact O-N 2.8Å; L422-I424 PolarHBondContact O-N 2.93Å; I424-L426 PolarHBondContact O-N 3.49Å; I424-E427 PolarHBondContact O-N 2.94Å; I424-N428 PolarHBondContact O-N 3.19Å; I424-N428 VanDerWaalsContact O-N 3.09Å; I424-N428 PolarHBondContact O-ND2 2.83Å; I424-R471 HydrophobicContact CD1-CB 4.11Å; I424-R471 HydrophobicContact CD1-CG 4.18Å; I424-H474 HydrophobicContact CG1-CB 4.35Å; I424-N475 HydrophobicContact CG2-CB 4.09Å
425Y94.6Very high91Very high41 Ų4129.4 Ų29.416%0.16119%0.187CC..Hα-helixtrans-62.6-45.4-179171.7-101.6000111.5E130 R133 Y134 A421 L422 N428 Y429E130-Y425 HydrophobicContact CB-CE1 4.4Å; E130-Y425 PolarHBondContact OE2-OH 2.83Å; R133-Y425 PolarHBondContact NH2-OH 2.68Å; R133-Y425 VanDerWaalsContact NH2-OH 3.12Å; Y134-Y425 AromaticContact CD2-CD1 3.89Å; Y134-Y425 HydrophobicContact CD2-CD1 3.89Å; Y134-Y425 AromaticContact CD2-CD2 3.44Å; Y134-Y425 HydrophobicContact CD2-CD2 3.44Å; Y134-Y425 VanDerWaalsContact CD2-CD2 3.44Å; Y134-Y425 HydrophobicContact CD2-CE1 4.04Å; Y134-Y425 AromaticContact CD2-CE2 3.6Å; Y134-Y425 HydrophobicContact CD2-CE2 3.6Å; Y134-Y425 AromaticContact CD2-CG 3.6Å; Y134-Y425 HydrophobicContact CD2-CG 3.6Å; Y134-Y425 AromaticContact CD2-CZ 3.91Å; Y134-Y425 AromaticContact CE2-CD2 3.58Å; Y134-Y425 HydrophobicContact CE2-CD2 3.58Å; Y134-Y425 HydrophobicContact CE2-CE2 4.07Å; Y134-Y425 AromaticContact CE2-CG 3.88Å; Y134-Y425 HydrophobicContact CE2-CG 3.88Å; Y134-Y425 AromaticContact CG-CD1 3.89Å; Y134-Y425 HydrophobicContact CG-CD1 3.89Å; Y134-Y425 HydrophobicContact CG-CD2 4.26Å; Y134-Y425 HydrophobicContact CG-CE1 4.14Å; Y134-Y425 HydrophobicContact CG-CE2 4.48Å; Y134-Y425 AromaticContact CG-CG 3.95Å; Y134-Y425 HydrophobicContact CG-CG 3.95Å; A421-Y425 WeakPolarHBondContact O-CB 3.26Å; A421-Y425 PolarHBondContact O-N 3.29Å; L422-Y425 PolarHBondContact O-N 2.88Å; Y425-N428 PolarHBondContact O-N 3.29Å; Y425-Y429 WeakPolarHBondContact O-CB 3.41Å; Y425-Y429 PolarHBondContact O-N 3.09Å
426L95.1Very high90.6Very high0 Ų037.3 Ų37.30%021%0.212CC..Hα-helixtrans-72-33.2-179.4-68.7174.4000112.4A127 E130 A131 L422 I424 Y429 A430 I441 F444 A445 L448A127-L426 HydrophobicContact CB-CD1 4.49Å; A127-L426 HydrophobicContact CB-CD2 4.41Å; E130-L426 HydrophobicContact CB-CD2 4.1Å; A131-L426 HydrophobicContact CB-CD1 4.24Å; L422-L426 VanDerWaalsContact O-CB 3.25Å; L422-L426 WeakPolarHBondContact O-CB 3.2Å; L422-L426 VanDerWaalsContact O-CG 3.25Å; L422-L426 WeakPolarHBondContact O-CG 3.5Å; L422-L426 PolarHBondContact O-N 3.19Å; I424-L426 PolarHBondContact O-N 3.49Å; L426-Y429 PolarHBondContact O-N 2.73Å; L426-A430 VanDerWaalsContact O-CB 3.3Å; L426-A430 WeakPolarHBondContact O-CB 3.47Å; L426-A430 PolarHBondContact O-N 2.72Å; L426-I441 HydrophobicContact CB-CG2 4.32Å; L426-F444 HydrophobicContact CD1-CD1 3.74Å; L426-F444 HydrophobicContact CD1-CE1 3.96Å; L426-A445 HydrophobicContact CB-CB 3.58Å; L426-A445 HydrophobicContact CD1-CB 4.41Å; L426-L448 HydrophobicContact CD1-CD1 4.18Å
427E93.1Very high90.3Very high54 Ų5440.5 Ų40.525%0.25223%0.226SC..Hα-helixtrans-61-46.5171.7-79.2176.4164.900111.2S423 I424 A430 T431 A445 R471S423-E427 WeakPolarHBondContact O-CB 3.26Å; S423-E427 VanDerWaalsContact O-CG 3.28Å; S423-E427 WeakPolarHBondContact O-CG 3.42Å; S423-E427 PolarHBondContact O-N 3.26Å; I424-E427 PolarHBondContact O-N 2.94Å; E427-A430 WeakPolarHBondContact O-CB 3.4Å; E427-A430 PolarHBondContact O-N 2.92Å; E427-T431 PolarHBondContact O-N 2.83Å; E427-A445 HydrophobicContact CG-CB 3.93Å; E427-R471 IonicContact OE1-CZ 3.79Å; E427-R471 IonicContact OE1-NH2 3.49Å; E427-R471 PolarHBondContact OE1-NH2 3.37Å; E427-R471 IonicContact OE2-CZ 2.68Å; E427-R471 IonicContact OE2-NH2 2.6Å; E427-R471 PolarHBondContact OE2-NH2 3.38Å
428N92.1Very high90.2Very high78 Ų7843.6 Ų43.642%0.41724%0.241SC..Hα-helixtrans-64.9-42.9175.7-70.8-29.6000111.7I424 Y425 A430 T431I424-N428 PolarHBondContact O-N 3.19Å; I424-N428 VanDerWaalsContact O-N 3.09Å; I424-N428 PolarHBondContact O-ND2 2.83Å; Y425-N428 PolarHBondContact O-N 3.29Å; N428-A430 VanDerWaalsContact C-N 3.29Å; N428-A430 PolarHBondContact O-N 3.03Å; N428-T431 PolarHBondContact O-N 3.29Å; N428-T431 PolarHBondContact O-OG1 3.32Å
429Y92.3Very high90Very high46 Ų4647.4 Ų47.418%0.1826%0.26CS..Hα-helixtrans-61.7-38.3174.4-178.4-100.8000111.9L126 E130 Y425 L426 T431 S432 M433 I441L126-Y429 HydrophobicContact CD2-CE1 4.28Å; L126-Y429 HydrophobicContact CG-CE1 4.23Å; E130-Y429 HydrophobicContact CG-CD1 4.3Å; E130-Y429 HydrophobicContact CG-CE1 3.74Å; E130-Y429 HydrophobicContact CG-CE2 4.17Å; Y425-Y429 WeakPolarHBondContact O-CB 3.41Å; Y425-Y429 PolarHBondContact O-N 3.09Å; L426-Y429 PolarHBondContact O-N 2.73Å; Y429-T431 VanDerWaalsContact C-N 3.27Å; Y429-T431 PolarHBondContact O-N 2.85Å; Y429-S432 WeakPolarHBondContact O-CB 3.29Å; Y429-S432 PolarHBondContact O-N 2.89Å; Y429-S432 PolarHBondContact O-OG 2.87Å; Y429-M433 HydrophobicContact CE1-CE 4.14Å; Y429-M433 HydrophobicContact CE1-CG 4.31Å; Y429-M433 HydrophobicContact CE2-CE 3.98Å; Y429-M433 WeakPolarHBondContact OH-CE 3.06Å; Y429-I441 HydrophobicContact CD1-CD1 4.36Å; Y429-I441 HydrophobicContact CD1-CG2 4.38Å; Y429-I441 HydrophobicContact CE1-CD1 4.22Å
430A92.1Very high90Very high2 Ų247.1 Ų47.12%0.01726%0.26CS..Hα-helixtrans-58.7-39.9176.300000111.2L426 E427 N428 S432 M433 Q438 I441 A442L426-A430 VanDerWaalsContact O-CB 3.3Å; L426-A430 WeakPolarHBondContact O-CB 3.47Å; L426-A430 PolarHBondContact O-N 2.72Å; E427-A430 WeakPolarHBondContact O-CB 3.4Å; E427-A430 PolarHBondContact O-N 2.92Å; N428-A430 VanDerWaalsContact C-N 3.29Å; N428-A430 PolarHBondContact O-N 3.03Å; A430-S432 PolarHBondContact O-N 3.16Å; A430-M433 WeakPolarHBondContact O-CA 3.22Å; A430-M433 WeakPolarHBondContact O-CB 3.41Å; A430-M433 PolarHBondContact O-N 3.17Å; A430-Q438 HydrophobicContact CB-CG 4.14Å; A430-Q438 VanDerWaalsContact O-CG 3.3Å; A430-Q438 WeakPolarHBondContact O-CG 3.46Å; A430-I441 HydrophobicContact CB-CB 3.94Å; A430-I441 HydrophobicContact CB-CG2 3.8Å; A430-A442 HydrophobicContact CB-CB 4.36Å
431T89.4Confident90Very high101 Ų10147.1 Ų47.162%0.6226%0.26SS*.Hα-helixtrans-65.7-21.5176.554.50000114.7E427 N428 Y429 M433E427-T431 PolarHBondContact O-N 2.83Å; N428-T431 PolarHBondContact O-N 3.29Å; N428-T431 PolarHBondContact O-OG1 3.32Å; Y429-T431 VanDerWaalsContact C-N 3.27Å; Y429-T431 PolarHBondContact O-N 2.85Å; T431-M433 PolarHBondContact O-N 3.33Å
432S88.4Confident90Very high78 Ų7848.7 Ų48.755%0.54527%0.272SS..Hα-helixtrans-74.6-16.3171.776.60000112.9Y429 A430Y429-S432 WeakPolarHBondContact O-CB 3.29Å; Y429-S432 PolarHBondContact O-N 2.89Å; Y429-S432 PolarHBondContact O-OG 2.87Å; A430-S432 PolarHBondContact O-N 3.16Å
433M83Confident89.9Confident47 Ų4750.5 Ų50.523%0.23228%0.281CS..  trans-95.6123.1175.7-58.4-70.9128.600108.9L126 Y429 A430 T431 Q438 I441L126-M433 HydrophobicContact CD2-SD 4.31Å; Y429-M433 HydrophobicContact CE1-CE 4.14Å; Y429-M433 HydrophobicContact CE1-CG 4.31Å; Y429-M433 HydrophobicContact CE2-CE 3.98Å; Y429-M433 WeakPolarHBondContact OH-CE 3.06Å; A430-M433 WeakPolarHBondContact O-CA 3.22Å; A430-M433 WeakPolarHBondContact O-CB 3.41Å; A430-M433 PolarHBondContact O-N 3.17Å; T431-M433 PolarHBondContact O-N 3.33Å; M433-Q438 PolarHBondContact O-OE1 3.44Å; M433-I441 HydrophobicContact CG-CD1 4.06Å
434G71.5Confident89.9Confident85 Ų8550.5 Ų50.588%0.87628%0.281SS*.  trans-90.92.4179.500000115.3
435S79Confident90Very high51 Ų5150.1 Ų50.136%0.35728%0.279SS..SBendtrans-97.3175.7-170.484.10000112.6E437 Q438S435-E437 PolarHBondContact O-N 3.11Å; S435-E437 VanDerWaalsContact OG-CB 3.28Å; S435-E437 WeakPolarHBondContact OG-CB 3.46Å; S435-E437 WeakPolarHBondContact OG-CG 3.47Å; S435-E437 PolarHBondContact OG-N 3.05Å; S435-E437 VanDerWaalsContact OG-N 3.11Å; S435-E437 PolarHBondContact OG-OE2 3.45Å; S435-Q438 WeakPolarHBondContact O-CB 3.4Å; S435-Q438 PolarHBondContact O-N 3.29Å
436R81Confident90Very high181 Ų18155 Ų5568%0.68330%0.297SS*.THydrogen-bonded Turntrans-57.2-19.1171.1-69.2179.9178.6166.6-1.2113.4Q438 L439R436-Q438 PolarHBondContact O-N 3.32Å; R436-L439 PolarHBondContact O-N 3.05Å
437E85Confident90.1Very high67 Ų6755.1 Ų55.131%0.31330%0.297SS..Hα-helixtrans-69.6-22.1176.5-59.1161.2145.700111.7S435 L439 A440 I441S435-E437 PolarHBondContact O-N 3.11Å; S435-E437 VanDerWaalsContact OG-CB 3.28Å; S435-E437 WeakPolarHBondContact OG-CB 3.46Å; S435-E437 WeakPolarHBondContact OG-CG 3.47Å; S435-E437 PolarHBondContact OG-N 3.05Å; S435-E437 VanDerWaalsContact OG-N 3.11Å; S435-E437 PolarHBondContact OG-OE2 3.45Å; E437-L439 VanDerWaalsContact C-N 3.28Å; E437-L439 PolarHBondContact O-N 2.89Å; E437-A440 PolarHBondContact O-N 3.21Å; E437-A440 VanDerWaalsContact O-N 3.13Å; E437-I441 WeakPolarHBondContact O-CG1 3.44Å; E437-I441 PolarHBondContact O-N 3.37Å
438Q92.4Very high90.2Very high65 Ų6552.5 Ų52.530%0.30429%0.285SS..Hα-helixtrans-53-46.6172.9176.7176.417.700111.4A430 M433 S435 R436 A440 I441 A442A430-Q438 HydrophobicContact CB-CG 4.14Å; A430-Q438 VanDerWaalsContact O-CG 3.3Å; A430-Q438 WeakPolarHBondContact O-CG 3.46Å; M433-Q438 PolarHBondContact O-OE1 3.44Å; S435-Q438 WeakPolarHBondContact O-CB 3.4Å; S435-Q438 PolarHBondContact O-N 3.29Å; R436-Q438 PolarHBondContact O-N 3.32Å; Q438-A440 VanDerWaalsContact C-N 3.32Å; Q438-A440 PolarHBondContact O-N 3.39Å; Q438-I441 PolarHBondContact O-N 3.11Å; Q438-A442 WeakPolarHBondContact O-CB 3.38Å; Q438-A442 PolarHBondContact O-N 2.85Å
439L91.6Very high90.4Very high82 Ų8249 Ų4943%0.42927%0.267SS..Hα-helixtrans-64.2-39.3-179.7-63.6175.6000111.4L110 I115 R436 E437 A442 E443L110-L439 HydrophobicContact CD2-CB 4.11Å; I115-L439 HydrophobicContact CD1-CB 4.3Å; I115-L439 HydrophobicContact CD1-CD1 3.67Å; R436-L439 PolarHBondContact O-N 3.05Å; E437-L439 VanDerWaalsContact C-N 3.28Å; E437-L439 PolarHBondContact O-N 2.89Å; L439-A442 PolarHBondContact O-N 3.43Å; L439-E443 WeakPolarHBondContact O-CB 3.29Å; L439-E443 PolarHBondContact O-N 3.1Å
440A93.7Very high90.6Very high2 Ų247.4 Ų47.42%0.01726%0.261CS..Hα-helixtrans-66.8-40.817700000112.3L110 V120 Y124 E437 Q438 F444L110-A440 HydrophobicContact CD1-CB 4.29Å; V120-A440 HydrophobicContact CB-CB 4.49Å; V120-A440 HydrophobicContact CG1-CB 4.28Å; Y124-A440 HydrophobicContact CD1-CB 4.33Å; Y124-A440 HydrophobicContact CE1-CB 4.45Å; Y124-A440 VanDerWaalsContact CE1-O 3.27Å; Y124-A440 WeakPolarHBondContact CE1-O 3.48Å; E437-A440 PolarHBondContact O-N 3.21Å; E437-A440 VanDerWaalsContact O-N 3.13Å; Q438-A440 VanDerWaalsContact C-N 3.32Å; Q438-A440 PolarHBondContact O-N 3.39Å; A440-F444 WeakPolarHBondContact O-CB 3.36Å; A440-F444 PolarHBondContact O-N 3.32Å
441I95.1Very high90.8Very high0 Ų047.5 Ų47.50%026%0.262CS..Hα-helixtrans-68.2-42.2176.9-61.5165.6000110.5L126 A127 L426 Y429 A430 M433 E437 Q438 F444 A445L126-I441 HydrophobicContact CD2-CD1 4.12Å; A127-I441 HydrophobicContact CB-CB 4.49Å; A127-I441 HydrophobicContact CB-CG1 4.26Å; A127-I441 HydrophobicContact CB-CG2 4.11Å; L426-I441 HydrophobicContact CB-CG2 4.32Å; Y429-I441 HydrophobicContact CD1-CD1 4.36Å; Y429-I441 HydrophobicContact CD1-CG2 4.38Å; Y429-I441 HydrophobicContact CE1-CD1 4.22Å; A430-I441 HydrophobicContact CB-CB 3.94Å; A430-I441 HydrophobicContact CB-CG2 3.8Å; M433-I441 HydrophobicContact CG-CD1 4.06Å; E437-I441 WeakPolarHBondContact O-CG1 3.44Å; E437-I441 PolarHBondContact O-N 3.37Å; Q438-I441 PolarHBondContact O-N 3.11Å; I441-F444 WeakPolarHBondContact O-CB 3.33Å; I441-F444 PolarHBondContact O-N 3.31Å; I441-A445 WeakPolarHBondContact O-CB 3.38Å; I441-A445 PolarHBondContact O-N 3.33Å
442A94.3Very high91.1Very high32 Ų3242.7 Ų42.726%0.26423%0.232SC..Hα-helixtrans-61.8-43.9177.800000111.7A430 Q438 L439 A445 R446A430-A442 HydrophobicContact CB-CB 4.36Å; Q438-A442 WeakPolarHBondContact O-CB 3.38Å; Q438-A442 PolarHBondContact O-N 2.85Å; L439-A442 PolarHBondContact O-N 3.43Å; A442-A445 WeakPolarHBondContact O-CB 3.26Å; A442-A445 PolarHBondContact O-N 3.34Å; A442-R446 PolarHBondContact O-N 2.93Å
443E94.9Very high91.4Very high40 Ų4042.8 Ų42.819%0.18722%0.223CC..Hα-helixtrans-67.1-41175.2-78.2-54.3139.100112.4S106 L110 L439 A445 R446 S447S106-E443 PolarHBondContact OG-OE2 3.01Å; L110-E443 HydrophobicContact CD1-CB 3.99Å; L110-E443 HydrophobicContact CD1-CG 3.99Å; L110-E443 HydrophobicContact CD2-CG 3.87Å; L110-E443 HydrophobicContact CG-CG 4.02Å; L439-E443 WeakPolarHBondContact O-CB 3.29Å; L439-E443 PolarHBondContact O-N 3.1Å; E443-A445 VanDerWaalsContact C-N 3.28Å; E443-A445 PolarHBondContact O-N 2.92Å; E443-R446 WeakPolarHBondContact O-CB 3.43Å; E443-R446 PolarHBondContact O-N 3.3Å; E443-R446 VanDerWaalsContact O-N 3.1Å; E443-S447 PolarHBondContact O-N 3.48Å; E443-S447 PolarHBondContact O-OG 3.04Å
444F95.9Very high92Very high0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-55.3-45.9172.9-174.6-80.1000111.3L103 Y124 A127 C128 L426 A440 I441 R446 S447 L448 T521L103-F444 HydrophobicContact CD1-CD2 4.33Å; L103-F444 HydrophobicContact CD1-CE2 3.87Å; L103-F444 HydrophobicContact CD2-CB 4.36Å; L103-F444 HydrophobicContact CD2-CD2 3.32Å; L103-F444 HydrophobicContact CD2-CE2 3.69Å; L103-F444 HydrophobicContact CD2-CG 3.92Å; L103-F444 HydrophobicContact CG-CD2 4.48Å; L103-F444 HydrophobicContact CG-CE2 4.47Å; Y124-F444 HydrophobicContact CD1-CB 3.87Å; Y124-F444 AromaticContact CD1-CD2 3.8Å; Y124-F444 HydrophobicContact CD1-CD2 3.8Å; Y124-F444 HydrophobicContact CD1-CG 4.31Å; Y124-F444 HydrophobicContact CD2-CD2 4.35Å; Y124-F444 HydrophobicContact CE1-CB 3.88Å; Y124-F444 HydrophobicContact CE1-CD2 4.26Å; Y124-F444 AromaticContact CG-CD2 3.85Å; Y124-F444 HydrophobicContact CG-CD2 3.85Å; A127-F444 HydrophobicContact CB-CB 4.09Å; A127-F444 HydrophobicContact CB-CD1 3.67Å; A127-F444 HydrophobicContact CB-CD2 4.25Å; A127-F444 HydrophobicContact CB-CE1 4.13Å; A127-F444 HydrophobicContact CB-CG 3.74Å; C128-F444 HydrophobicContact CB-CZ 4.27Å; L426-F444 HydrophobicContact CD1-CD1 3.74Å; L426-F444 HydrophobicContact CD1-CE1 3.96Å; A440-F444 WeakPolarHBondContact O-CB 3.36Å; A440-F444 PolarHBondContact O-N 3.32Å; I441-F444 WeakPolarHBondContact O-CB 3.33Å; I441-F444 PolarHBondContact O-N 3.31Å; F444-R446 VanDerWaalsContact C-N 3.31Å; F444-R446 PolarHBondContact O-N 3.42Å; F444-S447 PolarHBondContact O-N 3Å; F444-L448 HydrophobicContact CD1-CD1 4.44Å; F444-L448 HydrophobicContact CE1-CD1 4.14Å; F444-L448 HydrophobicContact CE1-CD2 4.32Å; F444-L448 HydrophobicContact CE1-CG 4.37Å; F444-L448 PolarHBondContact O-N 3.28Å; F444-T521 HydrophobicContact CE2-CG2 4.32Å
445A95.6Very high93.1Very high0 Ų037.8 Ų37.80%018%0.177CC..Hα-helixtrans-62.2-38178.100000112.5S423 L426 E427 I441 A442 E443S423-A445 VanDerWaalsContact CB-O 3.27Å; S423-A445 WeakPolarHBondContact CB-O 3.48Å; S423-A445 WeakPolarHBondContact O-CB 3.33Å; S423-A445 PolarHBondContact OG-O 2.85Å; L426-A445 HydrophobicContact CB-CB 3.58Å; L426-A445 HydrophobicContact CD1-CB 4.41Å; E427-A445 HydrophobicContact CG-CB 3.93Å; I441-A445 WeakPolarHBondContact O-CB 3.38Å; I441-A445 PolarHBondContact O-N 3.33Å; A442-A445 WeakPolarHBondContact O-CB 3.26Å; A442-A445 PolarHBondContact O-N 3.34Å; E443-A445 VanDerWaalsContact C-N 3.28Å; E443-A445 PolarHBondContact O-N 2.92Å
446R94.7Very high93.8Very high145 Ų14535.3 Ų35.355%0.54716%0.16SC..Hα-helixtrans-70.2-39.3176.3-174.8179.9177.9141.7-0.2112.1A442 E443 F444 L448 L449A442-R446 PolarHBondContact O-N 2.93Å; E443-R446 WeakPolarHBondContact O-CB 3.43Å; E443-R446 PolarHBondContact O-N 3.3Å; E443-R446 VanDerWaalsContact O-N 3.1Å; F444-R446 VanDerWaalsContact C-N 3.31Å; F444-R446 PolarHBondContact O-N 3.42Å; R446-L448 PolarHBondContact O-N 3.27Å; R446-L449 WeakPolarHBondContact O-CB 3.31Å; R446-L449 PolarHBondContact O-N 3.27Å; R446-L449 VanDerWaalsContact O-N 3.16Å
447S96.2Very high94.4Very high1 Ų130.8 Ų30.81%0.00715%0.153CC..Hα-helixtrans-60.9-33.3179.1-53.40000112S106 E443 F444 L449 V450S106-S447 WeakPolarHBondContact CB-OG 3.4Å; S106-S447 PolarHBondContact OG-OG 3.38Å; E443-S447 PolarHBondContact O-N 3.48Å; E443-S447 PolarHBondContact O-OG 3.04Å; F444-S447 PolarHBondContact O-N 3Å; S447-L449 PolarHBondContact O-N 2.78Å; S447-L449 VanDerWaalsContact O-N 3.17Å; S447-V450 WeakPolarHBondContact O-CB 2.81Å; S447-V450 WeakPolarHBondContact O-CG1 3.45Å; S447-V450 PolarHBondContact O-N 2.91Å
448L96.3Very high94.8Very high0 Ų029.6 Ų29.60%015%0.148CC..THydrogen-bonded Turntrans-60.4-26.8178.1-63.6-179.1000113.3I99 E419 L422 L426 F444 R446 V450 I451 L517I99-L448 HydrophobicContact CG2-CD2 4.25Å; E419-L448 HydrophobicContact CB-CB 4.34Å; L422-L448 HydrophobicContact CB-CD1 3.63Å; L422-L448 HydrophobicContact CD1-CD1 4.09Å; L426-L448 HydrophobicContact CD1-CD1 4.18Å; F444-L448 HydrophobicContact CD1-CD1 4.44Å; F444-L448 HydrophobicContact CE1-CD1 4.14Å; F444-L448 HydrophobicContact CE1-CD2 4.32Å; F444-L448 HydrophobicContact CE1-CG 4.37Å; F444-L448 PolarHBondContact O-N 3.28Å; R446-L448 PolarHBondContact O-N 3.27Å; L448-V450 PolarHBondContact O-N 3.48Å; L448-V450 VanDerWaalsContact O-N 3.11Å; L448-I451 PolarHBondContact O-N 3.27Å; L448-L517 HydrophobicContact CD2-CD2 3.6Å
449L96.3Very high94.8Very high5 Ų527.3 Ų27.33%0.02614%0.141CC..THydrogen-bonded Turntrans-68.3-7.6177.5-62.1175.8000113.3S423 R446 S447 I451 P452 K453 V467 R471S423-L449 WeakPolarHBondContact OG-CG 3.27Å; R446-L449 WeakPolarHBondContact O-CB 3.31Å; R446-L449 PolarHBondContact O-N 3.27Å; R446-L449 VanDerWaalsContact O-N 3.16Å; S447-L449 PolarHBondContact O-N 2.78Å; S447-L449 VanDerWaalsContact O-N 3.17Å; L449-I451 PolarHBondContact O-N 3.48Å; L449-P452 HydrophobicContact CD2-CG 4.31Å; L449-P452 WeakPolarHBondContact O-CD 3.49Å; L449-P452 WeakPolarHBondContact O-CG 3.47Å; L449-K453 WeakPolarHBondContact O-CB 3.44Å; L449-K453 WeakPolarHBondContact O-CD 3.41Å; L449-K453 WeakPolarHBondContact O-CG 3.27Å; L449-K453 PolarHBondContact O-N 3.32Å; L449-K453 VanDerWaalsContact O-N 3.09Å; L449-V467 HydrophobicContact CD1-CG1 4.38Å; L449-V467 HydrophobicContact CD2-CG1 4.28Å; L449-R471 HydrophobicContact CD2-CG 4.36Å
450V96.3Very high94.8Very high11 Ų1127.9 Ų27.97%0.06716%0.157CC..Hα-helixtrans-59.4-34.6175.172.30000112.3I98 E102 S447 L448 T454I98-V450 HydrophobicContact CG2-CB 4.42Å; I98-V450 HydrophobicContact CG2-CG1 3.78Å; I98-V450 HydrophobicContact CG2-CG2 3.74Å; E102-V450 HydrophobicContact CB-CB 4.15Å; E102-V450 HydrophobicContact CB-CG1 4.01Å; E102-V450 HydrophobicContact CB-CG2 4.29Å; E102-V450 HydrophobicContact CG-CB 3.92Å; E102-V450 HydrophobicContact CG-CG1 4.27Å; E102-V450 HydrophobicContact CG-CG2 4.18Å; S447-V450 WeakPolarHBondContact O-CB 2.81Å; S447-V450 WeakPolarHBondContact O-CG1 3.45Å; S447-V450 PolarHBondContact O-N 2.91Å; L448-V450 PolarHBondContact O-N 3.48Å; L448-V450 VanDerWaalsContact O-N 3.11Å; V450-T454 VanDerWaalsContact O-CB 3.26Å; V450-T454 WeakPolarHBondContact O-CB 3.14Å; V450-T454 PolarHBondContact O-N 2.99Å; V450-T454 PolarHBondContact O-OG1 3.46Å
451I95.9Very high94.7Very high5 Ų531.4 Ų31.43%0.02617%0.173CC..Hα-helixtrans-65.9-59.5179.8-62.5-59000111.1L39 I98 I99 E419 L448 L449 K453 T454 L455L39-I451 HydrophobicContact CD2-CD1 4.02Å; L39-I451 HydrophobicContact CD2-CG2 4.39Å; I98-I451 HydrophobicContact CB-CD1 4.2Å; I98-I451 HydrophobicContact CG2-CD1 4.13Å; I99-I451 HydrophobicContact CD1-CD1 4.39Å; I99-I451 HydrophobicContact CD1-CG1 4.1Å; I99-I451 HydrophobicContact CG1-CD1 4.01Å; I99-I451 HydrophobicContact CG1-CG1 3.88Å; E419-I451 HydrophobicContact CG-CB 4.09Å; E419-I451 HydrophobicContact CG-CG1 4.28Å; E419-I451 HydrophobicContact CG-CG2 4.39Å; L448-I451 PolarHBondContact O-N 3.27Å; L449-I451 PolarHBondContact O-N 3.48Å; I451-K453 VanDerWaalsContact C-N 3.26Å; I451-K453 PolarHBondContact O-N 2.95Å; I451-T454 PolarHBondContact O-N 3.09Å; I451-L455 HydrophobicContact CG2-CD1 4.05Å; I451-L455 VanDerWaalsContact O-CG 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.3Å; I451-L455 PolarHBondContact O-N 3.46Å
452P95.6Very high94.6Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-62.2-32.6178.122.5-32.8000113L449 A456 V467 L470 L491L449-P452 HydrophobicContact CD2-CG 4.31Å; L449-P452 WeakPolarHBondContact O-CD 3.49Å; L449-P452 WeakPolarHBondContact O-CG 3.47Å; P452-A456 WeakPolarHBondContact O-CB 3.36Å; P452-A456 PolarHBondContact O-N 3.06Å; P452-A456 VanDerWaalsContact O-N 3.1Å; P452-V467 HydrophobicContact CB-CG2 4.29Å; P452-L470 HydrophobicContact CB-CD2 4.01Å; P452-L491 HydrophobicContact CB-CD1 3.63Å; P452-L491 WeakPolarHBondContact O-CD1 3.21Å
453K95.4Very high94.5Very high80 Ų8035.7 Ų35.735%0.34819%0.194SC..Hα-helixtrans-62.1-50.5173-74.9172.9-176.6176.10111.8L449 I451 L455 A456 V457 V467L449-K453 WeakPolarHBondContact O-CB 3.44Å; L449-K453 WeakPolarHBondContact O-CD 3.41Å; L449-K453 WeakPolarHBondContact O-CG 3.27Å; L449-K453 PolarHBondContact O-N 3.32Å; L449-K453 VanDerWaalsContact O-N 3.09Å; I451-K453 VanDerWaalsContact C-N 3.26Å; I451-K453 PolarHBondContact O-N 2.95Å; K453-L455 VanDerWaalsContact C-N 3.34Å; K453-L455 PolarHBondContact O-N 3.33Å; K453-A456 PolarHBondContact O-N 3.48Å; K453-V457 WeakPolarHBondContact O-CG2 3.28Å; K453-V457 PolarHBondContact O-N 3.41Å; K453-V467 HydrophobicContact CG-CG2 3.74Å
454T95.3Very high94.4Very high14 Ų1438.8 Ų38.89%0.08622%0.215CC..Hα-helixtrans-65.4-40-178-54.90000111K36 L39 V450 I451 A456 V457 N458K36-T454 HydrophobicContact CB-CG2 3.92Å; K36-T454 HydrophobicContact CG-CG2 3.97Å; K36-T454 WeakPolarHBondContact O-CG2 3.32Å; L39-T454 HydrophobicContact CB-CG2 4.28Å; L39-T454 HydrophobicContact CD2-CG2 3.89Å; V450-T454 VanDerWaalsContact O-CB 3.26Å; V450-T454 WeakPolarHBondContact O-CB 3.14Å; V450-T454 PolarHBondContact O-N 2.99Å; V450-T454 PolarHBondContact O-OG1 3.46Å; I451-T454 PolarHBondContact O-N 3.09Å; T454-A456 VanDerWaalsContact C-N 3.35Å; T454-A456 PolarHBondContact O-N 3.01Å; T454-V457 PolarHBondContact O-N 3.33Å; T454-N458 PolarHBondContact O-N 2.96Å
455L94.2Very high94.3Very high12 Ų1242 Ų426%0.06323%0.233CC..Hα-helixtrans-57.5-45.5173.7-72.6174.8000112.2L39 I451 K453 A459 L493L39-L455 HydrophobicContact CD2-CD2 4.15Å; L39-L455 HydrophobicContact CD2-CG 4.14Å; L39-L455 HydrophobicContact CG-CD2 3.88Å; L39-L455 HydrophobicContact CG-CG 4.42Å; I451-L455 HydrophobicContact CG2-CD1 4.05Å; I451-L455 VanDerWaalsContact O-CG 3.3Å; I451-L455 WeakPolarHBondContact O-CG 3.3Å; I451-L455 PolarHBondContact O-N 3.46Å; K453-L455 VanDerWaalsContact C-N 3.34Å; K453-L455 PolarHBondContact O-N 3.33Å; L455-A459 PolarHBondContact O-N 3.34Å; L455-A459 VanDerWaalsContact O-N 3.17Å; L455-L493 HydrophobicContact CB-CD1 3.96Å; L455-L493 HydrophobicContact CB-CD2 4.11Å; L455-L493 HydrophobicContact CD2-CD1 4.09Å
456A94.3Very high94.2Very high0 Ų042.2 Ų42.20%023%0.234CC..Hα-helixtrans-67.7-38.7177.800000112.8P452 K453 T454 A459 A460 Q461 L466P452-A456 WeakPolarHBondContact O-CB 3.36Å; P452-A456 PolarHBondContact O-N 3.06Å; P452-A456 VanDerWaalsContact O-N 3.1Å; K453-A456 PolarHBondContact O-N 3.48Å; T454-A456 VanDerWaalsContact C-N 3.35Å; T454-A456 PolarHBondContact O-N 3.01Å; A456-A459 WeakPolarHBondContact O-CB 3.43Å; A456-A459 PolarHBondContact O-N 3.15Å; A456-A460 PolarHBondContact O-N 3.23Å; A456-Q461 PolarHBondContact O-N 2.93Å; A456-L466 HydrophobicContact CB-CD1 3.92Å
457V94.1Very high94.1Very high86 Ų8635.8 Ų35.852%0.52121%0.211SC..Hα-helixtrans-63.2-44.8176.1170.40000111.1K453 T454 A459 A460K453-V457 WeakPolarHBondContact O-CG2 3.28Å; K453-V457 PolarHBondContact O-N 3.41Å; T454-V457 PolarHBondContact O-N 3.33Å; V457-A459 PolarHBondContact O-N 2.87Å; V457-A460 PolarHBondContact O-N 3.37Å
458N93.1Very high94Very high42 Ų4238.4 Ų38.423%0.22523%0.233CC..Hα-helixtrans-64.2-27.9176.9-68.1-11.9000111.9K36 L39 V42 T454 A460K36-N458 PolarHBondContact O-ND2 3.13Å; L39-N458 PolarHBondContact O-ND2 3.12Å; V42-N458 HydrophobicContact CG2-CB 3.82Å; T454-N458 PolarHBondContact O-N 2.96Å; N458-A460 PolarHBondContact O-N 2.94Å
459A91.8Very high93.9Very high17 Ų1742.5 Ų42.514%0.1425%0.25CS..THydrogen-bonded Turntrans-78.81.117400000113.9V42 L455 A456 V457 Q461 L493V42-A459 HydrophobicContact CG1-CB 4.46Å; V42-A459 HydrophobicContact CG2-CB 3.92Å; L455-A459 PolarHBondContact O-N 3.34Å; L455-A459 VanDerWaalsContact O-N 3.17Å; A456-A459 WeakPolarHBondContact O-CB 3.43Å; A456-A459 PolarHBondContact O-N 3.15Å; V457-A459 PolarHBondContact O-N 2.87Å; A459-Q461 HydrophobicContact CB-CB 4.41Å; A459-Q461 HydrophobicContact CB-CG 3.79Å; A459-Q461 PolarHBondContact O-N 3.4Å; A459-L493 HydrophobicContact CB-CB 3.96Å; A459-L493 HydrophobicContact CB-CD2 4.13Å; A459-L493 HydrophobicContact CB-CG 4.49Å
460A91.3Very high93.8Very high94 Ų9442.2 Ų42.278%0.77725%0.249SC*.THydrogen-bonded Turntrans53.229.7-170.500000113.7A456 V457 N458A456-A460 PolarHBondContact O-N 3.23Å; V457-A460 PolarHBondContact O-N 3.37Å; N458-A460 PolarHBondContact O-N 2.94Å
461Q91.8Very high93.6Very high76 Ų7645.7 Ų45.736%0.35526%0.261SS..SBendtrans-97.2161.4176.8-61.9-63.4-23.500110.7A456 A459 S463 L466A456-Q461 PolarHBondContact O-N 2.93Å; A459-Q461 HydrophobicContact CB-CB 4.41Å; A459-Q461 HydrophobicContact CB-CG 3.79Å; A459-Q461 PolarHBondContact O-N 3.4Å; Q461-S463 PolarHBondContact O-N 3.36Å; Q461-L466 HydrophobicContact CB-CD1 3.71Å; Q461-L466 HydrophobicContact CG-CD1 4.3Å
462D92.5Very high93.5Very high94 Ų9447.9 Ų47.950%0.50328%0.28SS..  trans-70.798.9171.7-173.2-3.4000110.5T464 D465 L466D462-T464 PolarHBondContact O-N 3.08Å; D462-T464 VanDerWaalsContact OD1-CB 3.25Å; D462-T464 WeakPolarHBondContact OD1-CB 3.39Å; D462-T464 PolarHBondContact OD1-N 3.44Å; D462-T464 PolarHBondContact OD1-OG1 3.46Å; D462-D465 HydrophobicContact CB-CB 4.27Å; D462-D465 PolarHBondContact O-N 3.47Å; D462-L466 PolarHBondContact O-N 2.92Å; D462-L466 VanDerWaalsContact O-N 3.14Å
463S92.9Very high93.4Very high28 Ų2851.1 Ų51.120%0.19629%0.294CS..Hα-helixtrans-58.8-26.8177.168.20000113.3Q461 V467Q461-S463 PolarHBondContact O-N 3.36Å; S463-V467 WeakPolarHBondContact O-CB 3.5Å; S463-V467 WeakPolarHBondContact O-CG2 3.43Å; S463-V467 PolarHBondContact O-N 3.49Å; S463-V467 VanDerWaalsContact O-N 3.11Å
464T92.6Very high93.3Very high104 Ų10447.3 Ų47.364%0.63828%0.277SS*.Hα-helixtrans-71.5-49.8-178.5-45.10000110.4D462 A468D462-T464 PolarHBondContact O-N 3.08Å; D462-T464 VanDerWaalsContact OD1-CB 3.25Å; D462-T464 WeakPolarHBondContact OD1-CB 3.39Å; D462-T464 PolarHBondContact OD1-N 3.44Å; D462-T464 PolarHBondContact OD1-OG1 3.46Å; T464-A468 WeakPolarHBondContact O-CB 3.45Å; T464-A468 PolarHBondContact O-N 3.26Å
465D93.3Very high93.1Very high69 Ų6950 Ų5037%0.36929%0.291SS..Hα-helixtrans-64.5-47.5179179.641.1000111.6D462 V467 A468 K469D462-D465 HydrophobicContact CB-CB 4.27Å; D462-D465 PolarHBondContact O-N 3.47Å; D465-V467 PolarHBondContact O-N 3.38Å; D465-A468 PolarHBondContact O-N 2.74Å; D465-K469 VanDerWaalsContact CG-NZ 3.29Å; D465-K469 WeakPolarHBondContact O-CG 3.38Å; D465-K469 PolarHBondContact O-N 2.86Å; D465-K469 WeakPolarHBondContact OD1-CE 3.3Å; D465-K469 IonicContact OD1-NZ 2.97Å; D465-K469 PolarHBondContact OD1-NZ 3.39Å; D465-K469 VanDerWaalsContact OD1-NZ 3.14Å; D465-K469 IonicContact OD2-NZ 3.63Å; D465-K469 PolarHBondContact OD2-NZ 2.88Å
466L93.8Very high93Very high4 Ų452.6 Ų52.62%0.02130%0.303CS..Hα-helixtrans-62.5-45.3-179.4-77.1-177.3000113.1A456 Q461 D462 K469 L470 L491 G496 P498A456-L466 HydrophobicContact CB-CD1 3.92Å; Q461-L466 HydrophobicContact CB-CD1 3.71Å; Q461-L466 HydrophobicContact CG-CD1 4.3Å; D462-L466 PolarHBondContact O-N 2.92Å; D462-L466 VanDerWaalsContact O-N 3.14Å; L466-K469 PolarHBondContact O-N 3.11Å; L466-L470 VanDerWaalsContact O-CB 3.29Å; L466-L470 WeakPolarHBondContact O-CB 3.27Å; L466-L470 PolarHBondContact O-N 3.19Å; L466-L491 HydrophobicContact CB-CD2 4.02Å; L466-L491 HydrophobicContact CD2-CD2 4.39Å; L466-G496 WeakPolarHBondContact CD2-O 3.21Å; L466-P498 HydrophobicContact CD2-CG 4.41Å
467V93.8Very high92.8Very high9 Ų953 Ų536%0.05531%0.306CS..Hα-helixtrans-70.1-36179.5174.40000110.9L449 P452 K453 S463 D465 L470 R471L449-V467 HydrophobicContact CD1-CG1 4.38Å; L449-V467 HydrophobicContact CD2-CG1 4.28Å; P452-V467 HydrophobicContact CB-CG2 4.29Å; K453-V467 HydrophobicContact CG-CG2 3.74Å; S463-V467 WeakPolarHBondContact O-CB 3.5Å; S463-V467 WeakPolarHBondContact O-CG2 3.43Å; S463-V467 PolarHBondContact O-N 3.49Å; S463-V467 VanDerWaalsContact O-N 3.11Å; D465-V467 PolarHBondContact O-N 3.38Å; V467-L470 PolarHBondContact O-N 2.95Å; V467-R471 HydrophobicContact CG1-CG 4.46Å; V467-R471 WeakPolarHBondContact O-CB 3.48Å; V467-R471 WeakPolarHBondContact O-CG 3.27Å; V467-R471 PolarHBondContact O-N 2.97Å
468A93.6Very high92.4Very high57 Ų5751.4 Ų51.447%0.47129%0.293SS..Hα-helixtrans-62.1-47.5174.700000111.7T464 D465 R471 A472T464-A468 WeakPolarHBondContact O-CB 3.45Å; T464-A468 PolarHBondContact O-N 3.26Å; D465-A468 PolarHBondContact O-N 2.74Å; A468-R471 PolarHBondContact O-N 2.86Å; A468-A472 PolarHBondContact O-N 3.04Å
469K93.8Very high92.2Very high85 Ų8554 Ų5437%0.3731%0.31SS..Hα-helixtrans-61.1-45.6175.6-72.8169.6174.9159.80111.9D465 L466 R471 A472 F473 P498D465-K469 VanDerWaalsContact CG-NZ 3.29Å; D465-K469 WeakPolarHBondContact O-CG 3.38Å; D465-K469 PolarHBondContact O-N 2.86Å; D465-K469 WeakPolarHBondContact OD1-CE 3.3Å; D465-K469 IonicContact OD1-NZ 2.97Å; D465-K469 PolarHBondContact OD1-NZ 3.39Å; D465-K469 VanDerWaalsContact OD1-NZ 3.14Å; D465-K469 IonicContact OD2-NZ 3.63Å; D465-K469 PolarHBondContact OD2-NZ 2.88Å; L466-K469 PolarHBondContact O-N 3.11Å; K469-R471 VanDerWaalsContact C-N 3.35Å; K469-R471 PolarHBondContact O-N 3.03Å; K469-A472 WeakPolarHBondContact O-CB 3.48Å; K469-A472 PolarHBondContact O-N 2.81Å; K469-F473 HydrophobicContact CB-CE2 4.32Å; K469-F473 WeakPolarHBondContact O-CD2 3.37Å; K469-F473 PolarHBondContact O-N 3Å; K469-P498 HydrophobicContact CB-CG 3.82Å; K469-P498 HydrophobicContact CD-CG 4.38Å
470L93.4Very high91.9Very high0 Ų056.4 Ų56.40%032%0.321CS..Hα-helixtrans-57.8-48.6178-170.365.7000110.7A420 P452 L466 V467 A472 F473 H474 I489 L491A420-L470 HydrophobicContact CB-CD1 4.45Å; A420-L470 HydrophobicContact CB-CD2 3.46Å; A420-L470 VanDerWaalsContact CB-CD2 3.46Å; A420-L470 HydrophobicContact CB-CG 3.54Å; P452-L470 HydrophobicContact CB-CD2 4.01Å; L466-L470 VanDerWaalsContact O-CB 3.29Å; L466-L470 WeakPolarHBondContact O-CB 3.27Å; L466-L470 PolarHBondContact O-N 3.19Å; V467-L470 PolarHBondContact O-N 2.95Å; L470-A472 VanDerWaalsContact C-N 3.34Å; L470-A472 PolarHBondContact O-N 3.01Å; L470-F473 PolarHBondContact O-N 2.88Å; L470-H474 PolarHBondContact O-CD2 3.16Å; L470-H474 PolarHBondContact O-N 3.21Å; L470-H474 VanDerWaalsContact O-N 3.08Å; L470-I489 HydrophobicContact CD1-CG2 3.95Å; L470-I489 WeakPolarHBondContact CD1-O 3.28Å; L470-L491 HydrophobicContact CB-CD2 4.48Å; L470-L491 HydrophobicContact CD2-CD1 4.49Å; L470-L491 HydrophobicContact CD2-CD2 4.16Å; L470-L491 HydrophobicContact CD2-CG 4.11Å
471R93.6Very high91.3Very high83 Ų8356.5 Ų56.531%0.31331%0.313SS..Hα-helixtrans-59.5-41.5175.8-75.2-175.878-166.87.1112.7I424 E427 L449 V467 A468 K469 H474 N475I424-R471 HydrophobicContact CD1-CB 4.11Å; I424-R471 HydrophobicContact CD1-CG 4.18Å; E427-R471 IonicContact OE1-CZ 3.79Å; E427-R471 IonicContact OE1-NH2 3.49Å; E427-R471 PolarHBondContact OE1-NH2 3.37Å; E427-R471 IonicContact OE2-CZ 2.68Å; E427-R471 IonicContact OE2-NH2 2.6Å; E427-R471 PolarHBondContact OE2-NH2 3.38Å; L449-R471 HydrophobicContact CD2-CG 4.36Å; V467-R471 HydrophobicContact CG1-CG 4.46Å; V467-R471 WeakPolarHBondContact O-CB 3.48Å; V467-R471 WeakPolarHBondContact O-CG 3.27Å; V467-R471 PolarHBondContact O-N 2.97Å; A468-R471 PolarHBondContact O-N 2.86Å; K469-R471 VanDerWaalsContact C-N 3.35Å; K469-R471 PolarHBondContact O-N 3.03Å; R471-H474 PolarHBondContact O-N 2.96Å; R471-N475 VanDerWaalsContact O-CB 3.29Å; R471-N475 WeakPolarHBondContact O-CB 3.36Å; R471-N475 PolarHBondContact O-N 3.38Å
472A93.3Very high90.7Very high51 Ų5161.8 Ų61.842%0.42134%0.338SS..Hα-helixtrans-60.6-47.1178.100000111.8A468 K469 L470 H474 N475 E476A468-A472 PolarHBondContact O-N 3.04Å; K469-A472 WeakPolarHBondContact O-CB 3.48Å; K469-A472 PolarHBondContact O-N 2.81Å; L470-A472 VanDerWaalsContact C-N 3.34Å; L470-A472 PolarHBondContact O-N 3.01Å; A472-H474 PolarHBondContact O-N 3.28Å; A472-N475 PolarHBondContact O-N 3.26Å; A472-E476 PolarHBondContact O-N 3.22Å
473F93.2Very high90.4Very high68 Ų6863.8 Ų63.830%0.29834%0.339SS..Hα-helixtrans-62.1-44.1177.5-71.1-57.5000113K469 L470 E476 A477 L486 I489 P498K469-F473 HydrophobicContact CB-CE2 4.32Å; K469-F473 WeakPolarHBondContact O-CD2 3.37Å; K469-F473 PolarHBondContact O-N 3Å; L470-F473 PolarHBondContact O-N 2.88Å; F473-E476 PolarHBondContact O-N 3.21Å; F473-A477 WeakPolarHBondContact O-CB 3.46Å; F473-A477 PolarHBondContact O-N 3.41Å; F473-L486 HydrophobicContact CD1-CD1 4.31Å; F473-L486 HydrophobicContact CD1-CD2 4.38Å; F473-I489 HydrophobicContact CB-CD1 3.89Å; F473-I489 HydrophobicContact CB-CG2 4.48Å; F473-I489 HydrophobicContact CD1-CD1 3.79Å; F473-I489 HydrophobicContact CD2-CD1 4.04Å; F473-I489 HydrophobicContact CD2-CG2 4.02Å; F473-I489 HydrophobicContact CE1-CD1 4.32Å; F473-I489 HydrophobicContact CG-CD1 3.64Å; F473-I489 HydrophobicContact CG-CG2 4.44Å; F473-P498 HydrophobicContact CD2-CB 4.12Å; F473-P498 HydrophobicContact CD2-CG 4.47Å; F473-P498 HydrophobicContact CE2-CB 3.87Å; F473-P498 HydrophobicContact CE2-CG 4.04Å
474H92.8Very high89.9Confident1 Ų168.1 Ų68.11%0.00535%0.354CS..Hα-helixtrans-69-33.9179.1-79.5-76.1000112.6A417 A421 I424 L470 R471 A472 A477 Q478 K487 I489A417-H474 PolarHBondContact O-CE1 3.4Å; A417-H474 VanDerWaalsContact O-CE1 3.28Å; A417-H474 PolarHBondContact O-NE2 2.87Å; A421-H474 WeakPolarHBondContact CB-ND1 3.39Å; I424-H474 HydrophobicContact CG1-CB 4.35Å; L470-H474 PolarHBondContact O-CD2 3.16Å; L470-H474 PolarHBondContact O-N 3.21Å; L470-H474 VanDerWaalsContact O-N 3.08Å; R471-H474 PolarHBondContact O-N 2.96Å; A472-H474 PolarHBondContact O-N 3.28Å; H474-A477 PolarHBondContact O-N 2.84Å; H474-Q478 WeakPolarHBondContact O-CG 3.48Å; H474-Q478 PolarHBondContact O-N 2.95Å; H474-K487 PolarHBondContact CE1-O 3.32Å; H474-I489 PolarHBondContact NE2-O 3.32Å
475N92.6Very high89.5Confident69 Ų6968.9 Ų68.937%0.36935%0.354SS..Hα-helixtrans-65.9-47.6172.6-169.815.6000111.4I424 R471 A472 A477 Q478 V479I424-N475 HydrophobicContact CG2-CB 4.09Å; R471-N475 VanDerWaalsContact O-CB 3.29Å; R471-N475 WeakPolarHBondContact O-CB 3.36Å; R471-N475 PolarHBondContact O-N 3.38Å; A472-N475 PolarHBondContact O-N 3.26Å; N475-A477 VanDerWaalsContact C-N 3.25Å; N475-A477 PolarHBondContact O-N 3.29Å; N475-Q478 PolarHBondContact O-N 2.98Å; N475-Q478 VanDerWaalsContact O-N 3.15Å; N475-V479 WeakPolarHBondContact O-CG2 3.37Å; N475-V479 PolarHBondContact O-N 3.23Å
476E91.1Very high89.2Confident68 Ų6867.5 Ų67.532%0.31835%0.347SS..Hα-helixtrans-57.6-39.2173.7-75.9-171.4-161.700112.3A472 F473 Q478 N480 R483 L486A472-E476 PolarHBondContact O-N 3.22Å; F473-E476 PolarHBondContact O-N 3.21Å; E476-Q478 VanDerWaalsContact C-N 3.3Å; E476-Q478 PolarHBondContact O-N 3.49Å; E476-N480 VanDerWaalsContact O-CB 3.31Å; E476-N480 WeakPolarHBondContact O-CB 3.3Å; E476-N480 PolarHBondContact O-N 3.4Å; E476-R483 IonicContact OE2-CZ 3.88Å; E476-R483 IonicContact OE2-NH1 3.84Å; E476-R483 PolarHBondContact OE2-NH1 3.42Å; E476-L486 HydrophobicContact CB-CD1 4.2Å
477A89.8Confident88.9Confident8 Ų869.6 Ų69.67%0.06636%0.355CS..Hα-helixtrans-64.7-32.3179.200000113.4F473 H474 N475 L486 K487F473-A477 WeakPolarHBondContact O-CB 3.46Å; F473-A477 PolarHBondContact O-N 3.41Å; H474-A477 PolarHBondContact O-N 2.84Å; N475-A477 VanDerWaalsContact C-N 3.25Å; N475-A477 PolarHBondContact O-N 3.29Å; A477-L486 HydrophobicContact CB-CB 3.95Å; A477-K487 HydrophobicContact CB-CB 4.12Å
478Q87.2Confident88.7Confident52 Ų5270.1 Ų70.124%0.24336%0.356CS..Hα-helixtrans-84.1-37-179.4-71.5-178.520.600112.3Y134 A421 H474 N475 E476Y134-Q478 PolarHBondContact OH-NE2 3.34Å; A421-Q478 PolarHBondContact O-NE2 2.93Å; H474-Q478 WeakPolarHBondContact O-CG 3.48Å; H474-Q478 PolarHBondContact O-N 2.95Å; N475-Q478 PolarHBondContact O-N 2.98Å; N475-Q478 VanDerWaalsContact O-N 3.15Å; E476-Q478 VanDerWaalsContact C-N 3.3Å; E476-Q478 PolarHBondContact O-N 3.49Å
479V87.3Confident88.7Confident96 Ų9668 Ų6858%0.58234%0.337SS*.Hα-helixtrans-79.5-42-179.41780000111.5N475 P481N475-V479 WeakPolarHBondContact O-CG2 3.37Å; N475-V479 PolarHBondContact O-N 3.23Å; V479-P481 WeakPolarHBondContact O-CD 3.19Å
480N86Confident88.7Confident69 Ų6964 Ų6437%0.36932%0.32SS..  trans-102.5111.9-172.9-64.3-39.3000111.8E476 E482 R483E476-N480 VanDerWaalsContact O-CB 3.31Å; E476-N480 WeakPolarHBondContact O-CB 3.3Å; E476-N480 PolarHBondContact O-N 3.4Å; N480-E482 PolarHBondContact O-N 3.36Å; N480-R483 HydrophobicContact CB-CB 4.3Å; N480-R483 PolarHBondContact O-N 2.99Å; N480-R483 VanDerWaalsContact O-N 3.11Å
481P78.5Confident88.6Confident95 Ų9564.4 Ų64.462%0.61732%0.322SS*.G310 helixtrans-64.9-25.7-178.723.9-32.4000113.8V479 R483 K484V479-P481 WeakPolarHBondContact O-CD 3.19Å; P481-R483 VanDerWaalsContact C-N 3.33Å; P481-K484 VanDerWaalsContact O-CG 3.32Å; P481-K484 WeakPolarHBondContact O-CG 3.34Å
482E80.4Confident88.6Confident188 Ų18861.5 Ų61.588%0.87931%0.313SS*.G310 helixtrans-73-24.1177.1-62.8-176.3171.700113N480N480-E482 PolarHBondContact O-N 3.36Å
483R85Confident88.3Confident136 Ų13659.8 Ų59.851%0.51330%0.296SS..G310 helixtrans-106.423-177.8-65.6-171.2177.6-175.70.8113.4E476 N480 P481 N485 L486E476-R483 IonicContact OE2-CZ 3.88Å; E476-R483 IonicContact OE2-NH1 3.84Å; E476-R483 PolarHBondContact OE2-NH1 3.42Å; N480-R483 HydrophobicContact CB-CB 4.3Å; N480-R483 PolarHBondContact O-N 2.99Å; N480-R483 VanDerWaalsContact O-N 3.11Å; P481-R483 VanDerWaalsContact C-N 3.33Å; R483-N485 PolarHBondContact O-N 3.26Å; R483-L486 HydrophobicContact CB-CD1 3.86Å; R483-L486 HydrophobicContact CB-CG 4.28Å; R483-L486 HydrophobicContact CG-CD1 4.45Å; R483-L486 WeakPolarHBondContact O-CB 3.19Å; R483-L486 WeakPolarHBondContact O-CG 3.38Å; R483-L486 PolarHBondContact O-N 2.97Å
484K82.9Confident88Confident119 Ų11962.3 Ų62.352%0.51732%0.317SS..G310 helixtrans-54.9-25178.5-80.8178.7-179.8-174.20114.2P481 L486 K487P481-K484 VanDerWaalsContact O-CG 3.32Å; P481-K484 WeakPolarHBondContact O-CG 3.34Å; K484-L486 PolarHBondContact O-N 3.45Å; K484-K487 WeakPolarHBondContact O-CB 3.49Å; K484-K487 WeakPolarHBondContact O-CD 3.36Å; K484-K487 WeakPolarHBondContact O-CG 3.49Å; K484-K487 PolarHBondContact O-N 3.22Å
485N84.7Confident87.7Confident120 Ų12067.5 Ų67.564%0.64235%0.345SS*.G310 helixtrans-63.9-21.7177.9-66-19.1000113R483 K487 W488R483-N485 PolarHBondContact O-N 3.26Å; N485-K487 PolarHBondContact O-N 2.85Å; N485-W488 PolarHBondContact O-N 3.48Å
486L87.5Confident87.5Confident40 Ų4064.9 Ų64.921%0.20933%0.334CS..G310 helixtrans-68.1-14.7178.3-61177.9000113.2F473 E476 A477 R483 K484 W488 I489F473-L486 HydrophobicContact CD1-CD1 4.31Å; F473-L486 HydrophobicContact CD1-CD2 4.38Å; E476-L486 HydrophobicContact CB-CD1 4.2Å; A477-L486 HydrophobicContact CB-CB 3.95Å; R483-L486 HydrophobicContact CB-CD1 3.86Å; R483-L486 HydrophobicContact CB-CG 4.28Å; R483-L486 HydrophobicContact CG-CD1 4.45Å; R483-L486 WeakPolarHBondContact O-CB 3.19Å; R483-L486 WeakPolarHBondContact O-CG 3.38Å; R483-L486 PolarHBondContact O-N 2.97Å; K484-L486 PolarHBondContact O-N 3.45Å; L486-W488 PolarHBondContact O-N 2.91Å; L486-W488 VanDerWaalsContact O-N 3.09Å; L486-I489 HydrophobicContact CB-CD1 4.11Å; L486-I489 HydrophobicContact CD2-CD1 3.53Å; L486-I489 HydrophobicContact CG-CD1 4.4Å; L486-I489 WeakPolarHBondContact O-CB 3.28Å; L486-I489 WeakPolarHBondContact O-CG1 3.29Å; L486-I489 PolarHBondContact O-N 3.44Å
487K86.3Confident87.5Confident47 Ų4768.4 Ų68.420%0.20435%0.348CS..G310 helixtrans-63.3-14.1175.878.6-171.1179171.20113.9N138 L139 H474 A477 K484 N485 I489N138-K487 VanDerWaalsContact O-CE 3.28Å; N138-K487 WeakPolarHBondContact O-CE 3.48Å; N138-K487 PolarHBondContact O-NZ 3.27Å; L139-K487 HydrophobicContact CD2-CB 4.45Å; L139-K487 HydrophobicContact CD2-CG 4.49Å; H474-K487 PolarHBondContact CE1-O 3.32Å; A477-K487 HydrophobicContact CB-CB 4.12Å; K484-K487 WeakPolarHBondContact O-CB 3.49Å; K484-K487 WeakPolarHBondContact O-CD 3.36Å; K484-K487 WeakPolarHBondContact O-CG 3.49Å; K484-K487 PolarHBondContact O-N 3.22Å; N485-K487 PolarHBondContact O-N 2.85Å; K487-I489 VanDerWaalsContact C-N 3.34Å
488W90.6Very high87.6Confident20 Ų2069.5 Ų69.58%0.07636%0.355CS..G310 helixtrans-88.8-2.7177.6-52120.8000113L139 I141 P413 N485 L486 G490 D500 N501 K502L139-W488 VanDerWaalsContact O-CZ3 3.31Å; L139-W488 WeakPolarHBondContact O-CZ3 3.43Å; I141-W488 HydrophobicContact CD1-CD2 4.47Å; I141-W488 HydrophobicContact CD1-CE3 3.89Å; I141-W488 HydrophobicContact CD1-CH2 3.79Å; I141-W488 HydrophobicContact CD1-CZ2 4.33Å; I141-W488 HydrophobicContact CD1-CZ3 3.55Å; I141-W488 HydrophobicContact CG1-CE3 4.35Å; I141-W488 HydrophobicContact CG1-CH2 3.33Å; I141-W488 HydrophobicContact CG1-CZ2 4Å; I141-W488 HydrophobicContact CG1-CZ3 3.54Å; P413-W488 HydrophobicContact CB-CE3 4.26Å; P413-W488 HydrophobicContact CG-CE3 3.7Å; P413-W488 HydrophobicContact CG-CZ3 4.1Å; N485-W488 PolarHBondContact O-N 3.48Å; L486-W488 PolarHBondContact O-N 2.91Å; L486-W488 VanDerWaalsContact O-N 3.09Å; W488-G490 PolarHBondContact O-N 2.94Å; W488-D500 WeakPolarHBondContact CB-OD1 3.17Å; W488-N501 PolarHBondContact O-N 3.43Å; W488-K502 HydrophobicContact CB-CB 4.1Å; W488-K502 HydrophobicContact CD2-CD 4.39Å; W488-K502 HydrophobicContact CG-CB 4.23Å; W488-K502 HydrophobicContact CG-CD 4.37Å
489I93Very high87.9Confident14 Ų1472.6 Ų72.67%0.07236%0.364CS..EExtended strand (participates in β ladder)trans-70.5124.3-178.5-68.6177.3000110.1A417 L470 F473 H474 L486 K487 P498 R499A417-I489 VanDerWaalsContact CB-O 3.23Å; A417-I489 WeakPolarHBondContact CB-O 3.48Å; L470-I489 HydrophobicContact CD1-CG2 3.95Å; L470-I489 WeakPolarHBondContact CD1-O 3.28Å; F473-I489 HydrophobicContact CB-CD1 3.89Å; F473-I489 HydrophobicContact CB-CG2 4.48Å; F473-I489 HydrophobicContact CD1-CD1 3.79Å; F473-I489 HydrophobicContact CD2-CD1 4.04Å; F473-I489 HydrophobicContact CD2-CG2 4.02Å; F473-I489 HydrophobicContact CE1-CD1 4.32Å; F473-I489 HydrophobicContact CG-CD1 3.64Å; F473-I489 HydrophobicContact CG-CG2 4.44Å; H474-I489 PolarHBondContact NE2-O 3.32Å; L486-I489 HydrophobicContact CB-CD1 4.11Å; L486-I489 HydrophobicContact CD2-CD1 3.53Å; L486-I489 HydrophobicContact CG-CD1 4.4Å; L486-I489 WeakPolarHBondContact O-CB 3.28Å; L486-I489 WeakPolarHBondContact O-CG1 3.29Å; L486-I489 PolarHBondContact O-N 3.44Å; K487-I489 VanDerWaalsContact C-N 3.34Å; I489-P498 HydrophobicContact CG2-CB 3.6Å; I489-R499 WeakPolarHBondContact CA-O 3.45Å
490G93.1Very high88.1Confident0 Ų069.7 Ų69.70%035%0.345CS..EExtended strand (participates in β ladder)trans-123.7-168.8168.700000111.2W488 P498 R499W488-G490 PolarHBondContact O-N 2.94Å; G490-P498 VanDerWaalsContact O-CA 3.3Å; G490-P498 WeakPolarHBondContact O-CA 3.46Å; G490-R499 PolarHBondContact N-O 3.42Å; G490-R499 PolarHBondContact O-N 2.98Å
491L92.7Very high88.4Confident9 Ų966.6 Ų66.65%0.04733%0.329CS..EExtended strand (participates in β ladder)trans-92.3126.5-179.8-62.5176.9000111.4G415 P452 L466 L470 L493G415-L491 PolarHBondContact O-N 3.01Å; P452-L491 HydrophobicContact CB-CD1 3.63Å; P452-L491 WeakPolarHBondContact O-CD1 3.21Å; L466-L491 HydrophobicContact CB-CD2 4.02Å; L466-L491 HydrophobicContact CD2-CD2 4.39Å; L470-L491 HydrophobicContact CB-CD2 4.48Å; L470-L491 HydrophobicContact CD2-CD1 4.49Å; L470-L491 HydrophobicContact CD2-CD2 4.16Å; L470-L491 HydrophobicContact CD2-CG 4.11Å; L491-L493 HydrophobicContact CB-CD2 4Å; L491-L493 HydrophobicContact CD1-CD2 4.46Å
492D91.9Very high88.9Confident22 Ų2265.8 Ų65.812%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-92.4106.2160.9-176.9-11.9000108.5V494 N495 G496 K497 R499D492-V494 PolarHBondContact OD1-N 3.36Å; D492-N495 PolarHBondContact OD1-N 3.49Å; D492-N495 PolarHBondContact OD2-ND2 3.17Å; D492-G496 WeakPolarHBondContact O-CA 3.09Å; D492-G496 PolarHBondContact O-N 3.01Å; D492-K497 WeakPolarHBondContact CA-O 3.33Å; D492-K497 WeakPolarHBondContact CB-O 3.25Å; D492-K497 PolarHBondContact N-O 3.03Å; D492-K497 PolarHBondContact O-N 3.32Å; D492-K497 VanDerWaalsContact O-N 3.16Å; D492-R499 HydrophobicContact CB-CB 4.04Å
493L88.5Confident89.2Confident15 Ų1564.4 Ų64.48%0.07931%0.309CS..THydrogen-bonded Turntrans-78.3-21-176.3-58.6179.4000112.8P41 V42 L455 A459 L491P41-L493 HydrophobicContact CG-CD1 3.83Å; V42-L493 HydrophobicContact CG1-CB 4.42Å; V42-L493 HydrophobicContact CG2-CD1 3.91Å; L455-L493 HydrophobicContact CB-CD1 3.96Å; L455-L493 HydrophobicContact CB-CD2 4.11Å; L455-L493 HydrophobicContact CD2-CD1 4.09Å; A459-L493 HydrophobicContact CB-CB 3.96Å; A459-L493 HydrophobicContact CB-CD2 4.13Å; A459-L493 HydrophobicContact CB-CG 4.49Å; L491-L493 HydrophobicContact CB-CD2 4Å; L491-L493 HydrophobicContact CD1-CD2 4.46Å
494V85.4Confident89.4Confident121 Ų12159.1 Ų59.173%0.73330%0.295SS*.THydrogen-bonded Turntrans-76.4-45.9179.6-179.30000109.9D492D492-V494 PolarHBondContact OD1-N 3.36Å
495N87Confident89.6Confident109 Ų10953.8 Ų53.858%0.58327%0.274SS*.THydrogen-bonded Turntrans-92.1-8-179-65.6-53.1000113.6D492 K497D492-N495 PolarHBondContact OD1-N 3.49Å; D492-N495 PolarHBondContact OD2-ND2 3.17Å; N495-K497 PolarHBondContact O-N 2.93Å
496G88.1Confident90Very high14 Ų1450.1 Ų50.114%0.14426%0.255CS..THydrogen-bonded Turntrans62.838.5-177.800000113L466 D492L466-G496 WeakPolarHBondContact CD2-O 3.21Å; D492-G496 WeakPolarHBondContact O-CA 3.09Å; D492-G496 PolarHBondContact O-N 3.01Å
497K91.4Very high90.2Very high143 Ų14348.6 Ų48.662%0.62225%0.247SC*.EExtended strand (participates in β ladder)trans-138.6148.4-178.3-69.1179.5-175.7175.20111.6D492 N495D492-K497 WeakPolarHBondContact CA-O 3.33Å; D492-K497 WeakPolarHBondContact CB-O 3.25Å; D492-K497 PolarHBondContact N-O 3.03Å; D492-K497 PolarHBondContact O-N 3.32Å; D492-K497 VanDerWaalsContact O-N 3.16Å; N495-K497 PolarHBondContact O-N 2.93Å
498P91.9Very high90.5Very high31 Ų3147.9 Ų47.920%0.20124%0.244CC..EExtended strand (participates in β ladder)trans-66.3137.1167.4-19.733.4000110.8L466 K469 F473 I489 G490L466-P498 HydrophobicContact CD2-CG 4.41Å; K469-P498 HydrophobicContact CB-CG 3.82Å; K469-P498 HydrophobicContact CD-CG 4.38Å; F473-P498 HydrophobicContact CD2-CB 4.12Å; F473-P498 HydrophobicContact CD2-CG 4.47Å; F473-P498 HydrophobicContact CE2-CB 3.87Å; F473-P498 HydrophobicContact CE2-CG 4.04Å; I489-P498 HydrophobicContact CG2-CB 3.6Å; G490-P498 VanDerWaalsContact O-CA 3.3Å; G490-P498 WeakPolarHBondContact O-CA 3.46Å
499R93.1Very high90.6Very high116 Ų11647 Ų4744%0.43824%0.241SC..EExtended strand (participates in β ladder)trans-140.5152.9-177.4177.5-178.4169.7-1570.6110.3I489 G490 D492 N501I489-R499 WeakPolarHBondContact CA-O 3.45Å; G490-R499 PolarHBondContact N-O 3.42Å; G490-R499 PolarHBondContact O-N 2.98Å; D492-R499 HydrophobicContact CB-CB 4.04Å; R499-N501 PolarHBondContact O-N 3.36Å; R499-N501 VanDerWaalsContact O-N 3.15Å
500D92.4Very high90.6Very high35 Ų3546.5 Ų46.519%0.18724%0.238CC..EExtended strand (participates in β ladder)trans-66.8107168.6-175-11.7000110.7W488 K502 Q503 A504W488-D500 WeakPolarHBondContact CB-OD1 3.17Å; D500-K502 VanDerWaalsContact C-N 3.3Å; D500-K502 PolarHBondContact O-N 3.11Å; D500-K502 VanDerWaalsContact OD1-CB 3.24Å; D500-K502 WeakPolarHBondContact OD1-CB 3.33Å; D500-K502 PolarHBondContact OD1-N 3.06Å; D500-Q503 HydrophobicContact CB-CB 4.44Å; D500-Q503 HydrophobicContact CB-CG 4.42Å; D500-Q503 PolarHBondContact O-N 3.3Å; D500-Q503 PolarHBondContact OD1-N 2.93Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.29Å; D500-Q503 PolarHBondContact OD2-NE2 3.29Å; D500-A504 PolarHBondContact O-N 3.47Å; D500-A504 VanDerWaalsContact O-N 3.13Å
501N91.1Very high90.5Very high4 Ų448.3 Ų48.32%0.02125%0.247CC..Hα-helixtrans-76.3-18.7-176.8-84.94.5000113.2P413 G414 W488 R499 A504 G505 V506P413-N501 HydrophobicContact CB-CB 4.3Å; G414-N501 PolarHBondContact O-ND2 3.16Å; W488-N501 PolarHBondContact O-N 3.43Å; R499-N501 PolarHBondContact O-N 3.36Å; R499-N501 VanDerWaalsContact O-N 3.15Å; N501-A504 PolarHBondContact O-N 3.09Å; N501-G505 PolarHBondContact O-N 3.12Å; N501-G505 VanDerWaalsContact O-N 3.14Å; N501-V506 HydrophobicContact CB-CB 4.06Å; N501-V506 PolarHBondContact O-N 3.27Å
502K88.9Confident90.5Very high78 Ų7847.9 Ų47.934%0.33925%0.245SC..Hα-helixtrans-65.8-46.7172.2-175.1-178.1178.1179.10110.1I141 W488 D500 A504 G505 Y507I141-K502 HydrophobicContact CD1-CD 3.99Å; I141-K502 HydrophobicContact CD1-CG 3.98Å; W488-K502 HydrophobicContact CB-CB 4.1Å; W488-K502 HydrophobicContact CD2-CD 4.39Å; W488-K502 HydrophobicContact CG-CB 4.23Å; W488-K502 HydrophobicContact CG-CD 4.37Å; D500-K502 VanDerWaalsContact C-N 3.3Å; D500-K502 PolarHBondContact O-N 3.11Å; D500-K502 VanDerWaalsContact OD1-CB 3.24Å; D500-K502 WeakPolarHBondContact OD1-CB 3.33Å; D500-K502 PolarHBondContact OD1-N 3.06Å; K502-A504 VanDerWaalsContact C-N 3.29Å; K502-A504 PolarHBondContact O-N 3.25Å; K502-G505 PolarHBondContact O-N 3.41Å; K502-Y507 HydrophobicContact CG-CE1 4.34Å; K502-Y507 VanDerWaalsContact CG-OH 3.31Å; K502-Y507 WeakPolarHBondContact CG-OH 3.44Å; K502-Y507 PolarHBondContact O-OH 3.22Å
503Q88.1Confident90.5Very high159 Ų15947.4 Ų47.474%0.74324%0.242SC*.Hα-helixtrans-70.9-28.5176.2-65.3179.436.800112.3D500 G505D500-Q503 HydrophobicContact CB-CB 4.44Å; D500-Q503 HydrophobicContact CB-CG 4.42Å; D500-Q503 PolarHBondContact O-N 3.3Å; D500-Q503 PolarHBondContact OD1-N 2.93Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.29Å; D500-Q503 PolarHBondContact OD2-NE2 3.29Å; Q503-G505 VanDerWaalsContact C-N 3.25Å; Q503-G505 PolarHBondContact O-N 3.1Å
504A88.1Confident90.8Very high26 Ų2647.6 Ų47.622%0.21524%0.244CC..Hα-helixtrans-71.8-16.7175.200000114.8D500 N501 K502 V506D500-A504 PolarHBondContact O-N 3.47Å; D500-A504 VanDerWaalsContact O-N 3.13Å; N501-A504 PolarHBondContact O-N 3.09Å; K502-A504 VanDerWaalsContact C-N 3.29Å; K502-A504 PolarHBondContact O-N 3.25Å; A504-V506 VanDerWaalsContact C-N 3.33Å; A504-V506 HydrophobicContact CB-CG2 3.95Å
505G88.4Confident91.2Very high7 Ų744 Ų447%0.07222%0.218CC..THydrogen-bonded Turntrans74.522.5-172.600000113.3N153 N501 K502 Q503 Y507N153-G505 WeakPolarHBondContact CB-O 3.33Å; N501-G505 PolarHBondContact O-N 3.12Å; N501-G505 VanDerWaalsContact O-N 3.14Å; K502-G505 PolarHBondContact O-N 3.41Å; Q503-G505 VanDerWaalsContact C-N 3.25Å; Q503-G505 PolarHBondContact O-N 3.1Å; G505-Y507 PolarHBondContact O-N 3.02Å
506V92.1Very high91.6Very high43 Ų4338.9 Ų38.926%0.26119%0.191SC..  trans-90.490.9178.2-178.20000108.7T157 G414 N501 A504T157-V506 HydrophobicContact CG2-CG1 3.87Å; G414-V506 PolarHBondContact N-O 3.5Å; N501-V506 HydrophobicContact CB-CB 4.06Å; N501-V506 PolarHBondContact O-N 3.27Å; A504-V506 VanDerWaalsContact C-N 3.33Å; A504-V506 HydrophobicContact CB-CG2 3.95Å
507Y92.4Very high92Very high8 Ų838.6 Ų38.63%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-113.7140.8-178.1-63.1-64.8000112.6I141 L146 N153 T157 V411 K502 G505I141-Y507 HydrophobicContact CD1-CE1 3.81Å; L146-Y507 HydrophobicContact CD1-CE1 4.18Å; L146-Y507 HydrophobicContact CD1-CE2 4.21Å; N153-Y507 HydrophobicContact CB-CD2 3.97Å; N153-Y507 HydrophobicContact CB-CE2 4.42Å; T157-Y507 WeakPolarHBondContact CB-O 3.47Å; T157-Y507 PolarHBondContact OG1-N 2.86Å; T157-Y507 VanDerWaalsContact OG1-N 3.16Å; T157-Y507 PolarHBondContact OG1-O 2.95Å; T157-Y507 VanDerWaalsContact OG1-O 3.11Å; V411-Y507 HydrophobicContact CB-CD1 4.39Å; V411-Y507 HydrophobicContact CG2-CD1 3.84Å; V411-Y507 HydrophobicContact CG2-CE1 4.37Å; V411-Y507 HydrophobicContact CG2-CG 4.26Å; K502-Y507 HydrophobicContact CG-CE1 4.34Å; K502-Y507 VanDerWaalsContact CG-OH 3.31Å; K502-Y507 WeakPolarHBondContact CG-OH 3.44Å; K502-Y507 PolarHBondContact O-OH 3.22Å; G505-Y507 PolarHBondContact O-N 3.02Å
508E92.4Very high92.2Very high32 Ų3237 Ų3715%0.1518%0.179CC..EExtended strand (participates in β ladder)trans-122.5146.4167.9-67.5178.8-14700109.3T157 V411 V412 G414 T510 K513T157-E508 HydrophobicContact CG2-CG 4.2Å; V411-E508 CarbonylContact C-O 3.53Å; V411-E508 WeakPolarHBondContact CA-O 3.35Å; V412-E508 HydrophobicContact CG2-CB 4.25Å; V412-E508 WeakPolarHBondContact CG2-O 3.39Å; V412-E508 PolarHBondContact N-O 2.98Å; V412-E508 PolarHBondContact O-N 2.75Å; G414-E508 WeakPolarHBondContact CA-OE1 3.47Å; E508-T510 PolarHBondContact O-N 3.23Å; E508-K513 IonicContact OE1-NZ 3.87Å; E508-K513 PolarHBondContact OE1-NZ 3.06Å; E508-K513 WeakPolarHBondContact OE2-CE 3.5Å; E508-K513 IonicContact OE2-NZ 3.55Å; E508-K513 PolarHBondContact OE2-NZ 3.25Å
509P92.5Very high92.4Very high0 Ų038.3 Ų38.30%018%0.182CC..EExtended strand (participates in β ladder)trans-62.3135.3173.6-13.721.3000111.6V401 R404 V405 M511 V512V401-P509 HydrophobicContact CB-CG 4.48Å; V401-P509 HydrophobicContact CG1-CG 3.77Å; R404-P509 HydrophobicContact CB-CB 3.98Å; R404-P509 HydrophobicContact CB-CG 4.1Å; V405-P509 HydrophobicContact CG2-CB 4.22Å; V405-P509 HydrophobicContact CG2-CG 3.8Å; P509-M511 PolarHBondContact O-N 2.91Å; P509-M511 VanDerWaalsContact O-N 3.11Å; P509-V512 HydrophobicContact CB-CG2 3.91Å; P509-V512 HydrophobicContact CG-CG2 3.72Å; P509-V512 WeakPolarHBondContact O-CB 3.5Å; P509-V512 PolarHBondContact O-N 3.37Å
510T92.8Very high92.5Very high4 Ų432.8 Ų32.83%0.02516%0.161CC..Hα-helixtrans-55.8-33.9176.9-51.20000112.2I135 S410 V411 V412 E508 V512 K513 T514I135-T510 HydrophobicContact CG2-CG2 3.58Å; S410-T510 VanDerWaalsContact C-OG1 3.23Å; S410-T510 WeakPolarHBondContact CB-OG1 3.23Å; S410-T510 PolarHBondContact O-N 3.47Å; S410-T510 PolarHBondContact O-OG1 3.44Å; S410-T510 WeakPolarHBondContact OG-CB 3.35Å; S410-T510 PolarHBondContact OG-OG1 3.28Å; V411-T510 PolarHBondContact N-OG1 2.96Å; V412-T510 HydrophobicContact CG1-CG2 4.03Å; E508-T510 PolarHBondContact O-N 3.23Å; T510-V512 VanDerWaalsContact C-N 3.3Å; T510-V512 PolarHBondContact O-N 3.49Å; T510-K513 PolarHBondContact O-N 3.47Å; T510-T514 HydrophobicContact CG2-CG2 4.14Å; T510-T514 WeakPolarHBondContact O-CG2 3.47Å; T510-T514 PolarHBondContact O-N 2.98Å; T510-T514 PolarHBondContact O-OG1 3.39Å
511M91Very high92.7Very high38 Ų3831.3 Ų31.319%0.18715%0.154CC..Hα-helixtrans-62.3-33.8178.1-175.9170132.400113E88 V89 R404 P509 T514 K515E88-M511 VanDerWaalsContact O-CE 3.31Å; E88-M511 WeakPolarHBondContact O-CE 3.15Å; V89-M511 HydrophobicContact CG2-CE 4.11Å; R404-M511 HydrophobicContact CG-CE 4.38Å; R404-M511 VanDerWaalsContact CZ-CE 3.46Å; P509-M511 PolarHBondContact O-N 2.91Å; P509-M511 VanDerWaalsContact O-N 3.11Å; M511-T514 WeakPolarHBondContact CA-OG1 3.31Å; M511-T514 PolarHBondContact O-OG1 3.49Å; M511-K515 HydrophobicContact CE-CD 3.97Å; M511-K515 HydrophobicContact CG-CD 4.15Å; M511-K515 HydrophobicContact CG-CG 4.31Å; M511-K515 WeakPolarHBondContact O-CB 3.47Å; M511-K515 PolarHBondContact O-N 3.31Å; M511-K515 VanDerWaalsContact O-N 3.09Å
512V92.6Very high92.9Very high1 Ų135.7 Ų35.71%0.00617%0.174CC..Hα-helixtrans-61.3-59.1177.11780000108.7V89 D91 P509 T510 T514 K515 S516V89-V512 HydrophobicContact CG1-CB 4.04Å; V89-V512 HydrophobicContact CG1-CG1 4.37Å; V89-V512 HydrophobicContact CG1-CG2 3.36Å; D91-V512 HydrophobicContact CB-CG2 4.42Å; P509-V512 HydrophobicContact CB-CG2 3.91Å; P509-V512 HydrophobicContact CG-CG2 3.72Å; P509-V512 WeakPolarHBondContact O-CB 3.5Å; P509-V512 PolarHBondContact O-N 3.37Å; T510-V512 VanDerWaalsContact C-N 3.3Å; T510-V512 PolarHBondContact O-N 3.49Å; V512-T514 PolarHBondContact O-N 3.27Å; V512-K515 PolarHBondContact O-N 2.98Å; V512-S516 WeakPolarHBondContact O-CB 3.46Å; V512-S516 PolarHBondContact O-N 2.99Å; V512-S516 PolarHBondContact O-OG 3.23Å
513K93.3Very high93.2Very high12 Ų1232.3 Ų32.35%0.05216%0.161CC..Hα-helixtrans-58.5-46.4-178.2-66.2-57.3-166-162.10113.2I135 V412 V418 E419 E508 T510 S516 L517I135-K513 HydrophobicContact CD1-CB 4.47Å; V412-K513 HydrophobicContact CG2-CG 3.84Å; V418-K513 HydrophobicContact CG1-CG 4.41Å; E419-K513 WeakPolarHBondContact OE1-CE 3.44Å; E419-K513 IonicContact OE1-NZ 3.37Å; E419-K513 PolarHBondContact OE1-NZ 2.9Å; E419-K513 IonicContact OE2-NZ 2.76Å; E508-K513 IonicContact OE1-NZ 3.87Å; E508-K513 PolarHBondContact OE1-NZ 3.06Å; E508-K513 WeakPolarHBondContact OE2-CE 3.5Å; E508-K513 IonicContact OE2-NZ 3.55Å; E508-K513 PolarHBondContact OE2-NZ 3.25Å; T510-K513 PolarHBondContact O-N 3.47Å; K513-S516 PolarHBondContact O-N 3.43Å; K513-L517 WeakPolarHBondContact O-CG 3.23Å; K513-L517 PolarHBondContact O-N 3.43Å
514T94Very high93.5Very high18 Ų1824.9 Ų24.911%0.1113%0.126CC..Hα-helixtrans-66.6-38.8-176.952.90000112.8V132 I135 T510 M511 V512 K518V132-T514 HydrophobicContact CG1-CG2 4.24Å; I135-T514 HydrophobicContact CB-CG2 4.45Å; I135-T514 HydrophobicContact CD1-CG2 4.25Å; I135-T514 HydrophobicContact CG2-CG2 3.97Å; T510-T514 HydrophobicContact CG2-CG2 4.14Å; T510-T514 WeakPolarHBondContact O-CG2 3.47Å; T510-T514 PolarHBondContact O-N 2.98Å; T510-T514 PolarHBondContact O-OG1 3.39Å; M511-T514 WeakPolarHBondContact CA-OG1 3.31Å; M511-T514 PolarHBondContact O-OG1 3.49Å; V512-T514 PolarHBondContact O-N 3.27Å; T514-K518 VanDerWaalsContact O-CG 3.31Å; T514-K518 WeakPolarHBondContact O-CG 3.46Å; T514-K518 PolarHBondContact O-N 3.24Å
515K94.1Very high93.8Very high46 Ų4623.7 Ų23.720%0.212%0.116CC..Hα-helixtrans-74.2-42.3175-75.2-167.6178.6-175.30112E88 V89 M511 V512 L517 K518 F519E88-K515 IonicContact OE2-NZ 3.86Å; E88-K515 PolarHBondContact OE2-NZ 2.97Å; V89-K515 HydrophobicContact CG2-CB 4.14Å; V89-K515 HydrophobicContact CG2-CD 3.66Å; V89-K515 HydrophobicContact CG2-CG 4.47Å; M511-K515 HydrophobicContact CE-CD 3.97Å; M511-K515 HydrophobicContact CG-CD 4.15Å; M511-K515 HydrophobicContact CG-CG 4.31Å; M511-K515 WeakPolarHBondContact O-CB 3.47Å; M511-K515 PolarHBondContact O-N 3.31Å; M511-K515 VanDerWaalsContact O-N 3.09Å; V512-K515 PolarHBondContact O-N 2.98Å; K515-L517 VanDerWaalsContact C-N 3.32Å; K515-L517 PolarHBondContact O-N 3.48Å; K515-K518 PolarHBondContact O-N 2.92Å; K515-K518 VanDerWaalsContact O-N 3.13Å; K515-F519 HydrophobicContact CB-CD2 4.26Å; K515-F519 HydrophobicContact CB-CE2 3.92Å; K515-F519 HydrophobicContact CB-CZ 4.39Å; K515-F519 HydrophobicContact CD-CE2 4.22Å; K515-F519 HydrophobicContact CD-CZ 4.23Å; K515-F519 HydrophobicContact CG-CE2 4.49Å; K515-F519 WeakPolarHBondContact O-CD2 3.42Å; K515-F519 WeakPolarHBondContact O-CG 3.48Å; K515-F519 PolarHBondContact O-N 3.28Å
516S94.8Very high94Very high2 Ų226.5 Ų26.51%0.01413%0.132CC..Hα-helixtrans-56.3-45.1176.8-61.60000111.7Q85 V96 V512 K513 K518 F519 A520Q85-S516 PolarHBondContact NE2-OG 3.16Å; V96-S516 WeakPolarHBondContact CG2-O 3.36Å; V512-S516 WeakPolarHBondContact O-CB 3.46Å; V512-S516 PolarHBondContact O-N 2.99Å; V512-S516 PolarHBondContact O-OG 3.23Å; K513-S516 PolarHBondContact O-N 3.43Å; S516-K518 PolarHBondContact O-N 3.44Å; S516-F519 PolarHBondContact O-N 3.24Å; S516-A520 WeakPolarHBondContact O-CB 3.36Å; S516-A520 PolarHBondContact O-N 3.44Å
517L95.7Very high94.1Very high7 Ų724.6 Ų24.64%0.03712%0.12CC..Hα-helixtrans-62.7-43.5176.7-72173.9000112.5A131 I135 L422 L448 K513 K515 T521A131-L517 HydrophobicContact CB-CD1 4.34Å; I135-L517 HydrophobicContact CD1-CD1 3.69Å; L422-L517 HydrophobicContact CD1-CD1 3.8Å; L448-L517 HydrophobicContact CD2-CD2 3.6Å; K513-L517 WeakPolarHBondContact O-CG 3.23Å; K513-L517 PolarHBondContact O-N 3.43Å; K515-L517 VanDerWaalsContact C-N 3.32Å; K515-L517 PolarHBondContact O-N 3.48Å; L517-T521 VanDerWaalsContact O-CB 3.26Å; L517-T521 WeakPolarHBondContact O-CB 3.46Å; L517-T521 PolarHBondContact O-N 3.26Å; L517-T521 PolarHBondContact O-OG1 2.75Å
518K95.8Very high94Very high109 Ų10924.8 Ų24.847%0.47412%0.122SC..Hα-helixtrans-63.1-49178.6-73.7174-177.7-179.30111.6V132 T514 K515 S516 T521 E522V132-K518 HydrophobicContact CG2-CG 4.47Å; T514-K518 VanDerWaalsContact O-CG 3.31Å; T514-K518 WeakPolarHBondContact O-CG 3.46Å; T514-K518 PolarHBondContact O-N 3.24Å; K515-K518 PolarHBondContact O-N 2.92Å; K515-K518 VanDerWaalsContact O-N 3.13Å; S516-K518 PolarHBondContact O-N 3.44Å; K518-T521 PolarHBondContact O-N 3.49Å; K518-E522 WeakPolarHBondContact O-CB 3.34Å; K518-E522 PolarHBondContact O-N 2.66Å
519F95.9Very high93.9Very high59 Ų5932 Ų3226%0.25915%0.148SC..Hα-helixtrans-68.8-42.1-177.9-59.9-33.6000112L81 Q85 E88 V96 K515 S516 T521 E522 A523L81-F519 HydrophobicContact CD1-CB 3.41Å; L81-F519 VanDerWaalsContact CD1-CB 3.41Å; L81-F519 HydrophobicContact CD1-CG 4.48Å; L81-F519 WeakPolarHBondContact CD1-O 3.33Å; Q85-F519 VanDerWaalsContact OE1-CD2 3.27Å; E88-F519 HydrophobicContact CB-CE2 4.28Å; E88-F519 HydrophobicContact CB-CZ 4.44Å; E88-F519 HydrophobicContact CG-CZ 4.28Å; V96-F519 HydrophobicContact CG2-CB 4.21Å; K515-F519 HydrophobicContact CB-CD2 4.26Å; K515-F519 HydrophobicContact CB-CE2 3.92Å; K515-F519 HydrophobicContact CB-CZ 4.39Å; K515-F519 HydrophobicContact CD-CE2 4.22Å; K515-F519 HydrophobicContact CD-CZ 4.23Å; K515-F519 HydrophobicContact CG-CE2 4.49Å; K515-F519 WeakPolarHBondContact O-CD2 3.42Å; K515-F519 WeakPolarHBondContact O-CG 3.48Å; K515-F519 PolarHBondContact O-N 3.28Å; S516-F519 PolarHBondContact O-N 3.24Å; F519-T521 VanDerWaalsContact C-N 3.32Å; F519-T521 PolarHBondContact O-N 2.9Å; F519-E522 PolarHBondContact O-N 2.94Å; F519-A523 WeakPolarHBondContact O-CB 3.24Å; F519-A523 PolarHBondContact O-N 2.87Å
520A96.4Very high93.8Very high0 Ų034.4 Ų34.40%016%0.16CC..Hα-helixtrans-61.2-42.117500000112V96 I99 A100 S516 A524V96-A520 HydrophobicContact CG2-CB 3.93Å; I99-A520 HydrophobicContact CB-CB 4.11Å; I99-A520 HydrophobicContact CG2-CB 3.79Å; A100-A520 HydrophobicContact CB-CB 4.03Å; S516-A520 WeakPolarHBondContact O-CB 3.36Å; S516-A520 PolarHBondContact O-N 3.44Å; A520-A524 WeakPolarHBondContact O-CB 3.34Å; A520-A524 PolarHBondContact O-N 2.87Å
521T96.1Very high93.5Very high5 Ų538.8 Ų38.83%0.03118%0.184CC..Hα-helixtrans-63.6-44.9176.8-55.30000110.9C128 F444 L517 K518 F519 A524 I525C128-T521 HydrophobicContact CB-CG2 4.1Å; F444-T521 HydrophobicContact CE2-CG2 4.32Å; L517-T521 VanDerWaalsContact O-CB 3.26Å; L517-T521 WeakPolarHBondContact O-CB 3.46Å; L517-T521 PolarHBondContact O-N 3.26Å; L517-T521 PolarHBondContact O-OG1 2.75Å; K518-T521 PolarHBondContact O-N 3.49Å; F519-T521 VanDerWaalsContact C-N 3.32Å; F519-T521 PolarHBondContact O-N 2.9Å; T521-A524 PolarHBondContact O-N 3.3Å; T521-I525 HydrophobicContact CG2-CD1 3.79Å; T521-I525 HydrophobicContact CG2-CG1 4.45Å; T521-I525 WeakPolarHBondContact O-CB 3.39Å; T521-I525 WeakPolarHBondContact O-CD1 3.48Å; T521-I525 WeakPolarHBondContact O-CG1 3.45Å; T521-I525 PolarHBondContact O-N 2.98Å
522E95.4Very high93.3Very high95 Ų9539.3 Ų39.344%0.44419%0.187SC..Hα-helixtrans-68.1-38.1-179.4-167.463.8-170.400112.3K518 F519 I525 T526K518-E522 WeakPolarHBondContact O-CB 3.34Å; K518-E522 PolarHBondContact O-N 2.66Å; F519-E522 PolarHBondContact O-N 2.94Å; E522-I525 PolarHBondContact O-N 3.36Å; E522-T526 WeakPolarHBondContact O-CB 3.27Å; E522-T526 PolarHBondContact O-N 3.32Å; E522-T526 PolarHBondContact O-OG1 2.69Å
523A95Very high93Very high8 Ų841.4 Ų41.47%0.06620%0.198CC..Hα-helixtrans-63.2-44.7173.600000111.7V77 L81 A100 F519 I525 T526 I527V77-A523 HydrophobicContact CG1-CB 4.4Å; L81-A523 HydrophobicContact CD1-CB 4.17Å; L81-A523 HydrophobicContact CD2-CB 3.65Å; L81-A523 HydrophobicContact CG-CB 4.38Å; A100-A523 HydrophobicContact CB-CB 4.49Å; F519-A523 WeakPolarHBondContact O-CB 3.24Å; F519-A523 PolarHBondContact O-N 2.87Å; A523-I525 PolarHBondContact O-N 3.17Å; A523-T526 PolarHBondContact O-N 3.06Å; A523-I527 PolarHBondContact O-N 3.38Å; A523-I527 VanDerWaalsContact O-N 3.08Å
524A95Very high92.8Very high2 Ų245.1 Ų45.12%0.01722%0.218CC..Hα-helixtrans-61.5-43.3175.900000111.6L103 L104 A520 T521 T526 I527 L528L103-A524 HydrophobicContact CB-CB 3.93Å; L103-A524 HydrophobicContact CD1-CB 4.43Å; L104-A524 HydrophobicContact CD2-CB 4.14Å; L104-A524 WeakPolarHBondContact CD2-O 3.4Å; L104-A524 HydrophobicContact CG-CB 4.06Å; A520-A524 WeakPolarHBondContact O-CB 3.34Å; A520-A524 PolarHBondContact O-N 2.87Å; T521-A524 PolarHBondContact O-N 3.3Å; A524-T526 PolarHBondContact O-N 2.68Å; A524-I527 PolarHBondContact O-N 2.94Å; A524-L528 WeakPolarHBondContact O-CB 3.4Å; A524-L528 PolarHBondContact O-N 3.34Å
525I93.8Very high92.4Very high2 Ų251 Ų511%0.0124%0.242CC..Hα-helixtrans-62.7-43.1175.9-69.1166.8000111.1I121 R125 T521 E522 A523 I527 L528 R529I121-I525 HydrophobicContact CB-CG1 4.48Å; I121-I525 HydrophobicContact CD1-CG2 4.23Å; I121-I525 HydrophobicContact CG1-CG1 4.28Å; I121-I525 HydrophobicContact CG1-CG2 4.16Å; I121-I525 HydrophobicContact CG2-CB 4.48Å; I121-I525 HydrophobicContact CG2-CD1 4.07Å; I121-I525 HydrophobicContact CG2-CG1 3.97Å; I121-I525 HydrophobicContact CG2-CG2 3.72Å; R125-I525 HydrophobicContact CG-CD1 3.65Å; T521-I525 HydrophobicContact CG2-CD1 3.79Å; T521-I525 HydrophobicContact CG2-CG1 4.45Å; T521-I525 WeakPolarHBondContact O-CB 3.39Å; T521-I525 WeakPolarHBondContact O-CD1 3.48Å; T521-I525 WeakPolarHBondContact O-CG1 3.45Å; T521-I525 PolarHBondContact O-N 2.98Å; E522-I525 PolarHBondContact O-N 3.36Å; A523-I525 PolarHBondContact O-N 3.17Å; I525-I527 VanDerWaalsContact C-N 3.33Å; I525-I527 PolarHBondContact O-N 3.28Å; I525-L528 PolarHBondContact O-N 2.99Å; I525-R529 VanDerWaalsContact O-CG 3.29Å; I525-R529 WeakPolarHBondContact O-CG 3.48Å; I525-R529 PolarHBondContact O-N 3.1Å
526T93.4Very high92.1Very high65 Ų6554.2 Ų54.240%0.39926%0.26SS..Hα-helixtrans-59.8-45.5-179.2-600000111E522 A523 A524E522-T526 WeakPolarHBondContact O-CB 3.27Å; E522-T526 PolarHBondContact O-N 3.32Å; E522-T526 PolarHBondContact O-OG1 2.69Å; A523-T526 PolarHBondContact O-N 3.06Å; A524-T526 PolarHBondContact O-N 2.68Å
527I93.4Very high91.5Very high3 Ų359.6 Ų59.62%0.01528%0.284CS..Hα-helixtrans-73.7-38179.8-66.7162.9000111.6N24 A74 V77 L104 A523 A524 I525 R529 I530N24-I527 HydrophobicContact CB-CG2 3.79Å; A74-I527 HydrophobicContact CB-CD1 4.21Å; A74-I527 HydrophobicContact CB-CG1 4.32Å; A74-I527 HydrophobicContact CB-CG2 4.16Å; V77-I527 HydrophobicContact CB-CD1 4.21Å; V77-I527 HydrophobicContact CB-CG1 4.43Å; V77-I527 HydrophobicContact CG1-CD1 4.07Å; V77-I527 HydrophobicContact CG1-CG1 4.26Å; L104-I527 HydrophobicContact CD1-CB 4.23Å; L104-I527 HydrophobicContact CD1-CD1 3.71Å; L104-I527 HydrophobicContact CD1-CG2 4.1Å; L104-I527 HydrophobicContact CD2-CB 3.86Å; L104-I527 HydrophobicContact CD2-CG2 3.8Å; A523-I527 PolarHBondContact O-N 3.38Å; A523-I527 VanDerWaalsContact O-N 3.08Å; A524-I527 PolarHBondContact O-N 2.94Å; I525-I527 VanDerWaalsContact C-N 3.33Å; I525-I527 PolarHBondContact O-N 3.28Å; I527-R529 PolarHBondContact O-N 3.42Å; I527-I530 WeakPolarHBondContact O-CB 3.31Å; I527-I530 WeakPolarHBondContact O-CG1 3.04Å; I527-I530 PolarHBondContact O-N 3.48Å; I527-I530 VanDerWaalsContact O-N 3.09Å
528L90.9Very high90.8Very high13 Ų1364.5 Ų64.57%0.06832%0.316CS..Hα-helixtrans-66.4-22.7-178.9-172.862.7000113.3A107 V111 P117 V120 I121 A524 I525 I530A107-L528 HydrophobicContact CB-CD1 3.99Å; A107-L528 HydrophobicContact CB-CD2 3.85Å; V111-L528 HydrophobicContact CG2-CD1 4.28Å; P117-L528 HydrophobicContact CB-CG 4.23Å; V120-L528 HydrophobicContact CB-CD2 4.25Å; V120-L528 HydrophobicContact CG1-CD2 4.11Å; I121-L528 HydrophobicContact CD1-CD2 4.45Å; I121-L528 HydrophobicContact CG1-CD2 3.86Å; A524-L528 WeakPolarHBondContact O-CB 3.4Å; A524-L528 PolarHBondContact O-N 3.34Å; I525-L528 PolarHBondContact O-N 2.99Å; L528-I530 PolarHBondContact O-N 3.49Å
529R90.4Very high89.8Confident182 Ų18266.6 Ų66.669%0.68733%0.332SS*.THydrogen-bonded Turntrans-76.2-9.5175.2-72.1179.575-173.92.8113.9I121 I525 I527 D531I121-R529 HydrophobicContact CD1-CG 3.6Å; I525-R529 VanDerWaalsContact O-CG 3.29Å; I525-R529 WeakPolarHBondContact O-CG 3.48Å; I525-R529 PolarHBondContact O-N 3.1Å; I527-R529 PolarHBondContact O-N 3.42Å; R529-D531 PolarHBondContact O-N 3.31Å
530I89.9Confident88.2Confident51 Ų5172.4 Ų72.426%0.26236%0.36SS..  trans-82.6115.8179.4-54.9172.1000108.7V20 I527 L528V20-I530 HydrophobicContact CG1-CG2 4.03Å; I527-I530 WeakPolarHBondContact O-CB 3.31Å; I527-I530 WeakPolarHBondContact O-CG1 3.04Å; I527-I530 PolarHBondContact O-N 3.48Å; I527-I530 VanDerWaalsContact O-N 3.09Å; L528-I530 PolarHBondContact O-N 3.49Å
531D85.9Confident86.1Confident97 Ų9781.8 Ų81.852%0.51940%0.401SS..  trans-107.2-31.2174.961.7-21.6000113.1G17 R529G17-D531 PolarHBondContact N-O 2.78Å; R529-D531 PolarHBondContact O-N 3.31Å
532D87.7Confident83.8Confident49 Ų4990.9 Ų90.926%0.26244%0.443SS..EExtended strand (participates in β ladder)trans-120.6130.7178.4-81.85.1000112.2R14 T16R14-D532 IonicContact CZ-OD2 3.33Å; R14-D532 IonicContact NE-OD2 3.15Å; R14-D532 PolarHBondContact NE-OD2 3Å; R14-D532 VanDerWaalsContact NE-OD2 3.15Å; R14-D532 IonicContact NH2-OD2 2.69Å; R14-D532 PolarHBondContact NH2-OD2 3.39Å; T16-D532 WeakPolarHBondContact CA-OD1 3.11Å; T16-D532 WeakPolarHBondContact CB-OD1 3.11Å; T16-D532 WeakPolarHBondContact CG2-OD1 3.05Å
533L87.3Confident81.5Confident45 Ų4589.4 Ų89.424%0.23645%0.454CS..EExtended strand (participates in β ladder)trans-106.7116.4171.4-177.869.3000109R14 T15 V20 P73R14-L533 WeakPolarHBondContact CA-O 3.33Å; T15-L533 PolarHBondContact N-O 2.84Å; T15-L533 PolarHBondContact O-N 3.44Å; V20-L533 HydrophobicContact CG1-CB 3.84Å; V20-L533 HydrophobicContact CG2-CB 3.93Å; P73-L533 HydrophobicContact CG-CD1 4.4Å
534I88.9Confident79.6Confident90 Ų9091.6 Ų91.646%0.46248%0.477SS..EExtended strand (participates in β ladder)trans-117.3114.4179.6-58.2170.6000108.4V10 R14 L536V10-I534 HydrophobicContact CG1-CG2 3.78Å; R14-I534 HydrophobicContact CB-CG1 4.49Å; R14-I534 HydrophobicContact CG-CG1 4.05Å; I534-L536 HydrophobicContact CG2-CD2 4.08Å
535K84.9Confident77.5Confident141 Ų14195.5 Ų95.561%0.61350%0.502SS*.EExtended strand (participates in β ladder)trans-106.2109.1173.1-173.2175.1-176.4173.80108.5G12 T13G12-K535 CarbonylContact C-O 3.21Å; G12-K535 WeakPolarHBondContact CA-O 3.39Å; T13-K535 PolarHBondContact N-O 2.85Å; T13-K535 PolarHBondContact O-N 3.33Å
536L87.1Confident75.9Confident113 Ų11398 Ų9859%0.59252%0.519SS*.EExtended strand (participates in β ladder)trans-75.2141.2172-58.1179000109.1V10 I534V10-L536 HydrophobicContact CG1-CD2 3.35Å; I534-L536 HydrophobicContact CG2-CD2 4.08Å
537F83.1Confident74.4Confident115 Ų115102.9 Ų102.950%0.50453%0.532SS..PPolyproline II helixtrans-63.4140.3165-66.2-59.6000108.3F11 D539F11-F537 HydrophobicContact CD1-CB 4.12Å; F11-F537 AromaticContact CD1-CD2 3.99Å; F11-F537 HydrophobicContact CD1-CD2 3.99Å; F11-F537 HydrophobicContact CE1-CB 4.3Å; F11-F537 HydrophobicContact CE1-CD2 4.25Å; F11-F537 WeakPolarHBondContact O-CD2 3.03Å; F11-F537 PolarHBondContact O-N 2.69Å; F537-D539 PolarHBondContact O-N 3.15Å
538P79.9Confident72.7Confident111 Ų111110.3 Ų110.372%0.72157%0.566SS**PPolyproline II helixtrans-55135.4172.224.1-31.6000107.8Q540P538-Q540 PolarHBondContact O-N 2.86Å
539D74.7Confident71.3Confident152 Ų152114.1 Ų114.181%0.81359%0.587SS**PPolyproline II helixtrans-51.1119.8172.3-72.8-31000106.7F537 K541F537-D539 PolarHBondContact O-N 3.15Å; D539-K541 PolarHBondContact O-N 2.93Å
540Q62.4Low69.9Low182 Ų182106 Ų10685%0.8556%0.559SS**  trans-59.897.1159.4-77.3-176.2-11.300103.7P538 E542P538-Q540 PolarHBondContact O-N 2.86Å; Q540-E542 VanDerWaalsContact C-N 3.31Å; Q540-E542 PolarHBondContact O-N 2.79Å
541K52.5Low68.7Low197 Ų197107.2 Ų107.286%0.85757%0.568SS**  trans-51.3112.9160.2-74.4-176.4178.1179.10103.2D539 G543D539-K541 PolarHBondContact O-N 2.93Å; K541-G543 PolarHBondContact O-N 2.87Å
542E48.3Very low67.7Low195 Ų195106.9 Ų106.991%0.91158%0.579SS**  trans-6168.7162.2-72-178.7152.600106.8Q540 G544Q540-E542 VanDerWaalsContact C-N 3.31Å; Q540-E542 PolarHBondContact O-N 2.79Å; E542-G544 PolarHBondContact O-N 3Å
543G47.8Very low66.8Low65 Ų65107.6 Ų107.667%0.6759%0.588SS**  trans-64.997.4144.900000103.1K541K541-G543 PolarHBondContact O-N 2.87Å
544G54Low65.5Low53 Ų53107.9 Ų107.955%0.54660%0.602SS.*  trans-44.5151.8157.300000108.6E542 S546E542-G544 PolarHBondContact O-N 3Å; G544-S546 PolarHBondContact O-N 3.24Å
545P51.9Low64.1Low85 Ų85110.8 Ų110.855%0.55261%0.614SS**  trans-42.9131-176.918.3-31.1000109D549 A550P545-D549 HydrophobicContact CB-CB 3.8Å; P545-A550 HydrophobicContact CG-CB 4.49Å
546S60.6Low62.3Low53 Ų53109.2 Ų109.237%0.37161%0.61SS.*  trans-53.5152.1176.479.10000107.6G544 Q548 D549 A550G544-S546 PolarHBondContact O-N 3.24Å; S546-Q548 CarbonylContact O-C 3.59Å; S546-Q548 PolarHBondContact O-N 2.98Å; S546-D549 WeakPolarHBondContact CB-OD2 3.5Å; S546-D549 PolarHBondContact N-OD2 3.47Å; S546-D549 WeakPolarHBondContact O-CA 3.43Å; S546-D549 WeakPolarHBondContact O-CB 3.19Å; S546-D549 PolarHBondContact O-N 2.97Å; S546-D549 VanDerWaalsContact OG-CG 3.3Å; S546-D549 PolarHBondContact OG-N 3.17Å; S546-D549 PolarHBondContact OG-OD2 2.96Å; S546-A550 PolarHBondContact O-N 3.28Å
547Y59.9Low60.7Low168 Ų168111.8 Ų111.866%0.65962%0.624SS**Hα-helixtrans-50-32.1179.2-178.7-96.5000111.9V551 M556Y547-V551 HydrophobicContact CD1-CG2 4.24Å; Y547-V551 HydrophobicContact CE1-CG2 3.94Å; Y547-V551 WeakPolarHBondContact O-CG2 3.5Å; Y547-V551 PolarHBondContact O-N 2.77Å; Y547-V551 VanDerWaalsContact O-N 3.07Å; Y547-M556 HydrophobicContact CD2-CE 3.86Å; Y547-M556 HydrophobicContact CE2-CE 3.78Å
548Q57.6Low58.9Low159 Ų159113.1 Ų113.174%0.74367%0.67SS**Hα-helixtrans-67.4-38.2173.5-73178.1-22.200113.8S546 A552S546-Q548 CarbonylContact O-C 3.59Å; S546-Q548 PolarHBondContact O-N 2.98Å; Q548-A552 VanDerWaalsContact O-CB 3.31Å; Q548-A552 WeakPolarHBondContact O-CB 3.31Å; Q548-A552 PolarHBondContact O-N 3.07Å
549D63.6Low57.9Low94 Ų94113.2 Ų113.250%0.50367%0.667SS.*Hα-helixtrans-73.1-35.2176.2-58.3-50.1000111.9P545 S546 A552 S553P545-D549 HydrophobicContact CB-CB 3.8Å; S546-D549 WeakPolarHBondContact CB-OD2 3.5Å; S546-D549 PolarHBondContact N-OD2 3.47Å; S546-D549 WeakPolarHBondContact O-CA 3.43Å; S546-D549 WeakPolarHBondContact O-CB 3.19Å; S546-D549 PolarHBondContact O-N 2.97Å; S546-D549 VanDerWaalsContact OG-CG 3.3Å; S546-D549 PolarHBondContact OG-N 3.17Å; S546-D549 PolarHBondContact OG-OD2 2.96Å; D549-A552 PolarHBondContact O-N 3.38Å; D549-S553 VanDerWaalsContact O-CB 3.27Å; D549-S553 WeakPolarHBondContact O-CB 3.27Å; D549-S553 PolarHBondContact O-N 3.19Å; D549-S553 PolarHBondContact O-OG 3.08Å; D549-S553 VanDerWaalsContact O-OG 3.08Å
550A60.2Low57Low11 Ų11111.2 Ų111.29%0.09166%0.66CS.*Hα-helixtrans-67-39.317500000112P545 S546 S553 G554 Q555 M556P545-A550 HydrophobicContact CG-CB 4.49Å; S546-A550 PolarHBondContact O-N 3.28Å; A550-S553 PolarHBondContact O-OG 3.33Å; A550-G554 PolarHBondContact O-N 3.33Å; A550-Q555 PolarHBondContact O-N 3.47Å; A550-M556 HydrophobicContact CB-CE 4.28Å
551V64.9Low56.7Low76 Ų76107.2 Ų107.246%0.46165%0.649SS.*Hα-helixtrans-69.9-41.2174.3174.40000111.3Y547 S553 G554Y547-V551 HydrophobicContact CD1-CG2 4.24Å; Y547-V551 HydrophobicContact CE1-CG2 3.94Å; Y547-V551 WeakPolarHBondContact O-CG2 3.5Å; Y547-V551 PolarHBondContact O-N 2.77Å; Y547-V551 VanDerWaalsContact O-N 3.07Å; V551-S553 VanDerWaalsContact C-N 3.28Å; V551-S553 PolarHBondContact O-N 2.97Å; V551-G554 PolarHBondContact O-N 3.35Å
552A64.1Low56.9Low90 Ų90101.9 Ų101.974%0.74464%0.637SS**Hα-helixtrans-66.8-29.1177.300000113.1Q548 D549 G554Q548-A552 VanDerWaalsContact O-CB 3.31Å; Q548-A552 WeakPolarHBondContact O-CB 3.31Å; Q548-A552 PolarHBondContact O-N 3.07Å; D549-A552 PolarHBondContact O-N 3.38Å; A552-G554 VanDerWaalsContact C-N 3.33Å
553S68.3Low57.5Low65 Ų6596.1 Ų96.146%0.45562%0.62SS.*THydrogen-bonded Turntrans-83.5-3178.470.20000114.5D549 A550 V551 Q555D549-S553 VanDerWaalsContact O-CB 3.27Å; D549-S553 WeakPolarHBondContact O-CB 3.27Å; D549-S553 PolarHBondContact O-N 3.19Å; D549-S553 PolarHBondContact O-OG 3.08Å; D549-S553 VanDerWaalsContact O-OG 3.08Å; A550-S553 PolarHBondContact O-OG 3.33Å; V551-S553 VanDerWaalsContact C-N 3.28Å; V551-S553 PolarHBondContact O-N 2.97Å; S553-Q555 PolarHBondContact O-N 2.97Å
554G61.7Low58.1Low51 Ų5198.2 Ų98.253%0.52662%0.616SS.*THydrogen-bonded Turntrans68.318.5179.400000114.3A550 V551 A552A550-G554 PolarHBondContact O-N 3.33Å; V551-G554 PolarHBondContact O-N 3.35Å; A552-G554 VanDerWaalsContact C-N 3.33Å
555Q59.4Low58.4Low151 Ų151101.4 Ų101.471%0.70662%0.621SS**  trans-85.5-6-179-71.3-172.9-7.800114A550 S553A550-Q555 PolarHBondContact O-N 3.47Å; S553-Q555 PolarHBondContact O-N 2.97Å
556M47.3Very low58.9Low107 Ų107102.7 Ų102.753%0.52763%0.627SS.*  trans-130.7103.1168.6-72.8-155.1-81.900109.8Y547 A550Y547-M556 HydrophobicContact CD2-CE 3.86Å; Y547-M556 HydrophobicContact CE2-CE 3.78Å; A550-M556 HydrophobicContact CB-CE 4.28Å
557D52.1Low58.8Low168 Ų168106.8 Ų106.890%0.89865%0.648SS**  trans-82110160.6-81.7-31.3000107.8
558G46.5Very low58.7Low142 Ų142101.3 Ų101.3100%1.46465%0.647SS**  trans178.30178.200000113

Retrieved 558 of 558 residues in 1559.1 ms (Link to these results)

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