G4LUE8_SCHMA Loading...

Transmembrane gtpase mfn (Mitofusin 1) (Fzo homolog), putative

AlphaFold DB , UniProt , Accession G4LUE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 774 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
1M36.6Very low32.5Very low249 Ų249154 Ų154100%1.22783%0.826SS**  0131.90-84.4161.3105.600107.8
2S37.2Very low32.3Very low105 Ų105152.9 Ų152.973%0.73483%0.828SS**  trans77.187.5-175.2-143.10000117
3S34.5Very low31.9Very low116 Ų116160 Ų16081%0.81184%0.835SS**PPolyproline II helixtrans-77121.5162.720.60000109.9
4Y34.5Very low31.6Very low214 Ų214162.8 Ų162.884%0.83984%0.842SS**PPolyproline II helixtrans-86133.9167.7-79.8-87.2000109.9
5P41.2Very low31.3Very low107 Ų107165.3 Ų165.370%0.69584%0.844SS**PPolyproline II helixtrans-83.4136.7175.532.7-29.3000110.6N7P5-N7 PolarHBondContact O-N 3.38Å; P5-N7 VanDerWaalsContact O-N 3.08Å
6Y27.4Very low30.9Very low241 Ų241166.1 Ų166.195%0.94585%0.846SS**  trans-58.7101.6166-127.1-103000108.3
7N31.8Very low31.1Very low143 Ų143163.4 Ų163.477%0.76584%0.84SS**  trans-94126.6171.1-114.76000109.7P5 T9P5-N7 PolarHBondContact O-N 3.38Å; P5-N7 VanDerWaalsContact O-N 3.08Å; N7-T9 PolarHBondContact O-N 2.9Å
8S30Very low31Very low87 Ų87159.4 Ų159.461%0.60885%0.846SS**  trans-43.7120.1-179.547.70000114.8S10S8-S10 PolarHBondContact O-N 3.33Å
9T28.1Very low31.7Very low154 Ų154153.9 Ų153.995%0.94582%0.816SS**SBendtrans-68.276.9159.636.30000110.3N7N7-T9 PolarHBondContact O-N 2.9Å
10S28.7Very low32.4Very low92 Ų92158.5 Ų158.564%0.64382%0.822SS**  trans-142.911.8173.754.30000115.5S8S8-S10 PolarHBondContact O-N 3.33Å
11E28Very low33.6Very low186 Ų186159.8 Ų159.887%0.86982%0.816SS**SBendtrans-12214.1-178.8-80.1-171.4150.600115.7
12V29.2Very low34.9Very low141 Ų141152.3 Ų152.386%0.85578%0.778SS**SBendtrans-121.930.6-179-1670000113.2
13R27.7Very low36.6Very low245 Ų245155.1 Ų155.193%0.92578%0.784SS**  trans-109.812.3176.4-135176.9-176169.5-0.2115.9
14Q28Very low38.7Very low199 Ų199150.5 Ų150.593%0.9375%0.752SS**SBendtrans-103.227.5178.9-112.5-179.57.200114.7
15K25.9Very low41Very low201 Ų201141.9 Ų141.987%0.87472%0.719SS**  trans-125.233.7179.6-90.5-171.9177.3179.60115
16M25.6Very low43.1Very low178 Ų178140.9 Ų140.988%0.87771%0.713SS**  trans-13189.1166.8-82.6-175.4166.500110.1
17T33.5Very low46Very low120 Ų120130.7 Ų130.774%0.73667%0.674SS**  trans-171.876.8148.5310000107.2L19T17-L19 PolarHBondContact O-N 2.88Å
18G30.7Very low48.8Very low92 Ų92123.9 Ų123.995%0.94864%0.637SS**  trans-76.342.5175.300000113.5
19L44.1Very low51.6Low54 Ų54123.1 Ų123.128%0.28363%0.626SS.*  trans-87.9116.3166.6-92130.1000107.8T17 R21 Y196T17-L19 PolarHBondContact O-N 2.88Å; L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 3.44Å; L19-Y196 HydrophobicContact CD1-CD1 3.81Å; L19-Y196 HydrophobicContact CD1-CE1 3.4Å; L19-Y196 VanDerWaalsContact CD1-CE1 3.4Å; L19-Y196 HydrophobicContact CD2-CD1 4.44Å
20R45.9Very low54.6Low245 Ų245117.6 Ų117.693%0.92559%0.589SS**  trans-6093.9176.7-150.1-180-169.6-170.52.5107.9Q22R20-Q22 PolarHBondContact O-N 3.08Å
21R56.7Low57.6Low186 Ų186113.2 Ų113.270%0.70256%0.558SS**  trans-57.8106.1-170-152.5177-172.2178.3-1.2109.1L19 L23 R201L19-R21 VanDerWaalsContact C-N 3.31Å; L19-R21 PolarHBondContact O-N 3.44Å; R21-L23 PolarHBondContact O-N 2.82Å; R21-R201 VanDerWaalsContact CG-NH1 3.34Å
22Q63.6Low60.6Low93 Ų93107.3 Ų107.344%0.43553%0.53SS..PPolyproline II helixtrans-59.1131.6177-73.6-175.9-21.500109R20 R201R20-Q22 PolarHBondContact O-N 3.08Å; Q22-R201 PolarHBondContact O-NH2 3.1Å
23L73.5Confident63.6Low164 Ų164106 Ų10686%0.85952%0.515SS*.PPolyproline II helixtrans-66.3133.3176.3-79.9142.9000109R21R21-L23 PolarHBondContact O-N 2.82Å
24S78.5Confident66.7Low19 Ų1994.3 Ų94.313%0.13347%0.47CS..PPolyproline II helixtrans-74.7146.2174.6-55.70000109.5R201 E202S24-R201 PolarHBondContact OG-NH2 2.97Å; S24-E202 WeakPolarHBondContact CB-OE1 3.29Å; S24-E202 WeakPolarHBondContact OG-CG 2.93Å; S24-E202 PolarHBondContact OG-OE1 2.74Å
25H82.9Confident69.9Low32 Ų3286.3 Ų86.315%0.14843%0.433CS..PPolyproline II helixtrans-63.8139.1177.1-171.6-95.6000110.1H27 L28 N29 E371H25-H27 AromaticContact CE1-CD2 3.21Å; H25-H27 PolarHBondContact CE1-CD2 2.87Å; H25-H27 AromaticContact CE1-CG 3.74Å; H25-H27 WeakPolarHBondContact ND1-CB 3.47Å; H25-H27 AromaticContact ND1-CD2 3.61Å; H25-H27 AromaticContact ND1-CG 3.81Å; H25-H27 PolarHBondContact ND1-N 3.22Å; H25-H27 PolarHBondContact O-N 3.2Å; H25-H27 VanDerWaalsContact O-N 3.09Å; H25-L28 HydrophobicContact CB-CG 4.38Å; H25-L28 PolarHBondContact O-N 2.85Å; H25-N29 PolarHBondContact O-N 2.88Å; H25-E371 HydrophobicContact CB-CB 4.08Å; H25-E371 WeakPolarHBondContact CB-OE2 3.45Å; H25-E371 IonicContact CG-OE2 3.46Å
26P86.4Confident73.1Confident87 Ų8784.8 Ų84.857%0.56543%0.426SS*.Hα-helixtrans-56.2-32-175.619.8-32.2000112.6N29 K30P26-N29 WeakPolarHBondContact O-CB 3.24Å; P26-N29 PolarHBondContact O-N 2.92Å; P26-K30 PolarHBondContact O-N 3.31Å; P26-K30 VanDerWaalsContact O-N 3.15Å
27H87.2Confident76.4Confident27 Ų2779 Ų7913%0.12540%0.397CS..Hα-helixtrans-66.2-38.4177.7-70.3-113.8000114H25 N29 K30 F31 S375 E376 W770H25-H27 AromaticContact CE1-CD2 3.21Å; H25-H27 PolarHBondContact CE1-CD2 2.87Å; H25-H27 AromaticContact CE1-CG 3.74Å; H25-H27 WeakPolarHBondContact ND1-CB 3.47Å; H25-H27 AromaticContact ND1-CD2 3.61Å; H25-H27 AromaticContact ND1-CG 3.81Å; H25-H27 PolarHBondContact ND1-N 3.22Å; H25-H27 PolarHBondContact O-N 3.2Å; H25-H27 VanDerWaalsContact O-N 3.09Å; H27-N29 VanDerWaalsContact C-N 3.27Å; H27-N29 PolarHBondContact O-N 3.16Å; H27-K30 PolarHBondContact O-N 3.41Å; H27-F31 PolarHBondContact O-N 3.5Å; H27-S375 WeakPolarHBondContact O-CB 3.16Å; H27-S375 PolarHBondContact O-OG 3.46Å; H27-E376 IonicContact CE1-OE1 3.91Å; H27-E376 IonicContact ND1-OE1 3.04Å; H27-W770 VanDerWaalsContact CA-CZ3 3.46Å; H27-W770 HydrophobicContact CB-CE3 4.41Å; H27-W770 HydrophobicContact CB-CH2 3.63Å; H27-W770 HydrophobicContact CB-CZ2 4.36Å; H27-W770 HydrophobicContact CB-CZ3 3.65Å; H27-W770 AromaticContact CE1-CD2 3.13Å; H27-W770 AromaticContact CE1-CE2 3.74Å; H27-W770 AromaticContact CE1-CE3 3.16Å; H27-W770 AromaticContact CE1-CG 3.43Å; H27-W770 VanDerWaalsContact CE1-CG 3.43Å; H27-W770 AromaticContact CE1-CZ3 3.75Å; H27-W770 AromaticContact CG-CE3 3.64Å; H27-W770 AromaticContact CG-CH2 3.7Å; H27-W770 AromaticContact CG-CZ3 3.38Å; H27-W770 AromaticContact ND1-CD2 3.08Å; H27-W770 AromaticContact ND1-CE2 3.28Å; H27-W770 VanDerWaalsContact ND1-CE2 3.28Å; H27-W770 AromaticContact ND1-CE3 3Å; H27-W770 AromaticContact ND1-CG 3.84Å; H27-W770 AromaticContact ND1-CH2 3.31Å; H27-W770 VanDerWaalsContact ND1-CH2 3.31Å; H27-W770 WeakPolarHBondContact ND1-CH2 3.42Å; H27-W770 AromaticContact ND1-CZ2 3.42Å; H27-W770 WeakPolarHBondContact ND1-CZ2 3.47Å; H27-W770 AromaticContact ND1-CZ3 3.1Å; H27-W770 WeakPolarHBondContact ND1-CZ3 3.44Å; H27-W770 AromaticContact NE2-CE3 3.87Å; H27-W770 WeakPolarHBondContact O-CH2 3.35Å
28L90.6Very high79.4Confident0 Ų073.3 Ų73.30%036%0.362CS..Hα-helixtrans-65.6-36177.4-60-177.4000111.1H25 K30 F31 K32 M96 L199 E202 V204 E371 L374H25-L28 HydrophobicContact CB-CG 4.38Å; H25-L28 PolarHBondContact O-N 2.85Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 3.38Å; L28-F31 PolarHBondContact O-N 2.8Å; L28-K32 PolarHBondContact O-N 3.22Å; L28-M96 HydrophobicContact CB-CE 4.41Å; L28-M96 HydrophobicContact CD2-CE 3.84Å; L28-M96 HydrophobicContact CD2-SD 3.9Å; L28-L199 HydrophobicContact CD1-CD2 3.8Å; L28-E202 HydrophobicContact CB-CB 3.75Å; L28-E202 HydrophobicContact CB-CG 3.94Å; L28-E202 HydrophobicContact CD1-CB 4.18Å; L28-E202 HydrophobicContact CD1-CG 4.33Å; L28-V204 HydrophobicContact CD1-CG2 4.37Å; L28-V204 HydrophobicContact CD2-CG2 4.17Å; L28-E371 HydrophobicContact CD1-CB 4.37Å; L28-E371 HydrophobicContact CD1-CG 3.97Å; L28-E371 WeakPolarHBondContact CD1-OE2 3.34Å; L28-E371 HydrophobicContact CD2-CB 4.12Å; L28-E371 HydrophobicContact CD2-CG 4.33Å; L28-E371 HydrophobicContact CG-CB 4.14Å; L28-E371 HydrophobicContact CG-CG 4.28Å; L28-L374 HydrophobicContact CD2-CD2 4.44Å
29N89.6Confident82.5Confident70 Ų7070.7 Ų70.737%0.37433%0.331SS..Hα-helixtrans-63.2-39174.9-61.5-24.6000111.4H25 P26 H27 F31 K32 E33H25-N29 PolarHBondContact O-N 2.88Å; P26-N29 WeakPolarHBondContact O-CB 3.24Å; P26-N29 PolarHBondContact O-N 2.92Å; H27-N29 VanDerWaalsContact C-N 3.27Å; H27-N29 PolarHBondContact O-N 3.16Å; N29-F31 PolarHBondContact O-N 2.81Å; N29-K32 WeakPolarHBondContact O-CB 3.39Å; N29-K32 PolarHBondContact O-N 3.49Å; N29-E33 PolarHBondContact O-N 2.78Å
30K89.5Confident85Confident38 Ų3871 Ų7117%0.16534%0.338CS..Hα-helixtrans-66.4-33.3178.2-165.1179-179.2141.90112.6P26 H27 L28 K32 E33 A34 T764 F765 P769 W770P26-K30 PolarHBondContact O-N 3.31Å; P26-K30 VanDerWaalsContact O-N 3.15Å; H27-K30 PolarHBondContact O-N 3.41Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 3.38Å; K30-K32 VanDerWaalsContact C-N 3.34Å; K30-E33 PolarHBondContact O-N 3.25Å; K30-A34 WeakPolarHBondContact O-CB 3.19Å; K30-A34 PolarHBondContact O-N 2.8Å; K30-T764 VanDerWaalsContact CE-O 3.27Å; K30-T764 WeakPolarHBondContact CE-O 3.43Å; K30-T764 PolarHBondContact NZ-O 3.08Å; K30-T764 VanDerWaalsContact NZ-O 3.12Å; K30-F765 HydrophobicContact CD-CD1 4.29Å; K30-F765 HydrophobicContact CD-CE1 4.44Å; K30-F765 HydrophobicContact CG-CD1 3.84Å; K30-F765 HydrophobicContact CG-CE1 3.72Å; K30-P769 HydrophobicContact CD-CB 4.41Å; K30-W770 HydrophobicContact CB-CE3 4.43Å; K30-W770 HydrophobicContact CB-CH2 3.56Å; K30-W770 HydrophobicContact CB-CZ3 3.33Å; K30-W770 HydrophobicContact CD-CD2 4.18Å; K30-W770 HydrophobicContact CD-CE3 3.41Å; K30-W770 VanDerWaalsContact CD-CE3 3.41Å; K30-W770 HydrophobicContact CD-CH2 3.62Å; K30-W770 HydrophobicContact CD-CZ2 4.34Å; K30-W770 HydrophobicContact CD-CZ3 3.1Å; K30-W770 HydrophobicContact CG-CE3 4.47Å; K30-W770 HydrophobicContact CG-CH2 3.96Å; K30-W770 HydrophobicContact CG-CZ3 3.71Å; K30-W770 VanDerWaalsContact NZ-N 3.13Å
31F92.4Very high87.4Confident0 Ų059.6 Ų59.60%030%0.295CS..Hα-helixtrans-60.5-45.8171.7173.8-90.4000111.1H27 L28 N29 A34 K35 M96 D203 A378 F383H27-F31 PolarHBondContact O-N 3.5Å; L28-F31 PolarHBondContact O-N 2.8Å; N29-F31 PolarHBondContact O-N 2.81Å; F31-A34 WeakPolarHBondContact O-CB 3.1Å; F31-A34 PolarHBondContact O-N 2.85Å; F31-K35 HydrophobicContact CE1-CD 4.39Å; F31-K35 WeakPolarHBondContact O-CB 3.5Å; F31-K35 PolarHBondContact O-N 3.4Å; F31-M96 HydrophobicContact CB-CE 4.01Å; F31-M96 HydrophobicContact CB-SD 3.79Å; F31-M96 HydrophobicContact CD1-CE 3.62Å; F31-M96 HydrophobicContact CD1-CG 3.74Å; F31-M96 HydrophobicContact CD1-SD 3.91Å; F31-M96 HydrophobicContact CD2-CG 3.73Å; F31-M96 HydrophobicContact CD2-SD 4Å; F31-M96 HydrophobicContact CE1-CE 4.31Å; F31-M96 HydrophobicContact CE1-CG 3.75Å; F31-M96 HydrophobicContact CE2-CG 3.75Å; F31-M96 HydrophobicContact CG-CE 3.88Å; F31-M96 HydrophobicContact CG-CG 3.73Å; F31-M96 HydrophobicContact CG-SD 3.62Å; F31-M96 HydrophobicContact CZ-CG 3.76Å; F31-D203 HydrophobicContact CE1-CB 4.44Å; F31-A378 HydrophobicContact CD2-CB 3.89Å; F31-A378 HydrophobicContact CE2-CB 3.62Å; F31-F383 AromaticContact CD2-CE2 3.74Å; F31-F383 HydrophobicContact CD2-CE2 3.74Å; F31-F383 HydrophobicContact CD2-CZ 4.32Å; F31-F383 HydrophobicContact CE1-CZ 4.28Å; F31-F383 HydrophobicContact CE2-CD2 4.43Å; F31-F383 AromaticContact CE2-CE2 3.44Å; F31-F383 HydrophobicContact CE2-CE2 3.44Å; F31-F383 VanDerWaalsContact CE2-CE2 3.44Å; F31-F383 AromaticContact CE2-CZ 3.64Å; F31-F383 HydrophobicContact CE2-CZ 3.64Å; F31-F383 HydrophobicContact CG-CE2 4.42Å; F31-F383 AromaticContact CZ-CE2 3.91Å; F31-F383 HydrophobicContact CZ-CE2 3.91Å; F31-F383 AromaticContact CZ-CZ 3.62Å; F31-F383 HydrophobicContact CZ-CZ 3.62Å
32K90.6Very high89.3Confident63 Ų6350.7 Ų50.727%0.27426%0.262SS..Hα-helixtrans-65.6-39.1176.4-88.9-174.1165.2179.80113.4L28 N29 K30 K35 K36 R201 E202L28-K32 PolarHBondContact O-N 3.22Å; N29-K32 WeakPolarHBondContact O-CB 3.39Å; N29-K32 PolarHBondContact O-N 3.49Å; K30-K32 VanDerWaalsContact C-N 3.34Å; K32-K35 PolarHBondContact O-N 3.45Å; K32-K36 WeakPolarHBondContact O-CB 3.33Å; K32-K36 PolarHBondContact O-N 2.92Å; K32-R201 VanDerWaalsContact CE-O 3.28Å; K32-R201 WeakPolarHBondContact CE-O 3.28Å; K32-R201 PolarHBondContact NZ-O 3.35Å; K32-E202 WeakPolarHBondContact CD-OE2 3.43Å; K32-E202 VanDerWaalsContact CE-CA 3.5Å; K32-E202 WeakPolarHBondContact CE-OE2 3.48Å; K32-E202 IonicContact NZ-OE2 3.5Å; K32-E202 PolarHBondContact NZ-OE2 3.12Å
33E92.3Very high90.9Very high113 Ų11352.2 Ų52.253%0.52827%0.269SS..Hα-helixtrans-60.1-48.4173.8-171.1176.2-167.900110.1N29 K30 K35 K36 E37 F765N29-E33 PolarHBondContact O-N 2.78Å; K30-E33 PolarHBondContact O-N 3.25Å; E33-K35 PolarHBondContact O-N 2.88Å; E33-K36 PolarHBondContact O-N 3.33Å; E33-E37 WeakPolarHBondContact O-CB 3.42Å; E33-E37 PolarHBondContact O-N 2.85Å; E33-F765 HydrophobicContact CB-CE1 4.35Å; E33-F765 HydrophobicContact CG-CE1 4.27Å; E33-F765 HydrophobicContact CG-CZ 4.07Å
34A93.3Very high92.1Very high0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-57.9-46.217500000111.8K30 F31 K36 E37 L38 T379 F383 F761 F765K30-A34 WeakPolarHBondContact O-CB 3.19Å; K30-A34 PolarHBondContact O-N 2.8Å; F31-A34 WeakPolarHBondContact O-CB 3.1Å; F31-A34 PolarHBondContact O-N 2.85Å; A34-K36 PolarHBondContact O-N 2.84Å; A34-E37 PolarHBondContact O-N 2.94Å; A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.28Å; A34-L38 PolarHBondContact O-N 3.46Å; A34-T379 HydrophobicContact CB-CG2 4.17Å; A34-F383 HydrophobicContact CB-CD2 4.04Å; A34-F383 HydrophobicContact CB-CE2 4.06Å; A34-F761 HydrophobicContact CB-CE2 4.18Å; A34-F761 HydrophobicContact CB-CZ 4.23Å; A34-F761 WeakPolarHBondContact O-CE2 2.77Å; A34-F765 HydrophobicContact CB-CB 4.19Å; A34-F765 HydrophobicContact CB-CD1 3.49Å; A34-F765 VanDerWaalsContact CB-CD1 3.49Å; A34-F765 HydrophobicContact CB-CD2 4.37Å; A34-F765 HydrophobicContact CB-CE1 3.87Å; A34-F765 HydrophobicContact CB-CG 3.77Å; A34-F765 HydrophobicContact CB-CZ 4.47Å
35K94.5Very high93Very high31 Ų3147.2 Ų47.214%0.13524%0.241CC..Hα-helixtrans-58.3-46.7176.6-176176.8171178.90111.5F31 K32 E33 A39 A92 N94 D203 F383F31-K35 HydrophobicContact CE1-CD 4.39Å; F31-K35 WeakPolarHBondContact O-CB 3.5Å; F31-K35 PolarHBondContact O-N 3.4Å; K32-K35 PolarHBondContact O-N 3.45Å; E33-K35 PolarHBondContact O-N 2.88Å; K35-A39 VanDerWaalsContact O-CB 3.25Å; K35-A39 WeakPolarHBondContact O-CB 3.32Å; K35-A39 PolarHBondContact O-N 3.45Å; K35-A92 WeakPolarHBondContact CE-O 3.46Å; K35-A92 PolarHBondContact NZ-O 2.83Å; K35-N94 VanDerWaalsContact CE-O 3.29Å; K35-N94 WeakPolarHBondContact CE-O 3.41Å; K35-N94 PolarHBondContact NZ-O 3.24Å; K35-D203 IonicContact NZ-OD2 3.55Å; K35-D203 PolarHBondContact NZ-OD2 3.25Å; K35-F383 HydrophobicContact CB-CE1 4.34Å; K35-F383 HydrophobicContact CB-CE2 4.24Å; K35-F383 HydrophobicContact CB-CZ 3.63Å; K35-F383 HydrophobicContact CG-CE1 4.42Å; K35-F383 HydrophobicContact CG-CZ 4.07Å
36K94.4Very high93.6Very high168 Ų16847.5 Ų47.573%0.7324%0.244SC*.Hα-helixtrans-67.9-44.6-178.9-172.4-176.6178.3-173.70111.7K32 E33 A34 A39 S40K32-K36 WeakPolarHBondContact O-CB 3.33Å; K32-K36 PolarHBondContact O-N 2.92Å; E33-K36 PolarHBondContact O-N 3.33Å; A34-K36 PolarHBondContact O-N 2.84Å; K36-A39 PolarHBondContact O-N 2.91Å; K36-S40 PolarHBondContact O-N 2.89Å
37E95.2Very high94.2Very high58 Ų5846.1 Ų46.127%0.27124%0.236SC..Hα-helixtrans-64.9-47.2178.8-171.5169.4156.900110.7E33 A34 A39 S40 I41 F761 F765E33-E37 WeakPolarHBondContact O-CB 3.42Å; E33-E37 PolarHBondContact O-N 2.85Å; A34-E37 PolarHBondContact O-N 2.94Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 3.46Å; E37-S40 WeakPolarHBondContact O-CB 3.21Å; E37-S40 PolarHBondContact O-N 2.93Å; E37-S40 VanDerWaalsContact O-N 3.15Å; E37-I41 HydrophobicContact CG-CD1 4.11Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.44Å; E37-I41 PolarHBondContact O-N 3.44Å; E37-F761 HydrophobicContact CB-CD2 4.39Å; E37-F761 HydrophobicContact CB-CE2 4.43Å; E37-F761 HydrophobicContact CG-CD2 4.21Å; E37-F765 VanDerWaalsContact OE2-CE2 3.23Å; E37-F765 WeakPolarHBondContact OE2-CE2 2.86Å; E37-F765 WeakPolarHBondContact OE2-CZ 3.2Å
38L95.5Very high94.7Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-62.8-39.7177.1-168.264000112.2A34 S40 I41 Y42 I91 F383 H386 F761A34-L38 VanDerWaalsContact O-CB 3.27Å; A34-L38 WeakPolarHBondContact O-CB 3.28Å; A34-L38 PolarHBondContact O-N 3.46Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 2.86Å; L38-I41 PolarHBondContact O-N 2.82Å; L38-Y42 HydrophobicContact CD1-CD2 3.95Å; L38-Y42 HydrophobicContact CD1-CE2 3.88Å; L38-Y42 HydrophobicContact CG-CD2 3.96Å; L38-Y42 HydrophobicContact CG-CE2 4.11Å; L38-Y42 WeakPolarHBondContact O-CD2 3.48Å; L38-Y42 PolarHBondContact O-N 3.32Å; L38-I91 HydrophobicContact CD2-CD1 3.82Å; L38-I91 HydrophobicContact CD2-CG1 4.15Å; L38-I91 HydrophobicContact CD2-CG2 4.42Å; L38-I91 HydrophobicContact CG-CD1 3.96Å; L38-F383 HydrophobicContact CD2-CB 3.86Å; L38-F383 HydrophobicContact CD2-CD1 3.72Å; L38-F383 HydrophobicContact CD2-CG 4.03Å; L38-H386 HydrophobicContact CD2-CB 4.34Å; L38-F761 HydrophobicContact CB-CD2 4.45Å; L38-F761 HydrophobicContact CB-CE1 4.48Å; L38-F761 HydrophobicContact CB-CE2 3.74Å; L38-F761 HydrophobicContact CB-CZ 3.76Å; L38-F761 HydrophobicContact CD1-CD1 4.1Å; L38-F761 HydrophobicContact CD1-CE1 3.92Å; L38-F761 HydrophobicContact CD1-CE2 4.34Å; L38-F761 HydrophobicContact CD1-CG 4.41Å; L38-F761 HydrophobicContact CD1-CZ 4.05Å; L38-F761 HydrophobicContact CD2-CE1 4.33Å; L38-F761 HydrophobicContact CD2-CZ 4.15Å; L38-F761 HydrophobicContact CG-CE1 4.47Å; L38-F761 HydrophobicContact CG-CZ 4.2Å
39A96Very high95Very high37 Ų3744.8 Ų44.831%0.30623%0.23SC..Hα-helixtrans-60.1-42.5174.800000111.9K35 K36 E37 Y42 E43 I91K35-A39 VanDerWaalsContact O-CB 3.25Å; K35-A39 WeakPolarHBondContact O-CB 3.32Å; K35-A39 PolarHBondContact O-N 3.45Å; K36-A39 PolarHBondContact O-N 2.91Å; E37-A39 VanDerWaalsContact C-N 3.33Å; E37-A39 PolarHBondContact O-N 3.46Å; A39-Y42 PolarHBondContact O-N 2.89Å; A39-E43 PolarHBondContact O-N 2.98Å; A39-I91 HydrophobicContact CB-CG2 4.31Å
40S96.6Very high95.4Very high60 Ų6044 Ų4442%0.4223%0.23SC..Hα-helixtrans-63.2-43.8174.3-171.10000111.8K36 E37 L38 Y42 E43 D44K36-S40 PolarHBondContact O-N 2.89Å; E37-S40 WeakPolarHBondContact O-CB 3.21Å; E37-S40 PolarHBondContact O-N 2.93Å; E37-S40 VanDerWaalsContact O-N 3.15Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 2.86Å; S40-Y42 VanDerWaalsContact C-N 3.28Å; S40-Y42 PolarHBondContact O-N 2.86Å; S40-E43 WeakPolarHBondContact O-CB 3.22Å; S40-E43 PolarHBondContact O-N 3.34Å; S40-D44 PolarHBondContact O-N 3.45Å; S40-D44 VanDerWaalsContact O-N 3.09Å
41I96.8Very high95.7Very high5 Ų544.9 Ų44.93%0.02623%0.234CC..Hα-helixtrans-59.9-42.5176.6-66.5168.1000110.3E37 L38 E43 D44 I45 V757 L758 F761E37-I41 HydrophobicContact CG-CD1 4.11Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.44Å; E37-I41 PolarHBondContact O-N 3.44Å; L38-I41 PolarHBondContact O-N 2.82Å; I41-E43 VanDerWaalsContact C-N 3.33Å; I41-E43 PolarHBondContact O-N 3.21Å; I41-D44 PolarHBondContact O-N 3.42Å; I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 HydrophobicContact CG2-CG1 4.29Å; I41-I45 VanDerWaalsContact O-CG1 3.27Å; I41-I45 WeakPolarHBondContact O-CG1 3.38Å; I41-I45 PolarHBondContact O-N 3.42Å; I41-V757 HydrophobicContact CD1-CG1 3.69Å; I41-V757 HydrophobicContact CG1-CG1 3.61Å; I41-L758 HydrophobicContact CG2-CD2 3.69Å; I41-L758 HydrophobicContact CG2-CG 3.94Å; I41-F761 HydrophobicContact CD1-CB 3.85Å; I41-F761 HydrophobicContact CD1-CD2 4.03Å; I41-F761 HydrophobicContact CD1-CG 4.11Å
42Y97Very high95.9Very high0 Ų044.9 Ų44.90%023%0.234CC..Hα-helixtrans-68-30.1178.1-95.9-97.5000113.4L38 A39 S40 L46 I84 I87 I91 H386 G390L38-Y42 HydrophobicContact CD1-CD2 3.95Å; L38-Y42 HydrophobicContact CD1-CE2 3.88Å; L38-Y42 HydrophobicContact CG-CD2 3.96Å; L38-Y42 HydrophobicContact CG-CE2 4.11Å; L38-Y42 WeakPolarHBondContact O-CD2 3.48Å; L38-Y42 PolarHBondContact O-N 3.32Å; A39-Y42 PolarHBondContact O-N 2.89Å; S40-Y42 VanDerWaalsContact C-N 3.28Å; S40-Y42 PolarHBondContact O-N 2.86Å; Y42-L46 VanDerWaalsContact O-CB 3.24Å; Y42-L46 WeakPolarHBondContact O-CB 3.49Å; Y42-L46 PolarHBondContact O-N 2.97Å; Y42-I84 HydrophobicContact CD1-CD1 4.41Å; Y42-I84 HydrophobicContact CD1-CG2 4.04Å; Y42-I84 HydrophobicContact CE1-CD1 3.84Å; Y42-I84 HydrophobicContact CE1-CG2 4.46Å; Y42-I87 HydrophobicContact CD1-CB 4.37Å; Y42-I87 HydrophobicContact CD1-CG2 4.12Å; Y42-I87 HydrophobicContact CE1-CB 3.66Å; Y42-I87 HydrophobicContact CE1-CD1 4.23Å; Y42-I87 HydrophobicContact CE1-CG2 3.34Å; Y42-I87 HydrophobicContact CE2-CG2 4.35Å; Y42-I87 VanDerWaalsContact CZ-CG2 3.46Å; Y42-I87 WeakPolarHBondContact OH-CG2 3.12Å; Y42-I91 HydrophobicContact CD1-CD1 4.14Å; Y42-I91 HydrophobicContact CD2-CD1 3.44Å; Y42-I91 VanDerWaalsContact CD2-CD1 3.44Å; Y42-I91 HydrophobicContact CE1-CD1 4.27Å; Y42-I91 HydrophobicContact CE2-CD1 3.55Å; Y42-I91 HydrophobicContact CG-CD1 3.74Å; Y42-H386 HydrophobicContact CE2-CB 4.48Å; Y42-H386 PolarHBondContact OH-O 2.73Å; Y42-G390 PolarHBondContact OH-N 3.47Å
43E97.1Very high96.2Very high125 Ų12542.9 Ų42.958%0.58423%0.226SC*.Hα-helixtrans-64.8-42.9170.5-171.2172.5-171.300111.2A39 S40 I41 L46 S47A39-E43 PolarHBondContact O-N 2.98Å; S40-E43 WeakPolarHBondContact O-CB 3.22Å; S40-E43 PolarHBondContact O-N 3.34Å; I41-E43 VanDerWaalsContact C-N 3.33Å; I41-E43 PolarHBondContact O-N 3.21Å; E43-L46 PolarHBondContact O-N 3.16Å; E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 3.32Å
44D97Very high96.3Very high78 Ų7843 Ų4342%0.41723%0.225SC..Hα-helixtrans-67.3-40.1176-72.1-31.1000112.6S40 I41 S47 Y48 L754S40-D44 PolarHBondContact O-N 3.45Å; S40-D44 VanDerWaalsContact O-N 3.09Å; I41-D44 PolarHBondContact O-N 3.42Å; D44-S47 PolarHBondContact O-N 3.45Å; D44-Y48 WeakPolarHBondContact O-CB 3.47Å; D44-Y48 PolarHBondContact O-N 2.5Å; D44-L754 HydrophobicContact CB-CD2 3.77Å
45I97.6Very high96.4Very high0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-62.8-45.2173.6-66.3168.2000109.8I41 S47 Y48 V49 I84 V394 L754 L758I41-I45 HydrophobicContact CG2-CD1 3.79Å; I41-I45 HydrophobicContact CG2-CG1 4.29Å; I41-I45 VanDerWaalsContact O-CG1 3.27Å; I41-I45 WeakPolarHBondContact O-CG1 3.38Å; I41-I45 PolarHBondContact O-N 3.42Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 2.79Å; I45-Y48 PolarHBondContact O-N 2.87Å; I45-V49 HydrophobicContact CG2-CG2 4.02Å; I45-V49 VanDerWaalsContact O-CG2 3.31Å; I45-V49 WeakPolarHBondContact O-CG2 3.49Å; I45-V49 PolarHBondContact O-N 3.28Å; I45-I84 HydrophobicContact CG2-CD1 3.74Å; I45-I84 HydrophobicContact CG2-CG1 3.93Å; I45-I84 HydrophobicContact CG2-CG2 4.14Å; I45-V394 HydrophobicContact CD1-CG2 4.09Å; I45-V394 HydrophobicContact CG1-CG2 3.87Å; I45-V394 HydrophobicContact CG2-CG2 4.05Å; I45-L754 HydrophobicContact CG1-CD1 4.23Å; I45-L754 HydrophobicContact CG1-CD2 4.22Å; I45-L758 HydrophobicContact CD1-CD1 3.94Å; I45-L758 HydrophobicContact CD1-CD2 4.35Å; I45-L758 HydrophobicContact CD1-CG 4.42Å
46L97.1Very high96.4Very high38 Ų3842.1 Ų42.120%0.19922%0.221CC..Hα-helixtrans-59.4-44.8177.6-179.967.1000111Y42 E43 S50 L81 I84 R85Y42-L46 VanDerWaalsContact O-CB 3.24Å; Y42-L46 WeakPolarHBondContact O-CB 3.49Å; Y42-L46 PolarHBondContact O-N 2.97Å; E43-L46 PolarHBondContact O-N 3.16Å; L46-S50 WeakPolarHBondContact O-CB 3.18Å; L46-S50 PolarHBondContact O-N 3.41Å; L46-L81 HydrophobicContact CD1-CD1 3.64Å; L46-I84 HydrophobicContact CB-CG2 3.98Å; L46-I84 HydrophobicContact CD1-CG2 4.13Å; L46-R85 HydrophobicContact CD1-CG 3.73Å
47S97.5Very high96.3Very high57 Ų5739.6 Ų39.640%0.39921%0.207SC..Hα-helixtrans-59.2-46.1175177.80000111.7E43 D44 I45 S50 E51 R750E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 3.32Å; D44-S47 PolarHBondContact O-N 3.45Å; I45-S47 VanDerWaalsContact C-N 3.31Å; I45-S47 PolarHBondContact O-N 2.79Å; S47-S50 PolarHBondContact O-N 2.86Å; S47-E51 WeakPolarHBondContact O-CB 3.25Å; S47-E51 PolarHBondContact O-N 3.11Å; S47-R750 VanDerWaalsContact CB-NH2 3.33Å; S47-R750 PolarHBondContact OG-NH2 3.03Å
48Y97.8Very high96.2Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-63.7-48178.1163.4-115.5000113.2D44 I45 S50 E51 S52 V397 R398 L747 R750 A751 L754D44-Y48 WeakPolarHBondContact O-CB 3.47Å; D44-Y48 PolarHBondContact O-N 2.5Å; I45-Y48 PolarHBondContact O-N 2.87Å; Y48-S50 VanDerWaalsContact C-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.32Å; Y48-E51 PolarHBondContact O-N 2.99Å; Y48-S52 VanDerWaalsContact CE2-OG 3.31Å; Y48-S52 WeakPolarHBondContact CE2-OG 3.48Å; Y48-S52 WeakPolarHBondContact O-CB 3.24Å; Y48-S52 PolarHBondContact O-N 2.84Å; Y48-S52 PolarHBondContact O-OG 3.39Å; Y48-V397 HydrophobicContact CE1-CB 3.98Å; Y48-V397 HydrophobicContact CE1-CG1 3.91Å; Y48-V397 VanDerWaalsContact OH-CG1 3.27Å; Y48-V397 WeakPolarHBondContact OH-CG1 3.38Å; Y48-R398 PolarHBondContact OH-N 3.37Å; Y48-L747 HydrophobicContact CD2-CD2 4.14Å; Y48-L747 HydrophobicContact CE2-CB 4.16Å; Y48-L747 HydrophobicContact CE2-CD2 4.12Å; Y48-L747 WeakPolarHBondContact CE2-O 3.41Å; Y48-R750 HydrophobicContact CD2-CB 4.18Å; Y48-R750 HydrophobicContact CD2-CG 4.06Å; Y48-R750 HydrophobicContact CE2-CB 4.49Å; Y48-A751 HydrophobicContact CE1-CB 4.03Å; Y48-A751 HydrophobicContact CE2-CB 4.26Å; Y48-A751 WeakPolarHBondContact OH-CB 3.38Å; Y48-L754 HydrophobicContact CD1-CD1 3.66Å; Y48-L754 HydrophobicContact CG-CD1 3.7Å
49V97.2Very high95.9Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-68.1-34.5-179.6-179.80000110.4I45 S52 H53 V77 H80 L81 V393 V397I45-V49 HydrophobicContact CG2-CG2 4.02Å; I45-V49 VanDerWaalsContact O-CG2 3.31Å; I45-V49 WeakPolarHBondContact O-CG2 3.49Å; I45-V49 PolarHBondContact O-N 3.28Å; V49-S52 WeakPolarHBondContact O-CB 3.31Å; V49-S52 PolarHBondContact O-N 3.38Å; V49-H53 VanDerWaalsContact O-CB 3.31Å; V49-H53 WeakPolarHBondContact O-CB 3.45Å; V49-H53 PolarHBondContact O-N 3.32Å; V49-V77 HydrophobicContact CG1-CG1 4.17Å; V49-H80 HydrophobicContact CG1-CB 4.44Å; V49-L81 HydrophobicContact CB-CD1 4.2Å; V49-L81 HydrophobicContact CG1-CB 3.88Å; V49-L81 HydrophobicContact CG1-CD1 3.98Å; V49-V393 HydrophobicContact CG2-CG1 4.23Å; V49-V397 HydrophobicContact CG2-CG2 4.39Å
50S97.3Very high95.5Very high53 Ų5340.7 Ų40.737%0.37121%0.211SC..Hα-helixtrans-65.4-44.8174.1-174.60000112.4L46 S47 Y48 S52 H53 K54L46-S50 WeakPolarHBondContact O-CB 3.18Å; L46-S50 PolarHBondContact O-N 3.41Å; S47-S50 PolarHBondContact O-N 2.86Å; Y48-S50 VanDerWaalsContact C-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.32Å; S50-S52 VanDerWaalsContact C-N 3.32Å; S50-S52 PolarHBondContact O-N 3.05Å; S50-H53 PolarHBondContact O-N 2.86Å; S50-K54 PolarHBondContact O-N 2.77Å
51E96.9Very high94.9Very high56 Ų5645 Ų4526%0.26223%0.225SC..Hα-helixtrans-62.2-42.1174.5-166.3-178.2-173.900111S47 Y48 K54 F55 K746 L747 R750S47-E51 WeakPolarHBondContact O-CB 3.25Å; S47-E51 PolarHBondContact O-N 3.11Å; Y48-E51 PolarHBondContact O-N 2.99Å; E51-K54 PolarHBondContact O-N 3.43Å; E51-F55 WeakPolarHBondContact O-CB 3.41Å; E51-F55 PolarHBondContact O-N 2.86Å; E51-K746 IonicContact OE1-NZ 3.66Å; E51-K746 PolarHBondContact OE1-NZ 3.02Å; E51-L747 HydrophobicContact CB-CD2 4.12Å; E51-L747 HydrophobicContact CG-CD2 3.89Å; E51-R750 IonicContact OE2-CZ 2.86Å; E51-R750 IonicContact OE2-NH1 2.8Å; E51-R750 PolarHBondContact OE2-NH1 3.4Å
52S96.8Very high94.2Very high0 Ų049.4 Ų49.40%025%0.245CC..Hα-helixtrans-62.1-42.5175.5-63.20000112.8Y48 V49 S50 F55 T56 M401Y48-S52 VanDerWaalsContact CE2-OG 3.31Å; Y48-S52 WeakPolarHBondContact CE2-OG 3.48Å; Y48-S52 WeakPolarHBondContact O-CB 3.24Å; Y48-S52 PolarHBondContact O-N 2.84Å; Y48-S52 PolarHBondContact O-OG 3.39Å; V49-S52 WeakPolarHBondContact O-CB 3.31Å; V49-S52 PolarHBondContact O-N 3.38Å; S50-S52 VanDerWaalsContact C-N 3.32Å; S50-S52 PolarHBondContact O-N 3.05Å; S52-F55 PolarHBondContact O-N 2.91Å; S52-T56 WeakPolarHBondContact O-CG2 3.16Å; S52-T56 PolarHBondContact O-N 3.33Å; S52-T56 PolarHBondContact O-OG1 3.27Å; S52-M401 VanDerWaalsContact CB-CE 3.46Å
53H95.9Very high93.6Very high22 Ų2255.7 Ų55.710%0.10228%0.279CS..Hα-helixtrans-64.5-46.9176.4176.4-115.4000111.1V49 S50 F55 T56 R57 H74 V77 E78 L81V49-H53 VanDerWaalsContact O-CB 3.31Å; V49-H53 WeakPolarHBondContact O-CB 3.45Å; V49-H53 PolarHBondContact O-N 3.32Å; S50-H53 PolarHBondContact O-N 2.86Å; H53-F55 VanDerWaalsContact C-N 3.35Å; H53-F55 PolarHBondContact O-N 2.85Å; H53-T56 PolarHBondContact O-N 3.41Å; H53-T56 PolarHBondContact O-OG1 3.05Å; H53-R57 WeakPolarHBondContact O-CB 3.37Å; H53-R57 PolarHBondContact O-N 3.06Å; H53-H74 AromaticContact CD2-CD2 3.58Å; H53-H74 AromaticContact CD2-NE2 3.63Å; H53-H74 AromaticContact CE1-NE2 3.7Å; H53-H74 AromaticContact NE2-CD2 3.4Å; H53-H74 PolarHBondContact NE2-CD2 3.28Å; H53-H74 AromaticContact NE2-CE1 3.58Å; H53-H74 AromaticContact NE2-NE2 2.91Å; H53-H74 PolarHBondContact NE2-NE2 3.42Å; H53-V77 HydrophobicContact CB-CG1 3.86Å; H53-E78 IonicContact CD2-OE2 2.92Å; H53-E78 PolarHBondContact CD2-OE2 3.48Å; H53-E78 IonicContact CE1-OE2 3.67Å; H53-E78 PolarHBondContact CE1-OE2 3.37Å; H53-E78 IonicContact CG-OE2 3.74Å; H53-E78 IonicContact ND1-OE2 3.17Å; H53-E78 PolarHBondContact ND1-OE2 2.89Å; H53-E78 IonicContact NE2-OE2 2.84Å; H53-E78 PolarHBondContact NE2-OE2 2.89Å; H53-L81 HydrophobicContact CB-CD2 4.42Å
54K95.7Very high92.8Very high115 Ų11554.8 Ų54.850%0.527%0.27SS..Hα-helixtrans-58.4-47.3176.1-178.5-178.6170-174.50111.4S50 E51 R57 E58S50-K54 PolarHBondContact O-N 2.77Å; E51-K54 PolarHBondContact O-N 3.43Å; K54-R57 PolarHBondContact O-N 3.49Å; K54-E58 WeakPolarHBondContact CE-OE1 3.01Å; K54-E58 IonicContact NZ-OE1 3.08Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.09Å
55F95.2Very high92Very high11 Ų1151.2 Ų51.25%0.04825%0.251CS..Hα-helixtrans-58.9-52.4178170.5-110.2000111.9E51 S52 H53 R57 E58 Q59 M401 I404 I740 E743 A744 L747E51-F55 WeakPolarHBondContact O-CB 3.41Å; E51-F55 PolarHBondContact O-N 2.86Å; S52-F55 PolarHBondContact O-N 2.91Å; H53-F55 VanDerWaalsContact C-N 3.35Å; H53-F55 PolarHBondContact O-N 2.85Å; F55-R57 VanDerWaalsContact C-N 3.29Å; F55-R57 PolarHBondContact O-N 3.05Å; F55-E58 PolarHBondContact O-N 3.07Å; F55-Q59 HydrophobicContact CD2-CG 4.38Å; F55-Q59 HydrophobicContact CE2-CG 4.08Å; F55-Q59 HydrophobicContact CZ-CG 4.34Å; F55-Q59 WeakPolarHBondContact O-CG 3.22Å; F55-Q59 PolarHBondContact O-N 3.26Å; F55-M401 HydrophobicContact CD1-CE 4.09Å; F55-M401 HydrophobicContact CD1-SD 3.9Å; F55-M401 HydrophobicContact CE1-SD 3.93Å; F55-I404 HydrophobicContact CE1-CD1 4.3Å; F55-I404 HydrophobicContact CE1-CG2 4.28Å; F55-I404 HydrophobicContact CZ-CG2 4.42Å; F55-I740 HydrophobicContact CE2-CG2 4.22Å; F55-I740 HydrophobicContact CZ-CG2 3.7Å; F55-E743 HydrophobicContact CD2-CB 3.96Å; F55-E743 HydrophobicContact CE2-CB 3.63Å; F55-E743 HydrophobicContact CZ-CB 4.22Å; F55-A744 HydrophobicContact CE1-CB 4.29Å; F55-A744 HydrophobicContact CZ-CB 4.21Å; F55-L747 HydrophobicContact CB-CD1 3.94Å; F55-L747 HydrophobicContact CD1-CD1 3.75Å; F55-L747 HydrophobicContact CE1-CD1 4.44Å; F55-L747 HydrophobicContact CG-CD1 3.92Å
56T93.9Very high91.3Very high2 Ų252.1 Ų52.11%0.01226%0.258CS..Hα-helixtrans-63.8-33.3179.951.80000112.8S52 H53 S60 V73 V77 M401 I404S52-T56 WeakPolarHBondContact O-CG2 3.16Å; S52-T56 PolarHBondContact O-N 3.33Å; S52-T56 PolarHBondContact O-OG1 3.27Å; H53-T56 PolarHBondContact O-N 3.41Å; H53-T56 PolarHBondContact O-OG1 3.05Å; T56-S60 WeakPolarHBondContact O-CB 3.49Å; T56-S60 PolarHBondContact O-N 3.27Å; T56-S60 VanDerWaalsContact O-N 3.13Å; T56-S60 PolarHBondContact O-OG 3.04Å; T56-V73 HydrophobicContact CG2-CG1 4.06Å; T56-V77 HydrophobicContact CG2-CG2 4.37Å; T56-M401 HydrophobicContact CG2-CE 3.91Å; T56-I404 HydrophobicContact CG2-CD1 4.16Å
57R93.1Very high90.7Very high115 Ų11557.6 Ų57.643%0.43428%0.281SS..Hα-helixtrans-62.9-52.5174.1-167.2176.968.6-178.41.8111.9H53 K54 F55 Q59 S60 E61 H74H53-R57 WeakPolarHBondContact O-CB 3.37Å; H53-R57 PolarHBondContact O-N 3.06Å; K54-R57 PolarHBondContact O-N 3.49Å; F55-R57 VanDerWaalsContact C-N 3.29Å; F55-R57 PolarHBondContact O-N 3.05Å; R57-Q59 PolarHBondContact O-N 2.79Å; R57-S60 PolarHBondContact O-N 3.25Å; R57-S60 PolarHBondContact O-OG 2.8Å; R57-E61 PolarHBondContact O-N 3.23Å; R57-H74 WeakPolarHBondContact CA-CD2 3.34Å; R57-H74 WeakPolarHBondContact CB-CD2 3.49Å; R57-H74 WeakPolarHBondContact CB-NE2 3.49Å; R57-H74 VanDerWaalsContact CG-NE2 3.32Å; R57-H74 WeakPolarHBondContact CG-NE2 3.32Å
58E92Very high90Very high68 Ų6856.5 Ų56.532%0.31827%0.27SS..Hα-helixtrans-59.6-33.9-177.9-73.2173.2-175.300112.2K54 F55K54-E58 WeakPolarHBondContact CE-OE1 3.01Å; K54-E58 IonicContact NZ-OE1 3.08Å; K54-E58 WeakPolarHBondContact O-CG 3.47Å; K54-E58 PolarHBondContact O-N 3.09Å; F55-E58 PolarHBondContact O-N 3.07Å
59Q90Very high89.4Confident0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-80.9-19.8176.4-54.3-42.4-50.400113.7F55 R57 E61 F65 A66 I69 I740F55-Q59 HydrophobicContact CD2-CG 4.38Å; F55-Q59 HydrophobicContact CE2-CG 4.08Å; F55-Q59 HydrophobicContact CZ-CG 4.34Å; F55-Q59 WeakPolarHBondContact O-CG 3.22Å; F55-Q59 PolarHBondContact O-N 3.26Å; R57-Q59 PolarHBondContact O-N 2.79Å; Q59-E61 VanDerWaalsContact C-N 3.32Å; Q59-F65 HydrophobicContact CB-CB 4.5Å; Q59-F65 WeakPolarHBondContact O-CB 3.39Å; Q59-A66 PolarHBondContact O-N 2.97Å; Q59-I69 HydrophobicContact CB-CD1 3.1Å; Q59-I69 HydrophobicContact CG-CD1 3.66Å; Q59-I740 HydrophobicContact CG-CD1 4.47Å; Q59-I740 HydrophobicContact CG-CG1 4.38Å
60S86.4Confident88.7Confident50 Ų5059 Ų5935%0.3529%0.29SS..Hα-helixtrans-79.3-13.2177.670.60000114T56 R57 E62T56-S60 WeakPolarHBondContact O-CB 3.49Å; T56-S60 PolarHBondContact O-N 3.27Å; T56-S60 VanDerWaalsContact O-N 3.13Å; T56-S60 PolarHBondContact O-OG 3.04Å; R57-S60 PolarHBondContact O-N 3.25Å; R57-S60 PolarHBondContact O-OG 2.8Å; S60-E62 VanDerWaalsContact C-N 3.29Å; S60-E62 PolarHBondContact O-N 2.95Å
61E84.8Confident87.8Confident151 Ų15164.5 Ų64.571%0.70631%0.31SS*.THydrogen-bonded Turntrans-70.7-25.7177.4-68.4-179.8-177.700112.7R57 Q59R57-E61 PolarHBondContact O-N 3.23Å; Q59-E61 VanDerWaalsContact C-N 3.32Å
62E83Confident87.3Confident96 Ų9664.2 Ų64.245%0.44932%0.323SS..SBendtrans-105.1113.1-179.3-169.1170.9-167.800110S60 R64 F65 A66S60-E62 VanDerWaalsContact C-N 3.29Å; S60-E62 PolarHBondContact O-N 2.95Å; E62-R64 PolarHBondContact O-N 3.47Å; E62-F65 HydrophobicContact CB-CD2 4.03Å; E62-F65 HydrophobicContact CG-CD2 3.9Å; E62-F65 HydrophobicContact CG-CE2 4.39Å; E62-F65 PolarHBondContact O-N 3.46Å; E62-F65 WeakPolarHBondContact OE2-CD2 3.24Å; E62-F65 WeakPolarHBondContact OE2-CE2 3.44Å; E62-A66 PolarHBondContact O-N 3.4Å
63D82.9Confident87Confident133 Ų13365.2 Ų65.271%0.71133%0.328SS*.Hα-helixtrans-49.6-36.4-170.8-86.4-16.8000114.4K67D63-K67 WeakPolarHBondContact O-CG 3.41Å; D63-K67 PolarHBondContact O-N 3.05Å; D63-K67 VanDerWaalsContact O-N 3.17Å
64R81.5Confident86.7Confident105 Ų10566.7 Ų66.740%0.39634%0.335SS..Hα-helixtrans-64.2-47.1178.2-177-177.2177.1-178.30.6111.4E62 K67 L68 D733E62-R64 PolarHBondContact O-N 3.47Å; R64-K67 PolarHBondContact O-N 3.4Å; R64-L68 PolarHBondContact O-N 2.99Å; R64-D733 IonicContact CZ-OD2 3.55Å; R64-D733 VanDerWaalsContact CZ-OD2 3.3Å; R64-D733 IonicContact NH1-OD1 3.58Å; R64-D733 PolarHBondContact NH1-OD1 3.02Å; R64-D733 IonicContact NH1-OD2 3.41Å; R64-D733 PolarHBondContact NH1-OD2 2.99Å; R64-D733 IonicContact NH2-OD2 2.79Å; R64-D733 PolarHBondContact NH2-OD2 3.39Å
65F80.5Confident86.6Confident4 Ų464.1 Ų64.12%0.01834%0.336CS..Hα-helixtrans-77.9-29.5-179.4-65.5-68.9000112.1Q59 E62 K67 L68 I69 R736 L737 I740Q59-F65 HydrophobicContact CB-CB 4.5Å; Q59-F65 WeakPolarHBondContact O-CB 3.39Å; E62-F65 HydrophobicContact CB-CD2 4.03Å; E62-F65 HydrophobicContact CG-CD2 3.9Å; E62-F65 HydrophobicContact CG-CE2 4.39Å; E62-F65 PolarHBondContact O-N 3.46Å; E62-F65 WeakPolarHBondContact OE2-CD2 3.24Å; E62-F65 WeakPolarHBondContact OE2-CE2 3.44Å; F65-K67 VanDerWaalsContact C-N 3.28Å; F65-K67 PolarHBondContact O-N 2.95Å; F65-L68 HydrophobicContact CD1-CD2 4.02Å; F65-L68 HydrophobicContact CE1-CD2 4.5Å; F65-L68 WeakPolarHBondContact O-CB 3.44Å; F65-L68 PolarHBondContact O-N 3.23Å; F65-L68 VanDerWaalsContact O-N 3.13Å; F65-I69 WeakPolarHBondContact O-CB 3.27Å; F65-I69 WeakPolarHBondContact O-CG1 3.35Å; F65-I69 PolarHBondContact O-N 3.25Å; F65-R736 HydrophobicContact CE1-CG 4.1Å; F65-R736 HydrophobicContact CE2-CG 3.56Å; F65-R736 HydrophobicContact CZ-CB 4.01Å; F65-R736 HydrophobicContact CZ-CG 3.31Å; F65-L737 HydrophobicContact CE1-CD2 3.82Å; F65-L737 HydrophobicContact CE1-CG 4.21Å; F65-I740 HydrophobicContact CD1-CD1 3.43Å; F65-I740 VanDerWaalsContact CD1-CD1 3.43Å; F65-I740 HydrophobicContact CE1-CD1 3.6Å; F65-I740 HydrophobicContact CG-CD1 3.99Å; F65-I740 HydrophobicContact CZ-CD1 4.28Å
66A82.9Confident86.5Confident18 Ų1867.7 Ų67.715%0.14935%0.352CS..Hα-helixtrans-58.6-40.5170.400000111.9Q59 E62 G70Q59-A66 PolarHBondContact O-N 2.97Å; E62-A66 PolarHBondContact O-N 3.4Å; A66-G70 CarbonylContact O-C 3.55Å; A66-G70 PolarHBondContact O-N 3.37Å; A66-G70 VanDerWaalsContact O-N 3.11Å
67K84.5Confident86.6Confident154 Ų15467.6 Ų67.667%0.6735%0.352SS*.Hα-helixtrans-68.6-39.1173.2-72.9175.7-176.1174.50112.5D63 R64 F65D63-K67 WeakPolarHBondContact O-CG 3.41Å; D63-K67 PolarHBondContact O-N 3.05Å; D63-K67 VanDerWaalsContact O-N 3.17Å; R64-K67 PolarHBondContact O-N 3.4Å; F65-K67 VanDerWaalsContact C-N 3.28Å; F65-K67 PolarHBondContact O-N 2.95Å
68L82.8Confident86.7Confident34 Ų3465 Ų6518%0.17835%0.345CS..Hα-helixtrans-64.3-42.6179.8-166.876000112.1R64 F65 T407 T408 E411 L737R64-L68 PolarHBondContact O-N 2.99Å; F65-L68 HydrophobicContact CD1-CD2 4.02Å; F65-L68 HydrophobicContact CE1-CD2 4.5Å; F65-L68 WeakPolarHBondContact O-CB 3.44Å; F65-L68 PolarHBondContact O-N 3.23Å; F65-L68 VanDerWaalsContact O-N 3.13Å; L68-T407 HydrophobicContact CD1-CG2 3.65Å; L68-T407 HydrophobicContact CG-CG2 3.94Å; L68-T408 HydrophobicContact CD2-CG2 3.61Å; L68-E411 HydrophobicContact CD1-CB 4.03Å; L68-E411 HydrophobicContact CD1-CG 4.02Å; L68-L737 HydrophobicContact CD2-CD2 3.77Å
69I83.6Confident86.9Confident23 Ų2367.9 Ų67.912%0.11836%0.358CS..Hα-helixtrans-80-28.7-177-69.9170.5000111.8Q59 F65 V73 I404Q59-I69 HydrophobicContact CB-CD1 3.1Å; Q59-I69 HydrophobicContact CG-CD1 3.66Å; F65-I69 WeakPolarHBondContact O-CB 3.27Å; F65-I69 WeakPolarHBondContact O-CG1 3.35Å; F65-I69 PolarHBondContact O-N 3.25Å; I69-V73 HydrophobicContact CG2-CB 4Å; I69-V73 HydrophobicContact CG2-CG1 3.92Å; I69-V73 HydrophobicContact CG2-CG2 4.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.47Å; I69-I404 HydrophobicContact CB-CG1 4.31Å; I69-I404 HydrophobicContact CG1-CD1 4.35Å; I69-I404 HydrophobicContact CG1-CG1 4.1Å; I69-I404 HydrophobicContact CG1-CG2 4.17Å; I69-I404 HydrophobicContact CG2-CD1 3.63Å; I69-I404 HydrophobicContact CG2-CG1 3.8Å
70G82.5Confident87.2Confident30 Ų3068.2 Ų68.231%0.30936%0.359SS..  trans108.7129.4-176.100000111.4A66 G72 V73A66-G70 CarbonylContact O-C 3.55Å; A66-G70 PolarHBondContact O-N 3.37Å; A66-G70 VanDerWaalsContact O-N 3.11Å; G70-G72 PolarHBondContact O-N 2.76Å; G70-V73 WeakPolarHBondContact O-CG2 3.39Å; G70-V73 PolarHBondContact O-N 3.05Å
71Q79.5Confident87.7Confident167 Ų16766 Ų6678%0.7834%0.343SS*.THydrogen-bonded Turntrans-65.1130.5178-68.6-175.5-9.400110.3
72G85.1Confident88.2Confident51 Ų5162.6 Ų62.653%0.52633%0.328SS..THydrogen-bonded Turntrans90.4-7.3178.100000115.4G70 H74 A75 E76G70-G72 PolarHBondContact O-N 2.76Å; G72-H74 VanDerWaalsContact C-N 3.31Å; G72-H74 PolarHBondContact O-N 3.22Å; G72-A75 WeakPolarHBondContact O-CB 3.27Å; G72-A75 PolarHBondContact O-N 3.17Å; G72-E76 PolarHBondContact O-N 3.18Å
73V91.3Very high88.7Confident20 Ų2061.3 Ų61.312%0.12132%0.321CS..Hα-helixtrans-56.9-43.7178.5168.40000112.1T56 I69 G70 A75 E76 V77 I400T56-V73 HydrophobicContact CG2-CG1 4.06Å; I69-V73 HydrophobicContact CG2-CB 4Å; I69-V73 HydrophobicContact CG2-CG1 3.92Å; I69-V73 HydrophobicContact CG2-CG2 4.28Å; I69-V73 WeakPolarHBondContact O-CG2 3.47Å; G70-V73 WeakPolarHBondContact O-CG2 3.39Å; G70-V73 PolarHBondContact O-N 3.05Å; V73-A75 VanDerWaalsContact C-N 3.29Å; V73-A75 PolarHBondContact O-N 3.05Å; V73-E76 WeakPolarHBondContact O-CB 3.43Å; V73-E76 PolarHBondContact O-N 2.77Å; V73-V77 HydrophobicContact CG1-CG2 4.5Å; V73-V77 WeakPolarHBondContact O-CG2 3.38Å; V73-V77 PolarHBondContact O-N 2.61Å; V73-I400 HydrophobicContact CG1-CG2 3.37Å
74H90.2Very high89.3Confident54 Ų5455 Ų5525%0.2529%0.287CS..Hα-helixtrans-55.9-42.9174.9164.9-96.6000112.5H53 R57 G72 V77 E78H53-H74 AromaticContact CD2-CD2 3.58Å; H53-H74 AromaticContact CD2-NE2 3.63Å; H53-H74 AromaticContact CE1-NE2 3.7Å; H53-H74 AromaticContact NE2-CD2 3.4Å; H53-H74 PolarHBondContact NE2-CD2 3.28Å; H53-H74 AromaticContact NE2-CE1 3.58Å; H53-H74 AromaticContact NE2-NE2 2.91Å; H53-H74 PolarHBondContact NE2-NE2 3.42Å; R57-H74 WeakPolarHBondContact CA-CD2 3.34Å; R57-H74 WeakPolarHBondContact CB-CD2 3.49Å; R57-H74 WeakPolarHBondContact CB-NE2 3.49Å; R57-H74 VanDerWaalsContact CG-NE2 3.32Å; R57-H74 WeakPolarHBondContact CG-NE2 3.32Å; G72-H74 VanDerWaalsContact C-N 3.31Å; G72-H74 PolarHBondContact O-N 3.22Å; H74-V77 PolarHBondContact O-N 3.44Å; H74-E78 PolarHBondContact O-N 3.33Å
75A92.5Very high90Very high61 Ų6154.6 Ų54.650%0.50429%0.285SS..Hα-helixtrans-69.2-35179.400000112.1G72 V73 E78 H79G72-A75 WeakPolarHBondContact O-CB 3.27Å; G72-A75 PolarHBondContact O-N 3.17Å; V73-A75 VanDerWaalsContact C-N 3.29Å; V73-A75 PolarHBondContact O-N 3.05Å; A75-E78 PolarHBondContact O-N 3.44Å; A75-H79 PolarHBondContact O-N 2.95Å
76E94.3Very high90.6Very high85 Ų8558 Ų5840%0.39730%0.304SS..Hα-helixtrans-63.7-44.3173.4-173.9176.5-179.600111.5G72 V73 H79 H80 I400G72-E76 PolarHBondContact O-N 3.18Å; V73-E76 WeakPolarHBondContact O-CB 3.43Å; V73-E76 PolarHBondContact O-N 2.77Å; E76-H79 PolarHBondContact O-N 3.41Å; E76-H80 PolarHBondContact O-CD2 3.43Å; E76-H80 VanDerWaalsContact O-CD2 3.3Å; E76-H80 PolarHBondContact O-N 3.42Å; E76-H80 VanDerWaalsContact O-N 3.16Å; E76-I400 HydrophobicContact CG-CD1 4.25Å
77V95.6Very high91.1Very high0 Ų057.5 Ų57.50%030%0.298CS..Hα-helixtrans-66.4-38.5177.4-176.50000111.4V49 H53 T56 V73 H74 H79 H80 L81 I400V49-V77 HydrophobicContact CG1-CG1 4.17Å; H53-V77 HydrophobicContact CB-CG1 3.86Å; T56-V77 HydrophobicContact CG2-CG2 4.37Å; V73-V77 HydrophobicContact CG1-CG2 4.5Å; V73-V77 WeakPolarHBondContact O-CG2 3.38Å; V73-V77 PolarHBondContact O-N 2.61Å; H74-V77 PolarHBondContact O-N 3.44Å; V77-H79 PolarHBondContact O-N 3.26Å; V77-H80 WeakPolarHBondContact O-CB 3.44Å; V77-H80 PolarHBondContact O-N 3.4Å; V77-L81 PolarHBondContact O-N 3.14Å; V77-I400 HydrophobicContact CG2-CD1 3.86Å; V77-I400 HydrophobicContact CG2-CG2 4.47Å
78E95.7Very high91.5Very high62 Ų6253 Ų5329%0.2928%0.28SS..Hα-helixtrans-63.1-40.2174.9-177.456-161.400112.1H53 H74 A75 H80 L81 Q82H53-E78 IonicContact CD2-OE2 2.92Å; H53-E78 PolarHBondContact CD2-OE2 3.48Å; H53-E78 IonicContact CE1-OE2 3.67Å; H53-E78 PolarHBondContact CE1-OE2 3.37Å; H53-E78 IonicContact CG-OE2 3.74Å; H53-E78 IonicContact ND1-OE2 3.17Å; H53-E78 PolarHBondContact ND1-OE2 2.89Å; H53-E78 IonicContact NE2-OE2 2.84Å; H53-E78 PolarHBondContact NE2-OE2 2.89Å; H74-E78 PolarHBondContact O-N 3.33Å; A75-E78 PolarHBondContact O-N 3.44Å; E78-H80 VanDerWaalsContact C-N 3.29Å; E78-H80 PolarHBondContact O-N 2.81Å; E78-L81 WeakPolarHBondContact O-CB 3.34Å; E78-L81 PolarHBondContact O-N 2.89Å; E78-L81 VanDerWaalsContact O-N 3.13Å; E78-L81 WeakPolarHBondContact OE2-CD2 3.21Å; E78-Q82 PolarHBondContact O-N 2.85Å
79H95.7Very high91.9Very high127 Ų12755.5 Ų55.559%0.58829%0.29SS*.Hα-helixtrans-59.7-42.7174.8-18072.2000111.5A75 E76 V77 Q82 K83A75-H79 PolarHBondContact O-N 2.95Å; E76-H79 PolarHBondContact O-N 3.41Å; V77-H79 PolarHBondContact O-N 3.26Å; H79-Q82 PolarHBondContact O-N 3.33Å; H79-K83 PolarHBondContact O-N 3.21Å
80H95.7Very high92.3Very high7 Ų757.9 Ų57.93%0.03230%0.303CS..Hα-helixtrans-64.9-38174.1-75.4-46.8000112.8V49 E76 V77 E78 Q82 K83 I84 V393 R396 V397V49-H80 HydrophobicContact CG1-CB 4.44Å; E76-H80 PolarHBondContact O-CD2 3.43Å; E76-H80 VanDerWaalsContact O-CD2 3.3Å; E76-H80 PolarHBondContact O-N 3.42Å; E76-H80 VanDerWaalsContact O-N 3.16Å; V77-H80 WeakPolarHBondContact O-CB 3.44Å; V77-H80 PolarHBondContact O-N 3.4Å; E78-H80 VanDerWaalsContact C-N 3.29Å; E78-H80 PolarHBondContact O-N 2.81Å; H80-Q82 PolarHBondContact O-N 2.9Å; H80-K83 WeakPolarHBondContact O-CB 3.33Å; H80-K83 PolarHBondContact O-N 3.12Å; H80-I84 WeakPolarHBondContact O-CG1 3.34Å; H80-I84 PolarHBondContact O-N 3.25Å; H80-V393 HydrophobicContact CB-CG1 3.87Å; H80-R396 WeakPolarHBondContact CE1-CD 3.24Å; H80-R396 VanDerWaalsContact NE2-CD 3.32Å; H80-R396 WeakPolarHBondContact NE2-CD 3.48Å; H80-V397 HydrophobicContact CB-CG2 4.47Å
81L96Very high92.7Very high3 Ų356.5 Ų56.52%0.01629%0.288CS..Hα-helixtrans-59-47.1175.8-17562.1000111.3L46 V49 H53 V77 E78 K83 I84 R85L46-L81 HydrophobicContact CD1-CD1 3.64Å; V49-L81 HydrophobicContact CB-CD1 4.2Å; V49-L81 HydrophobicContact CG1-CB 3.88Å; V49-L81 HydrophobicContact CG1-CD1 3.98Å; H53-L81 HydrophobicContact CB-CD2 4.42Å; V77-L81 PolarHBondContact O-N 3.14Å; E78-L81 WeakPolarHBondContact O-CB 3.34Å; E78-L81 PolarHBondContact O-N 2.89Å; E78-L81 VanDerWaalsContact O-N 3.13Å; E78-L81 WeakPolarHBondContact OE2-CD2 3.21Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 3.34Å; L81-I84 PolarHBondContact O-N 3.06Å; L81-R85 PolarHBondContact O-N 2.85Å; L81-R85 VanDerWaalsContact O-N 3.14Å
82Q95.4Very high93.2Very high81 Ų8151.6 Ų51.638%0.37928%0.277SS..Hα-helixtrans-65.7-37.9178-170.756.941.700112.2E78 H79 H80 I84 R85 N86E78-Q82 PolarHBondContact O-N 2.85Å; H79-Q82 PolarHBondContact O-N 3.33Å; H80-Q82 PolarHBondContact O-N 2.9Å; Q82-I84 VanDerWaalsContact C-N 3.34Å; Q82-I84 PolarHBondContact O-N 3.38Å; Q82-R85 PolarHBondContact O-N 3.29Å; Q82-N86 PolarHBondContact NE2-OD1 3.28Å; Q82-N86 VanDerWaalsContact O-CG 3.3Å; Q82-N86 PolarHBondContact O-N 2.84Å; Q82-N86 VanDerWaalsContact O-N 3.11Å; Q82-N86 PolarHBondContact O-OD1 3.35Å
83K94.8Very high93.3Very high69 Ų6957 Ų5730%0.328%0.281SS..Hα-helixtrans-59.4-44.3175.3-172.9178.4179.7-176.40111.7H79 H80 L81 N86 I87 V393H79-K83 PolarHBondContact O-N 3.21Å; H80-K83 WeakPolarHBondContact O-CB 3.33Å; H80-K83 PolarHBondContact O-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 3.34Å; K83-N86 PolarHBondContact O-N 3.4Å; K83-I87 HydrophobicContact CG-CD1 4.06Å; K83-I87 WeakPolarHBondContact O-CG1 3.5Å; K83-I87 PolarHBondContact O-N 2.97Å; K83-I87 VanDerWaalsContact O-N 3.14Å; K83-V393 HydrophobicContact CD-CG2 4.12Å
84I96.1Very high93.3Very high0 Ų057.3 Ų57.30%028%0.282CS..Hα-helixtrans-64.9-42.4178.7-67-59.2000111.7Y42 I45 L46 H80 L81 Q82 N86 I87 Q88 V393Y42-I84 HydrophobicContact CD1-CD1 4.41Å; Y42-I84 HydrophobicContact CD1-CG2 4.04Å; Y42-I84 HydrophobicContact CE1-CD1 3.84Å; Y42-I84 HydrophobicContact CE1-CG2 4.46Å; I45-I84 HydrophobicContact CG2-CD1 3.74Å; I45-I84 HydrophobicContact CG2-CG1 3.93Å; I45-I84 HydrophobicContact CG2-CG2 4.14Å; L46-I84 HydrophobicContact CB-CG2 3.98Å; L46-I84 HydrophobicContact CD1-CG2 4.13Å; H80-I84 WeakPolarHBondContact O-CG1 3.34Å; H80-I84 PolarHBondContact O-N 3.25Å; L81-I84 PolarHBondContact O-N 3.06Å; Q82-I84 VanDerWaalsContact C-N 3.34Å; Q82-I84 PolarHBondContact O-N 3.38Å; I84-N86 VanDerWaalsContact C-N 3.33Å; I84-N86 PolarHBondContact O-N 3.43Å; I84-I87 PolarHBondContact O-N 3.36Å; I84-Q88 PolarHBondContact O-N 3.12Å; I84-V393 HydrophobicContact CD1-CB 4.03Å; I84-V393 HydrophobicContact CD1-CG1 3.89Å; I84-V393 HydrophobicContact CD1-CG2 4.11Å; I84-V393 HydrophobicContact CG1-CG1 3.88Å
85R94.6Very high93.4Very high96 Ų9657 Ų5736%0.36228%0.281SS..Hα-helixtrans-57.2-46.1175.1-71.9179.1179.6143.41.8112.1L46 L81 Q82 I87 Q88 E89L46-R85 HydrophobicContact CD1-CG 3.73Å; L81-R85 PolarHBondContact O-N 2.85Å; L81-R85 VanDerWaalsContact O-N 3.14Å; Q82-R85 PolarHBondContact O-N 3.29Å; R85-I87 VanDerWaalsContact C-N 3.34Å; R85-I87 PolarHBondContact O-N 2.9Å; R85-Q88 PolarHBondContact O-N 3.34Å; R85-E89 PolarHBondContact O-N 3.41Å
86N93.8Very high93.5Very high77 Ų7754.1 Ų54.141%0.41226%0.257SS..Hα-helixtrans-62.9-41.5179.7-66.1-8.8000111.8Q82 K83 I84 E89 I90Q82-N86 PolarHBondContact NE2-OD1 3.28Å; Q82-N86 VanDerWaalsContact O-CG 3.3Å; Q82-N86 PolarHBondContact O-N 2.84Å; Q82-N86 VanDerWaalsContact O-N 3.11Å; Q82-N86 PolarHBondContact O-OD1 3.35Å; K83-N86 PolarHBondContact O-N 3.4Å; I84-N86 VanDerWaalsContact C-N 3.33Å; I84-N86 PolarHBondContact O-N 3.43Å; N86-E89 PolarHBondContact O-N 3.28Å; N86-I90 WeakPolarHBondContact O-CG1 3.46Å; N86-I90 PolarHBondContact O-N 2.86Å
87I93.3Very high93.6Very high7 Ų750.6 Ų50.64%0.03624%0.24CC..Hα-helixtrans-68.5-38.5179-63164000111.2Y42 K83 I84 R85 E89 I90 I91 H386 Q389Y42-I87 HydrophobicContact CD1-CB 4.37Å; Y42-I87 HydrophobicContact CD1-CG2 4.12Å; Y42-I87 HydrophobicContact CE1-CB 3.66Å; Y42-I87 HydrophobicContact CE1-CD1 4.23Å; Y42-I87 HydrophobicContact CE1-CG2 3.34Å; Y42-I87 HydrophobicContact CE2-CG2 4.35Å; Y42-I87 VanDerWaalsContact CZ-CG2 3.46Å; Y42-I87 WeakPolarHBondContact OH-CG2 3.12Å; K83-I87 HydrophobicContact CG-CD1 4.06Å; K83-I87 WeakPolarHBondContact O-CG1 3.5Å; K83-I87 PolarHBondContact O-N 2.97Å; K83-I87 VanDerWaalsContact O-N 3.14Å; I84-I87 PolarHBondContact O-N 3.36Å; R85-I87 VanDerWaalsContact C-N 3.34Å; R85-I87 PolarHBondContact O-N 2.9Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 2.66Å; I87-I90 WeakPolarHBondContact O-CB 3.37Å; I87-I90 PolarHBondContact O-N 3.2Å; I87-I91 HydrophobicContact CG2-CD1 3.69Å; I87-I91 HydrophobicContact CG2-CG1 4.15Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 3.5Å; I87-H386 HydrophobicContact CG2-CB 3.97Å; I87-H386 WeakPolarHBondContact CG2-ND1 3.25Å; I87-Q389 HydrophobicContact CD1-CB 4.2Å; I87-Q389 VanDerWaalsContact CD1-OE1 3.28Å
88Q92.8Very high93.6Very high59 Ų5950.6 Ų50.628%0.27624%0.24SC..Hα-helixtrans-58.6-41.7176.7-168.2-176.629.900111.7I84 R85 I90 I91 A92I84-Q88 PolarHBondContact O-N 3.12Å; R85-Q88 PolarHBondContact O-N 3.34Å; Q88-I90 VanDerWaalsContact C-N 3.31Å; Q88-I90 PolarHBondContact O-N 2.85Å; Q88-I91 PolarHBondContact O-N 3.02Å; Q88-A92 PolarHBondContact O-N 3.43Å; Q88-A92 VanDerWaalsContact O-N 3.16Å
89E90.8Very high93.6Very high86 Ų8647.7 Ų47.740%0.40223%0.226SC..Hα-helixtrans-62-37.7174.1-71.9-170.2-160.900112.7R85 N86 I87 R93R85-E89 PolarHBondContact O-N 3.41Å; N86-E89 PolarHBondContact O-N 3.28Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 2.66Å; E89-R93 WeakPolarHBondContact O-CG 3.49Å; E89-R93 PolarHBondContact O-N 3.37Å; E89-R93 IonicContact OE2-CZ 3.13Å; E89-R93 IonicContact OE2-NH2 2.63Å; E89-R93 PolarHBondContact OE2-NH2 2.65Å
90I91.6Very high93.6Very high74 Ų7441.6 Ų41.638%0.37920%0.198SC..Hα-helixtrans-68.1-48.2179-64.9166.3000110.3N86 I87 Q88 A92 R93 N94 H386N86-I90 WeakPolarHBondContact O-CG1 3.46Å; N86-I90 PolarHBondContact O-N 2.86Å; I87-I90 WeakPolarHBondContact O-CB 3.37Å; I87-I90 PolarHBondContact O-N 3.2Å; Q88-I90 VanDerWaalsContact C-N 3.31Å; Q88-I90 PolarHBondContact O-N 2.85Å; I90-A92 VanDerWaalsContact C-N 3.29Å; I90-A92 PolarHBondContact O-N 2.86Å; I90-R93 PolarHBondContact O-N 3.01Å; I90-N94 PolarHBondContact O-N 3.27Å; I90-N94 VanDerWaalsContact O-N 3.1Å; I90-H386 WeakPolarHBondContact CG2-NE2 3.43Å
91I92Very high93.5Very high0 Ų041.3 Ų41.30%020%0.197CC..Hα-helixtrans-58.6-42-179.7-66.6163.3000111.1L38 A39 Y42 I87 Q88 R93 N94 F383 H386L38-I91 HydrophobicContact CD2-CD1 3.82Å; L38-I91 HydrophobicContact CD2-CG1 4.15Å; L38-I91 HydrophobicContact CD2-CG2 4.42Å; L38-I91 HydrophobicContact CG-CD1 3.96Å; A39-I91 HydrophobicContact CB-CG2 4.31Å; Y42-I91 HydrophobicContact CD1-CD1 4.14Å; Y42-I91 HydrophobicContact CD2-CD1 3.44Å; Y42-I91 VanDerWaalsContact CD2-CD1 3.44Å; Y42-I91 HydrophobicContact CE1-CD1 4.27Å; Y42-I91 HydrophobicContact CE2-CD1 3.55Å; Y42-I91 HydrophobicContact CG-CD1 3.74Å; I87-I91 HydrophobicContact CG2-CD1 3.69Å; I87-I91 HydrophobicContact CG2-CG1 4.15Å; I87-I91 WeakPolarHBondContact O-CG1 3.47Å; I87-I91 PolarHBondContact O-N 3.5Å; Q88-I91 PolarHBondContact O-N 3.02Å; I91-R93 PolarHBondContact O-N 2.85Å; I91-N94 PolarHBondContact O-N 2.84Å; I91-F383 HydrophobicContact CG2-CE1 4.45Å; I91-H386 HydrophobicContact CD1-CB 4.3Å; I91-H386 HydrophobicContact CG1-CB 4.5Å
92A89.4Confident93.4Very high65 Ų6541.1 Ų41.154%0.53720%0.196SC..Hα-helixtrans-60.6-34.8178.900000112.6K35 Q88 I90K35-A92 WeakPolarHBondContact CE-O 3.46Å; K35-A92 PolarHBondContact NZ-O 2.83Å; Q88-A92 PolarHBondContact O-N 3.43Å; Q88-A92 VanDerWaalsContact O-N 3.16Å; I90-A92 VanDerWaalsContact C-N 3.29Å; I90-A92 PolarHBondContact O-N 2.86Å
93R87.9Confident93.1Very high163 Ų16341.5 Ų41.562%0.61519%0.194SC*.Hα-helixtrans-86.4-16.3-177.7-65.5175.3-167.8158.815.3113.9E89 I90 I91 Q95E89-R93 WeakPolarHBondContact O-CG 3.49Å; E89-R93 PolarHBondContact O-N 3.37Å; E89-R93 IonicContact OE2-CZ 3.13Å; E89-R93 IonicContact OE2-NH2 2.63Å; E89-R93 PolarHBondContact OE2-NH2 2.65Å; I90-R93 PolarHBondContact O-N 3.01Å; I91-R93 PolarHBondContact O-N 2.85Å; R93-Q95 PolarHBondContact O-N 3.48Å
94N90.2Very high92.8Very high27 Ų2740 Ų4014%0.14419%0.191CC..  trans-61.2129.9-177.4-78.9-23.7000111.8K35 I90 I91 K382 F383K35-N94 VanDerWaalsContact CE-O 3.29Å; K35-N94 WeakPolarHBondContact CE-O 3.41Å; K35-N94 PolarHBondContact NZ-O 3.24Å; I90-N94 PolarHBondContact O-N 3.27Å; I90-N94 VanDerWaalsContact O-N 3.1Å; I91-N94 PolarHBondContact O-N 2.84Å; N94-K382 HydrophobicContact CB-CB 4.38Å; N94-K382 HydrophobicContact CB-CD 4.1Å; N94-K382 PolarHBondContact ND2-O 3.48Å; N94-F383 HydrophobicContact CB-CE1 4.14Å
95Q92.7Very high92.3Very high49 Ų4944 Ų4423%0.22922%0.219CC..  trans-133.1159.2176-70.3177-41.800108.5R93 D203 V205 K382R93-Q95 PolarHBondContact O-N 3.48Å; Q95-D203 CarbonylContact C-O 3.54Å; Q95-D203 WeakPolarHBondContact CB-O 3.5Å; Q95-D203 HydrophobicContact CG-CB 4.3Å; Q95-V205 HydrophobicContact CB-CG2 3.87Å; Q95-V205 HydrophobicContact CG-CG2 4.41Å; Q95-K382 WeakPolarHBondContact O-CD 3.38Å; Q95-K382 WeakPolarHBondContact O-CE 3.27Å; Q95-K382 PolarHBondContact O-NZ 3.12Å
96M95.5Very high92.2Very high0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-80.1128.5173.3-63.5178.4-84.300109.5L28 F31 E202 D203 V204 V205 L374 A378L28-M96 HydrophobicContact CB-CE 4.41Å; L28-M96 HydrophobicContact CD2-CE 3.84Å; L28-M96 HydrophobicContact CD2-SD 3.9Å; F31-M96 HydrophobicContact CB-CE 4.01Å; F31-M96 HydrophobicContact CB-SD 3.79Å; F31-M96 HydrophobicContact CD1-CE 3.62Å; F31-M96 HydrophobicContact CD1-CG 3.74Å; F31-M96 HydrophobicContact CD1-SD 3.91Å; F31-M96 HydrophobicContact CD2-CG 3.73Å; F31-M96 HydrophobicContact CD2-SD 4Å; F31-M96 HydrophobicContact CE1-CE 4.31Å; F31-M96 HydrophobicContact CE1-CG 3.75Å; F31-M96 HydrophobicContact CE2-CG 3.75Å; F31-M96 HydrophobicContact CG-CE 3.88Å; F31-M96 HydrophobicContact CG-CG 3.73Å; F31-M96 HydrophobicContact CG-SD 3.62Å; F31-M96 HydrophobicContact CZ-CG 3.76Å; M96-E202 WeakPolarHBondContact CE-O 3.18Å; M96-D203 PolarHBondContact N-O 3.04Å; M96-V204 HydrophobicContact CB-CG2 4.39Å; M96-V204 HydrophobicContact CE-CG2 3.74Å; M96-V204 CarbonylContact O-C 3.55Å; M96-V204 WeakPolarHBondContact O-CA 3.48Å; M96-V205 PolarHBondContact O-N 3.25Å; M96-L374 HydrophobicContact CB-CD1 4.16Å; M96-L374 HydrophobicContact CB-CD2 3.98Å; M96-L374 HydrophobicContact CB-CG 3.95Å; M96-L374 HydrophobicContact CG-CG 4.46Å; M96-L374 HydrophobicContact SD-CD2 4.3Å; M96-L374 HydrophobicContact SD-CG 4.16Å; M96-A378 HydrophobicContact CB-CB 4.19Å; M96-A378 HydrophobicContact CG-CB 3.57Å; M96-A378 HydrophobicContact SD-CB 4.47Å
97K95.4Very high92.1Very high11 Ų1137 Ų375%0.04819%0.192CC..EExtended strand (participates in β ladder)trans-119.1127-176.4-175.2173.91781770111.5E134 V205 H225 D228 A229 D230 V231K97-E134 IonicContact NZ-OE2 3.53Å; K97-V205 HydrophobicContact CB-CB 4.49Å; K97-V205 HydrophobicContact CG-CB 4.48Å; K97-V205 HydrophobicContact CG-CG1 4.39Å; K97-H225 VanDerWaalsContact CE-O 3.29Å; K97-H225 WeakPolarHBondContact CE-O 3.33Å; K97-H225 PolarHBondContact NZ-O 2.85Å; K97-D228 WeakPolarHBondContact CD-OD2 3.36Å; K97-D228 VanDerWaalsContact NZ-CG 3.32Å; K97-D228 IonicContact NZ-OD1 2.7Å; K97-D228 PolarHBondContact NZ-OD1 3.39Å; K97-D228 IonicContact NZ-OD2 3.39Å; K97-D228 PolarHBondContact NZ-OD2 3.45Å; K97-D228 VanDerWaalsContact NZ-OD2 3.08Å; K97-A229 HydrophobicContact CG-CB 4.46Å; K97-D230 PolarHBondContact N-OD2 3.1Å; K97-D230 PolarHBondContact O-N 3.27Å; K97-V231 PolarHBondContact O-N 3.28Å
98C96Very high92.1Very high0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-119.4131.3174.9175.90000110.4F100 V205 L206 L207 V231 I233 F370 L374C98-F100 HydrophobicContact CB-CE2 4.46Å; C98-V205 PolarHBondContact N-O 3.36Å; C98-L206 HydrophobicContact CB-CD2 4.34Å; C98-L207 PolarHBondContact O-N 3.08Å; C98-V231 WeakPolarHBondContact CA-O 3.09Å; C98-I233 WeakPolarHBondContact SG-CD1 3.39Å; C98-F370 HydrophobicContact CB-CE2 3.9Å; C98-F370 HydrophobicContact CB-CZ 3.82Å; C98-F370 WeakPolarHBondContact SG-CE2 3.21Å; C98-L374 HydrophobicContact CB-CD1 4.36Å
99A95.9Very high92Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-115.5128.3-17800000112.6F101 L207 A229 V231 F232 I233A99-F101 HydrophobicContact CB-CD2 4.34Å; A99-F101 HydrophobicContact CB-CE2 3.52Å; A99-F101 HydrophobicContact CB-CZ 4.21Å; A99-L207 HydrophobicContact CB-CB 4.22Å; A99-L207 HydrophobicContact CB-CD2 3.98Å; A99-A229 HydrophobicContact CB-CB 4.14Å; A99-V231 PolarHBondContact N-O 3.41Å; A99-F232 HydrophobicContact CB-CD1 4.34Å; A99-F232 HydrophobicContact CB-CE1 4.49Å; A99-F232 WeakPolarHBondContact O-CA 3.27Å; A99-I233 PolarHBondContact O-N 3.49Å
100F95.8Very high92.1Very high0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-102.1129.6-177-65.8-101.8000110.9C98 V111 I112 M115 L206 L207 S209 I233 V235C98-F100 HydrophobicContact CB-CE2 4.46Å; F100-V111 HydrophobicContact CD1-CG1 4.39Å; F100-V111 HydrophobicContact CE1-CG1 3.89Å; F100-I112 HydrophobicContact CB-CD1 4.08Å; F100-I112 HydrophobicContact CD1-CD1 4.39Å; F100-I112 HydrophobicContact CD1-CG1 3.94Å; F100-I112 HydrophobicContact CD2-CD1 3.66Å; F100-I112 HydrophobicContact CD2-CG1 3.72Å; F100-I112 HydrophobicContact CE1-CG1 3.99Å; F100-I112 HydrophobicContact CE2-CD1 4.19Å; F100-I112 HydrophobicContact CE2-CG1 3.8Å; F100-I112 HydrophobicContact CG-CD1 3.79Å; F100-I112 HydrophobicContact CG-CG1 3.8Å; F100-I112 HydrophobicContact CZ-CG1 3.93Å; F100-M115 HydrophobicContact CE1-SD 3.85Å; F100-M115 HydrophobicContact CZ-CE 4.28Å; F100-M115 HydrophobicContact CZ-SD 3.56Å; F100-M115 VanDerWaalsContact CZ-SD 3.56Å; F100-L206 HydrophobicContact CE2-CB 4.27Å; F100-L206 HydrophobicContact CE2-CD2 4.02Å; F100-L206 HydrophobicContact CZ-CD2 4.44Å; F100-L207 WeakPolarHBondContact CD2-O 3.3Å; F100-L207 PolarHBondContact N-O 2.99Å; F100-S209 WeakPolarHBondContact O-CB 3.37Å; F100-S209 PolarHBondContact O-N 2.86Å; F100-S209 PolarHBondContact O-OG 3.35Å; F100-I233 CarbonylContact C-O 3.43Å; F100-I233 WeakPolarHBondContact CA-O 3.24Å; F100-I233 HydrophobicContact CD1-CB 3.86Å; F100-I233 HydrophobicContact CD1-CD1 4.18Å; F100-I233 HydrophobicContact CD1-CG2 3.89Å; F100-I233 HydrophobicContact CE1-CB 4.09Å; F100-I233 HydrophobicContact CE1-CD1 3.51Å; F100-I233 HydrophobicContact CE1-CG1 4.32Å; F100-I233 HydrophobicContact CE1-CG2 4.05Å; F100-I233 HydrophobicContact CE2-CD1 4.45Å; F100-I233 HydrophobicContact CG-CB 4.41Å; F100-I233 HydrophobicContact CZ-CD1 3.67Å; F100-V235 HydrophobicContact CD1-CG2 4.26Å
101F94.5Very high92.3Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-132.2159.9-178.9-68-79.7000111.5A99 K108 F132 S209 I212 C226 F232 I233 L234 V235 F249 F250A99-F101 HydrophobicContact CB-CD2 4.34Å; A99-F101 HydrophobicContact CB-CE2 3.52Å; A99-F101 HydrophobicContact CB-CZ 4.21Å; F101-K108 VanDerWaalsContact C-CD 3.5Å; F101-F132 HydrophobicContact CE1-CE1 4.32Å; F101-S209 WeakPolarHBondContact CD1-OG 3.49Å; F101-S209 VanDerWaalsContact CE1-CB 3.44Å; F101-I212 HydrophobicContact CB-CD1 4.11Å; F101-I212 HydrophobicContact CB-CG1 4.48Å; F101-C226 VanDerWaalsContact CZ-SG 3.54Å; F101-F232 HydrophobicContact CD2-CD1 4.06Å; F101-F232 AromaticContact CE2-CD1 3.71Å; F101-F232 HydrophobicContact CE2-CD1 3.71Å; F101-F232 HydrophobicContact CE2-CE1 4.02Å; F101-I233 PolarHBondContact N-O 3.1Å; F101-L234 CarbonylContact O-C 3.58Å; F101-L234 WeakPolarHBondContact O-CA 3.09Å; F101-V235 PolarHBondContact O-N 3.46Å; F101-F249 HydrophobicContact CB-CD1 4.32Å; F101-F249 HydrophobicContact CB-CE1 4.02Å; F101-F249 HydrophobicContact CD1-CD1 4.22Å; F101-F249 AromaticContact CD1-CE1 3.42Å; F101-F249 HydrophobicContact CD1-CE1 3.42Å; F101-F249 VanDerWaalsContact CD1-CE1 3.42Å; F101-F249 HydrophobicContact CD1-CE2 4.04Å; F101-F249 AromaticContact CD1-CZ 3.33Å; F101-F249 HydrophobicContact CD1-CZ 3.33Å; F101-F249 AromaticContact CD2-CE1 3.67Å; F101-F249 HydrophobicContact CD2-CE1 3.67Å; F101-F249 HydrophobicContact CD2-CZ 4.11Å; F101-F249 AromaticContact CE1-CE1 3.75Å; F101-F249 HydrophobicContact CE1-CE1 3.75Å; F101-F249 AromaticContact CE1-CE2 3.94Å; F101-F249 HydrophobicContact CE1-CE2 3.94Å; F101-F249 AromaticContact CE1-CZ 3.2Å; F101-F249 HydrophobicContact CE1-CZ 3.2Å; F101-F249 AromaticContact CE2-CE1 3.96Å; F101-F249 HydrophobicContact CE2-CE1 3.96Å; F101-F249 AromaticContact CE2-CZ 3.98Å; F101-F249 HydrophobicContact CE2-CZ 3.98Å; F101-F249 HydrophobicContact CG-CD1 4.15Å; F101-F249 AromaticContact CG-CE1 3.4Å; F101-F249 HydrophobicContact CG-CE1 3.4Å; F101-F249 AromaticContact CG-CZ 3.81Å; F101-F249 HydrophobicContact CG-CZ 3.81Å; F101-F249 HydrophobicContact CZ-CE1 4.02Å; F101-F249 AromaticContact CZ-CZ 3.57Å; F101-F249 HydrophobicContact CZ-CZ 3.57Å; F101-F250 HydrophobicContact CB-CE2 3.98Å; F101-F250 HydrophobicContact CB-CZ 4.09Å; F101-F250 HydrophobicContact CD2-CZ 4.4Å
102G92.3Very high92.5Very high0 Ų028.6 Ų28.60%015%0.154CC..  trans148164.6-177.200000111.9K108 I212G102-K108 PolarHBondContact O-NZ 3.44Å; G102-I212 PolarHBondContact O-N 3.37Å
103R90.5Very high92.6Very high88 Ų8825.5 Ų25.533%0.33213%0.129SC..  trans-62.3158.4179.2-70.3175.563.5171.1-0112.5S105 N106 K108 M243 E246R103-S105 PolarHBondContact O-N 3.39Å; R103-N106 PolarHBondContact N-ND2 3.33Å; R103-N106 PolarHBondContact O-N 2.88Å; R103-K108 PolarHBondContact O-NZ 2.91Å; R103-K108 VanDerWaalsContact O-NZ 3.13Å; R103-M243 VanDerWaalsContact NH1-CG 3.31Å; R103-M243 PolarHBondContact NH1-SD 3.32Å; R103-E246 HydrophobicContact CG-CG 3.92Å; R103-E246 WeakPolarHBondContact CG-OE1 3.31Å
104T87.4Confident92.8Very high38 Ų3817.8 Ų17.823%0.23310%0.1CC..THydrogen-bonded Turntrans-55.8136.1169.8-56.20000109.5N106 T128 G211 N213T104-N106 VanDerWaalsContact C-N 3.31Å; T104-N106 PolarHBondContact O-N 3.48Å; T104-T128 HydrophobicContact CG2-CG2 3.26Å; T104-G211 WeakPolarHBondContact OG1-CA 3.32Å; T104-N213 PolarHBondContact N-OD1 2.84Å; T104-N213 PolarHBondContact OG1-OD1 3.04Å
105S87Confident92.9Very high84 Ų8416.6 Ų16.659%0.5879%0.093SC*.THydrogen-bonded Turntrans70.77.2-179.8-51.50000117.4R103 G107R103-S105 PolarHBondContact O-N 3.39Å; S105-G107 PolarHBondContact O-N 3.13Å
106N91.4Very high92.7Very high10 Ų1014.5 Ų14.55%0.0538%0.084CC..SBendtrans-71.2-13.1167.3-71.68000113.2R103 T104 V235 E246 N267R103-N106 PolarHBondContact N-ND2 3.33Å; R103-N106 PolarHBondContact O-N 2.88Å; T104-N106 VanDerWaalsContact C-N 3.31Å; T104-N106 PolarHBondContact O-N 3.48Å; N106-V235 HydrophobicContact CB-CG1 4.41Å; N106-V235 VanDerWaalsContact CB-O 3.31Å; N106-V235 WeakPolarHBondContact CB-O 3.44Å; N106-V235 PolarHBondContact ND2-O 2.85Å; N106-E246 PolarHBondContact ND2-OE1 3.1Å; N106-N267 PolarHBondContact O-ND2 3.35Å
107G91.5Very high92.2Very high16 Ų1614.8 Ų14.817%0.1659%0.086CC..  trans94.327176.600000115.6S105 S109 T110 V111S105-G107 PolarHBondContact O-N 3.13Å; G107-S109 PolarHBondContact O-N 2.94Å; G107-T110 CarbonylContact O-C 3.59Å; G107-T110 WeakPolarHBondContact O-CA 3.28Å; G107-T110 VanDerWaalsContact O-CB 3.3Å; G107-T110 WeakPolarHBondContact O-CB 3.29Å; G107-T110 PolarHBondContact O-N 3.41Å; G107-T110 VanDerWaalsContact O-N 3.08Å; G107-V111 WeakPolarHBondContact O-CG2 3.1Å; G107-V111 PolarHBondContact O-N 3.08Å
108K93.2Very high91.6Very high11 Ų1114.9 Ų14.95%0.0489%0.088CC..Hα-helixtrans-48.1-59174-63.4-173-61.6-73.10113.2F101 G102 R103 T110 V111 I112 S209 V235F101-K108 VanDerWaalsContact C-CD 3.5Å; G102-K108 PolarHBondContact O-NZ 3.44Å; R103-K108 PolarHBondContact O-NZ 2.91Å; R103-K108 VanDerWaalsContact O-NZ 3.13Å; K108-T110 PolarHBondContact O-N 3.27Å; K108-V111 WeakPolarHBondContact O-CB 3.3Å; K108-V111 PolarHBondContact O-N 3.38Å; K108-I112 PolarHBondContact O-N 3.47Å; K108-S209 WeakPolarHBondContact CE-O 3.37Å; K108-V235 HydrophobicContact CG-CB 3.95Å; K108-V235 HydrophobicContact CG-CG2 4.15Å
109S92.1Very high90.9Very high12 Ų1215.9 Ų15.98%0.0849%0.093CC..Hα-helixtrans-62.8-28.5179.6-37.80000112.1G107 N113 T129 D208G107-S109 PolarHBondContact O-N 2.94Å; S109-N113 VanDerWaalsContact O-CB 3.31Å; S109-N113 WeakPolarHBondContact O-CB 3.23Å; S109-N113 PolarHBondContact O-N 3.49Å; S109-N113 PolarHBondContact O-ND2 2.94Å; S109-T129 PolarHBondContact OG-OG1 3.46Å; S109-D208 WeakPolarHBondContact CB-OD2 3.42Å; S109-D208 PolarHBondContact OG-OD2 2.59Å
110T92.6Very high90.4Very high27 Ų2716 Ų1617%0.1669%0.093CC..Hα-helixtrans-69.3-40.7173-48.10000111.8G107 K108 N113 A114 A315 R316 L319G107-T110 CarbonylContact O-C 3.59Å; G107-T110 WeakPolarHBondContact O-CA 3.28Å; G107-T110 VanDerWaalsContact O-CB 3.3Å; G107-T110 WeakPolarHBondContact O-CB 3.29Å; G107-T110 PolarHBondContact O-N 3.41Å; G107-T110 VanDerWaalsContact O-N 3.08Å; K108-T110 PolarHBondContact O-N 3.27Å; T110-N113 PolarHBondContact O-N 2.9Å; T110-A114 WeakPolarHBondContact O-CB 3.42Å; T110-A114 PolarHBondContact O-N 3.47Å; T110-A315 HydrophobicContact CG2-CB 3.97Å; T110-R316 HydrophobicContact CG2-CB 4.43Å; T110-L319 HydrophobicContact CG2-CD2 4.21Å
111V95.4Very high89.9Confident0 Ų016 Ų160%09%0.093CC..Hα-helixtrans-61.3-48.2173.4173.30000110.1F100 G107 K108 N113 A114 M115 V235 I265 A315 F363F100-V111 HydrophobicContact CD1-CG1 4.39Å; F100-V111 HydrophobicContact CE1-CG1 3.89Å; G107-V111 WeakPolarHBondContact O-CG2 3.1Å; G107-V111 PolarHBondContact O-N 3.08Å; K108-V111 WeakPolarHBondContact O-CB 3.3Å; K108-V111 PolarHBondContact O-N 3.38Å; V111-N113 PolarHBondContact O-N 3.3Å; V111-A114 WeakPolarHBondContact O-CB 3.42Å; V111-A114 PolarHBondContact O-N 3.03Å; V111-A114 VanDerWaalsContact O-N 3.12Å; V111-M115 HydrophobicContact CG1-SD 4.2Å; V111-M115 WeakPolarHBondContact O-CG 3.38Å; V111-M115 PolarHBondContact O-N 3.05Å; V111-V235 HydrophobicContact CG2-CG1 3.91Å; V111-V235 HydrophobicContact CG2-CG2 4.19Å; V111-I265 HydrophobicContact CG1-CD1 3.92Å; V111-A315 HydrophobicContact CB-CB 4.31Å; V111-A315 HydrophobicContact CG2-CB 3.66Å; V111-F363 HydrophobicContact CG1-CE2 4.41Å; V111-F363 HydrophobicContact CG1-CZ 4.45Å
112I94.9Very high89.2Confident0 Ų016.2 Ų16.20%010%0.095CC..Hα-helixtrans-60.5-48178.4-65.5170.8000110.8F100 K108 A114 M115 L116 L121 I135 L206 D208F100-I112 HydrophobicContact CB-CD1 4.08Å; F100-I112 HydrophobicContact CD1-CD1 4.39Å; F100-I112 HydrophobicContact CD1-CG1 3.94Å; F100-I112 HydrophobicContact CD2-CD1 3.66Å; F100-I112 HydrophobicContact CD2-CG1 3.72Å; F100-I112 HydrophobicContact CE1-CG1 3.99Å; F100-I112 HydrophobicContact CE2-CD1 4.19Å; F100-I112 HydrophobicContact CE2-CG1 3.8Å; F100-I112 HydrophobicContact CG-CD1 3.79Å; F100-I112 HydrophobicContact CG-CG1 3.8Å; F100-I112 HydrophobicContact CZ-CG1 3.93Å; K108-I112 PolarHBondContact O-N 3.47Å; I112-A114 VanDerWaalsContact C-N 3.27Å; I112-A114 PolarHBondContact O-N 3.46Å; I112-M115 PolarHBondContact O-N 3.01Å; I112-M115 VanDerWaalsContact O-N 3.13Å; I112-L116 HydrophobicContact CG2-CD1 4.04Å; I112-L116 HydrophobicContact CG2-CG 4.33Å; I112-L116 WeakPolarHBondContact O-CG 3.49Å; I112-L116 PolarHBondContact O-N 2.78Å; I112-L121 HydrophobicContact CB-CD1 4.05Å; I112-L121 HydrophobicContact CD1-CD1 3.98Å; I112-L121 HydrophobicContact CG2-CD1 3.74Å; I112-L121 HydrophobicContact CG2-CG 4.47Å; I112-I135 HydrophobicContact CG2-CD1 3.56Å; I112-L206 HydrophobicContact CG2-CD1 4.12Å; I112-D208 HydrophobicContact CD1-CB 3.46Å; I112-D208 VanDerWaalsContact CD1-CB 3.46Å
113N91.8Very high88.5Confident0 Ų016.7 Ų16.70%010%0.098CC..Hα-helixtrans-58.9-38.8175.4-76.4-21.2000112.2S109 T110 V111 L116 G117 S118 L120 L121 S123 L319S109-N113 VanDerWaalsContact O-CB 3.31Å; S109-N113 WeakPolarHBondContact O-CB 3.23Å; S109-N113 PolarHBondContact O-N 3.49Å; S109-N113 PolarHBondContact O-ND2 2.94Å; T110-N113 PolarHBondContact O-N 2.9Å; V111-N113 PolarHBondContact O-N 3.3Å; N113-L116 PolarHBondContact O-N 3.07Å; N113-G117 PolarHBondContact O-N 3.08Å; N113-S118 WeakPolarHBondContact CA-O 3.37Å; N113-S118 VanDerWaalsContact CB-O 3.31Å; N113-S118 WeakPolarHBondContact CB-O 3.49Å; N113-S118 PolarHBondContact O-N 3.26Å; N113-S118 PolarHBondContact OD1-O 3.35Å; N113-L120 PolarHBondContact OD1-N 2.9Å; N113-L120 VanDerWaalsContact OD1-N 3.08Å; N113-L121 PolarHBondContact ND2-O 3.47Å; N113-L121 PolarHBondContact OD1-N 3.45Å; N113-S123 PolarHBondContact ND2-OG 3.47Å; N113-L319 HydrophobicContact CB-CD1 3.87Å; N113-L319 HydrophobicContact CB-CD2 3.87Å; N113-L319 HydrophobicContact CB-CG 4.5Å
114A91.9Very high87.6Confident0 Ų014.2 Ų14.20%010%0.1CC..Hα-helixtrans-63.2-42.7175.800000111.5T110 V111 I112 G117 A315 V318 L319 R322 F363T110-A114 WeakPolarHBondContact O-CB 3.42Å; T110-A114 PolarHBondContact O-N 3.47Å; V111-A114 WeakPolarHBondContact O-CB 3.42Å; V111-A114 PolarHBondContact O-N 3.03Å; V111-A114 VanDerWaalsContact O-N 3.12Å; I112-A114 VanDerWaalsContact C-N 3.27Å; I112-A114 PolarHBondContact O-N 3.46Å; A114-G117 PolarHBondContact O-N 2.86Å; A114-A315 HydrophobicContact CB-CB 4.44Å; A114-V318 HydrophobicContact CB-CB 4.16Å; A114-V318 HydrophobicContact CB-CG1 3.98Å; A114-L319 HydrophobicContact CB-CB 4.11Å; A114-R322 WeakPolarHBondContact O-CD 3.4Å; A114-R322 PolarHBondContact O-NH1 2.98Å; A114-F363 HydrophobicContact CB-CE1 4.37Å; A114-F363 HydrophobicContact CB-CE2 4.21Å; A114-F363 HydrophobicContact CB-CZ 3.73Å
115M92.6Very high86.7Confident3 Ų320.2 Ų20.22%0.01513%0.13CC..Hα-helixtrans-65.6-38.7175.1-67.1176.873.700112.4F100 V111 I112 G117 L199 F363 F366 F370F100-M115 HydrophobicContact CE1-SD 3.85Å; F100-M115 HydrophobicContact CZ-CE 4.28Å; F100-M115 HydrophobicContact CZ-SD 3.56Å; F100-M115 VanDerWaalsContact CZ-SD 3.56Å; V111-M115 HydrophobicContact CG1-SD 4.2Å; V111-M115 WeakPolarHBondContact O-CG 3.38Å; V111-M115 PolarHBondContact O-N 3.05Å; I112-M115 PolarHBondContact O-N 3.01Å; I112-M115 VanDerWaalsContact O-N 3.13Å; M115-G117 VanDerWaalsContact C-N 3.27Å; M115-G117 PolarHBondContact O-N 3.4Å; M115-L199 HydrophobicContact CB-CD1 4.11Å; M115-L199 HydrophobicContact CE-CD1 3.8Å; M115-F363 HydrophobicContact CG-CE1 4.07Å; M115-F363 HydrophobicContact CG-CZ 3.85Å; M115-F366 HydrophobicContact CE-CE1 4.13Å; M115-F366 HydrophobicContact CE-CZ 4.17Å; M115-F366 HydrophobicContact CG-CE1 4.37Å; M115-F366 HydrophobicContact SD-CE1 3.87Å; M115-F366 HydrophobicContact SD-CZ 4.09Å; M115-F370 HydrophobicContact CE-CD1 3.71Å; M115-F370 HydrophobicContact CE-CE1 3.4Å; M115-F370 HydrophobicContact CE-CZ 4.04Å
116L89.4Confident85.7Confident5 Ų518.5 Ų18.53%0.02613%0.126CC..Hα-helixtrans-68.5-27.3174-68.4176.2000112.6I112 N113 S118 L120 I135 C197 L200 L206I112-L116 HydrophobicContact CG2-CD1 4.04Å; I112-L116 HydrophobicContact CG2-CG 4.33Å; I112-L116 WeakPolarHBondContact O-CG 3.49Å; I112-L116 PolarHBondContact O-N 2.78Å; N113-L116 PolarHBondContact O-N 3.07Å; L116-S118 PolarHBondContact O-N 3.25Å; L116-L120 HydrophobicContact CD1-CB 3.96Å; L116-L120 HydrophobicContact CD1-CD2 3.73Å; L116-L120 HydrophobicContact CD1-CG 4.47Å; L116-I135 HydrophobicContact CD1-CD1 4.15Å; L116-C197 HydrophobicContact CD2-CB 4.19Å; L116-L200 HydrophobicContact CD2-CD1 3.99Å; L116-L200 HydrophobicContact CD2-CD2 4.37Å; L116-L200 HydrophobicContact CD2-CG 4.11Å; L116-L206 HydrophobicContact CD2-CD1 3.83Å; L116-L206 HydrophobicContact CG-CD1 4.23Å
117G84.9Confident84.7Confident5 Ų520.6 Ų20.65%0.05214%0.135CC..THydrogen-bonded Turntrans74.213.5-172.800000113.7N113 A114 M115 N326N113-G117 PolarHBondContact O-N 3.08Å; A114-G117 PolarHBondContact O-N 2.86Å; M115-G117 VanDerWaalsContact C-N 3.27Å; M115-G117 PolarHBondContact O-N 3.4Å; G117-N326 PolarHBondContact O-ND2 2.76Å
118S82.5Confident83.6Confident13 Ų1321.6 Ų21.69%0.09114%0.138CC..SBendtrans-144.4154.918067.70000110.8N113 L116 L120N113-S118 WeakPolarHBondContact CA-O 3.37Å; N113-S118 VanDerWaalsContact CB-O 3.31Å; N113-S118 WeakPolarHBondContact CB-O 3.49Å; N113-S118 PolarHBondContact O-N 3.26Å; N113-S118 PolarHBondContact OD1-O 3.35Å; L116-S118 PolarHBondContact O-N 3.25Å; S118-L120 PolarHBondContact O-N 3.31Å
119K82.2Confident82.9Confident21 Ų2121.8 Ų21.89%0.09114%0.14CC..  trans-8879.4177.5-160.7-178.3-167.5-165.60110.1I342 G343 S344K119-I342 WeakPolarHBondContact CD-O 3.43Å; K119-I342 WeakPolarHBondContact CE-O 3.44Å; K119-I342 PolarHBondContact NZ-O 3.33Å; K119-G343 PolarHBondContact NZ-O 3.25Å; K119-S344 PolarHBondContact NZ-O 3Å
120L84.4Confident82.3Confident3 Ų322.1 Ų22.12%0.01614%0.143CC..  trans-90.2-51.3-179.3179.361000111.6N113 L116 S118 I135 I167 I190 W192N113-L120 PolarHBondContact OD1-N 2.9Å; N113-L120 VanDerWaalsContact OD1-N 3.08Å; L116-L120 HydrophobicContact CD1-CB 3.96Å; L116-L120 HydrophobicContact CD1-CD2 3.73Å; L116-L120 HydrophobicContact CD1-CG 4.47Å; S118-L120 PolarHBondContact O-N 3.31Å; L120-I135 HydrophobicContact CD2-CG1 4.33Å; L120-I135 HydrophobicContact CD2-CG2 4.06Å; L120-I167 HydrophobicContact CD1-CD1 4.03Å; L120-I167 HydrophobicContact CD1-CG1 3.8Å; L120-I190 HydrophobicContact CD1-CG2 4.5Å; L120-I190 HydrophobicContact CD2-CG2 4.02Å; L120-W192 HydrophobicContact CD1-CD2 4.11Å; L120-W192 HydrophobicContact CD1-CE3 3.64Å; L120-W192 HydrophobicContact CD1-CH2 4.19Å; L120-W192 HydrophobicContact CD1-CZ3 3.74Å; L120-W192 HydrophobicContact CD2-CB 4.24Å; L120-W192 HydrophobicContact CD2-CD2 4.09Å; L120-W192 HydrophobicContact CD2-CE3 4.36Å; L120-W192 HydrophobicContact CD2-CG 4.07Å
121L85.9Confident82Confident0 Ų020.9 Ų20.90%014%0.135CC..SBendtrans-84.1145.7-178.1-59.4-172.6000111.7I112 N113 S123 L133 I135 I190 D208I112-L121 HydrophobicContact CB-CD1 4.05Å; I112-L121 HydrophobicContact CD1-CD1 3.98Å; I112-L121 HydrophobicContact CG2-CD1 3.74Å; I112-L121 HydrophobicContact CG2-CG 4.47Å; N113-L121 PolarHBondContact ND2-O 3.47Å; N113-L121 PolarHBondContact OD1-N 3.45Å; L121-S123 PolarHBondContact O-N 3.44Å; L121-S123 VanDerWaalsContact O-N 3.08Å; L121-S123 PolarHBondContact O-OG 3.49Å; L121-L133 HydrophobicContact CD1-CD1 4.48Å; L121-L133 HydrophobicContact CD2-CB 4.43Å; L121-L133 HydrophobicContact CD2-CD1 3.68Å; L121-I135 HydrophobicContact CD1-CD1 3.88Å; L121-I135 HydrophobicContact CD2-CD1 4.01Å; L121-I135 HydrophobicContact CD2-CG1 4.36Å; L121-I135 HydrophobicContact CG-CD1 4.06Å; L121-I190 HydrophobicContact CD2-CD1 3.77Å; L121-D208 HydrophobicContact CD1-CB 3.91Å
122P79.8Confident81.7Confident4 Ų420.9 Ų20.93%0.02614%0.135CC..  trans-58.2116174.7-23.436.3000110.8H127 V170 A174 I342P122-H127 HydrophobicContact CB-CB 4.39Å; P122-V170 HydrophobicContact CG-CG1 4.5Å; P122-A174 HydrophobicContact CG-CB 4.38Å; P122-I342 HydrophobicContact CB-CG2 4.18Å; P122-I342 HydrophobicContact CG-CG2 4.2Å
123S76.8Confident81.5Confident10 Ų1020.9 Ų20.97%0.0714%0.135CC..  trans-141.3130.1-178.449.50000110N113 L121 G343N113-S123 PolarHBondContact ND2-OG 3.47Å; L121-S123 PolarHBondContact O-N 3.44Å; L121-S123 VanDerWaalsContact O-N 3.08Å; L121-S123 PolarHBondContact O-OG 3.49Å; S123-G343 WeakPolarHBondContact O-CA 3.43Å
124G71.4Confident81.5Confident37 Ų3721.3 Ų21.338%0.38114%0.137SC..SBendtrans148.4178-177.800000112.9G126 H127G124-G126 PolarHBondContact O-N 2.65Å; G124-H127 PolarHBondContact O-N 3.21Å
125L68.9Low81.6Confident163 Ų16321.3 Ų21.385%0.85314%0.137SC*.THydrogen-bonded Turntrans-61.7131176.3-103.2137.8000110.4H127L125-H127 PolarHBondContact O-CD2 3.47Å; L125-H127 PolarHBondContact O-N 2.71Å
126G67.1Low81.6Confident49 Ų4922.2 Ų22.251%0.50514%0.141SC..THydrogen-bonded Turntrans79.3-12.3-177.700000115.2G124 H175G124-G126 PolarHBondContact O-N 2.65Å; G126-H175 PolarHBondContact O-CE1 3.33Å; G126-H175 VanDerWaalsContact O-CE1 3.23Å
127H68.6Low81.7Confident53 Ų5322.9 Ų22.925%0.24515%0.149CC..  trans-85.6115.7177.7-62.7-74.1000110.6P122 G124 L125 H175 G343P122-H127 HydrophobicContact CB-CB 4.39Å; G124-H127 PolarHBondContact O-N 3.21Å; L125-H127 PolarHBondContact O-CD2 3.47Å; L125-H127 PolarHBondContact O-N 2.71Å; H127-H175 AromaticContact CE1-CD2 3.78Å; H127-H175 AromaticContact CE1-NE2 3.37Å; H127-H175 PolarHBondContact CE1-NE2 3.49Å; H127-H175 AromaticContact CG-NE2 3.73Å; H127-H175 AromaticContact ND1-CD2 3.14Å; H127-H175 PolarHBondContact ND1-CD2 3.38Å; H127-H175 AromaticContact ND1-CE1 3.7Å; H127-H175 AromaticContact ND1-NE2 2.8Å; H127-H175 PolarHBondContact ND1-NE2 2.89Å; H127-G343 WeakPolarHBondContact NE2-CA 3.34Å
128T69.4Low82Confident38 Ų3823.4 Ų23.423%0.23315%0.152CC..  trans-129.8130.7179.354.10000109.8T104 A176T104-T128 HydrophobicContact CG2-CG2 3.26Å; T128-A176 WeakPolarHBondContact O-CB 3.32Å; T128-A176 PolarHBondContact O-N 2.89Å; T128-A176 WeakPolarHBondContact OG1-CB 3.44Å
129T79.1Confident82.2Confident14 Ų1430.5 Ų30.59%0.08619%0.188CC..BIsolated β-bridgetrans-73.1119.8177.4-510000109.5S109 C131 L133 D208S109-T129 PolarHBondContact OG-OG1 3.46Å; T129-C131 WeakPolarHBondContact CG2-O 3.32Å; T129-L133 HydrophobicContact CG2-CD1 3.84Å; T129-L133 HydrophobicContact CG2-CG 4.04Å; T129-D208 PolarHBondContact OG1-OD2 3.21Å
130S79.7Confident82.3Confident20 Ų2034.4 Ų34.414%0.1421%0.207CC..  trans-94.1-20.6-176.453.90000114.7A174 T184S130-A174 PolarHBondContact N-O 3.17Å; S130-A174 VanDerWaalsContact N-O 3.15Å; S130-A174 PolarHBondContact OG-O 3.1Å; S130-T184 WeakPolarHBondContact O-CA 3.23Å
131C84.5Confident82.1Confident0 Ų040.7 Ų40.70%024%0.241CC..SBendtrans-141170.1-173.956.60000110.6T129 L182 T186T129-C131 WeakPolarHBondContact CG2-O 3.32Å; C131-L182 HydrophobicContact CB-CB 4.37Å; C131-T186 WeakPolarHBondContact CB-O 3.43Å
132F89.2Confident81.8Confident0 Ų043.7 Ų43.70%026%0.262CS..EExtended strand (participates in β ladder)trans-73135177.9-77.1-94.3000111.2F101 T184 T186 L187 L188 L207 D208 P210 W221 H225F101-F132 HydrophobicContact CE1-CE1 4.32Å; F132-T184 WeakPolarHBondContact CD2-O 3.27Å; F132-T186 PolarHBondContact N-O 3.23Å; F132-L187 HydrophobicContact CB-CD1 3.56Å; F132-L188 PolarHBondContact O-N 2.86Å; F132-L207 HydrophobicContact CB-CD1 4.29Å; F132-L207 HydrophobicContact CD1-CD1 4.01Å; F132-L207 HydrophobicContact CD1-CD2 4.02Å; F132-L207 HydrophobicContact CD1-CG 4.03Å; F132-L207 HydrophobicContact CE1-CD2 4.3Å; F132-D208 WeakPolarHBondContact CA-O 3.49Å; F132-P210 HydrophobicContact CD2-CG 4.13Å; F132-P210 HydrophobicContact CE2-CG 4.12Å; F132-W221 HydrophobicContact CE2-CB 4.29Å; F132-W221 AromaticContact CE2-CD2 3.68Å; F132-W221 HydrophobicContact CE2-CD2 3.68Å; F132-W221 AromaticContact CE2-CE2 3.94Å; F132-W221 HydrophobicContact CE2-CE3 4.13Å; F132-W221 AromaticContact CE2-CG 3.74Å; F132-W221 HydrophobicContact CE2-CG 3.74Å; F132-W221 HydrophobicContact CZ-CB 3.86Å; F132-W221 AromaticContact CZ-CD2 3.58Å; F132-W221 HydrophobicContact CZ-CD2 3.58Å; F132-W221 AromaticContact CZ-CE3 3.66Å; F132-W221 HydrophobicContact CZ-CE3 3.66Å; F132-W221 AromaticContact CZ-CG 3.68Å; F132-W221 HydrophobicContact CZ-CG 3.68Å; F132-W221 HydrophobicContact CZ-CZ3 4.43Å; F132-H225 HydrophobicContact CD1-CB 4.31Å; F132-H225 AromaticContact CD2-CD2 3.58Å; F132-H225 HydrophobicContact CE1-CB 4.32Å; F132-H225 AromaticContact CE2-CD2 3.78Å; F132-H225 AromaticContact CG-CD2 3.8Å
133L90.8Very high81.9Confident0 Ų043.8 Ų43.80%026%0.263CS..EExtended strand (participates in β ladder)trans-119.2114.6176.8-49.1177.7000109.3L121 T129 A174 L188 I190 L207 D208L121-L133 HydrophobicContact CD1-CD1 4.48Å; L121-L133 HydrophobicContact CD2-CB 4.43Å; L121-L133 HydrophobicContact CD2-CD1 3.68Å; T129-L133 HydrophobicContact CG2-CD1 3.84Å; T129-L133 HydrophobicContact CG2-CG 4.04Å; L133-A174 HydrophobicContact CD1-CB 3.76Å; L133-A174 HydrophobicContact CD2-CB 3.62Å; L133-A174 HydrophobicContact CG-CB 4.31Å; L133-L188 WeakPolarHBondContact CA-O 3.28Å; L133-L188 HydrophobicContact CD2-CB 3.85Å; L133-L188 HydrophobicContact CD2-CD1 3.78Å; L133-L188 HydrophobicContact CD2-CG 4.2Å; L133-I190 HydrophobicContact CB-CD1 4.18Å; L133-L207 CarbonylContact O-C 3.59Å; L133-L207 WeakPolarHBondContact O-CA 3.2Å; L133-D208 HydrophobicContact CB-CB 4.16Å; L133-D208 PolarHBondContact N-O 2.92Å; L133-D208 PolarHBondContact O-N 3.14Å
134E93.4Very high82.4Confident10 Ų1045.1 Ų45.15%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-104.3113.2177.2-177.9176.888.600109.9K97 Q136 L187 L188 K189 I190 V205 L207K97-E134 IonicContact NZ-OE2 3.53Å; E134-Q136 HydrophobicContact CG-CG 4.19Å; E134-Q136 PolarHBondContact OE1-NE2 2.86Å; E134-L187 HydrophobicContact CB-CD1 3.84Å; E134-L187 HydrophobicContact CB-CG 4.42Å; E134-L188 PolarHBondContact N-O 2.97Å; E134-K189 HydrophobicContact CB-CG 4.44Å; E134-K189 CarbonylContact O-C 3.59Å; E134-K189 WeakPolarHBondContact O-CA 3.41Å; E134-K189 WeakPolarHBondContact OE1-CD 3.48Å; E134-K189 WeakPolarHBondContact OE1-CE 3.48Å; E134-K189 IonicContact OE1-NZ 3.71Å; E134-K189 PolarHBondContact OE1-NZ 3.19Å; E134-I190 PolarHBondContact O-N 2.93Å; E134-V205 HydrophobicContact CG-CG1 3.37Å; E134-L207 HydrophobicContact CB-CD1 3.92Å
135I93.6Very high83Confident0 Ų043.4 Ų43.40%025%0.249CC..EExtended strand (participates in β ladder)trans-97.5123.9-179.4-55.9147.7000109.1I112 L116 L120 L121 I190 W192 L200 V205 L206I112-I135 HydrophobicContact CG2-CD1 3.56Å; L116-I135 HydrophobicContact CD1-CD1 4.15Å; L120-I135 HydrophobicContact CD2-CG1 4.33Å; L120-I135 HydrophobicContact CD2-CG2 4.06Å; L121-I135 HydrophobicContact CD1-CD1 3.88Å; L121-I135 HydrophobicContact CD2-CD1 4.01Å; L121-I135 HydrophobicContact CD2-CG1 4.36Å; L121-I135 HydrophobicContact CG-CD1 4.06Å; I135-I190 CarbonylContact C-O 3.49Å; I135-I190 WeakPolarHBondContact CA-O 3.22Å; I135-I190 HydrophobicContact CG1-CB 4.21Å; I135-I190 HydrophobicContact CG1-CD1 4.29Å; I135-W192 HydrophobicContact CG2-CB 4.24Å; I135-L200 HydrophobicContact CG2-CD1 3.85Å; I135-L200 HydrophobicContact CG2-CD2 3.99Å; I135-V205 WeakPolarHBondContact O-CA 3.4Å; I135-L206 HydrophobicContact CB-CB 4.37Å; I135-L206 HydrophobicContact CD1-CB 4.26Å; I135-L206 PolarHBondContact N-O 3.39Å; I135-L206 PolarHBondContact O-N 3.38Å
136Q92.8Very high83.8Confident22 Ų2236.9 Ų36.910%0.10322%0.215CC..EExtended strand (participates in β ladder)trans-125.8156.5178-52.5-164.1600111.2E134 I190 F191 W192 V205E134-Q136 HydrophobicContact CG-CG 4.19Å; E134-Q136 PolarHBondContact OE1-NE2 2.86Å; Q136-I190 PolarHBondContact N-O 3.36Å; Q136-F191 HydrophobicContact CB-CD1 4.13Å; Q136-F191 HydrophobicContact CB-CE1 4.08Å; Q136-F191 WeakPolarHBondContact O-CA 3.32Å; Q136-W192 PolarHBondContact O-N 2.94Å; Q136-V205 HydrophobicContact CG-CG1 4.1Å; Q136-V205 HydrophobicContact CG-CG2 3.96Å
137G91.2Very high84.1Confident19 Ų1937.2 Ų37.220%0.19620%0.204CC..EExtended strand (participates in β ladder)trans-73.3145.4172.300000113W192 S194G137-W192 CarbonylContact C-O 3.46Å; G137-W192 WeakPolarHBondContact CA-O 3.38Å; G137-S194 VanDerWaalsContact CA-OG 3.26Å; G137-S194 WeakPolarHBondContact CA-OG 2.99Å
138T90Very high84.1Confident16 Ų1636.6 Ų36.610%0.09821%0.208CC..EExtended strand (participates in β ladder)trans-131.7149166.9-179.90000110.7Q140 Y144 F191 W192 P193 S194T138-Q140 HydrophobicContact CG2-CB 4.25Å; T138-Q140 PolarHBondContact OG1-N 2.92Å; T138-Y144 HydrophobicContact CG2-CE1 4.28Å; T138-F191 HydrophobicContact CG2-CB 4.06Å; T138-W192 PolarHBondContact N-O 2.65Å; T138-P193 HydrophobicContact CG2-CG 4.46Å; T138-P193 WeakPolarHBondContact O-CA 3.39Å; T138-S194 PolarHBondContact N-OG 3.15Å; T138-S194 PolarHBondContact O-N 2.69Å; T138-S194 PolarHBondContact O-OG 2.93Å
139D87.1Confident83.5Confident161 Ų16139.6 Ų39.686%0.86122%0.223SC*.SBendtrans-81.2-5.7173.8-63.8-34.8000112.5
140Q85.3Confident81.6Confident103 Ų10344.9 Ų44.948%0.48126%0.26SS..SBendtrans-72.9147.2174.9-63.2-176.59.300111.5T138 S142 P193T138-Q140 HydrophobicContact CG2-CB 4.25Å; T138-Q140 PolarHBondContact OG1-N 2.92Å; Q140-S142 VanDerWaalsContact C-N 3.27Å; Q140-S142 PolarHBondContact O-N 2.86Å; Q140-P193 VanDerWaalsContact O-CB 3.3Å; Q140-P193 WeakPolarHBondContact O-CB 3.44Å; Q140-P193 WeakPolarHBondContact O-CG 3.1Å
141D78.6Confident79.5Confident136 Ų13647 Ų4773%0.72729%0.285SS*.SBendtrans-69.4-23.3-179.7-69.2-33.7000113.4P193D141-P193 WeakPolarHBondContact O-CG 3.08Å
142S80.3Confident76.8Confident63 Ų6353.2 Ų53.244%0.44132%0.323SS..SBendtrans-117.8135.9179.559.50000111.3Q140Q140-S142 VanDerWaalsContact C-N 3.27Å; Q140-S142 PolarHBondContact O-N 2.86Å
143G82.9Confident74.1Confident6 Ų660.9 Ų60.96%0.06236%0.364CS..  trans-72.8154.7174.600000113.2F191G143-F191 CarbonylContact C-O 3.6Å; G143-F191 WeakPolarHBondContact CA-O 3.39Å
144Y85.9Confident71.4Confident38 Ų3865.9 Ų65.915%0.14941%0.406CS..EExtended strand (participates in β ladder)trans-145164.4177.462.2-89.6000111.5T138 L146 A164 R165 F191T138-Y144 HydrophobicContact CG2-CE1 4.28Å; Y144-L146 HydrophobicContact CD2-CG 4.12Å; Y144-L146 HydrophobicContact CE2-CD1 3.95Å; Y144-L146 HydrophobicContact CE2-CG 4.02Å; Y144-A164 HydrophobicContact CD2-CB 4.24Å; Y144-R165 WeakPolarHBondContact CA-O 3.4Å; Y144-F191 HydrophobicContact CD1-CB 3.89Å; Y144-F191 HydrophobicContact CD2-CB 4Å; Y144-F191 AromaticContact CD2-CD2 3.89Å; Y144-F191 HydrophobicContact CD2-CD2 3.89Å; Y144-F191 HydrophobicContact CD2-CG 4.23Å; Y144-F191 HydrophobicContact CE1-CB 3.52Å; Y144-F191 HydrophobicContact CE1-CG 4.07Å; Y144-F191 HydrophobicContact CE2-CB 3.65Å; Y144-F191 HydrophobicContact CE2-CD1 4.4Å; Y144-F191 AromaticContact CE2-CD2 3.25Å; Y144-F191 HydrophobicContact CE2-CD2 3.25Å; Y144-F191 HydrophobicContact CE2-CE2 4.01Å; Y144-F191 AromaticContact CE2-CG 3.49Å; Y144-F191 HydrophobicContact CE2-CG 3.49Å; Y144-F191 VanDerWaalsContact CE2-CG 3.49Å; Y144-F191 HydrophobicContact CG-CB 4.11Å; Y144-F191 AromaticContact CZ-CD2 3.7Å; Y144-F191 AromaticContact CZ-CG 3.39Å; Y144-F191 PolarHBondContact N-O 3.44Å; Y144-F191 PolarHBondContact O-N 2.97Å; Y144-F191 WeakPolarHBondContact OH-CG 3.48Å
145L84.8Confident68.7Low0 Ų073.5 Ų73.50%044%0.438CS..EExtended strand (participates in β ladder)trans-121.3135.2-179.2176.1143.8000110.7M147 A164 R165 V170 L173 L188 K189 I190L145-M147 HydrophobicContact CD2-CG 4.37Å; L145-A164 WeakPolarHBondContact O-CA 3.45Å; L145-R165 HydrophobicContact CB-CB 4.44Å; L145-R165 HydrophobicContact CD2-CB 4.16Å; L145-R165 PolarHBondContact N-O 3.45Å; L145-R165 PolarHBondContact O-N 3.41Å; L145-V170 HydrophobicContact CD1-CG2 3.63Å; L145-L173 HydrophobicContact CD2-CD1 3.9Å; L145-L188 HydrophobicContact CD1-CB 4.34Å; L145-L188 HydrophobicContact CD1-CD1 4.32Å; L145-K189 CarbonylContact C-O 3.59Å; L145-K189 WeakPolarHBondContact CA-O 3.24Å; L145-I190 HydrophobicContact CD1-CG1 4.22Å
146L84.4Confident65.8Low26 Ų2680.5 Ų80.514%0.13647%0.471CS..EExtended strand (participates in β ladder)trans-119.7137.5171.6-67.7177.3000109.6Y144 I160 Q163 A164 K189 F191Y144-L146 HydrophobicContact CD2-CG 4.12Å; Y144-L146 HydrophobicContact CE2-CD1 3.95Å; Y144-L146 HydrophobicContact CE2-CG 4.02Å; L146-I160 HydrophobicContact CD1-CG2 4.23Å; L146-I160 HydrophobicContact CD2-CG2 4.36Å; L146-Q163 HydrophobicContact CD2-CB 4.02Å; L146-A164 HydrophobicContact CD2-CB 4.08Å; L146-K189 HydrophobicContact CB-CB 4.4Å; L146-K189 PolarHBondContact N-O 3.41Å; L146-K189 PolarHBondContact O-N 2.79Å; L146-F191 HydrophobicContact CB-CE2 4.48Å; L146-F191 HydrophobicContact CD1-CD2 4.25Å; L146-F191 HydrophobicContact CD1-CE2 3.71Å; L146-F191 HydrophobicContact CD1-CZ 4.49Å; L146-F191 HydrophobicContact CG-CD2 4.48Å; L146-F191 HydrophobicContact CG-CE2 4.26Å
147M75.2Confident63.5Low56 Ų5685.8 Ų85.828%0.27651%0.505SS..EExtended strand (participates in β ladder)trans-87.6128.2167.1-58.9-142.3-62.300108.2L145 D149 L182 L188L145-M147 HydrophobicContact CD2-CG 4.37Å; M147-D149 PolarHBondContact O-N 3.45Å; M147-L182 HydrophobicContact SD-CD2 4.01Å; M147-L188 HydrophobicContact CB-CD2 4.13Å; M147-L188 HydrophobicContact CG-CD2 3.48Å; M147-L188 VanDerWaalsContact CG-CD2 3.48Å; M147-L188 HydrophobicContact SD-CD2 3.6Å
148A67.4Low61.1Low40 Ų4088.9 Ų88.933%0.33152%0.524SS..  trans-71.698.6172.600000108.2S150 L187A148-S150 PolarHBondContact O-N 3.43Å; A148-L187 HydrophobicContact CB-CB 4.09Å; A148-L187 HydrophobicContact CB-CD2 4.39Å; A148-L187 HydrophobicContact CB-CG 4.49Å; A148-L187 WeakPolarHBondContact CB-O 3.26Å; A148-L187 PolarHBondContact N-O 3.32Å
149D56.6Low59Low102 Ų10292.7 Ų92.755%0.54554%0.544SS..  trans-59.4131.5177.5-91.1-24.7000110.1M147 G151 Q163M147-D149 PolarHBondContact O-N 3.45Å; D149-G151 VanDerWaalsContact C-N 3.3Å; D149-G151 PolarHBondContact O-N 2.87Å; D149-Q163 PolarHBondContact OD2-NE2 2.92Å
150S40.6Very low57.3Low124 Ų12489 Ų8987%0.86752%0.523SS*.SBendtrans-69.786.7179.6-53.60000109.3A148A148-S150 PolarHBondContact O-N 3.43Å
151G33.8Very low55.6Low64 Ų6488.4 Ų88.466%0.6653%0.53SS*.SBendtrans84.482164.700000116D149D149-G151 VanDerWaalsContact C-N 3.3Å; D149-G151 PolarHBondContact O-N 2.87Å
152T29Very low54.1Low131 Ų13189.8 Ų89.880%0.80453%0.532SS*.  trans-164.8144.8140.518.20000109.6A154T152-A154 PolarHBondContact O-N 3.33Å
153N32Very low53.1Low162 Ų16291.2 Ų91.287%0.86653%0.531SS*.  trans-51.493.3-178.6-64.7-53000112.8K155N153-K155 PolarHBondContact O-N 3.37Å
154A33.5Very low52.4Low105 Ų10592.8 Ų92.887%0.86854%0.544SS*.  trans-72.572.7167.100000109.6T152T152-A154 PolarHBondContact O-N 3.33Å
155K36.9Very low51.9Low169 Ų16996 Ų9674%0.73556%0.555SS**  trans-104.37.2170-104.8-170.9177.3-172.20112.8N153N153-K155 PolarHBondContact O-N 3.37Å
156E34.3Very low51.5Low148 Ų148100 Ų10069%0.69258%0.582SS**  trans-109.6101175.3-67.4-169.8175.400110.4S158E156-S158 PolarHBondContact O-N 2.84Å
157T42.9Very low51Low133 Ų13399.1 Ų99.182%0.81658%0.577SS**THydrogen-bonded Turntrans-60.92.6178.614.80000115.1
158S42.1Very low50.7Low83 Ų83100.7 Ų100.758%0.5859%0.586SS**THydrogen-bonded Turntrans-93.6-21.2-175.843.70000115.5E156E156-S158 PolarHBondContact O-N 2.84Å
159D45.7Very low50.7Low97 Ų9799.8 Ų99.852%0.51958%0.578SS.*SBendtrans-99.31.9-170.9-83-10.8000115.6S161 H162D159-S161 PolarHBondContact O-N 2.96Å; D159-S161 VanDerWaalsContact O-N 3.14Å; D159-H162 PolarHBondContact O-N 2.72Å; D159-H162 VanDerWaalsContact O-N 3.13Å
160I50.7Low51.3Low84 Ų8495 Ų9543%0.43155%0.552SS.*Hα-helixtrans-59.7-31.3-176.8-59.7168.9000111.7L146 H162 Q163 A164L146-I160 HydrophobicContact CD1-CG2 4.23Å; L146-I160 HydrophobicContact CD2-CG2 4.36Å; I160-H162 VanDerWaalsContact C-N 3.31Å; I160-H162 PolarHBondContact O-N 2.97Å; I160-Q163 PolarHBondContact O-N 2.96Å; I160-A164 WeakPolarHBondContact O-CB 3.2Å; I160-A164 PolarHBondContact O-N 3.44Å; I160-A164 VanDerWaalsContact O-N 3.15Å
161S49.9Very low52.6Low89 Ų8989.8 Ų89.862%0.62252%0.518SS*.Hα-helixtrans-67.1-26.6-179.455.90000113.9D159D159-S161 PolarHBondContact O-N 2.96Å; D159-S161 VanDerWaalsContact O-N 3.14Å
162H47.6Very low54.2Low165 Ų16593.6 Ų93.676%0.76452%0.519SS*.Hα-helixtrans-86.8-20.3-179.7-74.8-65.5000113.5D159 I160D159-H162 PolarHBondContact O-N 2.72Å; D159-H162 VanDerWaalsContact O-N 3.13Å; I160-H162 VanDerWaalsContact C-N 3.31Å; I160-H162 PolarHBondContact O-N 2.97Å
163Q59.5Low55.9Low94 Ų9487.9 Ų87.944%0.43948%0.484SS..Hα-helixtrans-97.2-17.7176.9-67.3-168.5-14.900113.6L146 D149 I160 R165L146-Q163 HydrophobicContact CD2-CB 4.02Å; D149-Q163 PolarHBondContact OD2-NE2 2.92Å; I160-Q163 PolarHBondContact O-N 2.96Å; Q163-R165 PolarHBondContact O-N 3.13Å
164A68.5Low57.3Low38 Ų3880.2 Ų80.231%0.31444%0.443SS..PPolyproline II helixtrans-69117.918000000112Y144 L145 L146 I160Y144-A164 HydrophobicContact CD2-CB 4.24Å; L145-A164 WeakPolarHBondContact O-CA 3.45Å; L146-A164 HydrophobicContact CD2-CB 4.08Å; I160-A164 WeakPolarHBondContact O-CB 3.2Å; I160-A164 PolarHBondContact O-N 3.44Å; I160-A164 VanDerWaalsContact O-N 3.15Å
165R73.9Confident58.7Low105 Ų10576.3 Ų76.340%0.39641%0.406SS..EExtended strand (participates in β ladder)trans-100.2149173.6-65.7-174.9-179.2-179.20.6110.7Y144 L145 Q163Y144-R165 WeakPolarHBondContact CA-O 3.4Å; L145-R165 HydrophobicContact CB-CB 4.44Å; L145-R165 HydrophobicContact CD2-CB 4.16Å; L145-R165 PolarHBondContact N-O 3.45Å; L145-R165 PolarHBondContact O-N 3.41Å; Q163-R165 PolarHBondContact O-N 3.13Å
166P76.5Confident59.6Low85 Ų8570.4 Ų70.455%0.55239%0.389SS*.EExtended strand (participates in β ladder)trans-63.2144.4174.925.2-31.9000110.8D168 S169P166-D168 PolarHBondContact O-N 2.9Å; P166-D168 VanDerWaalsContact O-N 3.15Å; P166-S169 WeakPolarHBondContact O-CB 3.06Å; P166-S169 PolarHBondContact O-N 3.4Å; P166-S169 PolarHBondContact O-OG 3.2Å
167I73.5Confident60.3Low7 Ų769.4 Ų69.44%0.03639%0.388CS..G310 helixtrans-58.9-28.3-173.9-162.374.1000114L120 S169 V170 I190 W192L120-I167 HydrophobicContact CD1-CD1 4.03Å; L120-I167 HydrophobicContact CD1-CG1 3.8Å; I167-S169 PolarHBondContact O-N 2.84Å; I167-V170 HydrophobicContact CD1-CG2 3.93Å; I167-V170 HydrophobicContact CG1-CG2 4.26Å; I167-V170 VanDerWaalsContact O-CB 3.32Å; I167-V170 WeakPolarHBondContact O-CB 3.44Å; I167-V170 WeakPolarHBondContact O-CG2 3.48Å; I167-V170 PolarHBondContact O-N 3.41Å; I167-I190 HydrophobicContact CD1-CG2 3.43Å; I167-I190 VanDerWaalsContact CD1-CG2 3.43Å; I167-W192 HydrophobicContact CD1-CE3 4.19Å; I167-W192 HydrophobicContact CG1-CE3 3.99Å; I167-W192 HydrophobicContact CG1-CZ3 3.82Å; I167-W192 HydrophobicContact CG2-CZ3 4.27Å
168D69.8Low61Low89 Ų8964.2 Ų64.248%0.47636%0.357SS..G310 helixtrans-59.3-21.5176.2-60.5-37.9000112.5P166 V170 G337P166-D168 PolarHBondContact O-N 2.9Å; P166-D168 VanDerWaalsContact O-N 3.15Å; D168-V170 PolarHBondContact O-N 3.08Å; D168-G337 VanDerWaalsContact OD1-CA 3.26Å; D168-G337 WeakPolarHBondContact OD1-CA 3.42Å
169S67Low61.4Low22 Ų2268.3 Ų68.315%0.15437%0.372CS..G310 helixtrans-69.3-16.6176.1-45.70000113.2P166 I167 G171 Q172 L173P166-S169 WeakPolarHBondContact O-CB 3.06Å; P166-S169 PolarHBondContact O-N 3.4Å; P166-S169 PolarHBondContact O-OG 3.2Å; I167-S169 PolarHBondContact O-N 2.84Å; S169-G171 VanDerWaalsContact C-N 3.26Å; S169-G171 PolarHBondContact O-N 2.87Å; S169-Q172 CarbonylContact O-C 3.49Å; S169-Q172 PolarHBondContact O-N 3.39Å; S169-L173 WeakPolarHBondContact O-CG 3.18Å; S169-L173 PolarHBondContact O-N 2.86Å
170V69.7Low62.1Low0 Ų067.4 Ų67.40%037%0.37CS..Hα-helixtrans-56.1-43.7179.4172.40000110.4P122 L145 I167 D168 Q172 L173 A174 I190P122-V170 HydrophobicContact CG-CG1 4.5Å; L145-V170 HydrophobicContact CD1-CG2 3.63Å; I167-V170 HydrophobicContact CD1-CG2 3.93Å; I167-V170 HydrophobicContact CG1-CG2 4.26Å; I167-V170 VanDerWaalsContact O-CB 3.32Å; I167-V170 WeakPolarHBondContact O-CB 3.44Å; I167-V170 WeakPolarHBondContact O-CG2 3.48Å; I167-V170 PolarHBondContact O-N 3.41Å; D168-V170 PolarHBondContact O-N 3.08Å; V170-Q172 PolarHBondContact O-N 3.42Å; V170-L173 PolarHBondContact O-N 3.48Å; V170-A174 HydrophobicContact CG1-CB 4.32Å; V170-A174 WeakPolarHBondContact O-CB 3.46Å; V170-A174 PolarHBondContact O-N 3.47Å; V170-I190 HydrophobicContact CG1-CD1 3.98Å; V170-I190 HydrophobicContact CG2-CD1 3.93Å; V170-I190 HydrophobicContact CG2-CG1 4.12Å
171G67.4Low62.6Low16 Ų1672.7 Ų72.717%0.16539%0.39CS..Hα-helixtrans-62-29.617700000114.3S169 H175S169-G171 VanDerWaalsContact C-N 3.26Å; S169-G171 PolarHBondContact O-N 2.87Å; G171-H175 WeakPolarHBondContact O-CB 3.48Å
172Q67Low63.5Low144 Ų14469.9 Ų69.967%0.67337%0.368SS*.Hα-helixtrans-89.9-26.5179.8-63.8179.93.300112.9S169 V170 S178S169-Q172 CarbonylContact O-C 3.49Å; S169-Q172 PolarHBondContact O-N 3.39Å; V170-Q172 PolarHBondContact O-N 3.42Å; Q172-S178 WeakPolarHBondContact O-CB 3.43Å; Q172-S178 PolarHBondContact O-OG 3.25Å
173L66Low64.7Low11 Ų1164.9 Ų64.96%0.05835%0.351CS..Hα-helixtrans-97.3-40.1-175.8-66.3170000112.3L145 S169 V170 H175 L182 L188L145-L173 HydrophobicContact CD2-CD1 3.9Å; S169-L173 WeakPolarHBondContact O-CG 3.18Å; S169-L173 PolarHBondContact O-N 2.86Å; V170-L173 PolarHBondContact O-N 3.48Å; L173-H175 VanDerWaalsContact C-N 3.34Å; L173-H175 PolarHBondContact O-N 2.97Å; L173-L182 HydrophobicContact CB-CD1 4.37Å; L173-L182 WeakPolarHBondContact O-CD1 3.27Å; L173-L188 HydrophobicContact CB-CD1 4.19Å
174A60Low65.5Low1 Ų161.9 Ų61.91%0.00834%0.34CS..SBendtrans-82.4-12.1-175.400000114P122 S130 L133 V170P122-A174 HydrophobicContact CG-CB 4.38Å; S130-A174 PolarHBondContact N-O 3.17Å; S130-A174 VanDerWaalsContact N-O 3.15Å; S130-A174 PolarHBondContact OG-O 3.1Å; L133-A174 HydrophobicContact CD1-CB 3.76Å; L133-A174 HydrophobicContact CD2-CB 3.62Å; L133-A174 HydrophobicContact CG-CB 4.31Å; V170-A174 HydrophobicContact CG1-CB 4.32Å; V170-A174 WeakPolarHBondContact O-CB 3.46Å; V170-A174 PolarHBondContact O-N 3.47Å
175H63.6Low65.9Low22 Ų2262 Ų6210%0.10234%0.335CS..BIsolated β-bridgetrans-87.3128-174-170.1-15.1000111.2G126 H127 G171 L173 L177 S178G126-H175 PolarHBondContact O-CE1 3.33Å; G126-H175 VanDerWaalsContact O-CE1 3.23Å; H127-H175 AromaticContact CE1-CD2 3.78Å; H127-H175 AromaticContact CE1-NE2 3.37Å; H127-H175 PolarHBondContact CE1-NE2 3.49Å; H127-H175 AromaticContact CG-NE2 3.73Å; H127-H175 AromaticContact ND1-CD2 3.14Å; H127-H175 PolarHBondContact ND1-CD2 3.38Å; H127-H175 AromaticContact ND1-CE1 3.7Å; H127-H175 AromaticContact ND1-NE2 2.8Å; H127-H175 PolarHBondContact ND1-NE2 2.89Å; G171-H175 WeakPolarHBondContact O-CB 3.48Å; L173-H175 VanDerWaalsContact C-N 3.34Å; L173-H175 PolarHBondContact O-N 2.97Å; H175-L177 VanDerWaalsContact CE1-CB 3.46Å; H175-L177 WeakPolarHBondContact CE1-CB 3.23Å; H175-L177 VanDerWaalsContact CE1-CD1 3.47Å; H175-L177 WeakPolarHBondContact CE1-CD1 3.33Å; H175-L177 VanDerWaalsContact CE1-CG 3.41Å; H175-L177 WeakPolarHBondContact CE1-CG 3.12Å; H175-L177 PolarHBondContact ND1-N 2.86Å; H175-L177 VanDerWaalsContact ND1-N 3.17Å; H175-L177 PolarHBondContact O-N 3.35Å; H175-S178 VanDerWaalsContact O-CB 3.23Å; H175-S178 WeakPolarHBondContact O-CB 3.34Å; H175-S178 PolarHBondContact O-N 3.44Å; H175-S178 PolarHBondContact O-OG 3.46Å; H175-S178 VanDerWaalsContact O-OG 3.1Å
176A56.3Low66.4Low45 Ų4558.2 Ų58.237%0.37232%0.323SS..THydrogen-bonded Turntrans-61.6-14.8178.500000115.6T128 S178T128-A176 WeakPolarHBondContact O-CB 3.32Å; T128-A176 PolarHBondContact O-N 2.89Å; T128-A176 WeakPolarHBondContact OG1-CB 3.44Å; A176-S178 VanDerWaalsContact C-N 3.34Å
177L49.8Very low66.9Low128 Ų12855 Ų5567%0.6730%0.301SS*.THydrogen-bonded Turntrans-92.34.4174.9-63178000112.5H175H175-L177 VanDerWaalsContact CE1-CB 3.46Å; H175-L177 WeakPolarHBondContact CE1-CB 3.23Å; H175-L177 VanDerWaalsContact CE1-CD1 3.47Å; H175-L177 WeakPolarHBondContact CE1-CD1 3.33Å; H175-L177 VanDerWaalsContact CE1-CG 3.41Å; H175-L177 WeakPolarHBondContact CE1-CG 3.12Å; H175-L177 PolarHBondContact ND1-N 2.86Å; H175-L177 VanDerWaalsContact ND1-N 3.17Å; H175-L177 PolarHBondContact O-N 3.35Å
178S56.9Low67.6Low23 Ų2354.7 Ų54.716%0.16130%0.3CS..SBendtrans-71.7154.417678.70000112Q172 H175 A176 V180Q172-S178 WeakPolarHBondContact O-CB 3.43Å; Q172-S178 PolarHBondContact O-OG 3.25Å; H175-S178 VanDerWaalsContact O-CB 3.23Å; H175-S178 WeakPolarHBondContact O-CB 3.34Å; H175-S178 PolarHBondContact O-N 3.44Å; H175-S178 PolarHBondContact O-OG 3.46Å; H175-S178 VanDerWaalsContact O-OG 3.1Å; A176-S178 VanDerWaalsContact C-N 3.34Å; S178-V180 PolarHBondContact O-N 3.44Å; S178-V180 PolarHBondContact OG-N 2.95Å; S178-V180 PolarHBondContact OG-O 3Å
179N50.6Low68.6Low170 Ų17053.5 Ų53.591%0.90929%0.29SS*.SBendtrans-69.5-11.3175.9-68.9-16000112.7
180V59.2Low69.7Low77 Ų7752.5 Ų52.547%0.46728%0.283SS..SBendtrans-108.194.4-178.4-1760000108.4S178 L182S178-V180 PolarHBondContact O-N 3.44Å; S178-V180 PolarHBondContact OG-N 2.95Å; S178-V180 PolarHBondContact OG-O 3Å; V180-L182 PolarHBondContact O-N 3.22Å
181K61.5Low70.7Confident196 Ų19653.9 Ų53.985%0.85229%0.289SS*.  trans-74.692177.5-66.4-173.1-179.5-178.30110.3
182L70Confident71.8Confident30 Ų3053.1 Ų53.116%0.15728%0.281CS..  trans-68.3147.4165.3-65.5168.9000109.7C131 M147 L173 V180 T186 L188C131-L182 HydrophobicContact CB-CB 4.37Å; M147-L182 HydrophobicContact SD-CD2 4.01Å; L173-L182 HydrophobicContact CB-CD1 4.37Å; L173-L182 WeakPolarHBondContact O-CD1 3.27Å; V180-L182 PolarHBondContact O-N 3.22Å; L182-T186 HydrophobicContact CD2-CG2 4.33Å; L182-L188 HydrophobicContact CD1-CD1 3.83Å; L182-L188 HydrophobicContact CD1-CD2 4.17Å; L182-L188 HydrophobicContact CD1-CG 4.32Å
183S73Confident72.8Confident59 Ų5946.2 Ų46.241%0.41325%0.249SC..  trans-70.6154.1175.5650000110.9D185 T186S183-D185 WeakPolarHBondContact CB-OD1 3.29Å; S183-D185 PolarHBondContact O-N 3Å; S183-D185 PolarHBondContact OG-OD1 3.06Å; S183-T186 WeakPolarHBondContact O-CB 3.15Å; S183-T186 PolarHBondContact O-N 2.9Å; S183-T186 VanDerWaalsContact O-N 3.08Å; S183-T186 PolarHBondContact O-OG1 3.12Å; S183-T186 PolarHBondContact OG-OG1 3.12Å
184T74.8Confident73.9Confident32 Ų3246.4 Ų46.420%0.19625%0.252CS..THydrogen-bonded Turntrans-62.1-25.4-177.9430000113.5S130 F132 V214 D215S130-T184 WeakPolarHBondContact O-CA 3.23Å; F132-T184 WeakPolarHBondContact CD2-O 3.27Å; T184-V214 HydrophobicContact CG2-CG1 3.81Å; T184-D215 PolarHBondContact OG1-OD2 2.68Å
185D78.4Confident75Confident41 Ų4149.8 Ų49.822%0.21928%0.275CS..THydrogen-bonded Turntrans-90.3-6.4177.662.6-27000114.3S183 K220 L224 H225S183-D185 WeakPolarHBondContact CB-OD1 3.29Å; S183-D185 PolarHBondContact O-N 3Å; S183-D185 PolarHBondContact OG-OD1 3.06Å; D185-K220 WeakPolarHBondContact OD2-CE 3.48Å; D185-K220 IonicContact OD2-NZ 2.81Å; D185-K220 PolarHBondContact OD2-NZ 3.26Å; D185-L224 HydrophobicContact CB-CD1 4.23Å; D185-H225 PolarHBondContact O-NE2 2.88Å
186T84.3Confident75.8Confident24 Ų2451.4 Ų51.415%0.14728%0.281CS..  trans-64.8137.2176.6-62.50000110.5C131 F132 L182 S183 L188C131-T186 WeakPolarHBondContact CB-O 3.43Å; F132-T186 PolarHBondContact N-O 3.23Å; L182-T186 HydrophobicContact CD2-CG2 4.33Å; S183-T186 WeakPolarHBondContact O-CB 3.15Å; S183-T186 PolarHBondContact O-N 2.9Å; S183-T186 VanDerWaalsContact O-N 3.08Å; S183-T186 PolarHBondContact O-OG1 3.12Å; S183-T186 PolarHBondContact OG-OG1 3.12Å; T186-L188 HydrophobicContact CG2-CD2 4.4Å
187L86.6Confident77.3Confident18 Ų1849.5 Ų49.59%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-106.8120.1174-175.468.4000111F132 E134 A148 K189 L207F132-L187 HydrophobicContact CB-CD1 3.56Å; E134-L187 HydrophobicContact CB-CD1 3.84Å; E134-L187 HydrophobicContact CB-CG 4.42Å; A148-L187 HydrophobicContact CB-CB 4.09Å; A148-L187 HydrophobicContact CB-CD2 4.39Å; A148-L187 HydrophobicContact CB-CG 4.49Å; A148-L187 WeakPolarHBondContact CB-O 3.26Å; A148-L187 PolarHBondContact N-O 3.32Å; L187-K189 HydrophobicContact CD2-CG 4.43Å; L187-K189 HydrophobicContact CG-CG 4.47Å; L187-L207 HydrophobicContact CD1-CD1 3.71Å
188L87.9Confident79.1Confident0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-99.7122.6168.8-59-179.8000109.3F132 L133 E134 L145 M147 L173 L182 T186F132-L188 PolarHBondContact O-N 2.86Å; L133-L188 WeakPolarHBondContact CA-O 3.28Å; L133-L188 HydrophobicContact CD2-CB 3.85Å; L133-L188 HydrophobicContact CD2-CD1 3.78Å; L133-L188 HydrophobicContact CD2-CG 4.2Å; E134-L188 PolarHBondContact N-O 2.97Å; L145-L188 HydrophobicContact CD1-CB 4.34Å; L145-L188 HydrophobicContact CD1-CD1 4.32Å; M147-L188 HydrophobicContact CB-CD2 4.13Å; M147-L188 HydrophobicContact CG-CD2 3.48Å; M147-L188 VanDerWaalsContact CG-CD2 3.48Å; M147-L188 HydrophobicContact SD-CD2 3.6Å; L173-L188 HydrophobicContact CB-CD1 4.19Å; L182-L188 HydrophobicContact CD1-CD1 3.83Å; L182-L188 HydrophobicContact CD1-CD2 4.17Å; L182-L188 HydrophobicContact CD1-CG 4.32Å; T186-L188 HydrophobicContact CG2-CD2 4.4Å
189K90.4Very high80.7Confident65 Ų6543.9 Ų43.928%0.28323%0.231SC..EExtended strand (participates in β ladder)trans-93.3121.7174.6-62.4-167.6177-161.30109.9E134 L145 L146 L187 F191E134-K189 HydrophobicContact CB-CG 4.44Å; E134-K189 CarbonylContact O-C 3.59Å; E134-K189 WeakPolarHBondContact O-CA 3.41Å; E134-K189 WeakPolarHBondContact OE1-CD 3.48Å; E134-K189 WeakPolarHBondContact OE1-CE 3.48Å; E134-K189 IonicContact OE1-NZ 3.71Å; E134-K189 PolarHBondContact OE1-NZ 3.19Å; L145-K189 CarbonylContact C-O 3.59Å; L145-K189 WeakPolarHBondContact CA-O 3.24Å; L146-K189 HydrophobicContact CB-CB 4.4Å; L146-K189 PolarHBondContact N-O 3.41Å; L146-K189 PolarHBondContact O-N 2.79Å; L187-K189 HydrophobicContact CD2-CG 4.43Å; L187-K189 HydrophobicContact CG-CG 4.47Å; K189-F191 HydrophobicContact CB-CD2 4.48Å; K189-F191 HydrophobicContact CB-CE2 3.81Å
190I90.5Very high82.7Confident0 Ų035.9 Ų35.90%019%0.188CC..EExtended strand (participates in β ladder)trans-107.2113.9180-63.2172.1000107.7L120 L121 L133 E134 I135 Q136 L145 I167 V170L120-I190 HydrophobicContact CD1-CG2 4.5Å; L120-I190 HydrophobicContact CD2-CG2 4.02Å; L121-I190 HydrophobicContact CD2-CD1 3.77Å; L133-I190 HydrophobicContact CB-CD1 4.18Å; E134-I190 PolarHBondContact O-N 2.93Å; I135-I190 CarbonylContact C-O 3.49Å; I135-I190 WeakPolarHBondContact CA-O 3.22Å; I135-I190 HydrophobicContact CG1-CB 4.21Å; I135-I190 HydrophobicContact CG1-CD1 4.29Å; Q136-I190 PolarHBondContact N-O 3.36Å; L145-I190 HydrophobicContact CD1-CG1 4.22Å; I167-I190 HydrophobicContact CD1-CG2 3.43Å; I167-I190 VanDerWaalsContact CD1-CG2 3.43Å; V170-I190 HydrophobicContact CG1-CD1 3.98Å; V170-I190 HydrophobicContact CG2-CD1 3.93Å; V170-I190 HydrophobicContact CG2-CG1 4.12Å
191F90.7Very high84.2Confident29 Ų2934.2 Ų34.213%0.12717%0.173CC..EExtended strand (participates in β ladder)trans-95.5110.9174.5-71.3-89.3000108.5Q136 T138 G143 Y144 L146 K189Q136-F191 HydrophobicContact CB-CD1 4.13Å; Q136-F191 HydrophobicContact CB-CE1 4.08Å; Q136-F191 WeakPolarHBondContact O-CA 3.32Å; T138-F191 HydrophobicContact CG2-CB 4.06Å; G143-F191 CarbonylContact C-O 3.6Å; G143-F191 WeakPolarHBondContact CA-O 3.39Å; Y144-F191 HydrophobicContact CD1-CB 3.89Å; Y144-F191 HydrophobicContact CD2-CB 4Å; Y144-F191 AromaticContact CD2-CD2 3.89Å; Y144-F191 HydrophobicContact CD2-CD2 3.89Å; Y144-F191 HydrophobicContact CD2-CG 4.23Å; Y144-F191 HydrophobicContact CE1-CB 3.52Å; Y144-F191 HydrophobicContact CE1-CG 4.07Å; Y144-F191 HydrophobicContact CE2-CB 3.65Å; Y144-F191 HydrophobicContact CE2-CD1 4.4Å; Y144-F191 AromaticContact CE2-CD2 3.25Å; Y144-F191 HydrophobicContact CE2-CD2 3.25Å; Y144-F191 HydrophobicContact CE2-CE2 4.01Å; Y144-F191 AromaticContact CE2-CG 3.49Å; Y144-F191 HydrophobicContact CE2-CG 3.49Å; Y144-F191 VanDerWaalsContact CE2-CG 3.49Å; Y144-F191 HydrophobicContact CG-CB 4.11Å; Y144-F191 AromaticContact CZ-CD2 3.7Å; Y144-F191 AromaticContact CZ-CG 3.39Å; Y144-F191 PolarHBondContact N-O 3.44Å; Y144-F191 PolarHBondContact O-N 2.97Å; Y144-F191 WeakPolarHBondContact OH-CG 3.48Å; L146-F191 HydrophobicContact CB-CE2 4.48Å; L146-F191 HydrophobicContact CD1-CD2 4.25Å; L146-F191 HydrophobicContact CD1-CE2 3.71Å; L146-F191 HydrophobicContact CD1-CZ 4.49Å; L146-F191 HydrophobicContact CG-CD2 4.48Å; L146-F191 HydrophobicContact CG-CE2 4.26Å; K189-F191 HydrophobicContact CB-CD2 4.48Å; K189-F191 HydrophobicContact CB-CE2 3.81Å
192W89.4Confident85.6Confident0 Ų025.6 Ų25.60%014%0.136CC..EExtended strand (participates in β ladder)trans-112136.2-176.3-171.9-111.2000111L120 I135 Q136 G137 T138 I167 S194 L200 P335 A338L120-W192 HydrophobicContact CD1-CD2 4.11Å; L120-W192 HydrophobicContact CD1-CE3 3.64Å; L120-W192 HydrophobicContact CD1-CH2 4.19Å; L120-W192 HydrophobicContact CD1-CZ3 3.74Å; L120-W192 HydrophobicContact CD2-CB 4.24Å; L120-W192 HydrophobicContact CD2-CD2 4.09Å; L120-W192 HydrophobicContact CD2-CE3 4.36Å; L120-W192 HydrophobicContact CD2-CG 4.07Å; I135-W192 HydrophobicContact CG2-CB 4.24Å; Q136-W192 PolarHBondContact O-N 2.94Å; G137-W192 CarbonylContact C-O 3.46Å; G137-W192 WeakPolarHBondContact CA-O 3.38Å; T138-W192 PolarHBondContact N-O 2.65Å; I167-W192 HydrophobicContact CD1-CE3 4.19Å; I167-W192 HydrophobicContact CG1-CE3 3.99Å; I167-W192 HydrophobicContact CG1-CZ3 3.82Å; I167-W192 HydrophobicContact CG2-CZ3 4.27Å; W192-S194 PolarHBondContact O-N 2.79Å; W192-S194 VanDerWaalsContact O-N 3.13Å; W192-L200 HydrophobicContact CB-CD1 3.7Å; W192-L200 HydrophobicContact CG-CD1 4.11Å; W192-P335 HydrophobicContact CH2-CB 3.76Å; W192-P335 HydrophobicContact CH2-CG 3.89Å; W192-P335 HydrophobicContact CZ2-CB 3.54Å; W192-P335 HydrophobicContact CZ2-CG 3.33Å; W192-A338 HydrophobicContact CH2-CB 4.02Å; W192-A338 HydrophobicContact CZ2-CB 4.3Å
193P88.5Confident86.7Confident0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-58.3120.9-173.7-2837.4000112.5T138 Q140 D141 S195 Y196T138-P193 HydrophobicContact CG2-CG 4.46Å; T138-P193 WeakPolarHBondContact O-CA 3.39Å; Q140-P193 VanDerWaalsContact O-CB 3.3Å; Q140-P193 WeakPolarHBondContact O-CB 3.44Å; Q140-P193 WeakPolarHBondContact O-CG 3.1Å; D141-P193 WeakPolarHBondContact O-CG 3.08Å; P193-S195 PolarHBondContact O-N 2.87Å; P193-S195 VanDerWaalsContact O-N 3.09Å; P193-Y196 HydrophobicContact CB-CD2 3.84Å; P193-Y196 HydrophobicContact CB-CE2 4.19Å; P193-Y196 PolarHBondContact O-N 3.02Å; P193-Y196 VanDerWaalsContact O-N 3.1Å
194S88.5Confident87.7Confident15 Ų1523.2 Ų23.211%0.10512%0.119CC..G310 helixtrans-59.8-24.3-175.5-67.80000112.8G137 T138 W192 Y196 C197 R201G137-S194 VanDerWaalsContact CA-OG 3.26Å; G137-S194 WeakPolarHBondContact CA-OG 2.99Å; T138-S194 PolarHBondContact N-OG 3.15Å; T138-S194 PolarHBondContact O-N 2.69Å; T138-S194 PolarHBondContact O-OG 2.93Å; W192-S194 PolarHBondContact O-N 2.79Å; W192-S194 VanDerWaalsContact O-N 3.13Å; S194-Y196 PolarHBondContact O-N 3.41Å; S194-C197 PolarHBondContact O-N 2.89Å; S194-R201 WeakPolarHBondContact O-CB 3.12Å
195S83.6Confident88.7Confident72 Ų7221.9 Ų21.950%0.50311%0.111SC..G310 helixtrans-61.9-22.8177.552.10000113.9P193P193-S195 PolarHBondContact O-N 2.87Å; P193-S195 VanDerWaalsContact O-N 3.09Å
196Y81.2Confident89.6Confident56 Ų5619.9 Ų19.922%0.2210%0.1CC..G310 helixtrans-100.9-11-175.4-66.8-91.8000114.6L19 P193 S194 P335L19-Y196 HydrophobicContact CD1-CD1 3.81Å; L19-Y196 HydrophobicContact CD1-CE1 3.4Å; L19-Y196 VanDerWaalsContact CD1-CE1 3.4Å; L19-Y196 HydrophobicContact CD2-CD1 4.44Å; P193-Y196 HydrophobicContact CB-CD2 3.84Å; P193-Y196 HydrophobicContact CB-CE2 4.19Å; P193-Y196 PolarHBondContact O-N 3.02Å; P193-Y196 VanDerWaalsContact O-N 3.1Å; S194-Y196 PolarHBondContact O-N 3.41Å; Y196-P335 HydrophobicContact CD1-CB 3.61Å; Y196-P335 VanDerWaalsContact CD1-CD 3.49Å; Y196-P335 HydrophobicContact CD1-CG 3.53Å; Y196-P335 HydrophobicContact CD2-CB 3.8Å; Y196-P335 HydrophobicContact CD2-CG 4.43Å; Y196-P335 HydrophobicContact CE1-CB 3.57Å; Y196-P335 HydrophobicContact CE1-CG 3.86Å; Y196-P335 HydrophobicContact CE2-CB 3.76Å; Y196-P335 HydrophobicContact CG-CB 3.69Å; Y196-P335 HydrophobicContact CG-CG 3.82Å
197C86.7Confident90.1Very high5 Ų518.8 Ų18.83%0.0349%0.094CC..  trans-135.7122.3178.2-177.70000111.3L116 S194 L199 L200 R201L116-C197 HydrophobicContact CD2-CB 4.19Å; S194-C197 PolarHBondContact O-N 2.89Å; C197-L199 VanDerWaalsContact C-N 3.29Å; C197-L199 PolarHBondContact O-N 3.42Å; C197-L200 HydrophobicContact CB-CB 4.17Å; C197-L200 HydrophobicContact CB-CD1 4.02Å; C197-L200 HydrophobicContact CB-CG 3.88Å; C197-L200 PolarHBondContact O-N 3.18Å; C197-R201 WeakPolarHBondContact O-CB 3.22Å; C197-R201 PolarHBondContact O-N 3.08Å
198R87.6Confident90.4Very high32 Ų3218 Ų1812%0.1219%0.089CC..Hα-helixtrans-61.2-35.8179.768.4-171.4-179.394.83113E202 E367 E371R198-E202 WeakPolarHBondContact O-CG 3.44Å; R198-E202 PolarHBondContact O-N 3.26Å; R198-E367 IonicContact NH2-OE2 2.68Å; R198-E367 PolarHBondContact NH2-OE2 2.92Å; R198-E371 IonicContact CZ-OE1 2.7Å; R198-E371 IonicContact CZ-OE2 3.02Å; R198-E371 IonicContact NH1-OE1 3.73Å; R198-E371 PolarHBondContact NH1-OE1 2.69Å; R198-E371 IonicContact NH1-OE2 3.32Å; R198-E371 PolarHBondContact NH1-OE2 3.48Å; R198-E371 IonicContact NH2-OE1 3.32Å; R198-E371 PolarHBondContact NH2-OE1 3Å
199L92.1Very high90.6Very high0 Ų018 Ų180%09%0.089CC..Hα-helixtrans-66.8-52.8179.5-61.3176.2000110.9L28 M115 C197 R201 E202 V204 E371L28-L199 HydrophobicContact CD1-CD2 3.8Å; M115-L199 HydrophobicContact CB-CD1 4.11Å; M115-L199 HydrophobicContact CE-CD1 3.8Å; C197-L199 VanDerWaalsContact C-N 3.29Å; C197-L199 PolarHBondContact O-N 3.42Å; L199-R201 VanDerWaalsContact C-N 3.26Å; L199-R201 PolarHBondContact O-N 3.06Å; L199-E202 CarbonylContact O-C 3.41Å; L199-E202 WeakPolarHBondContact O-CA 3.19Å; L199-E202 PolarHBondContact O-N 2.9Å; L199-V204 HydrophobicContact CB-CB 4.01Å; L199-V204 HydrophobicContact CB-CG1 4.32Å; L199-V204 HydrophobicContact CB-CG2 4.25Å; L199-V204 VanDerWaalsContact O-CB 3.26Å; L199-V204 WeakPolarHBondContact O-CB 3.35Å; L199-V204 WeakPolarHBondContact O-CG2 3.42Å; L199-V204 PolarHBondContact O-N 3.14Å; L199-E371 HydrophobicContact CD2-CG 3.84Å
200L92.1Very high90.5Very high2 Ų214.9 Ų14.91%0.018%0.076CC..Hα-helixtrans-62.6-36.9-178.8-57.5-174000112L116 I135 W192 C197 E202 D203 V204L116-L200 HydrophobicContact CD2-CD1 3.99Å; L116-L200 HydrophobicContact CD2-CD2 4.37Å; L116-L200 HydrophobicContact CD2-CG 4.11Å; I135-L200 HydrophobicContact CG2-CD1 3.85Å; I135-L200 HydrophobicContact CG2-CD2 3.99Å; W192-L200 HydrophobicContact CB-CD1 3.7Å; W192-L200 HydrophobicContact CG-CD1 4.11Å; C197-L200 HydrophobicContact CB-CB 4.17Å; C197-L200 HydrophobicContact CB-CD1 4.02Å; C197-L200 HydrophobicContact CB-CG 3.88Å; C197-L200 PolarHBondContact O-N 3.18Å; L200-E202 PolarHBondContact O-N 2.87Å; L200-D203 PolarHBondContact O-N 3.07Å; L200-V204 VanDerWaalsContact CD2-O 3.22Å; L200-V204 WeakPolarHBondContact CD2-O 3.43Å
201R90.2Very high90.3Very high42 Ų4214.9 Ų14.916%0.1588%0.076CC..Hα-helixtrans-56.5-39.5172.2-178.8176.251-171.3-19.4111.4R21 Q22 S24 K32 S194 C197 L199 D203R21-R201 VanDerWaalsContact CG-NH1 3.34Å; Q22-R201 PolarHBondContact O-NH2 3.1Å; S24-R201 PolarHBondContact OG-NH2 2.97Å; K32-R201 VanDerWaalsContact CE-O 3.28Å; K32-R201 WeakPolarHBondContact CE-O 3.28Å; K32-R201 PolarHBondContact NZ-O 3.35Å; S194-R201 WeakPolarHBondContact O-CB 3.12Å; C197-R201 WeakPolarHBondContact O-CB 3.22Å; C197-R201 PolarHBondContact O-N 3.08Å; L199-R201 VanDerWaalsContact C-N 3.26Å; L199-R201 PolarHBondContact O-N 3.06Å; R201-D203 VanDerWaalsContact C-N 3.3Å; R201-D203 PolarHBondContact O-N 3.33Å
202E91.5Very high90.2Very high16 Ų1613.9 Ų13.98%0.0757%0.072CC..THydrogen-bonded Turntrans-88.633-179.5-52.6-37.2145.700114.7S24 L28 K32 M96 R198 L199 L200 V204S24-E202 WeakPolarHBondContact CB-OE1 3.29Å; S24-E202 WeakPolarHBondContact OG-CG 2.93Å; S24-E202 PolarHBondContact OG-OE1 2.74Å; L28-E202 HydrophobicContact CB-CB 3.75Å; L28-E202 HydrophobicContact CB-CG 3.94Å; L28-E202 HydrophobicContact CD1-CB 4.18Å; L28-E202 HydrophobicContact CD1-CG 4.33Å; K32-E202 WeakPolarHBondContact CD-OE2 3.43Å; K32-E202 VanDerWaalsContact CE-CA 3.5Å; K32-E202 WeakPolarHBondContact CE-OE2 3.48Å; K32-E202 IonicContact NZ-OE2 3.5Å; K32-E202 PolarHBondContact NZ-OE2 3.12Å; M96-E202 WeakPolarHBondContact CE-O 3.18Å; R198-E202 WeakPolarHBondContact O-CG 3.44Å; R198-E202 PolarHBondContact O-N 3.26Å; L199-E202 CarbonylContact O-C 3.41Å; L199-E202 WeakPolarHBondContact O-CA 3.19Å; L199-E202 PolarHBondContact O-N 2.9Å; L200-E202 PolarHBondContact O-N 2.87Å; E202-V204 VanDerWaalsContact C-N 3.26Å; E202-V204 PolarHBondContact O-N 3.28Å
203D91.9Very high89.8Confident37 Ų3717.9 Ų17.920%0.1989%0.093CC..THydrogen-bonded Turntrans61.528.3178.9-75.4-10.9000114F31 K35 Q95 M96 L200 R201F31-D203 HydrophobicContact CE1-CB 4.44Å; K35-D203 IonicContact NZ-OD2 3.55Å; K35-D203 PolarHBondContact NZ-OD2 3.25Å; Q95-D203 CarbonylContact C-O 3.54Å; Q95-D203 WeakPolarHBondContact CB-O 3.5Å; Q95-D203 HydrophobicContact CG-CB 4.3Å; M96-D203 PolarHBondContact N-O 3.04Å; L200-D203 PolarHBondContact O-N 3.07Å; R201-D203 VanDerWaalsContact C-N 3.3Å; R201-D203 PolarHBondContact O-N 3.33Å
204V95.3Very high89.3Confident1 Ų121.3 Ų21.31%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-88.3132.3171-177.80000110.7L28 M96 L199 L200 E202 L206 L374L28-V204 HydrophobicContact CD1-CG2 4.37Å; L28-V204 HydrophobicContact CD2-CG2 4.17Å; M96-V204 HydrophobicContact CB-CG2 4.39Å; M96-V204 HydrophobicContact CE-CG2 3.74Å; M96-V204 CarbonylContact O-C 3.55Å; M96-V204 WeakPolarHBondContact O-CA 3.48Å; L199-V204 HydrophobicContact CB-CB 4.01Å; L199-V204 HydrophobicContact CB-CG1 4.32Å; L199-V204 HydrophobicContact CB-CG2 4.25Å; L199-V204 VanDerWaalsContact O-CB 3.26Å; L199-V204 WeakPolarHBondContact O-CB 3.35Å; L199-V204 WeakPolarHBondContact O-CG2 3.42Å; L199-V204 PolarHBondContact O-N 3.14Å; L200-V204 VanDerWaalsContact CD2-O 3.22Å; L200-V204 WeakPolarHBondContact CD2-O 3.43Å; E202-V204 VanDerWaalsContact C-N 3.26Å; E202-V204 PolarHBondContact O-N 3.28Å; V204-L206 HydrophobicContact CG1-CD2 3.73Å; V204-L206 HydrophobicContact CG1-CG 4.44Å; V204-L374 HydrophobicContact CB-CD2 4.47Å; V204-L374 HydrophobicContact CG1-CD2 3.81Å; V204-L374 HydrophobicContact CG2-CD2 3.84Å
205V95.7Very high88.5Confident4 Ų422.5 Ų22.52%0.02412%0.119CC..EExtended strand (participates in β ladder)trans-110129.5173.5177.50000109.1Q95 M96 K97 C98 E134 I135 Q136Q95-V205 HydrophobicContact CB-CG2 3.87Å; Q95-V205 HydrophobicContact CG-CG2 4.41Å; M96-V205 PolarHBondContact O-N 3.25Å; K97-V205 HydrophobicContact CB-CB 4.49Å; K97-V205 HydrophobicContact CG-CB 4.48Å; K97-V205 HydrophobicContact CG-CG1 4.39Å; C98-V205 PolarHBondContact N-O 3.36Å; E134-V205 HydrophobicContact CG-CG1 3.37Å; I135-V205 WeakPolarHBondContact O-CA 3.4Å; Q136-V205 HydrophobicContact CG-CG1 4.1Å; Q136-V205 HydrophobicContact CG-CG2 3.96Å
206L96.1Very high87.7Confident0 Ų024.6 Ų24.60%013%0.131CC..EExtended strand (participates in β ladder)trans-111.6121.6180-52.8176.1000109.4C98 F100 I112 L116 I135 V204C98-L206 HydrophobicContact CB-CD2 4.34Å; F100-L206 HydrophobicContact CE2-CB 4.27Å; F100-L206 HydrophobicContact CE2-CD2 4.02Å; F100-L206 HydrophobicContact CZ-CD2 4.44Å; I112-L206 HydrophobicContact CG2-CD1 4.12Å; L116-L206 HydrophobicContact CD2-CD1 3.83Å; L116-L206 HydrophobicContact CG-CD1 4.23Å; I135-L206 HydrophobicContact CB-CB 4.37Å; I135-L206 HydrophobicContact CD1-CB 4.26Å; I135-L206 PolarHBondContact N-O 3.39Å; I135-L206 PolarHBondContact O-N 3.38Å; V204-L206 HydrophobicContact CG1-CD2 3.73Å; V204-L206 HydrophobicContact CG1-CG 4.44Å
207L95.1Very high87.6Confident1 Ų125.5 Ų25.51%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-106.7112.4178.7-176.674.8000110.2C98 A99 F100 F132 L133 E134 L187 H225C98-L207 PolarHBondContact O-N 3.08Å; A99-L207 HydrophobicContact CB-CB 4.22Å; A99-L207 HydrophobicContact CB-CD2 3.98Å; F100-L207 WeakPolarHBondContact CD2-O 3.3Å; F100-L207 PolarHBondContact N-O 2.99Å; F132-L207 HydrophobicContact CB-CD1 4.29Å; F132-L207 HydrophobicContact CD1-CD1 4.01Å; F132-L207 HydrophobicContact CD1-CD2 4.02Å; F132-L207 HydrophobicContact CD1-CG 4.03Å; F132-L207 HydrophobicContact CE1-CD2 4.3Å; L133-L207 CarbonylContact O-C 3.59Å; L133-L207 WeakPolarHBondContact O-CA 3.2Å; E134-L207 HydrophobicContact CB-CD1 3.92Å; L187-L207 HydrophobicContact CD1-CD1 3.71Å; L207-H225 HydrophobicContact CD2-CB 4.11Å; L207-H225 WeakPolarHBondContact CD2-O 3.3Å
208D93.4Very high87.2Confident0 Ų026.7 Ų26.70%015%0.145CC..EExtended strand (participates in β ladder)trans-87126.9168.1-163.217.8000109.3S109 I112 L121 T129 F132 L133S109-D208 WeakPolarHBondContact CB-OD2 3.42Å; S109-D208 PolarHBondContact OG-OD2 2.59Å; I112-D208 HydrophobicContact CD1-CB 3.46Å; I112-D208 VanDerWaalsContact CD1-CB 3.46Å; L121-D208 HydrophobicContact CD1-CB 3.91Å; T129-D208 PolarHBondContact OG1-OD2 3.21Å; F132-D208 WeakPolarHBondContact CA-O 3.49Å; L133-D208 HydrophobicContact CB-CB 4.16Å; L133-D208 PolarHBondContact N-O 2.92Å; L133-D208 PolarHBondContact O-N 3.14Å
209S91.5Very high87.1Confident0 Ų027.8 Ų27.80%015%0.153CC..PPolyproline II helixtrans-95.9155.7175.864.20000111.9F100 F101 K108F100-S209 WeakPolarHBondContact O-CB 3.37Å; F100-S209 PolarHBondContact O-N 2.86Å; F100-S209 PolarHBondContact O-OG 3.35Å; F101-S209 WeakPolarHBondContact CD1-OG 3.49Å; F101-S209 VanDerWaalsContact CE1-CB 3.44Å; K108-S209 WeakPolarHBondContact CE-O 3.37Å
210P88.3Confident86.9Confident0 Ų031.9 Ų31.90%017%0.171CC..PPolyproline II helixtrans-58.5162.3162.6-13.826.5000110.9F132 I212 W221F132-P210 HydrophobicContact CD2-CG 4.13Å; F132-P210 HydrophobicContact CE2-CG 4.12Å; P210-I212 PolarHBondContact O-N 3.35Å; P210-W221 HydrophobicContact CB-CH2 3.67Å; P210-W221 HydrophobicContact CB-CZ2 4.1Å; P210-W221 HydrophobicContact CB-CZ3 4.38Å; P210-W221 HydrophobicContact CG-CH2 3.96Å; P210-W221 HydrophobicContact CG-CZ2 4.05Å
211G87.6Confident86.6Confident1 Ų131.9 Ų31.91%0.0117%0.171CC..PPolyproline II helixtrans-58.4134.1176.500000112.2T104 N213 V214T104-G211 WeakPolarHBondContact OG1-CA 3.32Å; G211-N213 PolarHBondContact O-N 3.47Å; G211-V214 VanDerWaalsContact O-CB 3.3Å; G211-V214 WeakPolarHBondContact O-CB 3.48Å; G211-V214 VanDerWaalsContact O-CG2 3.28Å; G211-V214 WeakPolarHBondContact O-CG2 3.36Å; G211-V214 PolarHBondContact O-N 3.09Å
212I87.1Confident86.4Confident7 Ų729.9 Ų29.94%0.03616%0.163CC..THydrogen-bonded Turntrans-55.2-26179.6-61.8171.7000112F101 G102 P210 V214 M218 A245 E246 F249F101-I212 HydrophobicContact CB-CD1 4.11Å; F101-I212 HydrophobicContact CB-CG1 4.48Å; G102-I212 PolarHBondContact O-N 3.37Å; P210-I212 PolarHBondContact O-N 3.35Å; I212-V214 VanDerWaalsContact C-N 3.32Å; I212-V214 PolarHBondContact O-N 3.1Å; I212-M218 HydrophobicContact CG2-SD 4.31Å; I212-A245 WeakPolarHBondContact CG2-O 3.46Å; I212-E246 HydrophobicContact CD1-CB 4.48Å; I212-E246 HydrophobicContact CD1-CG 4.24Å; I212-F249 HydrophobicContact CD1-CB 4.08Å; I212-F249 HydrophobicContact CD1-CD1 4.29Å; I212-F249 HydrophobicContact CD1-CG 4.16Å; I212-F249 HydrophobicContact CG1-CG 4.4Å; I212-F249 HydrophobicContact CG2-CB 3.93Å; I212-F249 HydrophobicContact CG2-CG 4.43Å
213N81.6Confident86.2Confident85 Ų8533.1 Ų33.146%0.45518%0.182SC..THydrogen-bonded Turntrans-86.58.1179.666.1-78.7000114.7T104 G211T104-N213 PolarHBondContact N-OD1 2.84Å; T104-N213 PolarHBondContact OG1-OD1 3.04Å; G211-N213 PolarHBondContact O-N 3.47Å
214V77.3Confident86Confident72 Ų7236 Ų3644%0.43620%0.196SC..THydrogen-bonded Turntrans-90.5-40.8-177.41790000111.8T184 G211 I212T184-V214 HydrophobicContact CG2-CG1 3.81Å; G211-V214 VanDerWaalsContact O-CB 3.3Å; G211-V214 WeakPolarHBondContact O-CB 3.48Å; G211-V214 VanDerWaalsContact O-CG2 3.28Å; G211-V214 WeakPolarHBondContact O-CG2 3.36Å; G211-V214 PolarHBondContact O-N 3.09Å; I212-V214 VanDerWaalsContact C-N 3.32Å; I212-V214 PolarHBondContact O-N 3.1Å
215D72.3Confident85.7Confident40 Ų4036.8 Ų36.821%0.21420%0.2CC..  trans-130.8130-173.6-160.5-41.1000110.3T184 D217 W221T184-D215 PolarHBondContact OG1-OD2 2.68Å; D215-D217 VanDerWaalsContact C-N 3.3Å; D215-D217 PolarHBondContact O-N 2.96Å; D215-D217 PolarHBondContact OD1-N 3.39Å; D215-W221 HydrophobicContact CB-CH2 4.23Å; D215-W221 HydrophobicContact CB-CZ2 3.48Å; D215-W221 VanDerWaalsContact CB-CZ2 3.48Å
216P66.5Low85.3Confident116 Ų11636.6 Ų36.675%0.75320%0.199SC*.SBendtrans-71.3-19.7177.427.9-34.7000113.9M218P216-M218 VanDerWaalsContact C-N 3.29Å; P216-M218 PolarHBondContact O-N 2.9Å
217D80.2Confident85Confident74 Ų7440.8 Ų40.840%0.39622%0.221SC..  trans-85.766.5-176-164.2-3.1000113.1D215 D219 K220D215-D217 VanDerWaalsContact C-N 3.3Å; D215-D217 PolarHBondContact O-N 2.96Å; D215-D217 PolarHBondContact OD1-N 3.39Å; D217-D219 PolarHBondContact O-N 3.5Å; D217-D219 PolarHBondContact OD1-N 3.12Å; D217-K220 HydrophobicContact CB-CB 4.43Å; D217-K220 PolarHBondContact O-N 3.18Å; D217-K220 PolarHBondContact OD1-N 3.41Å; D217-K220 WeakPolarHBondContact OD2-CB 3.38Å
218M78.6Confident84.7Confident30 Ų3044.8 Ų44.815%0.14824%0.242CC..Hα-helixtrans-60.7-27.1176.4-63.9-178.7-81.800113.2I212 P216 W221 I222 D248 F249 K252I212-M218 HydrophobicContact CG2-SD 4.31Å; P216-M218 VanDerWaalsContact C-N 3.29Å; P216-M218 PolarHBondContact O-N 2.9Å; M218-W221 PolarHBondContact O-N 3.38Å; M218-I222 WeakPolarHBondContact O-CG1 3.21Å; M218-I222 PolarHBondContact O-N 3.46Å; M218-D248 HydrophobicContact CE-CB 4.34Å; M218-F249 HydrophobicContact CB-CD2 3.96Å; M218-F249 HydrophobicContact CB-CE2 4.4Å; M218-F249 HydrophobicContact CG-CD2 3.9Å; M218-F249 VanDerWaalsContact SD-CA 3.59Å; M218-F249 HydrophobicContact SD-CB 3.72Å; M218-F249 HydrophobicContact SD-CD2 3.9Å; M218-F249 HydrophobicContact SD-CG 4.33Å; M218-K252 HydrophobicContact CB-CD 3.74Å; M218-K252 HydrophobicContact CE-CD 4.04Å; M218-K252 HydrophobicContact SD-CD 4.45Å
219D84.2Confident84.7Confident55 Ų5545.4 Ų45.429%0.29425%0.247SC..Hα-helixtrans-70.5-43.7-176.1-75.2-55.5000111.5D217 W221 I222 D223 K252 K256D217-D219 PolarHBondContact O-N 3.5Å; D217-D219 PolarHBondContact OD1-N 3.12Å; D219-W221 VanDerWaalsContact C-N 3.28Å; D219-W221 PolarHBondContact O-N 3.11Å; D219-I222 PolarHBondContact O-N 2.97Å; D219-D223 PolarHBondContact O-N 3.41Å; D219-K252 WeakPolarHBondContact OD2-CE 3.46Å; D219-K252 IonicContact OD2-NZ 2.72Å; D219-K252 PolarHBondContact OD2-NZ 2.72Å; D219-K256 PolarHBondContact O-NZ 3.47Å; D219-K256 VanDerWaalsContact OD1-CE 3.3Å; D219-K256 WeakPolarHBondContact OD1-CE 3.46Å; D219-K256 IonicContact OD1-NZ 2.63Å
220K87.6Confident84.8Confident87 Ų8745.8 Ų45.838%0.37825%0.249SC..Hα-helixtrans-59-39.1175.9-179.2177.4175.2-170.30112.1D185 D217 D223 L224D185-K220 WeakPolarHBondContact OD2-CE 3.48Å; D185-K220 IonicContact OD2-NZ 2.81Å; D185-K220 PolarHBondContact OD2-NZ 3.26Å; D217-K220 HydrophobicContact CB-CB 4.43Å; D217-K220 PolarHBondContact O-N 3.18Å; D217-K220 PolarHBondContact OD1-N 3.41Å; D217-K220 WeakPolarHBondContact OD2-CB 3.38Å; K220-D223 PolarHBondContact O-N 3.28Å; K220-L224 HydrophobicContact CD-CD1 4.4Å; K220-L224 HydrophobicContact CG-CD1 3.69Å; K220-L224 HydrophobicContact CG-CG 4.44Å; K220-L224 WeakPolarHBondContact O-CB 3.35Å; K220-L224 WeakPolarHBondContact O-CG 3.35Å; K220-L224 PolarHBondContact O-N 3.27Å
221W87.1Confident85.2Confident1 Ų145.8 Ų45.80%0.00425%0.249CC..Hα-helixtrans-63.8-42.4177-73.114.3000112.3F132 P210 D215 M218 D219 H225 C226F132-W221 HydrophobicContact CE2-CB 4.29Å; F132-W221 AromaticContact CE2-CD2 3.68Å; F132-W221 HydrophobicContact CE2-CD2 3.68Å; F132-W221 AromaticContact CE2-CE2 3.94Å; F132-W221 HydrophobicContact CE2-CE3 4.13Å; F132-W221 AromaticContact CE2-CG 3.74Å; F132-W221 HydrophobicContact CE2-CG 3.74Å; F132-W221 HydrophobicContact CZ-CB 3.86Å; F132-W221 AromaticContact CZ-CD2 3.58Å; F132-W221 HydrophobicContact CZ-CD2 3.58Å; F132-W221 AromaticContact CZ-CE3 3.66Å; F132-W221 HydrophobicContact CZ-CE3 3.66Å; F132-W221 AromaticContact CZ-CG 3.68Å; F132-W221 HydrophobicContact CZ-CG 3.68Å; F132-W221 HydrophobicContact CZ-CZ3 4.43Å; P210-W221 HydrophobicContact CB-CH2 3.67Å; P210-W221 HydrophobicContact CB-CZ2 4.1Å; P210-W221 HydrophobicContact CB-CZ3 4.38Å; P210-W221 HydrophobicContact CG-CH2 3.96Å; P210-W221 HydrophobicContact CG-CZ2 4.05Å; D215-W221 HydrophobicContact CB-CH2 4.23Å; D215-W221 HydrophobicContact CB-CZ2 3.48Å; D215-W221 VanDerWaalsContact CB-CZ2 3.48Å; M218-W221 PolarHBondContact O-N 3.38Å; D219-W221 VanDerWaalsContact C-N 3.28Å; D219-W221 PolarHBondContact O-N 3.11Å; W221-H225 PolarHBondContact O-N 3.01Å; W221-H225 VanDerWaalsContact O-N 3.12Å; W221-C226 PolarHBondContact O-SG 3.45Å; W221-C226 VanDerWaalsContact O-SG 3.33Å
222I85.3Confident85.6Confident0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-64.5-46.7179.5-62.8163.8000110M218 D219 L224 C226 L227 F249 K252 V253 K256M218-I222 WeakPolarHBondContact O-CG1 3.21Å; M218-I222 PolarHBondContact O-N 3.46Å; D219-I222 PolarHBondContact O-N 2.97Å; I222-L224 PolarHBondContact O-N 3.48Å; I222-C226 HydrophobicContact CG2-CB 4.26Å; I222-C226 WeakPolarHBondContact O-CB 3.39Å; I222-C226 PolarHBondContact O-N 3.16Å; I222-L227 HydrophobicContact CG2-CD2 4.18Å; I222-L227 PolarHBondContact O-N 2.89Å; I222-F249 HydrophobicContact CD1-CE2 4.39Å; I222-F249 HydrophobicContact CG1-CE2 4.14Å; I222-F249 HydrophobicContact CG1-CZ 4.16Å; I222-K252 HydrophobicContact CD1-CB 3.7Å; I222-V253 HydrophobicContact CD1-CG2 3.82Å; I222-V253 HydrophobicContact CG1-CG2 4.13Å; I222-K256 HydrophobicContact CB-CD 4.06Å; I222-K256 HydrophobicContact CD1-CD 4.42Å; I222-K256 HydrophobicContact CG2-CB 4.28Å; I222-K256 HydrophobicContact CG2-CD 3.61Å
223D87.5Confident86.1Confident85 Ų8545.5 Ų45.546%0.45525%0.247SC..Hα-helixtrans-65.3-38.9-177-68.3-23.3000113D219 K220 K256D219-D223 PolarHBondContact O-N 3.41Å; K220-D223 PolarHBondContact O-N 3.28Å; D223-K256 IonicContact OD1-NZ 3.91Å; D223-K256 PolarHBondContact OD1-NZ 3.33Å; D223-K256 IonicContact OD2-NZ 2.74Å; D223-K256 PolarHBondContact OD2-NZ 3.47Å
224L88.1Confident86.8Confident97 Ų9741.4 Ų41.451%0.50823%0.225SC..Hα-helixtrans-76.8-43.5-177.5-74.1169.2000112.8D185 K220 I222D185-L224 HydrophobicContact CB-CD1 4.23Å; K220-L224 HydrophobicContact CD-CD1 4.4Å; K220-L224 HydrophobicContact CG-CD1 3.69Å; K220-L224 HydrophobicContact CG-CG 4.44Å; K220-L224 WeakPolarHBondContact O-CB 3.35Å; K220-L224 WeakPolarHBondContact O-CG 3.35Å; K220-L224 PolarHBondContact O-N 3.27Å; I222-L224 PolarHBondContact O-N 3.48Å
225H88.3Confident87.7Confident18 Ų1838 Ų388%0.08321%0.205CC..Hα-helixtrans-124.8-9.4-160.9-59.8-51.5000115.1K97 F132 D185 L207 W221K97-H225 VanDerWaalsContact CE-O 3.29Å; K97-H225 WeakPolarHBondContact CE-O 3.33Å; K97-H225 PolarHBondContact NZ-O 2.85Å; F132-H225 HydrophobicContact CD1-CB 4.31Å; F132-H225 AromaticContact CD2-CD2 3.58Å; F132-H225 HydrophobicContact CE1-CB 4.32Å; F132-H225 AromaticContact CE2-CD2 3.78Å; F132-H225 AromaticContact CG-CD2 3.8Å; D185-H225 PolarHBondContact O-NE2 2.88Å; L207-H225 HydrophobicContact CD2-CB 4.11Å; L207-H225 WeakPolarHBondContact CD2-O 3.3Å; W221-H225 PolarHBondContact O-N 3.01Å; W221-H225 VanDerWaalsContact O-N 3.12Å
226C88.2Confident88.8Confident0 Ų036.1 Ų36.10%020%0.195CC..THydrogen-bonded Turntrans-123.5-13.8-164.5-47.90000115.6F101 W221 I222 D228 A229 F232F101-C226 VanDerWaalsContact CZ-SG 3.54Å; W221-C226 PolarHBondContact O-SG 3.45Å; W221-C226 VanDerWaalsContact O-SG 3.33Å; I222-C226 HydrophobicContact CG2-CB 4.26Å; I222-C226 WeakPolarHBondContact O-CB 3.39Å; I222-C226 PolarHBondContact O-N 3.16Å; C226-D228 PolarHBondContact O-N 2.86Å; C226-A229 VanDerWaalsContact O-CB 3.3Å; C226-A229 WeakPolarHBondContact O-CB 3.41Å; C226-A229 PolarHBondContact O-N 2.87Å; C226-A229 VanDerWaalsContact O-N 3.1Å; C226-F232 HydrophobicContact CB-CE1 3.95Å; C226-F232 HydrophobicContact CB-CZ 4.22Å; C226-F232 WeakPolarHBondContact O-CZ 3.39Å
227L88.2Confident90.1Very high88 Ų8831.8 Ų31.846%0.46117%0.165SC..THydrogen-bonded Turntrans-63.2-24.1-177.5-68.7177.5000113.6I222 L257I222-L227 HydrophobicContact CG2-CD2 4.18Å; I222-L227 PolarHBondContact O-N 2.89Å; L227-L257 HydrophobicContact CD2-CD2 3.95Å
228D89.6Confident90.6Very high85 Ų8528.5 Ų28.546%0.45515%0.149SC..THydrogen-bonded Turntrans-97.45.9178.768.3-39.1000113.6K97 C226 K382K97-D228 WeakPolarHBondContact CD-OD2 3.36Å; K97-D228 VanDerWaalsContact NZ-CG 3.32Å; K97-D228 IonicContact NZ-OD1 2.7Å; K97-D228 PolarHBondContact NZ-OD1 3.39Å; K97-D228 IonicContact NZ-OD2 3.39Å; K97-D228 PolarHBondContact NZ-OD2 3.45Å; K97-D228 VanDerWaalsContact NZ-OD2 3.08Å; C226-D228 PolarHBondContact O-N 2.86Å; D228-K382 PolarHBondContact O-NZ 3.03Å
229A93.1Very high91.1Very high12 Ų1232 Ų3210%0.09916%0.164CC..  trans-76.7131.2177.500000111.3K97 A99 C226 F232K97-A229 HydrophobicContact CG-CB 4.46Å; A99-A229 HydrophobicContact CB-CB 4.14Å; C226-A229 VanDerWaalsContact O-CB 3.3Å; C226-A229 WeakPolarHBondContact O-CB 3.41Å; C226-A229 PolarHBondContact O-N 2.87Å; C226-A229 VanDerWaalsContact O-N 3.1Å; A229-F232 HydrophobicContact CB-CE1 4.23Å; A229-F232 HydrophobicContact CB-CE2 4.01Å; A229-F232 HydrophobicContact CB-CZ 3.75Å
230D94.9Very high91.2Very high8 Ų830.9 Ų30.94%0.04316%0.161CC..SBendtrans-88.7-25.8-178.1-56.3-68.2000112.3K97 L374 S377 A378 T381 K382K97-D230 PolarHBondContact N-OD2 3.1Å; K97-D230 PolarHBondContact O-N 3.27Å; D230-L374 HydrophobicContact CB-CD1 3.95Å; D230-S377 PolarHBondContact O-OG 2.75Å; D230-A378 HydrophobicContact CB-CB 4.02Å; D230-A378 WeakPolarHBondContact OD1-CA 3.44Å; D230-T381 PolarHBondContact OD1-OG1 2.87Å; D230-K382 WeakPolarHBondContact OD1-CE 3.47Å; D230-K382 IonicContact OD1-NZ 2.75Å; D230-K382 WeakPolarHBondContact OD2-CE 3.33Å; D230-K382 IonicContact OD2-NZ 3.12Å; D230-K382 PolarHBondContact OD2-NZ 3.45Å
231V95.7Very high91Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-142.9140.3178174.90000110.3K97 C98 A99 I233 N261 F263 F370 L374K97-V231 PolarHBondContact O-N 3.28Å; C98-V231 WeakPolarHBondContact CA-O 3.09Å; A99-V231 PolarHBondContact N-O 3.41Å; V231-I233 HydrophobicContact CG1-CG1 4.17Å; V231-N261 HydrophobicContact CG2-CB 4.23Å; V231-F263 HydrophobicContact CG1-CD2 3.56Å; V231-F263 HydrophobicContact CG1-CE2 3.87Å; V231-F370 HydrophobicContact CB-CE2 4.24Å; V231-F370 HydrophobicContact CG1-CD2 4.04Å; V231-F370 HydrophobicContact CG1-CE2 3.93Å; V231-L374 HydrophobicContact CB-CD1 4.04Å; V231-L374 HydrophobicContact CG2-CB 4.03Å; V231-L374 HydrophobicContact CG2-CD1 3.74Å
232F96.4Very high91.2Very high2 Ų230.4 Ų30.41%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-113.2138.8172.3-65.3-98.6000110.6A99 F101 C226 A229 F250 V253 L257 P260 N261 I262 F263A99-F232 HydrophobicContact CB-CD1 4.34Å; A99-F232 HydrophobicContact CB-CE1 4.49Å; A99-F232 WeakPolarHBondContact O-CA 3.27Å; F101-F232 HydrophobicContact CD2-CD1 4.06Å; F101-F232 AromaticContact CE2-CD1 3.71Å; F101-F232 HydrophobicContact CE2-CD1 3.71Å; F101-F232 HydrophobicContact CE2-CE1 4.02Å; C226-F232 HydrophobicContact CB-CE1 3.95Å; C226-F232 HydrophobicContact CB-CZ 4.22Å; C226-F232 WeakPolarHBondContact O-CZ 3.39Å; A229-F232 HydrophobicContact CB-CE1 4.23Å; A229-F232 HydrophobicContact CB-CE2 4.01Å; A229-F232 HydrophobicContact CB-CZ 3.75Å; F232-F250 HydrophobicContact CB-CE1 3.7Å; F232-F250 HydrophobicContact CB-CZ 4.29Å; F232-F250 HydrophobicContact CG-CE1 4.38Å; F232-V253 HydrophobicContact CD1-CG1 4.21Å; F232-V253 HydrophobicContact CD2-CG1 4.31Å; F232-V253 HydrophobicContact CE1-CG1 3.93Å; F232-V253 HydrophobicContact CE1-CG2 4.37Å; F232-V253 HydrophobicContact CE2-CG1 4.06Å; F232-V253 HydrophobicContact CG-CG1 4.4Å; F232-V253 HydrophobicContact CZ-CG1 3.87Å; F232-L257 HydrophobicContact CE2-CD1 3.47Å; F232-L257 VanDerWaalsContact CE2-CD1 3.47Å; F232-L257 HydrophobicContact CZ-CD1 3.39Å; F232-P260 HydrophobicContact CD2-CB 4.05Å; F232-P260 HydrophobicContact CE2-CB 4.17Å; F232-N261 PolarHBondContact N-O 3.06Å; F232-I262 HydrophobicContact CB-CG1 4.24Å; F232-I262 CarbonylContact O-C 3.55Å; F232-I262 WeakPolarHBondContact O-CA 3.22Å; F232-F263 PolarHBondContact O-N 2.77Å
233I97.1Very high91.5Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-123.6115.4178.9-58.9-176.2000109.3C98 A99 F100 F101 V231 V235 F263 I265 F366 F370C98-I233 WeakPolarHBondContact SG-CD1 3.39Å; A99-I233 PolarHBondContact O-N 3.49Å; F100-I233 CarbonylContact C-O 3.43Å; F100-I233 WeakPolarHBondContact CA-O 3.24Å; F100-I233 HydrophobicContact CD1-CB 3.86Å; F100-I233 HydrophobicContact CD1-CD1 4.18Å; F100-I233 HydrophobicContact CD1-CG2 3.89Å; F100-I233 HydrophobicContact CE1-CB 4.09Å; F100-I233 HydrophobicContact CE1-CD1 3.51Å; F100-I233 HydrophobicContact CE1-CG1 4.32Å; F100-I233 HydrophobicContact CE1-CG2 4.05Å; F100-I233 HydrophobicContact CE2-CD1 4.45Å; F100-I233 HydrophobicContact CG-CB 4.41Å; F100-I233 HydrophobicContact CZ-CD1 3.67Å; F101-I233 PolarHBondContact N-O 3.1Å; V231-I233 HydrophobicContact CG1-CG1 4.17Å; I233-V235 HydrophobicContact CG2-CG2 4.15Å; I233-F263 HydrophobicContact CG1-CB 4.22Å; I233-I265 HydrophobicContact CG2-CD1 3.51Å; I233-I265 HydrophobicContact CG2-CG1 3.86Å; I233-F366 HydrophobicContact CD1-CE2 4.06Å; I233-F366 HydrophobicContact CD1-CZ 3.8Å; I233-F370 HydrophobicContact CD1-CD2 4Å; I233-F370 HydrophobicContact CD1-CE2 3.91Å
234L96.9Very high91.6Very high0 Ų034.4 Ų34.40%018%0.182CC..EExtended strand (participates in β ladder)trans-87112.8168.9175.754.3000109.8F101 A236 L242 E246 F250 F263 I264 I265F101-L234 CarbonylContact O-C 3.58Å; F101-L234 WeakPolarHBondContact O-CA 3.09Å; L234-A236 PolarHBondContact O-N 2.81Å; L234-L242 HydrophobicContact CD2-CD2 3.61Å; L234-L242 HydrophobicContact CG-CD2 4.46Å; L234-E246 HydrophobicContact CD1-CB 4.03Å; L234-E246 HydrophobicContact CD1-CG 4.19Å; L234-E246 HydrophobicContact CD2-CB 4.42Å; L234-F250 HydrophobicContact CB-CD2 4.39Å; L234-F250 HydrophobicContact CB-CE2 3.58Å; L234-F250 HydrophobicContact CB-CZ 3.76Å; L234-F250 HydrophobicContact CD1-CD2 4.43Å; L234-F250 HydrophobicContact CD1-CE2 3.83Å; L234-F250 HydrophobicContact CD2-CD2 4.18Å; L234-F250 HydrophobicContact CD2-CE2 4.13Å; L234-F250 HydrophobicContact CG-CE2 4.03Å; L234-F263 PolarHBondContact N-O 2.89Å; L234-I264 HydrophobicContact CB-CG1 4.28Å; L234-I264 HydrophobicContact CD2-CG1 4.36Å; L234-I264 WeakPolarHBondContact O-CA 3.27Å; L234-I265 PolarHBondContact O-N 2.9Å
235V96.3Very high91.6Very high0 Ų031.7 Ų31.70%017%0.173CC..EExtended strand (participates in β ladder)trans-91.899.8171.9-172.70000108.9F100 F101 N106 K108 V111 I233 N267F100-V235 HydrophobicContact CD1-CG2 4.26Å; F101-V235 PolarHBondContact O-N 3.46Å; N106-V235 HydrophobicContact CB-CG1 4.41Å; N106-V235 VanDerWaalsContact CB-O 3.31Å; N106-V235 WeakPolarHBondContact CB-O 3.44Å; N106-V235 PolarHBondContact ND2-O 2.85Å; K108-V235 HydrophobicContact CG-CB 3.95Å; K108-V235 HydrophobicContact CG-CG2 4.15Å; V111-V235 HydrophobicContact CG2-CG1 3.91Å; V111-V235 HydrophobicContact CG2-CG2 4.19Å; I233-V235 HydrophobicContact CG2-CG2 4.15Å; V235-N267 HydrophobicContact CG1-CB 3.84Å
236A95.3Very high91.8Very high1 Ų131 Ų311%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-89.7155175.800000110.9L234 L242 I264 I265 N267L234-A236 PolarHBondContact O-N 2.81Å; A236-L242 HydrophobicContact CB-CD2 3.92Å; A236-I264 HydrophobicContact CB-CG2 4.45Å; A236-I265 PolarHBondContact N-O 3.46Å; A236-N267 PolarHBondContact O-N 3.35Å
237N92.9Very high92Very high25 Ų2532.7 Ų32.713%0.13418%0.177CC..EExtended strand (participates in β ladder)trans-91.2112.3172.2174.922.9000109.5E239 S240N237-E239 PolarHBondContact O-N 2.93Å; N237-E239 PolarHBondContact OD1-N 3.24Å; N237-S240 PolarHBondContact ND2-OG 3.41Å; N237-S240 CarbonylContact O-C 3.48Å; N237-S240 PolarHBondContact O-N 3.36Å; N237-S240 PolarHBondContact O-OG 3Å
238A91.7Very high92.1Very high5 Ų531.5 Ų31.54%0.04117%0.171CC..THydrogen-bonded Turntrans-69.7-15.1-174.700000114.6S240 N266 N267 W269 H286A238-S240 PolarHBondContact O-N 3.5Å; A238-N266 HydrophobicContact CB-CB 3.83Å; A238-N267 WeakPolarHBondContact CB-O 3.39Å; A238-N267 PolarHBondContact N-O 2.96Å; A238-W269 HydrophobicContact CB-CD2 4.49Å; A238-W269 HydrophobicContact CB-CE3 3.45Å; A238-W269 VanDerWaalsContact CB-CE3 3.45Å; A238-W269 HydrophobicContact CB-CZ3 4.01Å; A238-H286 PolarHBondContact O-CE1 3.44Å; A238-H286 VanDerWaalsContact O-CE1 3.3Å
239E88.7Confident92.2Very high102 Ų10227.5 Ų27.548%0.47715%0.15SC..THydrogen-bonded Turntrans-68.9-8.4168.2-63.3170.4-134.800112.2N237 R268 A271N237-E239 PolarHBondContact O-N 2.93Å; N237-E239 PolarHBondContact OD1-N 3.24Å; E239-R268 IonicContact OE1-CZ 3.75Å; E239-R268 IonicContact OE1-NE 2.73Å; E239-R268 PolarHBondContact OE1-NE 3.37Å; E239-R268 IonicContact OE1-NH2 3.44Å; E239-R268 PolarHBondContact OE1-NH2 3.36Å; E239-R268 IonicContact OE2-NH2 3Å; E239-R268 PolarHBondContact OE2-NH2 3.37Å; E239-A271 HydrophobicContact CG-CB 3.53Å; E239-A271 WeakPolarHBondContact OE1-CB 3.47Å
240S86Confident92.3Very high33 Ų3326.9 Ų26.923%0.23115%0.145CC..SBendtrans-142.5161.1-178.160.40000111.7N237 A238 H286N237-S240 PolarHBondContact ND2-OG 3.41Å; N237-S240 CarbonylContact O-C 3.48Å; N237-S240 PolarHBondContact O-N 3.36Å; N237-S240 PolarHBondContact O-OG 3Å; A238-S240 PolarHBondContact O-N 3.5Å; S240-H286 PolarHBondContact O-CE1 3.01Å
241T84.1Confident92.2Very high59 Ų5928.8 Ų28.836%0.36215%0.154SC..PPolyproline II helixtrans-76.6163.2177650000111.9M243T241-M243 PolarHBondContact O-N 2.87Å
242L90.8Very high92Very high18 Ų1831 Ų319%0.09416%0.163CC..PPolyproline II helixtrans-49.4126.5168-76.3173.8000110.8L234 A236 I264 C290 F293L234-L242 HydrophobicContact CD2-CD2 3.61Å; L234-L242 HydrophobicContact CG-CD2 4.46Å; A236-L242 HydrophobicContact CB-CD2 3.92Å; L242-I264 HydrophobicContact CD1-CD1 4.39Å; L242-I264 HydrophobicContact CD2-CG2 4.38Å; L242-C290 HydrophobicContact CD1-CB 4.38Å; L242-F293 HydrophobicContact CD1-CB 4.26Å; L242-F293 HydrophobicContact CD1-CD1 4.27Å; L242-F293 HydrophobicContact CD1-CG 4.44Å
243M91.1Very high91.7Very high56 Ų5630.9 Ų30.928%0.27616%0.162SC..PPolyproline II helixtrans-91.5151.3-174.5-64.6-81.7170.400111R103 T241 A245 E246 K247R103-M243 VanDerWaalsContact NH1-CG 3.31Å; R103-M243 PolarHBondContact NH1-SD 3.32Å; T241-M243 PolarHBondContact O-N 2.87Å; M243-A245 VanDerWaalsContact C-N 3.31Å; M243-A245 PolarHBondContact O-N 3.42Å; M243-E246 HydrophobicContact CB-CG 4.26Å; M243-E246 WeakPolarHBondContact CB-OE2 2.99Å; M243-E246 PolarHBondContact N-OE2 3.45Å; M243-E246 WeakPolarHBondContact O-CB 3.45Å; M243-E246 PolarHBondContact O-N 3.22Å; M243-K247 PolarHBondContact O-N 3.44Å; M243-K247 VanDerWaalsContact O-N 3.11Å
244Q89.8Confident91.5Very high114 Ų11432.4 Ų32.453%0.53317%0.173SC..Hα-helixtrans-58.6-41.6-177.8-167.959.742.800112.6E246 K247 D248Q244-E246 VanDerWaalsContact C-N 3.25Å; Q244-E246 PolarHBondContact O-N 3.25Å; Q244-K247 WeakPolarHBondContact O-CB 3.11Å; Q244-K247 PolarHBondContact O-N 2.85Å; Q244-K247 VanDerWaalsContact O-N 3.08Å; Q244-D248 PolarHBondContact NE2-OD1 3.22Å; Q244-D248 PolarHBondContact O-N 3.49Å
245A88Confident91.2Very high40 Ų4039.7 Ų39.733%0.33121%0.207SC..Hα-helixtrans-60.4-34176.900000113.1I212 M243 F249I212-A245 WeakPolarHBondContact CG2-O 3.46Å; M243-A245 VanDerWaalsContact C-N 3.31Å; M243-A245 PolarHBondContact O-N 3.42Å; A245-F249 PolarHBondContact O-N 3.18Å
246E92.2Very high90.8Very high3 Ų342.9 Ų42.91%0.01422%0.221CC..Hα-helixtrans-69.7-42.3175.6-64.3166156.100110.3R103 N106 I212 L234 M243 Q244 F250R103-E246 HydrophobicContact CG-CG 3.92Å; R103-E246 WeakPolarHBondContact CG-OE1 3.31Å; N106-E246 PolarHBondContact ND2-OE1 3.1Å; I212-E246 HydrophobicContact CD1-CB 4.48Å; I212-E246 HydrophobicContact CD1-CG 4.24Å; L234-E246 HydrophobicContact CD1-CB 4.03Å; L234-E246 HydrophobicContact CD1-CG 4.19Å; L234-E246 HydrophobicContact CD2-CB 4.42Å; M243-E246 HydrophobicContact CB-CG 4.26Å; M243-E246 WeakPolarHBondContact CB-OE2 2.99Å; M243-E246 PolarHBondContact N-OE2 3.45Å; M243-E246 WeakPolarHBondContact O-CB 3.45Å; M243-E246 PolarHBondContact O-N 3.22Å; Q244-E246 VanDerWaalsContact C-N 3.25Å; Q244-E246 PolarHBondContact O-N 3.25Å; E246-F250 WeakPolarHBondContact O-CD2 3.35Å; E246-F250 PolarHBondContact O-N 2.8Å
247K93Very high90.4Very high35 Ų3544.4 Ų44.415%0.15223%0.229CC..Hα-helixtrans-62-47.3175-66.1-170.6166.8-160.30112.3M243 Q244 F249 F250 H251 F293 E297M243-K247 PolarHBondContact O-N 3.44Å; M243-K247 VanDerWaalsContact O-N 3.11Å; Q244-K247 WeakPolarHBondContact O-CB 3.11Å; Q244-K247 PolarHBondContact O-N 2.85Å; Q244-K247 VanDerWaalsContact O-N 3.08Å; K247-F249 VanDerWaalsContact C-N 3.29Å; K247-F249 PolarHBondContact O-N 2.94Å; K247-F250 PolarHBondContact O-N 3.15Å; K247-F250 VanDerWaalsContact O-N 3.12Å; K247-H251 PolarHBondContact O-CD2 2.92Å; K247-H251 VanDerWaalsContact O-CD2 3.25Å; K247-H251 PolarHBondContact O-N 3.19Å; K247-F293 HydrophobicContact CB-CD2 4.35Å; K247-F293 HydrophobicContact CB-CE2 3.64Å; K247-F293 HydrophobicContact CB-CZ 3.99Å; K247-F293 HydrophobicContact CD-CD2 3.94Å; K247-F293 HydrophobicContact CD-CE2 4.06Å; K247-F293 HydrophobicContact CG-CD2 3.85Å; K247-F293 HydrophobicContact CG-CE2 3.6Å; K247-F293 HydrophobicContact CG-CG 4.47Å; K247-F293 HydrophobicContact CG-CZ 4Å; K247-E297 VanDerWaalsContact NZ-CD 3.31Å; K247-E297 IonicContact NZ-OE1 2.65Å; K247-E297 PolarHBondContact NZ-OE1 3.44Å; K247-E297 IonicContact NZ-OE2 2.74Å; K247-E297 PolarHBondContact NZ-OE2 3.08Å; K247-E297 VanDerWaalsContact NZ-OE2 3.1Å
248D91.7Very high90Very high64 Ų6448.9 Ų48.934%0.34226%0.262SS..Hα-helixtrans-59.3-39.7-177.8-66-18.1000111.8M218 Q244 H251 K252M218-D248 HydrophobicContact CE-CB 4.34Å; Q244-D248 PolarHBondContact NE2-OD1 3.22Å; Q244-D248 PolarHBondContact O-N 3.49Å; D248-H251 PolarHBondContact O-N 3.41Å; D248-K252 PolarHBondContact O-N 3.07Å
249F91.6Very high89.7Confident0 Ų056.2 Ų56.20%029%0.293CS..Hα-helixtrans-59.6-49.6174.4179.1-95000111.7F101 I212 M218 I222 A245 K247 H251 K252 V253F101-F249 HydrophobicContact CB-CD1 4.32Å; F101-F249 HydrophobicContact CB-CE1 4.02Å; F101-F249 HydrophobicContact CD1-CD1 4.22Å; F101-F249 AromaticContact CD1-CE1 3.42Å; F101-F249 HydrophobicContact CD1-CE1 3.42Å; F101-F249 VanDerWaalsContact CD1-CE1 3.42Å; F101-F249 HydrophobicContact CD1-CE2 4.04Å; F101-F249 AromaticContact CD1-CZ 3.33Å; F101-F249 HydrophobicContact CD1-CZ 3.33Å; F101-F249 AromaticContact CD2-CE1 3.67Å; F101-F249 HydrophobicContact CD2-CE1 3.67Å; F101-F249 HydrophobicContact CD2-CZ 4.11Å; F101-F249 AromaticContact CE1-CE1 3.75Å; F101-F249 HydrophobicContact CE1-CE1 3.75Å; F101-F249 AromaticContact CE1-CE2 3.94Å; F101-F249 HydrophobicContact CE1-CE2 3.94Å; F101-F249 AromaticContact CE1-CZ 3.2Å; F101-F249 HydrophobicContact CE1-CZ 3.2Å; F101-F249 AromaticContact CE2-CE1 3.96Å; F101-F249 HydrophobicContact CE2-CE1 3.96Å; F101-F249 AromaticContact CE2-CZ 3.98Å; F101-F249 HydrophobicContact CE2-CZ 3.98Å; F101-F249 HydrophobicContact CG-CD1 4.15Å; F101-F249 AromaticContact CG-CE1 3.4Å; F101-F249 HydrophobicContact CG-CE1 3.4Å; F101-F249 AromaticContact CG-CZ 3.81Å; F101-F249 HydrophobicContact CG-CZ 3.81Å; F101-F249 HydrophobicContact CZ-CE1 4.02Å; F101-F249 AromaticContact CZ-CZ 3.57Å; F101-F249 HydrophobicContact CZ-CZ 3.57Å; I212-F249 HydrophobicContact CD1-CB 4.08Å; I212-F249 HydrophobicContact CD1-CD1 4.29Å; I212-F249 HydrophobicContact CD1-CG 4.16Å; I212-F249 HydrophobicContact CG1-CG 4.4Å; I212-F249 HydrophobicContact CG2-CB 3.93Å; I212-F249 HydrophobicContact CG2-CG 4.43Å; M218-F249 HydrophobicContact CB-CD2 3.96Å; M218-F249 HydrophobicContact CB-CE2 4.4Å; M218-F249 HydrophobicContact CG-CD2 3.9Å; M218-F249 VanDerWaalsContact SD-CA 3.59Å; M218-F249 HydrophobicContact SD-CB 3.72Å; M218-F249 HydrophobicContact SD-CD2 3.9Å; M218-F249 HydrophobicContact SD-CG 4.33Å; I222-F249 HydrophobicContact CD1-CE2 4.39Å; I222-F249 HydrophobicContact CG1-CE2 4.14Å; I222-F249 HydrophobicContact CG1-CZ 4.16Å; A245-F249 PolarHBondContact O-N 3.18Å; K247-F249 VanDerWaalsContact C-N 3.29Å; K247-F249 PolarHBondContact O-N 2.94Å; F249-H251 VanDerWaalsContact C-N 3.34Å; F249-H251 PolarHBondContact O-N 3.34Å; F249-K252 WeakPolarHBondContact O-CB 3.32Å; F249-K252 PolarHBondContact O-N 3.31Å; F249-K252 VanDerWaalsContact O-N 3.11Å; F249-V253 HydrophobicContact CD1-CG2 4.06Å; F249-V253 HydrophobicContact CE1-CG2 3.57Å; F249-V253 HydrophobicContact CZ-CG2 3.93Å; F249-V253 PolarHBondContact O-N 3.35Å
250F93.5Very high89.8Confident0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-72.9-25.3-178.5-84-82.9000113.4F101 F232 L234 E246 K247 K252 V253 S254 I262 F293 L298F101-F250 HydrophobicContact CB-CE2 3.98Å; F101-F250 HydrophobicContact CB-CZ 4.09Å; F101-F250 HydrophobicContact CD2-CZ 4.4Å; F232-F250 HydrophobicContact CB-CE1 3.7Å; F232-F250 HydrophobicContact CB-CZ 4.29Å; F232-F250 HydrophobicContact CG-CE1 4.38Å; L234-F250 HydrophobicContact CB-CD2 4.39Å; L234-F250 HydrophobicContact CB-CE2 3.58Å; L234-F250 HydrophobicContact CB-CZ 3.76Å; L234-F250 HydrophobicContact CD1-CD2 4.43Å; L234-F250 HydrophobicContact CD1-CE2 3.83Å; L234-F250 HydrophobicContact CD2-CD2 4.18Å; L234-F250 HydrophobicContact CD2-CE2 4.13Å; L234-F250 HydrophobicContact CG-CE2 4.03Å; E246-F250 WeakPolarHBondContact O-CD2 3.35Å; E246-F250 PolarHBondContact O-N 2.8Å; K247-F250 PolarHBondContact O-N 3.15Å; K247-F250 VanDerWaalsContact O-N 3.12Å; F250-K252 VanDerWaalsContact C-N 3.34Å; F250-V253 PolarHBondContact O-N 3.01Å; F250-S254 WeakPolarHBondContact O-CB 3.44Å; F250-S254 PolarHBondContact O-N 3.23Å; F250-S254 PolarHBondContact O-OG 3.44Å; F250-I262 HydrophobicContact CD1-CD1 3.58Å; F250-I262 HydrophobicContact CD1-CG1 3.93Å; F250-I262 HydrophobicContact CD1-CG2 3.93Å; F250-I262 HydrophobicContact CE1-CB 4.44Å; F250-I262 HydrophobicContact CE1-CD1 4.13Å; F250-I262 HydrophobicContact CE1-CG1 3.95Å; F250-I262 HydrophobicContact CE1-CG2 3.64Å; F250-I262 HydrophobicContact CZ-CG2 4.34Å; F250-F293 HydrophobicContact CB-CE1 4.16Å; F250-F293 HydrophobicContact CB-CZ 3.79Å; F250-L298 HydrophobicContact CB-CD1 4.07Å
251H93.3Very high90.1Very high48 Ų4852 Ų5222%0.22227%0.272CS..Hα-helixtrans-59-46.2165.1-80.6-58.7000111.1K247 D248 F249 V253 S254 Q255 E297 L298K247-H251 PolarHBondContact O-CD2 2.92Å; K247-H251 VanDerWaalsContact O-CD2 3.25Å; K247-H251 PolarHBondContact O-N 3.19Å; D248-H251 PolarHBondContact O-N 3.41Å; F249-H251 VanDerWaalsContact C-N 3.34Å; F249-H251 PolarHBondContact O-N 3.34Å; H251-V253 PolarHBondContact O-N 3.23Å; H251-S254 PolarHBondContact O-N 3.05Å; H251-S254 PolarHBondContact O-OG 3.28Å; H251-Q255 WeakPolarHBondContact O-CG 3.35Å; H251-Q255 PolarHBondContact O-N 2.71Å; H251-E297 IonicContact NE2-OE2 3.53Å; H251-L298 WeakPolarHBondContact ND1-CD2 3.47Å
252K91.4Very high90.7Very high45 Ų4549.4 Ų49.420%0.19626%0.256CS..Hα-helixtrans-63-41.1175.3-68.8-177.1171-160.20112.5M218 D219 I222 D248 F249 F250 S254 Q255 K256M218-K252 HydrophobicContact CB-CD 3.74Å; M218-K252 HydrophobicContact CE-CD 4.04Å; M218-K252 HydrophobicContact SD-CD 4.45Å; D219-K252 WeakPolarHBondContact OD2-CE 3.46Å; D219-K252 IonicContact OD2-NZ 2.72Å; D219-K252 PolarHBondContact OD2-NZ 2.72Å; I222-K252 HydrophobicContact CD1-CB 3.7Å; D248-K252 PolarHBondContact O-N 3.07Å; F249-K252 WeakPolarHBondContact O-CB 3.32Å; F249-K252 PolarHBondContact O-N 3.31Å; F249-K252 VanDerWaalsContact O-N 3.11Å; F250-K252 VanDerWaalsContact C-N 3.34Å; K252-S254 VanDerWaalsContact C-N 3.34Å; K252-S254 PolarHBondContact O-N 3.44Å; K252-Q255 PolarHBondContact O-N 3.06Å; K252-K256 PolarHBondContact O-N 3.14Å; K252-K256 VanDerWaalsContact O-N 3.13Å
253V91.3Very high91Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-58.2-46.5174177.30000110.8I222 F232 F249 F250 H251 Q255 K256 L257 P260I222-V253 HydrophobicContact CD1-CG2 3.82Å; I222-V253 HydrophobicContact CG1-CG2 4.13Å; F232-V253 HydrophobicContact CD1-CG1 4.21Å; F232-V253 HydrophobicContact CD2-CG1 4.31Å; F232-V253 HydrophobicContact CE1-CG1 3.93Å; F232-V253 HydrophobicContact CE1-CG2 4.37Å; F232-V253 HydrophobicContact CE2-CG1 4.06Å; F232-V253 HydrophobicContact CG-CG1 4.4Å; F232-V253 HydrophobicContact CZ-CG1 3.87Å; F249-V253 HydrophobicContact CD1-CG2 4.06Å; F249-V253 HydrophobicContact CE1-CG2 3.57Å; F249-V253 HydrophobicContact CZ-CG2 3.93Å; F249-V253 PolarHBondContact O-N 3.35Å; F250-V253 PolarHBondContact O-N 3.01Å; H251-V253 PolarHBondContact O-N 3.23Å; V253-Q255 VanDerWaalsContact C-N 3.26Å; V253-Q255 PolarHBondContact O-N 3.31Å; V253-K256 PolarHBondContact O-N 3.38Å; V253-L257 HydrophobicContact CG1-CD1 4.14Å; V253-L257 PolarHBondContact O-N 3.27Å; V253-P260 HydrophobicContact CG1-CB 4.07Å; V253-P260 HydrophobicContact CG1-CG 4.12Å
254S91.5Very high91.3Very high33 Ų3345.9 Ų45.923%0.23124%0.238CC..Hα-helixtrans-67-22.9178.773.30000114.3F250 H251 K252F250-S254 WeakPolarHBondContact O-CB 3.44Å; F250-S254 PolarHBondContact O-N 3.23Å; F250-S254 PolarHBondContact O-OG 3.44Å; H251-S254 PolarHBondContact O-N 3.05Å; H251-S254 PolarHBondContact O-OG 3.28Å; K252-S254 VanDerWaalsContact C-N 3.34Å; K252-S254 PolarHBondContact O-N 3.44Å
255Q90.8Very high91.6Very high152 Ų15240.4 Ų40.471%0.7121%0.213SC*.Hα-helixtrans-78-33.7174.3-72.5170.211.400112.1H251 K252 V253H251-Q255 WeakPolarHBondContact O-CG 3.35Å; H251-Q255 PolarHBondContact O-N 2.71Å; K252-Q255 PolarHBondContact O-N 3.06Å; V253-Q255 VanDerWaalsContact C-N 3.26Å; V253-Q255 PolarHBondContact O-N 3.31Å
256K89.3Confident92.1Very high68 Ų6838.6 Ų38.630%0.29620%0.197SC..Hα-helixtrans-89.6-31.3-178.3-69.1-171.3174.9-166.80113.5D219 I222 D223 K252 V253D219-K256 PolarHBondContact O-NZ 3.47Å; D219-K256 VanDerWaalsContact OD1-CE 3.3Å; D219-K256 WeakPolarHBondContact OD1-CE 3.46Å; D219-K256 IonicContact OD1-NZ 2.63Å; I222-K256 HydrophobicContact CB-CD 4.06Å; I222-K256 HydrophobicContact CD1-CD 4.42Å; I222-K256 HydrophobicContact CG2-CB 4.28Å; I222-K256 HydrophobicContact CG2-CD 3.61Å; D223-K256 IonicContact OD1-NZ 3.91Å; D223-K256 PolarHBondContact OD1-NZ 3.33Å; D223-K256 IonicContact OD2-NZ 2.74Å; D223-K256 PolarHBondContact OD2-NZ 3.47Å; K252-K256 PolarHBondContact O-N 3.14Å; K252-K256 VanDerWaalsContact O-N 3.13Å; V253-K256 PolarHBondContact O-N 3.38Å
257L86.8Confident92.2Very high32 Ų3238.7 Ų38.717%0.16820%0.198CC..SBendtrans-114.7134.3-178.3-63.4176.9000111.1L227 F232 V253 K259 P260L227-L257 HydrophobicContact CD2-CD2 3.95Å; F232-L257 HydrophobicContact CE2-CD1 3.47Å; F232-L257 VanDerWaalsContact CE2-CD1 3.47Å; F232-L257 HydrophobicContact CZ-CD1 3.39Å; V253-L257 HydrophobicContact CG1-CD1 4.14Å; V253-L257 PolarHBondContact O-N 3.27Å; L257-K259 PolarHBondContact O-N 3.48Å; L257-P260 HydrophobicContact CB-CB 4.32Å; L257-P260 WeakPolarHBondContact O-CD 3.33Å
258S82.8Confident92.1Very high119 Ų11941.5 Ų41.583%0.83221%0.208SC*.SBendtrans-76.5112.7175.961.90000110.5
259K86.8Confident92.2Very high160 Ų16039.3 Ų39.370%0.69619%0.194SC*.SBendtrans51.463.1179.1-63.2-175.1174.1-173.80113.3L257L257-K259 PolarHBondContact O-N 3.48Å
260P91.1Very high92Very high10 Ų1039.9 Ų39.97%0.06520%0.198CC..  trans-62139.4174.828.2-36.7000111F232 V253 L257 I262 V300F232-P260 HydrophobicContact CD2-CB 4.05Å; F232-P260 HydrophobicContact CE2-CB 4.17Å; V253-P260 HydrophobicContact CG1-CB 4.07Å; V253-P260 HydrophobicContact CG1-CG 4.12Å; L257-P260 HydrophobicContact CB-CB 4.32Å; L257-P260 WeakPolarHBondContact O-CD 3.33Å; P260-I262 HydrophobicContact CB-CD1 4.35Å; P260-I262 HydrophobicContact CB-CG1 4.18Å; P260-I262 HydrophobicContact CG-CD1 3.82Å; P260-I262 HydrophobicContact CG-CG1 4.2Å; P260-I262 PolarHBondContact O-N 2.88Å; P260-V300 HydrophobicContact CG-CG1 3.99Å
261N92.1Very high91.7Very high37 Ų3741.1 Ų41.120%0.19821%0.208CC..  trans-79.1105.7173.9-73.3-31.9000109.8V231 F232 S377V231-N261 HydrophobicContact CG2-CB 4.23Å; F232-N261 PolarHBondContact N-O 3.06Å; N261-S377 WeakPolarHBondContact ND2-CB 3.44Å; N261-S377 PolarHBondContact ND2-OG 3.3Å
262I95.6Very high91.2Very high3 Ų339.6 Ų39.62%0.01520%0.203CC..EExtended strand (participates in β ladder)trans-113130.4-174.6-57.8164.1000110F232 F250 P260 L294 L298 V300 H309F232-I262 HydrophobicContact CB-CG1 4.24Å; F232-I262 CarbonylContact O-C 3.55Å; F232-I262 WeakPolarHBondContact O-CA 3.22Å; F250-I262 HydrophobicContact CD1-CD1 3.58Å; F250-I262 HydrophobicContact CD1-CG1 3.93Å; F250-I262 HydrophobicContact CD1-CG2 3.93Å; F250-I262 HydrophobicContact CE1-CB 4.44Å; F250-I262 HydrophobicContact CE1-CD1 4.13Å; F250-I262 HydrophobicContact CE1-CG1 3.95Å; F250-I262 HydrophobicContact CE1-CG2 3.64Å; F250-I262 HydrophobicContact CZ-CG2 4.34Å; P260-I262 HydrophobicContact CB-CD1 4.35Å; P260-I262 HydrophobicContact CB-CG1 4.18Å; P260-I262 HydrophobicContact CG-CD1 3.82Å; P260-I262 HydrophobicContact CG-CG1 4.2Å; P260-I262 PolarHBondContact O-N 2.88Å; I262-L294 HydrophobicContact CB-CD2 3.95Å; I262-L294 HydrophobicContact CG2-CD2 3.82Å; I262-L298 HydrophobicContact CD1-CD1 3.6Å; I262-V300 HydrophobicContact CD1-CG2 4.34Å; I262-H309 PolarHBondContact O-ND1 3.32Å
263F97Very high90.7Very high0 Ų038.4 Ų38.40%020%0.201CC..EExtended strand (participates in β ladder)trans-110.4146.7169.3-73.6-93.9000110.4V231 F232 I233 L234 H309 F311 V369 N373V231-F263 HydrophobicContact CG1-CD2 3.56Å; V231-F263 HydrophobicContact CG1-CE2 3.87Å; F232-F263 PolarHBondContact O-N 2.77Å; I233-F263 HydrophobicContact CG1-CB 4.22Å; L234-F263 PolarHBondContact N-O 2.89Å; F263-H309 WeakPolarHBondContact CA-O 3.33Å; F263-H309 HydrophobicContact CD1-CB 4.09Å; F263-H309 HydrophobicContact CE1-CB 4.3Å; F263-H309 AromaticContact CE1-CD2 3.78Å; F263-H309 AromaticContact CE1-CG 3.9Å; F263-H309 AromaticContact CZ-NE2 3.92Å; F263-F311 HydrophobicContact CD1-CD2 4.42Å; F263-F311 AromaticContact CD1-CE2 3.77Å; F263-F311 HydrophobicContact CD1-CE2 3.77Å; F263-F311 HydrophobicContact CE1-CE2 4.04Å; F263-V369 HydrophobicContact CE1-CG1 3.88Å; F263-V369 HydrophobicContact CZ-CG1 4.19Å; F263-N373 HydrophobicContact CE2-CB 4.04Å; F263-N373 HydrophobicContact CZ-CB 3.86Å
264I97.3Very high89.9Confident0 Ų045.1 Ų45.10%024%0.237CC..EExtended strand (participates in β ladder)trans-120117.9174.9-56.3176.5000109L234 A236 L242 C290 F293 L294 H309 V310 F311L234-I264 HydrophobicContact CB-CG1 4.28Å; L234-I264 HydrophobicContact CD2-CG1 4.36Å; L234-I264 WeakPolarHBondContact O-CA 3.27Å; A236-I264 HydrophobicContact CB-CG2 4.45Å; L242-I264 HydrophobicContact CD1-CD1 4.39Å; L242-I264 HydrophobicContact CD2-CG2 4.38Å; I264-C290 HydrophobicContact CD1-CB 3.88Å; I264-F293 HydrophobicContact CD1-CD1 4.03Å; I264-L294 HydrophobicContact CD1-CD1 4.08Å; I264-L294 HydrophobicContact CD1-CD2 3.97Å; I264-L294 HydrophobicContact CD1-CG 3.88Å; I264-L294 HydrophobicContact CG1-CD1 4.43Å; I264-L294 HydrophobicContact CG1-CD2 4.4Å; I264-H309 PolarHBondContact N-O 2.96Å; I264-V310 HydrophobicContact CB-CG2 4.36Å; I264-V310 WeakPolarHBondContact O-CA 3.15Å; I264-F311 PolarHBondContact O-N 2.97Å
265I97.4Very high89.1Confident0 Ų050.2 Ų50.20%026%0.257CS..EExtended strand (participates in β ladder)trans-104.1106.1174.9-59.4180000107.9V111 I233 L234 A236 N267 V313 F366V111-I265 HydrophobicContact CG1-CD1 3.92Å; I233-I265 HydrophobicContact CG2-CD1 3.51Å; I233-I265 HydrophobicContact CG2-CG1 3.86Å; L234-I265 PolarHBondContact O-N 2.9Å; A236-I265 PolarHBondContact N-O 3.46Å; I265-N267 VanDerWaalsContact C-N 3.33Å; I265-N267 HydrophobicContact CG2-CB 4.26Å; I265-N267 PolarHBondContact O-N 3.27Å; I265-V313 HydrophobicContact CG2-CB 4.49Å; I265-V313 HydrophobicContact CG2-CG2 3.25Å; I265-F366 HydrophobicContact CD1-CD1 4.32Å; I265-F366 HydrophobicContact CD1-CD2 4.15Å; I265-F366 HydrophobicContact CD1-CE1 3.92Å; I265-F366 HydrophobicContact CD1-CE2 3.73Å; I265-F366 HydrophobicContact CD1-CG 4.44Å; I265-F366 HydrophobicContact CD1-CZ 3.62Å; I265-F366 HydrophobicContact CG1-CD2 4.36Å; I265-F366 HydrophobicContact CG1-CE2 4.25Å
266N96.7Very high88.1Confident1 Ų148.7 Ų48.71%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-75.388.7166.4-67.9-76.5000107.9A238 V310 F311 F312 V313A238-N266 HydrophobicContact CB-CB 3.83Å; N266-V310 WeakPolarHBondContact ND2-CG1 3.43Å; N266-F311 WeakPolarHBondContact CB-O 3.46Å; N266-F311 PolarHBondContact N-O 3.05Å; N266-F312 HydrophobicContact CB-CD1 3.7Å; N266-F312 HydrophobicContact CB-CE1 3.91Å; N266-F312 HydrophobicContact CB-CG 4.27Å; N266-V313 PolarHBondContact O-N 3.38Å
267N95.1Very high87.6Confident5 Ų553 Ų533%0.02727%0.274CS..EExtended strand (participates in β ladder)trans-83.7165.6-177.5-172.134.2000111.5N106 V235 A236 A238 I265 W269 V313 A315N106-N267 PolarHBondContact O-ND2 3.35Å; V235-N267 HydrophobicContact CG1-CB 3.84Å; A236-N267 PolarHBondContact O-N 3.35Å; A238-N267 WeakPolarHBondContact CB-O 3.39Å; A238-N267 PolarHBondContact N-O 2.96Å; I265-N267 VanDerWaalsContact C-N 3.33Å; I265-N267 HydrophobicContact CG2-CB 4.26Å; I265-N267 PolarHBondContact O-N 3.27Å; N267-W269 VanDerWaalsContact C-N 3.27Å; N267-V313 CarbonylContact C-O 3.58Å; N267-V313 WeakPolarHBondContact CA-O 3.48Å; N267-A315 WeakPolarHBondContact OD1-CB 3.34Å; N267-A315 PolarHBondContact OD1-N 3.21Å
268R91.9Very high87.2Confident95 Ų9558.4 Ų58.436%0.35829%0.293SS..  trans66.527.2-175.1-53.1176.457.2164.2-4.3113.2E239 D270 A271 V313E239-R268 IonicContact OE1-CZ 3.75Å; E239-R268 IonicContact OE1-NE 2.73Å; E239-R268 PolarHBondContact OE1-NE 3.37Å; E239-R268 IonicContact OE1-NH2 3.44Å; E239-R268 PolarHBondContact OE1-NH2 3.36Å; E239-R268 IonicContact OE2-NH2 3Å; E239-R268 PolarHBondContact OE2-NH2 3.37Å; R268-D270 WeakPolarHBondContact CA-OD1 3.41Å; R268-D270 PolarHBondContact O-N 3.07Å; R268-D270 VanDerWaalsContact O-N 3.1Å; R268-A271 WeakPolarHBondContact O-CB 3.17Å; R268-A271 PolarHBondContact O-N 2.67Å; R268-V313 PolarHBondContact N-O 3.38Å; R268-V313 VanDerWaalsContact N-O 3.12Å
269W92.2Very high87.3Confident17 Ų1754.8 Ų54.86%0.06426%0.264CS..G310 helixtrans-64.7-13176.8-163.3-118.5000113.1A238 N267 A271 S272 I279 V282 R283 F312 V313A238-W269 HydrophobicContact CB-CD2 4.49Å; A238-W269 HydrophobicContact CB-CE3 3.45Å; A238-W269 VanDerWaalsContact CB-CE3 3.45Å; A238-W269 HydrophobicContact CB-CZ3 4.01Å; N267-W269 VanDerWaalsContact C-N 3.27Å; W269-A271 PolarHBondContact O-N 3.28Å; W269-S272 WeakPolarHBondContact O-CB 3.35Å; W269-S272 PolarHBondContact O-N 3.03Å; W269-S272 PolarHBondContact O-OG 3.32Å; W269-I279 HydrophobicContact CZ2-CG1 3.88Å; W269-V282 HydrophobicContact CH2-CB 4.4Å; W269-V282 HydrophobicContact CH2-CG1 3.95Å; W269-V282 HydrophobicContact CZ3-CG1 4.22Å; W269-R283 HydrophobicContact CH2-CB 4.06Å; W269-R283 HydrophobicContact CZ2-CB 3.76Å; W269-R283 HydrophobicContact CZ2-CG 4.16Å; W269-F312 HydrophobicContact CB-CB 4.42Å; W269-F312 HydrophobicContact CD2-CB 4.13Å; W269-F312 AromaticContact CD2-CD1 3.77Å; W269-F312 HydrophobicContact CD2-CD1 3.77Å; W269-F312 HydrophobicContact CD2-CG 4.4Å; W269-F312 AromaticContact CE2-CD1 3.93Å; W269-F312 AromaticContact CE3-CD1 3.78Å; W269-F312 HydrophobicContact CE3-CD1 3.78Å; W269-F312 HydrophobicContact CE3-CE1 4.43Å; W269-F312 HydrophobicContact CG-CB 3.91Å; W269-F312 HydrophobicContact CG-CD1 4.39Å; W269-F312 HydrophobicContact CH2-CD1 4.04Å; W269-F312 HydrophobicContact CH2-CE1 4.16Å; W269-F312 HydrophobicContact CZ2-CD1 4.09Å; W269-F312 AromaticContact CZ3-CD1 3.89Å; W269-F312 HydrophobicContact CZ3-CD1 3.89Å; W269-F312 HydrophobicContact CZ3-CE1 4.11Å; W269-V313 WeakPolarHBondContact CB-O 3.45Å; W269-V313 PolarHBondContact N-O 3.3Å
270D89.1Confident87.3Confident13 Ų1352.8 Ų52.87%0.0726%0.261CS..G310 helixtrans-58.9-27.1169.153.1-69.9000113.6R268 S272 A273 S314 R316R268-D270 WeakPolarHBondContact CA-OD1 3.41Å; R268-D270 PolarHBondContact O-N 3.07Å; R268-D270 VanDerWaalsContact O-N 3.1Å; D270-S272 VanDerWaalsContact C-N 3.26Å; D270-S272 PolarHBondContact O-N 2.89Å; D270-A273 WeakPolarHBondContact O-CB 3.45Å; D270-A273 PolarHBondContact O-N 3.46Å; D270-S314 VanDerWaalsContact OD1-CB 3.23Å; D270-S314 WeakPolarHBondContact OD1-CB 3.46Å; D270-S314 PolarHBondContact OD1-OG 3.2Å; D270-R316 IonicContact OD2-CZ 3.08Å; D270-R316 IonicContact OD2-NE 3.25Å; D270-R316 IonicContact OD2-NH2 2.78Å; D270-R316 PolarHBondContact OD2-NH2 3.34Å
271A87.1Confident87.1Confident25 Ų2558 Ų5821%0.20729%0.285CS..G310 helixtrans-66-28.617700000113.1E239 R268 W269 A273 N274E239-A271 HydrophobicContact CG-CB 3.53Å; E239-A271 WeakPolarHBondContact OE1-CB 3.47Å; R268-A271 WeakPolarHBondContact O-CB 3.17Å; R268-A271 PolarHBondContact O-N 2.67Å; W269-A271 PolarHBondContact O-N 3.28Å; A271-A273 PolarHBondContact O-N 2.63Å; A271-N274 PolarHBondContact O-N 3.12Å
272S82.7Confident87Confident17 Ų1758.5 Ų58.512%0.11929%0.288CS..G310 helixtrans-65.4-22.7-179.969.50000113.3W269 D270 N274 E275 I279W269-S272 WeakPolarHBondContact O-CB 3.35Å; W269-S272 PolarHBondContact O-N 3.03Å; W269-S272 PolarHBondContact O-OG 3.32Å; D270-S272 VanDerWaalsContact C-N 3.26Å; D270-S272 PolarHBondContact O-N 2.89Å; S272-N274 PolarHBondContact O-N 3.43Å; S272-N274 VanDerWaalsContact O-N 3.16Å; S272-E275 CarbonylContact O-C 3.58Å; S272-E275 PolarHBondContact O-N 3.02Å; S272-I279 VanDerWaalsContact OG-CD1 3.27Å; S272-I279 WeakPolarHBondContact OG-CD1 3.46Å
273A79.9Confident86.8Confident20 Ų2062.7 Ų62.717%0.16530%0.304CS..G310 helixtrans-66.4-15.7178.100000113.3D270 A271 E275 I276 A353D270-A273 WeakPolarHBondContact O-CB 3.45Å; D270-A273 PolarHBondContact O-N 3.46Å; A271-A273 PolarHBondContact O-N 2.63Å; A273-E275 VanDerWaalsContact C-N 3.32Å; A273-I276 WeakPolarHBondContact O-CG1 3.49Å; A273-A353 HydrophobicContact CB-CB 3.38Å
274N74.6Confident86.6Confident140 Ų14067 Ų6775%0.74932%0.324SS*.G310 helixtrans-82.3-10.9172.4-61.7-32.1000112.8A271 S272A271-N274 PolarHBondContact O-N 3.12Å; S272-N274 PolarHBondContact O-N 3.43Å; S272-N274 VanDerWaalsContact O-N 3.16Å
275E74.5Confident86.4Confident140 Ų14071.2 Ų71.265%0.65434%0.344SS*.  trans-127.158-175.8-64.9-175.5-17300111.2S272 A273 E277 Y278S272-E275 CarbonylContact O-C 3.58Å; S272-E275 PolarHBondContact O-N 3.02Å; A273-E275 VanDerWaalsContact C-N 3.32Å; E275-E277 PolarHBondContact O-N 3.32Å; E275-E277 VanDerWaalsContact O-N 3.15Å; E275-Y278 PolarHBondContact O-N 2.9Å
276I70.4Confident86.2Confident120 Ų12071.6 Ų71.662%0.61535%0.346SS*.G310 helixtrans-60.1-30-169.3-55.8170.1000113.1A273 Y278 I279A273-I276 WeakPolarHBondContact O-CG1 3.49Å; I276-Y278 VanDerWaalsContact C-N 3.32Å; I276-Y278 PolarHBondContact O-N 2.76Å; I276-I279 WeakPolarHBondContact O-CG2 3.36Å
277E79Confident86.1Confident160 Ų16073.4 Ų73.475%0.74836%0.355SS*.G310 helixtrans-64.9-27.6-173.3-72.5-173.7175.300114.7E275E275-E277 PolarHBondContact O-N 3.32Å; E275-E277 VanDerWaalsContact O-N 3.15Å
278Y78.1Confident86.1Confident144 Ų14478 Ų7857%0.56538%0.376SS*.G310 helixtrans-123.510.4-174.2-58-74.1000113.8E275 I276 N280 E281 V282E275-Y278 PolarHBondContact O-N 2.9Å; I276-Y278 VanDerWaalsContact C-N 3.32Å; I276-Y278 PolarHBondContact O-N 2.76Å; Y278-N280 VanDerWaalsContact C-N 3.26Å; Y278-N280 PolarHBondContact O-N 3.05Å; Y278-E281 WeakPolarHBondContact CA-OE2 3.5Å; Y278-E281 PolarHBondContact O-N 3.06Å; Y278-V282 WeakPolarHBondContact O-CB 3.42Å; Y278-V282 VanDerWaalsContact O-CG2 3.25Å; Y278-V282 WeakPolarHBondContact O-CG2 3.5Å; Y278-V282 PolarHBondContact O-N 3.43Å
279I85.1Confident86.2Confident44 Ų4478.1 Ų78.123%0.22638%0.377CS..Hα-helixtrans-58.4-36.8-171.2-169167.7000112.9W269 S272 I276 R283W269-I279 HydrophobicContact CZ2-CG1 3.88Å; S272-I279 VanDerWaalsContact OG-CD1 3.27Å; S272-I279 WeakPolarHBondContact OG-CD1 3.46Å; I276-I279 WeakPolarHBondContact O-CG2 3.36Å; I279-R283 WeakPolarHBondContact O-CB 3.5Å; I279-R283 PolarHBondContact O-N 2.92Å
280N86Confident86.4Confident117 Ų11777.3 Ų77.363%0.62637%0.374SS*.Hα-helixtrans-76.1-43.1-178.4-69.8-32.1000111.5Y278 V282 R283 E284Y278-N280 VanDerWaalsContact C-N 3.26Å; Y278-N280 PolarHBondContact O-N 3.05Å; N280-V282 VanDerWaalsContact C-N 3.33Å; N280-V282 PolarHBondContact O-N 2.93Å; N280-R283 PolarHBondContact O-N 3.48Å; N280-E284 WeakPolarHBondContact O-CB 2.81Å; N280-E284 PolarHBondContact O-N 3.34Å
281E88.1Confident86.8Confident121 Ų12176.9 Ų76.957%0.56537%0.372SS*.Hα-helixtrans-62.6-41.4175.4-6779.8-177.500111.2Y278 Q285Y278-E281 WeakPolarHBondContact CA-OE2 3.5Å; Y278-E281 PolarHBondContact O-N 3.06Å; E281-Q285 VanDerWaalsContact O-CB 3.27Å; E281-Q285 WeakPolarHBondContact O-CB 3.32Å; E281-Q285 PolarHBondContact O-N 2.86Å
282V89.2Confident87.2Confident46 Ų4677 Ų7728%0.27937%0.373SS..Hα-helixtrans-66.2-45.1175.6176.80000110.4W269 Y278 N280 E284 Q285 H286W269-V282 HydrophobicContact CH2-CB 4.4Å; W269-V282 HydrophobicContact CH2-CG1 3.95Å; W269-V282 HydrophobicContact CZ3-CG1 4.22Å; Y278-V282 WeakPolarHBondContact O-CB 3.42Å; Y278-V282 VanDerWaalsContact O-CG2 3.25Å; Y278-V282 WeakPolarHBondContact O-CG2 3.5Å; Y278-V282 PolarHBondContact O-N 3.43Å; N280-V282 VanDerWaalsContact C-N 3.33Å; N280-V282 PolarHBondContact O-N 2.93Å; V282-E284 PolarHBondContact O-N 3.17Å; V282-Q285 PolarHBondContact O-N 3.48Å; V282-H286 PolarHBondContact O-CD2 3.24Å; V282-H286 PolarHBondContact O-N 3.43Å
283R91.6Very high87.8Confident91 Ų9176.2 Ų76.234%0.34337%0.367SS..Hα-helixtrans-56.9-49.6176.6-169.8178-177.2159.42.3111.2W269 I279 N280 Q285 H286 L287 F312 E362W269-R283 HydrophobicContact CH2-CB 4.06Å; W269-R283 HydrophobicContact CZ2-CB 3.76Å; W269-R283 HydrophobicContact CZ2-CG 4.16Å; I279-R283 WeakPolarHBondContact O-CB 3.5Å; I279-R283 PolarHBondContact O-N 2.92Å; N280-R283 PolarHBondContact O-N 3.48Å; R283-Q285 PolarHBondContact O-N 3.03Å; R283-H286 PolarHBondContact O-N 2.8Å; R283-L287 WeakPolarHBondContact O-CB 3.35Å; R283-L287 PolarHBondContact O-N 3.5Å; R283-F312 HydrophobicContact CG-CD1 4.17Å; R283-F312 HydrophobicContact CG-CD2 3.94Å; R283-F312 HydrophobicContact CG-CE1 3.98Å; R283-F312 HydrophobicContact CG-CE2 3.75Å; R283-F312 HydrophobicContact CG-CG 4.14Å; R283-F312 HydrophobicContact CG-CZ 3.77Å; R283-F312 VanDerWaalsContact O-CZ 3.3Å; R283-F312 WeakPolarHBondContact O-CZ 3.41Å; R283-E362 VanDerWaalsContact NH2-CD 3.3Å; R283-E362 IonicContact NH2-OE1 3.97Å; R283-E362 PolarHBondContact NH2-OE1 3.34Å; R283-E362 IonicContact NH2-OE2 3.98Å; R283-E362 PolarHBondContact NH2-OE2 3.4Å
284E92.4Very high88.6Confident91 Ų9175.3 Ų75.343%0.42536%0.36SS..Hα-helixtrans-62.5-43.4180-176.556.9-15200111.2N280 V282 H286 L287 Q288N280-E284 WeakPolarHBondContact O-CB 2.81Å; N280-E284 PolarHBondContact O-N 3.34Å; V282-E284 PolarHBondContact O-N 3.17Å; E284-H286 PolarHBondContact O-N 3.43Å; E284-L287 PolarHBondContact O-N 3.32Å; E284-Q288 HydrophobicContact CG-CG 4.49Å; E284-Q288 WeakPolarHBondContact O-CB 3.38Å; E284-Q288 VanDerWaalsContact O-CG 3.29Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.04Å; E284-Q288 WeakPolarHBondContact OE1-CG 3.3Å; E284-Q288 PolarHBondContact OE1-NE2 3.48Å
285Q92.4Very high89.7Confident88 Ų8869.9 Ų69.941%0.41133%0.331SS..Hα-helixtrans-62.5-42.2177.6-166.5-172.154.600112.2E281 V282 R283 R289E281-Q285 VanDerWaalsContact O-CB 3.27Å; E281-Q285 WeakPolarHBondContact O-CB 3.32Å; E281-Q285 PolarHBondContact O-N 2.86Å; V282-Q285 PolarHBondContact O-N 3.48Å; R283-Q285 PolarHBondContact O-N 3.03Å; Q285-R289 VanDerWaalsContact CD-NH2 3.26Å; Q285-R289 WeakPolarHBondContact O-CG 3.44Å; Q285-R289 PolarHBondContact O-N 2.97Å; Q285-R289 VanDerWaalsContact O-N 3.11Å
286H93.6Very high90.7Very high9 Ų967.7 Ų67.74%0.04232%0.324CS..Hα-helixtrans-66.3-43.5175.8-82.3-117.5000111.5A238 S240 V282 R283 E284 R289 C290 F312A238-H286 PolarHBondContact O-CE1 3.44Å; A238-H286 VanDerWaalsContact O-CE1 3.3Å; S240-H286 PolarHBondContact O-CE1 3.01Å; V282-H286 PolarHBondContact O-CD2 3.24Å; V282-H286 PolarHBondContact O-N 3.43Å; R283-H286 PolarHBondContact O-N 2.8Å; E284-H286 PolarHBondContact O-N 3.43Å; H286-R289 PolarHBondContact O-N 3.14Å; H286-C290 WeakPolarHBondContact O-CB 3.43Å; H286-C290 PolarHBondContact O-N 3.33Å; H286-C290 PolarHBondContact O-SG 3.18Å; H286-F312 HydrophobicContact CB-CE1 3.61Å; H286-F312 HydrophobicContact CB-CZ 3.65Å
287L95Very high91.9Very high38 Ų3865.6 Ų65.620%0.19931%0.312CS..Hα-helixtrans-58.5-51.3177.3178.961.1000110.6R283 E284 R289 C290 V291 V310 F312R283-L287 WeakPolarHBondContact O-CB 3.35Å; R283-L287 PolarHBondContact O-N 3.5Å; E284-L287 PolarHBondContact O-N 3.32Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 3.23Å; L287-C290 PolarHBondContact O-N 3.21Å; L287-C290 VanDerWaalsContact O-N 3.17Å; L287-V291 HydrophobicContact CD1-CG2 3.99Å; L287-V291 HydrophobicContact CG-CG2 4.36Å; L287-V291 WeakPolarHBondContact O-CB 3.32Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.29Å; L287-V291 PolarHBondContact O-N 3Å; L287-V310 HydrophobicContact CD1-CB 3.81Å; L287-V310 HydrophobicContact CD1-CG1 3.91Å; L287-V310 HydrophobicContact CD1-CG2 4.38Å; L287-F312 HydrophobicContact CB-CE2 4.26Å; L287-F312 HydrophobicContact CB-CZ 4.29Å
288Q95Very high92.6Very high102 Ų10258.6 Ų58.648%0.47728%0.28SS..Hα-helixtrans-58.4-42.8178.6-72.8179.74.200112.5E284 A292E284-Q288 HydrophobicContact CG-CG 4.49Å; E284-Q288 WeakPolarHBondContact O-CB 3.38Å; E284-Q288 VanDerWaalsContact O-CG 3.29Å; E284-Q288 WeakPolarHBondContact O-CG 3.48Å; E284-Q288 PolarHBondContact O-N 3.04Å; E284-Q288 WeakPolarHBondContact OE1-CG 3.3Å; E284-Q288 PolarHBondContact OE1-NE2 3.48Å; Q288-A292 VanDerWaalsContact O-CB 3.26Å; Q288-A292 WeakPolarHBondContact O-CB 3.42Å; Q288-A292 PolarHBondContact O-N 3.35Å
289R94.8Very high93.4Very high97 Ų9759.5 Ų59.537%0.36629%0.286SS..Hα-helixtrans-65.4-41.4176.8-75.4178.6179.6133.70.8112.5Q285 H286 L287 F293Q285-R289 VanDerWaalsContact CD-NH2 3.26Å; Q285-R289 WeakPolarHBondContact O-CG 3.44Å; Q285-R289 PolarHBondContact O-N 2.97Å; Q285-R289 VanDerWaalsContact O-N 3.11Å; H286-R289 PolarHBondContact O-N 3.14Å; L287-R289 VanDerWaalsContact C-N 3.33Å; L287-R289 PolarHBondContact O-N 3.23Å; R289-F293 WeakPolarHBondContact O-CB 3.16Å; R289-F293 PolarHBondContact O-N 3.31Å
290C96.3Very high93.7Very high1 Ų158.5 Ų58.51%0.00728%0.282CS..Hα-helixtrans-66.7-43.5178-66.40000111.1L242 I264 H286 L287 F293 L294 V310L242-C290 HydrophobicContact CD1-CB 4.38Å; I264-C290 HydrophobicContact CD1-CB 3.88Å; H286-C290 WeakPolarHBondContact O-CB 3.43Å; H286-C290 PolarHBondContact O-N 3.33Å; H286-C290 PolarHBondContact O-SG 3.18Å; L287-C290 PolarHBondContact O-N 3.21Å; L287-C290 VanDerWaalsContact O-N 3.17Å; C290-F293 WeakPolarHBondContact O-CB 3.48Å; C290-F293 PolarHBondContact O-N 3.29Å; C290-L294 WeakPolarHBondContact O-CG 3.37Å; C290-L294 PolarHBondContact O-N 3.5Å; C290-V310 HydrophobicContact CB-CB 4.32Å; C290-V310 HydrophobicContact CB-CG1 3.74Å; C290-V310 HydrophobicContact CB-CG2 3.52Å
291V96.3Very high94Very high4 Ų454 Ų542%0.02426%0.26CS..Hα-helixtrans-63.5-47.5176.6169.50000110.9L287 F293 L294 V295 R303 A306 E307L287-V291 HydrophobicContact CD1-CG2 3.99Å; L287-V291 HydrophobicContact CG-CG2 4.36Å; L287-V291 WeakPolarHBondContact O-CB 3.32Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.29Å; L287-V291 PolarHBondContact O-N 3Å; V291-F293 VanDerWaalsContact C-N 3.26Å; V291-F293 PolarHBondContact O-N 3.23Å; V291-L294 PolarHBondContact O-N 3.04Å; V291-V295 HydrophobicContact CG1-CG2 4.12Å; V291-V295 WeakPolarHBondContact O-CB 3.47Å; V291-V295 VanDerWaalsContact O-CG2 3.26Å; V291-V295 WeakPolarHBondContact O-CG2 3.4Å; V291-V295 PolarHBondContact O-N 3.45Å; V291-R303 HydrophobicContact CG1-CG 3.72Å; V291-A306 HydrophobicContact CB-CB 4.4Å; V291-A306 HydrophobicContact CG1-CB 4.05Å; V291-A306 HydrophobicContact CG2-CB 4.18Å; V291-E307 HydrophobicContact CG2-CG 3.92Å
292A96Very high94.2Very high28 Ų2851.8 Ų51.823%0.23126%0.255CS..Hα-helixtrans-59.4-38.6175.700000111.7Q288 D296 E297Q288-A292 VanDerWaalsContact O-CB 3.26Å; Q288-A292 WeakPolarHBondContact O-CB 3.42Å; Q288-A292 PolarHBondContact O-N 3.35Å; A292-D296 WeakPolarHBondContact CA-OD2 3.47Å; A292-D296 WeakPolarHBondContact O-CA 3.37Å; A292-D296 VanDerWaalsContact O-CB 3.26Å; A292-D296 WeakPolarHBondContact O-CB 3.47Å; A292-D296 PolarHBondContact O-N 3.24Å; A292-E297 PolarHBondContact O-N 3.23Å; A292-E297 VanDerWaalsContact O-N 3.14Å
293F96.5Very high94.4Very high0 Ų056.2 Ų56.20%027%0.266CS..Iπ-helixtrans-63-46.7175.8177.9-120000112.3L242 K247 F250 I264 R289 C290 V291 E297 L298L242-F293 HydrophobicContact CD1-CB 4.26Å; L242-F293 HydrophobicContact CD1-CD1 4.27Å; L242-F293 HydrophobicContact CD1-CG 4.44Å; K247-F293 HydrophobicContact CB-CD2 4.35Å; K247-F293 HydrophobicContact CB-CE2 3.64Å; K247-F293 HydrophobicContact CB-CZ 3.99Å; K247-F293 HydrophobicContact CD-CD2 3.94Å; K247-F293 HydrophobicContact CD-CE2 4.06Å; K247-F293 HydrophobicContact CG-CD2 3.85Å; K247-F293 HydrophobicContact CG-CE2 3.6Å; K247-F293 HydrophobicContact CG-CG 4.47Å; K247-F293 HydrophobicContact CG-CZ 4Å; F250-F293 HydrophobicContact CB-CE1 4.16Å; F250-F293 HydrophobicContact CB-CZ 3.79Å; I264-F293 HydrophobicContact CD1-CD1 4.03Å; R289-F293 WeakPolarHBondContact O-CB 3.16Å; R289-F293 PolarHBondContact O-N 3.31Å; C290-F293 WeakPolarHBondContact O-CB 3.48Å; C290-F293 PolarHBondContact O-N 3.29Å; V291-F293 VanDerWaalsContact C-N 3.26Å; V291-F293 PolarHBondContact O-N 3.23Å; F293-E297 HydrophobicContact CD2-CB 3.95Å; F293-E297 HydrophobicContact CD2-CG 4.41Å; F293-E297 HydrophobicContact CE2-CB 4.48Å; F293-E297 WeakPolarHBondContact O-CB 3.32Å; F293-L298 HydrophobicContact CD1-CD1 4.3Å; F293-L298 HydrophobicContact CD2-CG 4.31Å; F293-L298 HydrophobicContact CE1-CD1 3.68Å; F293-L298 HydrophobicContact CE1-CG 4.23Å; F293-L298 HydrophobicContact CE2-CD1 4.17Å; F293-L298 HydrophobicContact CE2-CD2 3.91Å; F293-L298 HydrophobicContact CE2-CG 3.83Å; F293-L298 HydrophobicContact CZ-CD1 3.59Å; F293-L298 HydrophobicContact CZ-CD2 3.92Å; F293-L298 HydrophobicContact CZ-CG 3.78Å; F293-L298 WeakPolarHBondContact O-CG 3.32Å; F293-L298 PolarHBondContact O-N 3.36Å
294L96.2Very high94.3Very high0 Ų057.4 Ų57.40%028%0.284CS..Iπ-helixtrans-69.6-38.2179.8-65178000113.2I262 I264 C290 V291 L298 K299 V300 A306 H309 V310I262-L294 HydrophobicContact CB-CD2 3.95Å; I262-L294 HydrophobicContact CG2-CD2 3.82Å; I264-L294 HydrophobicContact CD1-CD1 4.08Å; I264-L294 HydrophobicContact CD1-CD2 3.97Å; I264-L294 HydrophobicContact CD1-CG 3.88Å; I264-L294 HydrophobicContact CG1-CD1 4.43Å; I264-L294 HydrophobicContact CG1-CD2 4.4Å; C290-L294 WeakPolarHBondContact O-CG 3.37Å; C290-L294 PolarHBondContact O-N 3.5Å; V291-L294 PolarHBondContact O-N 3.04Å; L294-L298 HydrophobicContact CD2-CD1 4.26Å; L294-K299 PolarHBondContact O-N 3.44Å; L294-K299 VanDerWaalsContact O-N 3.11Å; L294-V300 HydrophobicContact CB-CG2 4.49Å; L294-V300 HydrophobicContact CD2-CG2 4.39Å; L294-V300 WeakPolarHBondContact O-CG2 3.46Å; L294-V300 PolarHBondContact O-N 3.42Å; L294-A306 HydrophobicContact CB-CB 4.22Å; L294-A306 HydrophobicContact CD1-CB 4.24Å; L294-H309 HydrophobicContact CD1-CB 4.21Å; L294-V310 HydrophobicContact CD1-CG2 4.34Å
295V96.2Very high94.2Very high26 Ų2657.8 Ų57.816%0.15829%0.286CS..Iπ-helixtrans-92.4-51.9-171.4-179.80000112.3V291 K299 R303 A306V291-V295 HydrophobicContact CG1-CG2 4.12Å; V291-V295 WeakPolarHBondContact O-CB 3.47Å; V291-V295 VanDerWaalsContact O-CG2 3.26Å; V291-V295 WeakPolarHBondContact O-CG2 3.4Å; V291-V295 PolarHBondContact O-N 3.45Å; V295-K299 VanDerWaalsContact O-CA 3.28Å; V295-K299 WeakPolarHBondContact O-CA 3.38Å; V295-K299 WeakPolarHBondContact O-CG 3.38Å; V295-K299 PolarHBondContact O-N 3.15Å; V295-R303 HydrophobicContact CG2-CB 4.42Å; V295-A306 HydrophobicContact CG2-CB 3.56Å
296D95.8Very high94.2Very high94 Ų9453.6 Ų53.650%0.50327%0.266SS..Iπ-helixtrans-87.7-42.1-170.1-55-38.1000111A292 K299A292-D296 WeakPolarHBondContact CA-OD2 3.47Å; A292-D296 WeakPolarHBondContact O-CA 3.37Å; A292-D296 VanDerWaalsContact O-CB 3.26Å; A292-D296 WeakPolarHBondContact O-CB 3.47Å; A292-D296 PolarHBondContact O-N 3.24Å; D296-K299 WeakPolarHBondContact O-CE 3.37Å
297E95.6Very high94.2Very high76 Ų7658 Ų5836%0.35529%0.287SS..Iπ-helixtrans-83.5-56.4-178.4-63.1178-124.100111.9K247 H251 A292 F293K247-E297 VanDerWaalsContact NZ-CD 3.31Å; K247-E297 IonicContact NZ-OE1 2.65Å; K247-E297 PolarHBondContact NZ-OE1 3.44Å; K247-E297 IonicContact NZ-OE2 2.74Å; K247-E297 PolarHBondContact NZ-OE2 3.08Å; K247-E297 VanDerWaalsContact NZ-OE2 3.1Å; H251-E297 IonicContact NE2-OE2 3.53Å; A292-E297 PolarHBondContact O-N 3.23Å; A292-E297 VanDerWaalsContact O-N 3.14Å; F293-E297 HydrophobicContact CD2-CB 3.95Å; F293-E297 HydrophobicContact CD2-CG 4.41Å; F293-E297 HydrophobicContact CE2-CB 4.48Å; F293-E297 WeakPolarHBondContact O-CB 3.32Å
298L94.8Very high94.1Very high14 Ų1457.8 Ų57.87%0.07329%0.293CS..SBendtrans-85-26.5-177.3-61.7-174.4000114.2F250 H251 I262 F293 L294 V300F250-L298 HydrophobicContact CB-CD1 4.07Å; H251-L298 WeakPolarHBondContact ND1-CD2 3.47Å; I262-L298 HydrophobicContact CD1-CD1 3.6Å; F293-L298 HydrophobicContact CD1-CD1 4.3Å; F293-L298 HydrophobicContact CD2-CG 4.31Å; F293-L298 HydrophobicContact CE1-CD1 3.68Å; F293-L298 HydrophobicContact CE1-CG 4.23Å; F293-L298 HydrophobicContact CE2-CD1 4.17Å; F293-L298 HydrophobicContact CE2-CD2 3.91Å; F293-L298 HydrophobicContact CE2-CG 3.83Å; F293-L298 HydrophobicContact CZ-CD1 3.59Å; F293-L298 HydrophobicContact CZ-CD2 3.92Å; F293-L298 HydrophobicContact CZ-CG 3.78Å; F293-L298 WeakPolarHBondContact O-CG 3.32Å; F293-L298 PolarHBondContact O-N 3.36Å; L294-L298 HydrophobicContact CD2-CD1 4.26Å; L298-V300 VanDerWaalsContact C-N 3.28Å; L298-V300 HydrophobicContact CB-CG1 3.96Å; L298-V300 HydrophobicContact CB-CG2 4.16Å; L298-V300 PolarHBondContact O-N 3.47Å
299K94.3Very high94.1Very high162 Ų16253.7 Ų53.770%0.70427%0.274SS*.  trans55.638.6-179.3-56.2177.7-178.5177.50113.8L294 V295 D296L294-K299 PolarHBondContact O-N 3.44Å; L294-K299 VanDerWaalsContact O-N 3.11Å; V295-K299 VanDerWaalsContact O-CA 3.28Å; V295-K299 WeakPolarHBondContact O-CA 3.38Å; V295-K299 WeakPolarHBondContact O-CG 3.38Å; V295-K299 PolarHBondContact O-N 3.15Å; D296-K299 WeakPolarHBondContact O-CE 3.37Å
300V92.3Very high94.2Very high23 Ų2349.4 Ų49.414%0.13926%0.259CS..  trans-94.8-26.6-175.3-660000113.7P260 I262 L294 L298P260-V300 HydrophobicContact CG-CG1 3.99Å; I262-V300 HydrophobicContact CD1-CG2 4.34Å; L294-V300 HydrophobicContact CB-CG2 4.49Å; L294-V300 HydrophobicContact CD2-CG2 4.39Å; L294-V300 WeakPolarHBondContact O-CG2 3.46Å; L294-V300 PolarHBondContact O-N 3.42Å; L298-V300 VanDerWaalsContact C-N 3.28Å; L298-V300 HydrophobicContact CB-CG1 3.96Å; L298-V300 HydrophobicContact CB-CG2 4.16Å; L298-V300 PolarHBondContact O-N 3.47Å
301C91.1Very high94.2Very high23 Ų2349.6 Ų49.616%0.15526%0.259CS..SBendtrans-144.5168.9-179.159.50000112.1E305C301-E305 HydrophobicContact CB-CB 3.99Å
302T93Very high94.2Very high74 Ų7449.6 Ų49.645%0.45426%0.259SS..  trans-76.6163172.964.80000111.3T304 E305 A306T302-T304 VanDerWaalsContact C-N 3.31Å; T302-T304 PolarHBondContact O-N 2.91Å; T302-E305 WeakPolarHBondContact CB-OE2 3.49Å; T302-E305 PolarHBondContact N-OE2 2.88Å; T302-E305 PolarHBondContact O-N 3.49Å; T302-E305 WeakPolarHBondContact OG1-CB 3.32Å; T302-E305 VanDerWaalsContact OG1-CG 3.23Å; T302-E305 WeakPolarHBondContact OG1-CG 3.35Å; T302-E305 PolarHBondContact OG1-N 3.31Å; T302-E305 PolarHBondContact OG1-OE2 2.99Å; T302-A306 WeakPolarHBondContact O-CB 3.31Å; T302-A306 PolarHBondContact O-N 3.08Å
303R92.6Very high94.1Very high140 Ų14048.2 Ų48.253%0.52825%0.248SC..Hα-helixtrans-59.7-40.7179.6-162.4172.5-170.5132.91.5113.1V291 V295 A306 E307V291-R303 HydrophobicContact CG1-CG 3.72Å; V295-R303 HydrophobicContact CG2-CB 4.42Å; R303-A306 PolarHBondContact O-N 3.5Å; R303-E307 WeakPolarHBondContact O-CG 3.39Å; R303-E307 PolarHBondContact O-N 3.5Å; R303-E307 VanDerWaalsContact O-N 3.15Å
304T90.4Very high94Very high115 Ų11548.3 Ų48.371%0.70625%0.248SC*.Hα-helixtrans-66.4-39.7177.6-50.20000112.2T302T302-T304 VanDerWaalsContact C-N 3.31Å; T302-T304 PolarHBondContact O-N 2.91Å
305E90.3Very high93.9Very high100 Ų10048.3 Ų48.347%0.46725%0.248SC..Hα-helixtrans-67.7-41.9174.3-71163.3159.900111.5C301 T302 E307 G308 H309C301-E305 HydrophobicContact CB-CB 3.99Å; T302-E305 WeakPolarHBondContact CB-OE2 3.49Å; T302-E305 PolarHBondContact N-OE2 2.88Å; T302-E305 PolarHBondContact O-N 3.49Å; T302-E305 WeakPolarHBondContact OG1-CB 3.32Å; T302-E305 VanDerWaalsContact OG1-CG 3.23Å; T302-E305 WeakPolarHBondContact OG1-CG 3.35Å; T302-E305 PolarHBondContact OG1-N 3.31Å; T302-E305 PolarHBondContact OG1-OE2 2.99Å; E305-E307 VanDerWaalsContact C-N 3.32Å; E305-E307 PolarHBondContact O-N 3.48Å; E305-G308 WeakPolarHBondContact O-CA 3.44Å; E305-G308 PolarHBondContact O-N 3.01Å; E305-H309 PolarHBondContact O-CD2 3.42Å; E305-H309 PolarHBondContact O-N 2.92Å
306A93Very high93.6Very high0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-59.8-40-179.800000112.5V291 L294 V295 T302 R303 G308 H309 V310V291-A306 HydrophobicContact CB-CB 4.4Å; V291-A306 HydrophobicContact CG1-CB 4.05Å; V291-A306 HydrophobicContact CG2-CB 4.18Å; L294-A306 HydrophobicContact CB-CB 4.22Å; L294-A306 HydrophobicContact CD1-CB 4.24Å; V295-A306 HydrophobicContact CG2-CB 3.56Å; T302-A306 WeakPolarHBondContact O-CB 3.31Å; T302-A306 PolarHBondContact O-N 3.08Å; R303-A306 PolarHBondContact O-N 3.5Å; A306-G308 VanDerWaalsContact C-N 3.25Å; A306-G308 PolarHBondContact O-N 3.49Å; A306-H309 PolarHBondContact O-N 2.85Å; A306-V310 WeakPolarHBondContact O-CG2 3.29Å
307E92.3Very high93.3Very high102 Ų10248.6 Ų48.648%0.47724%0.24SC..Hα-helixtrans-60.4-35.6175.1-74.1169.6-170.800112.1V291 R303 E305 H309V291-E307 HydrophobicContact CG2-CG 3.92Å; R303-E307 WeakPolarHBondContact O-CG 3.39Å; R303-E307 PolarHBondContact O-N 3.5Å; R303-E307 VanDerWaalsContact O-N 3.15Å; E305-E307 VanDerWaalsContact C-N 3.32Å; E305-E307 PolarHBondContact O-N 3.48Å; E307-H309 VanDerWaalsContact C-N 3.26Å; E307-H309 PolarHBondContact O-N 3.41Å
308G92.8Very high93.1Very high32 Ų3245 Ų4533%0.3322%0.223SC..THydrogen-bonded Turntrans-77.3-3.8174.400000115E305 A306 F311E305-G308 WeakPolarHBondContact O-CA 3.44Å; E305-G308 PolarHBondContact O-N 3.01Å; A306-G308 VanDerWaalsContact C-N 3.25Å; A306-G308 PolarHBondContact O-N 3.49Å; G308-F311 WeakPolarHBondContact O-CE2 3.32Å; G308-F311 WeakPolarHBondContact O-CZ 3.5Å
309H95.2Very high92.8Very high17 Ų1744.5 Ų44.58%0.07922%0.221CC..THydrogen-bonded Turntrans-108-1.4-177.8-75.7-154.8000113.2I262 F263 I264 L294 E305 A306 E307I262-H309 PolarHBondContact O-ND1 3.32Å; F263-H309 WeakPolarHBondContact CA-O 3.33Å; F263-H309 HydrophobicContact CD1-CB 4.09Å; F263-H309 HydrophobicContact CE1-CB 4.3Å; F263-H309 AromaticContact CE1-CD2 3.78Å; F263-H309 AromaticContact CE1-CG 3.9Å; F263-H309 AromaticContact CZ-NE2 3.92Å; I264-H309 PolarHBondContact N-O 2.96Å; L294-H309 HydrophobicContact CD1-CB 4.21Å; E305-H309 PolarHBondContact O-CD2 3.42Å; E305-H309 PolarHBondContact O-N 2.92Å; A306-H309 PolarHBondContact O-N 2.85Å; E307-H309 VanDerWaalsContact C-N 3.26Å; E307-H309 PolarHBondContact O-N 3.41Å
310V96.5Very high92.4Very high7 Ų737.4 Ų37.44%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-113.2122.7-178.1-177.90000109.9I264 N266 L287 C290 L294 A306 F312I264-V310 HydrophobicContact CB-CG2 4.36Å; I264-V310 WeakPolarHBondContact O-CA 3.15Å; N266-V310 WeakPolarHBondContact ND2-CG1 3.43Å; L287-V310 HydrophobicContact CD1-CB 3.81Å; L287-V310 HydrophobicContact CD1-CG1 3.91Å; L287-V310 HydrophobicContact CD1-CG2 4.38Å; C290-V310 HydrophobicContact CB-CB 4.32Å; C290-V310 HydrophobicContact CB-CG1 3.74Å; C290-V310 HydrophobicContact CB-CG2 3.52Å; L294-V310 HydrophobicContact CD1-CG2 4.34Å; A306-V310 WeakPolarHBondContact O-CG2 3.29Å; V310-F312 HydrophobicContact CG1-CE2 4.17Å
311F97.1Very high92Very high4 Ų439.2 Ų39.22%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-128.1146.5-174.5-62-87.9000112.2F263 I264 N266 G308 V313 E362 F366 V369F263-F311 HydrophobicContact CD1-CD2 4.42Å; F263-F311 AromaticContact CD1-CE2 3.77Å; F263-F311 HydrophobicContact CD1-CE2 3.77Å; F263-F311 HydrophobicContact CE1-CE2 4.04Å; I264-F311 PolarHBondContact O-N 2.97Å; N266-F311 WeakPolarHBondContact CB-O 3.46Å; N266-F311 PolarHBondContact N-O 3.05Å; G308-F311 WeakPolarHBondContact O-CE2 3.32Å; G308-F311 WeakPolarHBondContact O-CZ 3.5Å; F311-V313 HydrophobicContact CB-CG1 4.11Å; F311-E362 HydrophobicContact CB-CG 4.39Å; F311-E362 HydrophobicContact CD1-CG 4.28Å; F311-F366 HydrophobicContact CB-CB 4.27Å; F311-F366 HydrophobicContact CD1-CB 3.65Å; F311-F366 HydrophobicContact CD2-CB 3.98Å; F311-F366 AromaticContact CD2-CD2 3.87Å; F311-F366 HydrophobicContact CD2-CD2 3.87Å; F311-F366 HydrophobicContact CD2-CG 4.35Å; F311-F366 VanDerWaalsContact CE1-CA 3.45Å; F311-F366 HydrophobicContact CE1-CB 3.91Å; F311-F366 HydrophobicContact CE2-CB 4.22Å; F311-F366 HydrophobicContact CE2-CD2 4.02Å; F311-F366 HydrophobicContact CG-CB 3.68Å; F311-F366 HydrophobicContact CG-CD2 4.39Å; F311-F366 HydrophobicContact CG-CG 4.43Å; F311-F366 HydrophobicContact CZ-CB 4.19Å; F311-V369 HydrophobicContact CZ-CB 4.11Å; F311-V369 HydrophobicContact CZ-CG1 4.43Å; F311-V369 HydrophobicContact CZ-CG2 4.27Å
312F95.4Very high91.6Very high4 Ų439.5 Ų39.52%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-114.7101.5179-68.5-95.9000111.2N266 W269 R283 H286 L287 V310 E362N266-F312 HydrophobicContact CB-CD1 3.7Å; N266-F312 HydrophobicContact CB-CE1 3.91Å; N266-F312 HydrophobicContact CB-CG 4.27Å; W269-F312 HydrophobicContact CB-CB 4.42Å; W269-F312 HydrophobicContact CD2-CB 4.13Å; W269-F312 AromaticContact CD2-CD1 3.77Å; W269-F312 HydrophobicContact CD2-CD1 3.77Å; W269-F312 HydrophobicContact CD2-CG 4.4Å; W269-F312 AromaticContact CE2-CD1 3.93Å; W269-F312 AromaticContact CE3-CD1 3.78Å; W269-F312 HydrophobicContact CE3-CD1 3.78Å; W269-F312 HydrophobicContact CE3-CE1 4.43Å; W269-F312 HydrophobicContact CG-CB 3.91Å; W269-F312 HydrophobicContact CG-CD1 4.39Å; W269-F312 HydrophobicContact CH2-CD1 4.04Å; W269-F312 HydrophobicContact CH2-CE1 4.16Å; W269-F312 HydrophobicContact CZ2-CD1 4.09Å; W269-F312 AromaticContact CZ3-CD1 3.89Å; W269-F312 HydrophobicContact CZ3-CD1 3.89Å; W269-F312 HydrophobicContact CZ3-CE1 4.11Å; R283-F312 HydrophobicContact CG-CD1 4.17Å; R283-F312 HydrophobicContact CG-CD2 3.94Å; R283-F312 HydrophobicContact CG-CE1 3.98Å; R283-F312 HydrophobicContact CG-CE2 3.75Å; R283-F312 HydrophobicContact CG-CG 4.14Å; R283-F312 HydrophobicContact CG-CZ 3.77Å; R283-F312 VanDerWaalsContact O-CZ 3.3Å; R283-F312 WeakPolarHBondContact O-CZ 3.41Å; H286-F312 HydrophobicContact CB-CE1 3.61Å; H286-F312 HydrophobicContact CB-CZ 3.65Å; L287-F312 HydrophobicContact CB-CE2 4.26Å; L287-F312 HydrophobicContact CB-CZ 4.29Å; V310-F312 HydrophobicContact CG1-CE2 4.17Å; F312-E362 PolarHBondContact N-OE1 3.02Å; F312-E362 WeakPolarHBondContact O-CG 3.5Å
313V95.3Very high91Very high0 Ų037 Ų370%018%0.182CC..  trans-129.6162.6-166-51.20000113.7I265 N266 N267 R268 W269 F311 E362 F363I265-V313 HydrophobicContact CG2-CB 4.49Å; I265-V313 HydrophobicContact CG2-CG2 3.25Å; N266-V313 PolarHBondContact O-N 3.38Å; N267-V313 CarbonylContact C-O 3.58Å; N267-V313 WeakPolarHBondContact CA-O 3.48Å; R268-V313 PolarHBondContact N-O 3.38Å; R268-V313 VanDerWaalsContact N-O 3.12Å; W269-V313 WeakPolarHBondContact CB-O 3.45Å; W269-V313 PolarHBondContact N-O 3.3Å; F311-V313 HydrophobicContact CB-CG1 4.11Å; V313-E362 HydrophobicContact CG1-CB 4.49Å; V313-E362 HydrophobicContact CG1-CG 4.11Å; V313-F363 HydrophobicContact CB-CB 4.47Å; V313-F363 HydrophobicContact CB-CD2 3.88Å; V313-F363 HydrophobicContact CG1-CB 4.17Å; V313-F363 HydrophobicContact CG1-CD2 4.03Å; V313-F363 HydrophobicContact CG2-CD2 3.98Å; V313-F363 HydrophobicContact CG2-CE2 4.41Å
314S94.1Very high90.1Very high1 Ų137.1 Ų37.11%0.00719%0.187CC..  trans-117.295.4161.3-174.10000110.5D270 R316 E317 V318D270-S314 VanDerWaalsContact OD1-CB 3.23Å; D270-S314 WeakPolarHBondContact OD1-CB 3.46Å; D270-S314 PolarHBondContact OD1-OG 3.2Å; S314-R316 PolarHBondContact O-N 3.3Å; S314-R316 VanDerWaalsContact O-N 3.17Å; S314-E317 WeakPolarHBondContact CB-OE2 3.49Å; S314-E317 PolarHBondContact O-N 2.96Å; S314-V318 WeakPolarHBondContact O-CG2 3.49Å; S314-V318 PolarHBondContact O-N 2.81Å
315A93.7Very high89.3Confident0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-59.8-28.4177.900000112.8T110 V111 A114 N267 L319 F363T110-A315 HydrophobicContact CG2-CB 3.97Å; V111-A315 HydrophobicContact CB-CB 4.31Å; V111-A315 HydrophobicContact CG2-CB 3.66Å; A114-A315 HydrophobicContact CB-CB 4.44Å; N267-A315 WeakPolarHBondContact OD1-CB 3.34Å; N267-A315 PolarHBondContact OD1-N 3.21Å; A315-L319 VanDerWaalsContact O-CB 3.26Å; A315-L319 WeakPolarHBondContact O-CB 3.33Å; A315-L319 PolarHBondContact O-N 3.31Å; A315-F363 HydrophobicContact CB-CE2 4.35Å
316R89.9Confident88.2Confident120 Ų12033 Ų3345%0.45317%0.174SC..Hα-helixtrans-68.4-44.1179.3-176.3169.756.41635.7112T110 D270 S314 A320 M352T110-R316 HydrophobicContact CG2-CB 4.43Å; D270-R316 IonicContact OD2-CZ 3.08Å; D270-R316 IonicContact OD2-NE 3.25Å; D270-R316 IonicContact OD2-NH2 2.78Å; D270-R316 PolarHBondContact OD2-NH2 3.34Å; S314-R316 PolarHBondContact O-N 3.3Å; S314-R316 VanDerWaalsContact O-N 3.17Å; R316-A320 WeakPolarHBondContact O-CB 3.44Å; R316-A320 PolarHBondContact O-N 3.22Å; R316-M352 HydrophobicContact CG-SD 3.8Å; R316-M352 PolarHBondContact NE-SD 3.5Å; R316-M352 PolarHBondContact NH2-SD 3.15Å; R316-M352 VanDerWaalsContact NH2-SD 3.38Å
317E90.3Very high86.9Confident6 Ų635 Ų353%0.02819%0.185CC..Hα-helixtrans-63.4-45.2175-70.3-179.1145.500111.1S314 L319 A320 M321 M352 A353 R359S314-E317 WeakPolarHBondContact CB-OE2 3.49Å; S314-E317 PolarHBondContact O-N 2.96Å; E317-L319 PolarHBondContact O-N 3.06Å; E317-A320 PolarHBondContact O-N 3.18Å; E317-M321 WeakPolarHBondContact O-CB 3.36Å; E317-M321 WeakPolarHBondContact O-CG 3.48Å; E317-M321 PolarHBondContact O-N 2.89Å; E317-M352 HydrophobicContact CG-CB 4.17Å; E317-M352 HydrophobicContact CG-CG 3.94Å; E317-M352 PolarHBondContact OE1-N 3.22Å; E317-A353 PolarHBondContact OE1-N 2.98Å; E317-R359 VanDerWaalsContact CD-NH2 3.31Å; E317-R359 IonicContact OE1-CZ 3.36Å; E317-R359 IonicContact OE1-NE 2.7Å; E317-R359 IonicContact OE1-NH2 3.3Å; E317-R359 PolarHBondContact OE1-NH2 3.4Å; E317-R359 IonicContact OE2-CZ 3.68Å; E317-R359 IonicContact OE2-NE 3Å; E317-R359 PolarHBondContact OE2-NE 3.42Å; E317-R359 IonicContact OE2-NH2 2.64Å; E317-R359 PolarHBondContact OE2-NH2 3.13Å; E317-R359 VanDerWaalsContact OE2-NH2 3.08Å
318V90.8Very high85.1Confident2 Ų233.5 Ų33.51%0.01220%0.197CC..Hα-helixtrans-61.7-46.3178.7179.40000111.3A114 S314 M321 R322 L360 F363A114-V318 HydrophobicContact CB-CB 4.16Å; A114-V318 HydrophobicContact CB-CG1 3.98Å; S314-V318 WeakPolarHBondContact O-CG2 3.49Å; S314-V318 PolarHBondContact O-N 2.81Å; V318-M321 PolarHBondContact O-N 2.82Å; V318-R322 HydrophobicContact CG1-CG 4.4Å; V318-R322 WeakPolarHBondContact O-CB 3.47Å; V318-R322 WeakPolarHBondContact O-CG 3.35Å; V318-R322 PolarHBondContact O-N 3.33Å; V318-L360 HydrophobicContact CB-CD1 4.4Å; V318-L360 HydrophobicContact CG1-CD1 4.21Å; V318-L360 HydrophobicContact CG2-CD1 3.86Å; V318-F363 HydrophobicContact CB-CD2 4.41Å; V318-F363 HydrophobicContact CB-CG 4.33Å; V318-F363 HydrophobicContact CG1-CD1 3.79Å; V318-F363 HydrophobicContact CG1-CD2 4.5Å; V318-F363 HydrophobicContact CG1-CE1 3.95Å; V318-F363 HydrophobicContact CG1-CG 4.09Å; V318-F363 HydrophobicContact CG1-CZ 4.38Å; V318-F363 HydrophobicContact CG2-CB 3.68Å; V318-F363 HydrophobicContact CG2-CD1 4.22Å; V318-F363 HydrophobicContact CG2-CD2 3.85Å; V318-F363 HydrophobicContact CG2-CG 3.65Å
319L89Confident83.2Confident3 Ų335.7 Ų35.72%0.01622%0.219CC..Hα-helixtrans-61-45.6177.2176.758.8000111.7T110 N113 A114 A315 E317 M321 R322 T323 L346T110-L319 HydrophobicContact CG2-CD2 4.21Å; N113-L319 HydrophobicContact CB-CD1 3.87Å; N113-L319 HydrophobicContact CB-CD2 3.87Å; N113-L319 HydrophobicContact CB-CG 4.5Å; A114-L319 HydrophobicContact CB-CB 4.11Å; A315-L319 VanDerWaalsContact O-CB 3.26Å; A315-L319 WeakPolarHBondContact O-CB 3.33Å; A315-L319 PolarHBondContact O-N 3.31Å; E317-L319 PolarHBondContact O-N 3.06Å; L319-M321 VanDerWaalsContact C-N 3.34Å; L319-M321 PolarHBondContact O-N 3.34Å; L319-R322 PolarHBondContact O-N 2.98Å; L319-T323 WeakPolarHBondContact CD1-OG1 3.19Å; L319-T323 WeakPolarHBondContact O-CB 3.5Å; L319-T323 PolarHBondContact O-N 3.02Å; L319-T323 PolarHBondContact O-OG1 3.2Å; L319-L346 HydrophobicContact CD2-CD2 4.41Å; L319-L346 HydrophobicContact CG-CD2 4.35Å
320A84.8Confident81.2Confident13 Ų1338.8 Ų38.811%0.10724%0.236CC..Hα-helixtrans-59.7-45.7178.500000111.4R316 E317 K324 L346 A350R316-A320 WeakPolarHBondContact O-CB 3.44Å; R316-A320 PolarHBondContact O-N 3.22Å; E317-A320 PolarHBondContact O-N 3.18Å; A320-K324 WeakPolarHBondContact O-CB 3.49Å; A320-K324 PolarHBondContact O-N 3.41Å; A320-K324 VanDerWaalsContact O-N 3.11Å; A320-L346 HydrophobicContact CB-CD2 4.08Å; A320-A350 HydrophobicContact CB-CB 4.35Å
321M83.6Confident79Confident61 Ų6142.4 Ų42.430%0.326%0.26SS..Hα-helixtrans-63.3-49.2178.5-77.1-64-67.100112.6E317 V318 L319 K324 A325 A350 W356E317-M321 WeakPolarHBondContact O-CB 3.36Å; E317-M321 WeakPolarHBondContact O-CG 3.48Å; E317-M321 PolarHBondContact O-N 2.89Å; V318-M321 PolarHBondContact O-N 2.82Å; L319-M321 VanDerWaalsContact C-N 3.34Å; L319-M321 PolarHBondContact O-N 3.34Å; M321-K324 PolarHBondContact O-N 2.88Å; M321-A325 WeakPolarHBondContact O-CB 3.38Å; M321-A325 PolarHBondContact O-N 3.08Å; M321-A350 HydrophobicContact CG-CB 3.99Å; M321-A350 HydrophobicContact SD-CB 3.39Å; M321-A350 WeakPolarHBondContact SD-CB 3.45Å; M321-W356 HydrophobicContact CE-CH2 4.16Å; M321-W356 HydrophobicContact CE-CZ3 4.02Å; M321-W356 HydrophobicContact CG-CZ3 4.46Å; M321-W356 HydrophobicContact SD-CZ3 4.34Å
322R84.6Confident76.9Confident29 Ų2950.1 Ų50.111%0.10930%0.296CS..Hα-helixtrans-68.1-40.5-178.5-70.8177.7178.9-169.6-4.1112.4A114 V318 L319 K324 A325 N326 E367A114-R322 WeakPolarHBondContact O-CD 3.4Å; A114-R322 PolarHBondContact O-NH1 2.98Å; V318-R322 HydrophobicContact CG1-CG 4.4Å; V318-R322 WeakPolarHBondContact O-CB 3.47Å; V318-R322 WeakPolarHBondContact O-CG 3.35Å; V318-R322 PolarHBondContact O-N 3.33Å; L319-R322 PolarHBondContact O-N 2.98Å; R322-K324 VanDerWaalsContact C-N 3.32Å; R322-K324 PolarHBondContact O-N 3.17Å; R322-A325 PolarHBondContact O-N 3.28Å; R322-N326 WeakPolarHBondContact O-CB 3.48Å; R322-N326 PolarHBondContact O-N 3.01Å; R322-E367 IonicContact CZ-OE1 2.79Å; R322-E367 IonicContact CZ-OE2 3.87Å; R322-E367 IonicContact NH1-OE1 3.97Å; R322-E367 PolarHBondContact NH1-OE1 2.94Å; R322-E367 IonicContact NH1-OE2 3.4Å; R322-E367 VanDerWaalsContact NH2-CD 3.28Å; R322-E367 IonicContact NH2-OE1 3.03Å; R322-E367 PolarHBondContact NH2-OE1 3.34Å; R322-E367 IonicContact NH2-OE2 2.73Å; R322-E367 PolarHBondContact NH2-OE2 2.9Å
323T78.4Confident75Confident22 Ų2252.2 Ų52.214%0.13531%0.31CS..Hα-helixtrans-61.2-43.6176.6-56.30000110.7L319 N326 L327 L346L319-T323 WeakPolarHBondContact CD1-OG1 3.19Å; L319-T323 WeakPolarHBondContact O-CB 3.5Å; L319-T323 PolarHBondContact O-N 3.02Å; L319-T323 PolarHBondContact O-OG1 3.2Å; T323-N326 PolarHBondContact O-N 3.47Å; T323-L327 HydrophobicContact CG2-CD1 3.68Å; T323-L327 HydrophobicContact CG2-CG 4.48Å; T323-L327 WeakPolarHBondContact O-CB 3.47Å; T323-L327 WeakPolarHBondContact O-CG 3.45Å; T323-L327 PolarHBondContact O-N 2.92Å; T323-L346 HydrophobicContact CG2-CD1 4.08Å
324K75.8Confident73.1Confident141 Ų14153.2 Ų53.261%0.61332%0.321SS*.Hα-helixtrans-64.6-40.8176.4-173.1176.1-179.4176.20112.4A320 M321 R322 G328A320-K324 WeakPolarHBondContact O-CB 3.49Å; A320-K324 PolarHBondContact O-N 3.41Å; A320-K324 VanDerWaalsContact O-N 3.11Å; M321-K324 PolarHBondContact O-N 2.88Å; R322-K324 VanDerWaalsContact C-N 3.32Å; R322-K324 PolarHBondContact O-N 3.17Å; K324-G328 PolarHBondContact O-N 3.44Å
325A72.5Confident71.3Confident76 Ų7653.9 Ų53.963%0.62833%0.325SS*.Hα-helixtrans-65.3-40.8177.200000112.2M321 R322M321-A325 WeakPolarHBondContact O-CB 3.38Å; M321-A325 PolarHBondContact O-N 3.08Å; R322-A325 PolarHBondContact O-N 3.28Å
326N68.1Low69.4Low52 Ų5257.2 Ų57.228%0.27835%0.347SS..Hα-helixtrans-74.1-32-178.4-73.9-16.2000113.2G117 R322 T323 G328G117-N326 PolarHBondContact O-ND2 2.76Å; R322-N326 WeakPolarHBondContact O-CB 3.48Å; R322-N326 PolarHBondContact O-N 3.01Å; T323-N326 PolarHBondContact O-N 3.47Å; N326-G328 VanDerWaalsContact C-N 3.31Å
327L65.1Low67.6Low43 Ų4352.5 Ų52.523%0.22534%0.336CS..THydrogen-bonded Turntrans-79.3-7.7177.5-73165.9000113.7T323 G329 D330 S333T323-L327 HydrophobicContact CG2-CD1 3.68Å; T323-L327 HydrophobicContact CG2-CG 4.48Å; T323-L327 WeakPolarHBondContact O-CB 3.47Å; T323-L327 WeakPolarHBondContact O-CG 3.45Å; T323-L327 PolarHBondContact O-N 2.92Å; L327-G329 CarbonylContact O-C 3.52Å; L327-G329 PolarHBondContact O-N 2.89Å; L327-D330 CarbonylContact O-C 3.51Å; L327-D330 PolarHBondContact O-N 2.92Å; L327-S333 WeakPolarHBondContact CA-OG 3.36Å; L327-S333 PolarHBondContact O-OG 3.06Å
328G54.6Low65.8Low71 Ų7153.5 Ų53.573%0.73235%0.345SS*.THydrogen-bonded Turntrans53.812.4171.600000117.2K324 N326K324-G328 PolarHBondContact O-N 3.44Å; N326-G328 VanDerWaalsContact C-N 3.31Å
329G52.1Low63.9Low77 Ų7753.9 Ų53.979%0.79435%0.348SS*.THydrogen-bonded Turntrans90.2-11.4-169.700000116L327L327-G329 CarbonylContact O-C 3.52Å; L327-G329 PolarHBondContact O-N 2.89Å
330D53.8Low62Low82 Ų8259.2 Ų59.244%0.43938%0.381SS..  trans-104.1112.4173.9-176.7-6.9000110.4L327 H332 S333L327-D330 CarbonylContact O-C 3.51Å; L327-D330 PolarHBondContact O-N 2.92Å; D330-H332 PolarHBondContact O-N 3.01Å; D330-H332 IonicContact OD1-CD2 3.99Å; D330-H332 PolarHBondContact OD1-N 3.29Å; D330-S333 PolarHBondContact O-N 2.92Å; D330-S333 PolarHBondContact O-OG 3.44Å
331P51.2Low60.2Low83 Ų8363.6 Ų63.654%0.53941%0.411SS..THydrogen-bonded Turntrans-55.7-19.8178.4-21.931.7000114.7
332H52.1Low58.7Low167 Ų16761.5 Ų61.577%0.77340%0.401SS*.THydrogen-bonded Turntrans-99.3-1.2-179-62.5-60.1000114.1D330 G334D330-H332 PolarHBondContact O-N 3.01Å; D330-H332 IonicContact OD1-CD2 3.99Å; D330-H332 PolarHBondContact OD1-N 3.29Å; H332-G334 VanDerWaalsContact C-N 3.26Å; H332-G334 PolarHBondContact O-N 3.35Å
333S55.1Low57Low47 Ų4761 Ų6133%0.32940%0.404SS..SBendtrans-82.2-1.5179.168.10000114.3L327 D330L327-S333 WeakPolarHBondContact CA-OG 3.36Å; L327-S333 PolarHBondContact O-OG 3.06Å; D330-S333 PolarHBondContact O-N 2.92Å; D330-S333 PolarHBondContact O-OG 3.44Å
334G55.3Low55.7Low21 Ų2162.4 Ų62.422%0.21642%0.415CS..SBendtrans-76.9165.6173.300000113.3H332H332-G334 VanDerWaalsContact C-N 3.26Å; H332-G334 PolarHBondContact O-N 3.35Å
335P56.2Low54.7Low15 Ų1561.6 Ų61.610%0.09742%0.424CS..PPolyproline II helixtrans-55.4142.3175.213.1-22.3000112.4W192 Y196 G337 A338W192-P335 HydrophobicContact CH2-CB 3.76Å; W192-P335 HydrophobicContact CH2-CG 3.89Å; W192-P335 HydrophobicContact CZ2-CB 3.54Å; W192-P335 HydrophobicContact CZ2-CG 3.33Å; Y196-P335 HydrophobicContact CD1-CB 3.61Å; Y196-P335 VanDerWaalsContact CD1-CD 3.49Å; Y196-P335 HydrophobicContact CD1-CG 3.53Å; Y196-P335 HydrophobicContact CD2-CB 3.8Å; Y196-P335 HydrophobicContact CD2-CG 4.43Å; Y196-P335 HydrophobicContact CE1-CB 3.57Å; Y196-P335 HydrophobicContact CE1-CG 3.86Å; Y196-P335 HydrophobicContact CE2-CB 3.76Å; Y196-P335 HydrophobicContact CG-CB 3.69Å; Y196-P335 HydrophobicContact CG-CG 3.82Å; P335-G337 PolarHBondContact O-N 3.41Å; P335-G337 VanDerWaalsContact O-N 3.15Å; P335-A338 HydrophobicContact CG-CB 3.91Å; P335-A338 WeakPolarHBondContact O-CB 3.37Å; P335-A338 PolarHBondContact O-N 2.84Å
336P53.8Low53.9Low71 Ų7161 Ų6146%0.46141%0.41SS..THydrogen-bonded Turntrans-56120176.8-19.529.7000110.6
337G52.1Low53.3Low21 Ų2161.8 Ų61.822%0.21642%0.42CS..THydrogen-bonded Turntrans868.5-179.100000116D168 P335 A339D168-G337 VanDerWaalsContact OD1-CA 3.26Å; D168-G337 WeakPolarHBondContact OD1-CA 3.42Å; P335-G337 PolarHBondContact O-N 3.41Å; P335-G337 VanDerWaalsContact O-N 3.15Å; G337-A339 PolarHBondContact O-N 3.07Å
338A52.9Low52.7Low26 Ų2664.5 Ų64.522%0.21545%0.448CS..  trans-69.587.6157.200000107.6W192 P335 T340W192-A338 HydrophobicContact CH2-CB 4.02Å; W192-A338 HydrophobicContact CZ2-CB 4.3Å; P335-A338 HydrophobicContact CG-CB 3.91Å; P335-A338 WeakPolarHBondContact O-CB 3.37Å; P335-A338 PolarHBondContact O-N 2.84Å; A338-T340 PolarHBondContact O-N 2.97Å
339A51.1Low52.8Low10 Ų1064.3 Ų64.38%0.08343%0.433CS..  trans-64.6107.9-17200000110.3G337 S341 I342G337-A339 PolarHBondContact O-N 3.07Å; A339-S341 PolarHBondContact O-N 3.38Å; A339-I342 HydrophobicContact CB-CB 3.75Å; A339-I342 HydrophobicContact CB-CD1 3.39Å; A339-I342 HydrophobicContact CB-CG1 3.31Å; A339-I342 PolarHBondContact O-N 3.46Å
340T48.9Very low53.2Low116 Ų11661 Ų6171%0.71240%0.398SS*.THydrogen-bonded Turntrans-56.1-11.4158.949.40000111.9A338A338-T340 PolarHBondContact O-N 2.97Å
341S46.5Very low53.9Low104 Ų10463.6 Ų63.673%0.72740%0.402SS*.THydrogen-bonded Turntrans-102.3-7.4178.657.40000116.4A339 G343A339-S341 PolarHBondContact O-N 3.38Å; S341-G343 PolarHBondContact O-N 2.87Å
342I52.2Low54.6Low18 Ų1863.4 Ų63.49%0.09240%0.395CS..SBendtrans-88.5111.9179.3-71.8171.2000109.4K119 P122 A339K119-I342 WeakPolarHBondContact CD-O 3.43Å; K119-I342 WeakPolarHBondContact CE-O 3.44Å; K119-I342 PolarHBondContact NZ-O 3.33Å; P122-I342 HydrophobicContact CB-CG2 4.18Å; P122-I342 HydrophobicContact CG-CG2 4.2Å; A339-I342 HydrophobicContact CB-CB 3.75Å; A339-I342 HydrophobicContact CB-CD1 3.39Å; A339-I342 HydrophobicContact CB-CG1 3.31Å; A339-I342 PolarHBondContact O-N 3.46Å
343G50.1Low55.8Low17 Ų1756.4 Ų56.418%0.17537%0.367CS..SBendtrans88.4173177.200000115.2K119 S123 H127 S341K119-G343 PolarHBondContact NZ-O 3.25Å; S123-G343 WeakPolarHBondContact O-CA 3.43Å; H127-G343 WeakPolarHBondContact NE2-CA 3.34Å; S341-G343 PolarHBondContact O-N 2.87Å
344S51.1Low56.9Low52 Ų5262.1 Ų62.136%0.36439%0.388SS..SBendtrans-59140.8179.2-45.90000112.2K119 L346K119-S344 PolarHBondContact NZ-O 3Å; S344-L346 PolarHBondContact O-N 2.92Å
345P53Low58.3Low124 Ų12462.1 Ų62.181%0.80539%0.388SS*.PPolyproline II helixtrans-58.9137.2179.621.5-30.6000111
346L56.4Low59.7Low63 Ų6364 Ų6433%0.3339%0.393SS..PPolyproline II helixtrans-66.5139.6175.4-74.7156.1000109L319 A320 T323 S344L319-L346 HydrophobicContact CD2-CD2 4.41Å; L319-L346 HydrophobicContact CG-CD2 4.35Å; A320-L346 HydrophobicContact CB-CD2 4.08Å; T323-L346 HydrophobicContact CG2-CD1 4.08Å; S344-L346 PolarHBondContact O-N 2.92Å
347S55.3Low61.3Low70 Ų7065.1 Ų65.149%0.4939%0.392SS..PPolyproline II helixtrans-56.3139178.5-179.70000110.9V349S347-V349 WeakPolarHBondContact CB-O 3.4Å; S347-V349 PolarHBondContact O-N 3.11Å; S347-V349 PolarHBondContact OG-N 3.4Å; S347-V349 PolarHBondContact OG-O 3.47Å
348A52.5Low63.1Low100 Ų10069.8 Ų69.883%0.82641%0.412SS*.SBendtrans-60.3-24.9175.100000112.3
349V57.5Low65Low66 Ų6669.3 Ų69.340%0.441%0.405SS..SBendtrans-98.5115.6173.5-170.40000108.1S347 Y351S347-V349 WeakPolarHBondContact CB-O 3.4Å; S347-V349 PolarHBondContact O-N 3.11Å; S347-V349 PolarHBondContact OG-N 3.4Å; S347-V349 PolarHBondContact OG-O 3.47Å; V349-Y351 VanDerWaalsContact C-N 3.25Å; V349-Y351 HydrophobicContact CG1-CD1 4.13Å; V349-Y351 HydrophobicContact CG1-CD2 3.46Å; V349-Y351 VanDerWaalsContact CG1-CD2 3.46Å; V349-Y351 HydrophobicContact CG1-CE1 3.96Å; V349-Y351 HydrophobicContact CG1-CE2 3.26Å; V349-Y351 HydrophobicContact CG1-CG 3.9Å; V349-Y351 WeakPolarHBondContact CG1-O 3.33Å; V349-Y351 PolarHBondContact O-N 2.62Å
350A60.1Low66.9Low8 Ų871 Ų717%0.06641%0.412CS..SBendtrans-74.2-16.2-174.400000113.8A320 M321A320-A350 HydrophobicContact CB-CB 4.35Å; M321-A350 HydrophobicContact CG-CB 3.99Å; M321-A350 HydrophobicContact SD-CB 3.39Å; M321-A350 WeakPolarHBondContact SD-CB 3.45Å
351Y67.6Low69Low136 Ų13670 Ų7053%0.53341%0.406SS..  trans-107.5123178.541.5-90.7000109.2V349V349-Y351 VanDerWaalsContact C-N 3.25Å; V349-Y351 HydrophobicContact CG1-CD1 4.13Å; V349-Y351 HydrophobicContact CG1-CD2 3.46Å; V349-Y351 VanDerWaalsContact CG1-CD2 3.46Å; V349-Y351 HydrophobicContact CG1-CE1 3.96Å; V349-Y351 HydrophobicContact CG1-CE2 3.26Å; V349-Y351 HydrophobicContact CG1-CG 3.9Å; V349-Y351 WeakPolarHBondContact CG1-O 3.33Å; V349-Y351 PolarHBondContact O-N 2.62Å
352M67.6Low71.3Confident79 Ų7966.9 Ų66.939%0.38938%0.38SS..  trans-97.1-27.8-171.4-60.4-162.666.600112.3R316 E317R316-M352 HydrophobicContact CG-SD 3.8Å; R316-M352 PolarHBondContact NE-SD 3.5Å; R316-M352 PolarHBondContact NH2-SD 3.15Å; R316-M352 VanDerWaalsContact NH2-SD 3.38Å; E317-M352 HydrophobicContact CG-CB 4.17Å; E317-M352 HydrophobicContact CG-CG 3.94Å; E317-M352 PolarHBondContact OE1-N 3.22Å
353A75.8Confident73.4Confident21 Ų2166 Ų6617%0.17438%0.375CS..SBendtrans-150.3169.6175.500000112.2A273 E317 R359A273-A353 HydrophobicContact CB-CB 3.38Å; E317-A353 PolarHBondContact OE1-N 2.98Å; A353-R359 PolarHBondContact O-NH2 3.11Å; A353-R359 VanDerWaalsContact O-NH2 3.14Å
354E79.4Confident75.4Confident167 Ų16768.2 Ų68.278%0.7839%0.386SS*.THydrogen-bonded Turntrans-57.2150.4172-164.8172.1178.600111.2W356 R359E354-W356 PolarHBondContact O-N 3.35Å; E354-R359 PolarHBondContact O-NH1 3.01Å; E354-R359 PolarHBondContact O-NH2 3.3Å
355G84.1Confident77.5Confident20 Ų2069.5 Ų69.521%0.20639%0.388CS..THydrogen-bonded Turntrans75.316.3-176.500000115.4Q357 D358 R359G355-Q357 PolarHBondContact O-N 3.38Å; G355-D358 PolarHBondContact O-N 2.97Å; G355-R359 PolarHBondContact O-N 3.21Å; G355-R359 PolarHBondContact O-NH1 3.3Å
356W84.8Confident79.5Confident54 Ų5463.6 Ų63.621%0.20535%0.35CS..Hα-helixtrans-62.8-29.8179.571.9-90.9000113.1M321 E354 R359 L360M321-W356 HydrophobicContact CE-CH2 4.16Å; M321-W356 HydrophobicContact CE-CZ3 4.02Å; M321-W356 HydrophobicContact CG-CZ3 4.46Å; M321-W356 HydrophobicContact SD-CZ3 4.34Å; E354-W356 PolarHBondContact O-N 3.35Å; W356-R359 VanDerWaalsContact CA-NH2 3.33Å; W356-R359 PolarHBondContact O-N 3.16Å; W356-L360 HydrophobicContact CE3-CD2 4.42Å; W356-L360 HydrophobicContact CZ3-CD2 3.85Å; W356-L360 WeakPolarHBondContact O-CB 3.5Å; W356-L360 PolarHBondContact O-N 2.85Å
357Q88.6Confident81.3Confident96 Ų9660.8 Ų60.845%0.44934%0.335SS..Hα-helixtrans-63.6-43.9176.1-64.391.4-26.600111G355 R359 L360 V361G355-Q357 PolarHBondContact O-N 3.38Å; Q357-R359 VanDerWaalsContact C-N 3.33Å; Q357-R359 PolarHBondContact O-N 3.33Å; Q357-L360 WeakPolarHBondContact O-CB 3.49Å; Q357-L360 PolarHBondContact O-N 3.33Å; Q357-V361 WeakPolarHBondContact O-CG2 3.4Å; Q357-V361 PolarHBondContact O-N 3.44Å
358D90.3Very high83.1Confident119 Ų11960.5 Ų60.564%0.63633%0.33SS*.Hα-helixtrans-64.6-40.8179.6-58.9-33.8000110.7G355 L360 V361 E362G355-D358 PolarHBondContact O-N 2.97Å; D358-L360 VanDerWaalsContact C-N 3.33Å; D358-L360 PolarHBondContact O-N 3.48Å; D358-V361 PolarHBondContact O-N 2.88Å; D358-E362 WeakPolarHBondContact O-CB 3.43Å; D358-E362 PolarHBondContact O-N 3Å
359R91.8Very high85Confident15 Ų1557.5 Ų57.56%0.05730%0.302CS..Hα-helixtrans-65.5-34.5174.9-66.2-171.8-65.8-87.21112.8E317 A353 E354 G355 W356 Q357 F363E317-R359 VanDerWaalsContact CD-NH2 3.31Å; E317-R359 IonicContact OE1-CZ 3.36Å; E317-R359 IonicContact OE1-NE 2.7Å; E317-R359 IonicContact OE1-NH2 3.3Å; E317-R359 PolarHBondContact OE1-NH2 3.4Å; E317-R359 IonicContact OE2-CZ 3.68Å; E317-R359 IonicContact OE2-NE 3Å; E317-R359 PolarHBondContact OE2-NE 3.42Å; E317-R359 IonicContact OE2-NH2 2.64Å; E317-R359 PolarHBondContact OE2-NH2 3.13Å; E317-R359 VanDerWaalsContact OE2-NH2 3.08Å; A353-R359 PolarHBondContact O-NH2 3.11Å; A353-R359 VanDerWaalsContact O-NH2 3.14Å; E354-R359 PolarHBondContact O-NH1 3.01Å; E354-R359 PolarHBondContact O-NH2 3.3Å; G355-R359 PolarHBondContact O-N 3.21Å; G355-R359 PolarHBondContact O-NH1 3.3Å; W356-R359 VanDerWaalsContact CA-NH2 3.33Å; W356-R359 PolarHBondContact O-N 3.16Å; Q357-R359 VanDerWaalsContact C-N 3.33Å; Q357-R359 PolarHBondContact O-N 3.33Å; R359-F363 PolarHBondContact O-N 3.01Å
360L90.5Very high86.8Confident45 Ų4554.3 Ų54.324%0.23628%0.283CS..Hα-helixtrans-69.5-40.5174.2178.762.4000111.5V318 W356 Q357 D358 F363 T364V318-L360 HydrophobicContact CB-CD1 4.4Å; V318-L360 HydrophobicContact CG1-CD1 4.21Å; V318-L360 HydrophobicContact CG2-CD1 3.86Å; W356-L360 HydrophobicContact CE3-CD2 4.42Å; W356-L360 HydrophobicContact CZ3-CD2 3.85Å; W356-L360 WeakPolarHBondContact O-CB 3.5Å; W356-L360 PolarHBondContact O-N 2.85Å; Q357-L360 WeakPolarHBondContact O-CB 3.49Å; Q357-L360 PolarHBondContact O-N 3.33Å; D358-L360 VanDerWaalsContact C-N 3.33Å; D358-L360 PolarHBondContact O-N 3.48Å; L360-F363 PolarHBondContact O-N 3.07Å; L360-T364 PolarHBondContact O-N 3.31Å; L360-T364 PolarHBondContact O-OG1 3.46Å
361V93.9Very high88.4Confident97 Ų9754 Ų5459%0.58828%0.28SS*.Hα-helixtrans-63.3-45.2174170.70000110.1Q357 D358 F363 T364 N365Q357-V361 WeakPolarHBondContact O-CG2 3.4Å; Q357-V361 PolarHBondContact O-N 3.44Å; D358-V361 PolarHBondContact O-N 2.88Å; V361-F363 VanDerWaalsContact C-N 3.34Å; V361-F363 PolarHBondContact O-N 3.01Å; V361-T364 WeakPolarHBondContact O-CB 3.29Å; V361-T364 PolarHBondContact O-N 3.49Å; V361-T364 VanDerWaalsContact O-N 3.12Å; V361-N365 PolarHBondContact O-N 3.31Å
362E94.8Very high89.5Confident37 Ų3751.8 Ų51.817%0.17327%0.273CS..Hα-helixtrans-58.5-44.6175.7-169.995.5160.800111.6R283 F311 F312 V313 D358 T364 N365 F366R283-E362 VanDerWaalsContact NH2-CD 3.3Å; R283-E362 IonicContact NH2-OE1 3.97Å; R283-E362 PolarHBondContact NH2-OE1 3.34Å; R283-E362 IonicContact NH2-OE2 3.98Å; R283-E362 PolarHBondContact NH2-OE2 3.4Å; F311-E362 HydrophobicContact CB-CG 4.39Å; F311-E362 HydrophobicContact CD1-CG 4.28Å; F312-E362 PolarHBondContact N-OE1 3.02Å; F312-E362 WeakPolarHBondContact O-CG 3.5Å; V313-E362 HydrophobicContact CG1-CB 4.49Å; V313-E362 HydrophobicContact CG1-CG 4.11Å; D358-E362 WeakPolarHBondContact O-CB 3.43Å; D358-E362 PolarHBondContact O-N 3Å; E362-T364 VanDerWaalsContact C-N 3.29Å; E362-T364 PolarHBondContact O-N 3.37Å; E362-N365 WeakPolarHBondContact O-CB 3.36Å; E362-N365 PolarHBondContact O-N 3.27Å; E362-F366 PolarHBondContact O-N 3.43Å
363F95.6Very high90.7Very high0 Ų049.5 Ų49.50%026%0.262CS..Hα-helixtrans-63.6-37.2176.9-164.7-79.1000111.9V111 A114 M115 V313 A315 V318 R359 L360 V361 F366 E367V111-F363 HydrophobicContact CG1-CE2 4.41Å; V111-F363 HydrophobicContact CG1-CZ 4.45Å; A114-F363 HydrophobicContact CB-CE1 4.37Å; A114-F363 HydrophobicContact CB-CE2 4.21Å; A114-F363 HydrophobicContact CB-CZ 3.73Å; M115-F363 HydrophobicContact CG-CE1 4.07Å; M115-F363 HydrophobicContact CG-CZ 3.85Å; V313-F363 HydrophobicContact CB-CB 4.47Å; V313-F363 HydrophobicContact CB-CD2 3.88Å; V313-F363 HydrophobicContact CG1-CB 4.17Å; V313-F363 HydrophobicContact CG1-CD2 4.03Å; V313-F363 HydrophobicContact CG2-CD2 3.98Å; V313-F363 HydrophobicContact CG2-CE2 4.41Å; A315-F363 HydrophobicContact CB-CE2 4.35Å; V318-F363 HydrophobicContact CB-CD2 4.41Å; V318-F363 HydrophobicContact CB-CG 4.33Å; V318-F363 HydrophobicContact CG1-CD1 3.79Å; V318-F363 HydrophobicContact CG1-CD2 4.5Å; V318-F363 HydrophobicContact CG1-CE1 3.95Å; V318-F363 HydrophobicContact CG1-CG 4.09Å; V318-F363 HydrophobicContact CG1-CZ 4.38Å; V318-F363 HydrophobicContact CG2-CB 3.68Å; V318-F363 HydrophobicContact CG2-CD1 4.22Å; V318-F363 HydrophobicContact CG2-CD2 3.85Å; V318-F363 HydrophobicContact CG2-CG 3.65Å; R359-F363 PolarHBondContact O-N 3.01Å; L360-F363 PolarHBondContact O-N 3.07Å; V361-F363 VanDerWaalsContact C-N 3.34Å; V361-F363 PolarHBondContact O-N 3.01Å; F363-F366 HydrophobicContact CD1-CD1 4.47Å; F363-F366 HydrophobicContact CE1-CD1 4.39Å; F363-F366 HydrophobicContact CZ-CD1 4.45Å; F363-F366 HydrophobicContact CZ-CE1 4.43Å; F363-F366 WeakPolarHBondContact O-CB 3.16Å; F363-F366 PolarHBondContact O-N 3.26Å; F363-E367 HydrophobicContact CD1-CG 4.11Å; F363-E367 HydrophobicContact CE1-CG 3.95Å; F363-E367 PolarHBondContact O-N 3.31Å
364T93Very high91.6Very high64 Ų6448.5 Ų48.539%0.39325%0.254SS..Hα-helixtrans-67.5-40.4176.4-54.60000110.9L360 V361 E362 E367 T368L360-T364 PolarHBondContact O-N 3.31Å; L360-T364 PolarHBondContact O-OG1 3.46Å; V361-T364 WeakPolarHBondContact O-CB 3.29Å; V361-T364 PolarHBondContact O-N 3.49Å; V361-T364 VanDerWaalsContact O-N 3.12Å; E362-T364 VanDerWaalsContact C-N 3.29Å; E362-T364 PolarHBondContact O-N 3.37Å; T364-E367 PolarHBondContact O-N 2.7Å; T364-T368 PolarHBondContact O-N 3.31Å; T364-T368 PolarHBondContact O-OG1 2.97Å
365N94.6Very high92.2Very high79 Ų7940.6 Ų40.642%0.42222%0.217SC..Hα-helixtrans-61.8-43.9174.3-172.533.8000111.4V361 E362 E367 T368 V369V361-N365 PolarHBondContact O-N 3.31Å; E362-N365 WeakPolarHBondContact O-CB 3.36Å; E362-N365 PolarHBondContact O-N 3.27Å; N365-E367 VanDerWaalsContact C-N 3.34Å; N365-E367 PolarHBondContact O-N 2.95Å; N365-T368 PolarHBondContact O-N 3.35Å; N365-V369 WeakPolarHBondContact O-CG2 3.43Å; N365-V369 PolarHBondContact O-N 2.94Å
366F95.5Very high92.5Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-52-51.7170.8154.7-107.2000111.2M115 I233 I265 F311 E362 F363 T368 V369 F370M115-F366 HydrophobicContact CE-CE1 4.13Å; M115-F366 HydrophobicContact CE-CZ 4.17Å; M115-F366 HydrophobicContact CG-CE1 4.37Å; M115-F366 HydrophobicContact SD-CE1 3.87Å; M115-F366 HydrophobicContact SD-CZ 4.09Å; I233-F366 HydrophobicContact CD1-CE2 4.06Å; I233-F366 HydrophobicContact CD1-CZ 3.8Å; I265-F366 HydrophobicContact CD1-CD1 4.32Å; I265-F366 HydrophobicContact CD1-CD2 4.15Å; I265-F366 HydrophobicContact CD1-CE1 3.92Å; I265-F366 HydrophobicContact CD1-CE2 3.73Å; I265-F366 HydrophobicContact CD1-CG 4.44Å; I265-F366 HydrophobicContact CD1-CZ 3.62Å; I265-F366 HydrophobicContact CG1-CD2 4.36Å; I265-F366 HydrophobicContact CG1-CE2 4.25Å; F311-F366 HydrophobicContact CB-CB 4.27Å; F311-F366 HydrophobicContact CD1-CB 3.65Å; F311-F366 HydrophobicContact CD2-CB 3.98Å; F311-F366 AromaticContact CD2-CD2 3.87Å; F311-F366 HydrophobicContact CD2-CD2 3.87Å; F311-F366 HydrophobicContact CD2-CG 4.35Å; F311-F366 VanDerWaalsContact CE1-CA 3.45Å; F311-F366 HydrophobicContact CE1-CB 3.91Å; F311-F366 HydrophobicContact CE2-CB 4.22Å; F311-F366 HydrophobicContact CE2-CD2 4.02Å; F311-F366 HydrophobicContact CG-CB 3.68Å; F311-F366 HydrophobicContact CG-CD2 4.39Å; F311-F366 HydrophobicContact CG-CG 4.43Å; F311-F366 HydrophobicContact CZ-CB 4.19Å; E362-F366 PolarHBondContact O-N 3.43Å; F363-F366 HydrophobicContact CD1-CD1 4.47Å; F363-F366 HydrophobicContact CE1-CD1 4.39Å; F363-F366 HydrophobicContact CZ-CD1 4.45Å; F363-F366 HydrophobicContact CZ-CE1 4.43Å; F363-F366 WeakPolarHBondContact O-CB 3.16Å; F363-F366 PolarHBondContact O-N 3.26Å; F366-T368 VanDerWaalsContact C-N 3.35Å; F366-T368 PolarHBondContact O-N 2.9Å; F366-V369 PolarHBondContact O-N 3Å; F366-F370 HydrophobicContact CD2-CB 4.23Å; F366-F370 HydrophobicContact CE2-CB 3.78Å; F366-F370 HydrophobicContact CE2-CG 4.22Å; F366-F370 HydrophobicContact CZ-CB 4.11Å; F366-F370 HydrophobicContact CZ-CG 4.17Å; F366-F370 WeakPolarHBondContact O-CB 3.39Å; F366-F370 PolarHBondContact O-N 3Å
367E94.1Very high92.8Very high4 Ų440.2 Ų40.22%0.01921%0.213CC..Hα-helixtrans-60.2-43.2-179.7-73.7-172.2151.400112.3R198 R322 F363 T364 N365 F370 E371R198-E367 IonicContact NH2-OE2 2.68Å; R198-E367 PolarHBondContact NH2-OE2 2.92Å; R322-E367 IonicContact CZ-OE1 2.79Å; R322-E367 IonicContact CZ-OE2 3.87Å; R322-E367 IonicContact NH1-OE1 3.97Å; R322-E367 PolarHBondContact NH1-OE1 2.94Å; R322-E367 IonicContact NH1-OE2 3.4Å; R322-E367 VanDerWaalsContact NH2-CD 3.28Å; R322-E367 IonicContact NH2-OE1 3.03Å; R322-E367 PolarHBondContact NH2-OE1 3.34Å; R322-E367 IonicContact NH2-OE2 2.73Å; R322-E367 PolarHBondContact NH2-OE2 2.9Å; F363-E367 HydrophobicContact CD1-CG 4.11Å; F363-E367 HydrophobicContact CE1-CG 3.95Å; F363-E367 PolarHBondContact O-N 3.31Å; T364-E367 PolarHBondContact O-N 2.7Å; N365-E367 VanDerWaalsContact C-N 3.34Å; N365-E367 PolarHBondContact O-N 2.95Å; E367-F370 PolarHBondContact O-N 3.44Å; E367-E371 WeakPolarHBondContact O-CB 3.32Å; E367-E371 VanDerWaalsContact O-CG 3.24Å; E367-E371 WeakPolarHBondContact O-CG 3.16Å; E367-E371 PolarHBondContact O-N 3.19Å
368T92.6Very high93Very high63 Ų6335.6 Ų35.639%0.38719%0.192SC..Hα-helixtrans-59.9-49.1177.7-610000111.9T364 N365 F366 K372T364-T368 PolarHBondContact O-N 3.31Å; T364-T368 PolarHBondContact O-OG1 2.97Å; N365-T368 PolarHBondContact O-N 3.35Å; F366-T368 VanDerWaalsContact C-N 3.35Å; F366-T368 PolarHBondContact O-N 2.9Å; T368-K372 PolarHBondContact O-N 2.73Å
369V93.3Very high93.1Very high37 Ų3730.1 Ų30.122%0.22416%0.162CC..Hα-helixtrans-67.8-40.4179.6-179.90000111F263 F311 N365 F366 N373F263-V369 HydrophobicContact CE1-CG1 3.88Å; F263-V369 HydrophobicContact CZ-CG1 4.19Å; F311-V369 HydrophobicContact CZ-CB 4.11Å; F311-V369 HydrophobicContact CZ-CG1 4.43Å; F311-V369 HydrophobicContact CZ-CG2 4.27Å; N365-V369 WeakPolarHBondContact O-CG2 3.43Å; N365-V369 PolarHBondContact O-N 2.94Å; F366-V369 PolarHBondContact O-N 3Å; V369-N373 WeakPolarHBondContact CG1-ND2 3.43Å; V369-N373 WeakPolarHBondContact O-CB 3.45Å; V369-N373 PolarHBondContact O-N 2.99Å; V369-N373 PolarHBondContact O-ND2 3.16Å
370F94.2Very high93Very high0 Ų036.2 Ų36.20%019%0.185CC..Hα-helixtrans-60.3-51.4176.4162.7-107.7000111.8C98 M115 V231 I233 F366 E367 K372 N373 L374C98-F370 HydrophobicContact CB-CE2 3.9Å; C98-F370 HydrophobicContact CB-CZ 3.82Å; C98-F370 WeakPolarHBondContact SG-CE2 3.21Å; M115-F370 HydrophobicContact CE-CD1 3.71Å; M115-F370 HydrophobicContact CE-CE1 3.4Å; M115-F370 HydrophobicContact CE-CZ 4.04Å; V231-F370 HydrophobicContact CB-CE2 4.24Å; V231-F370 HydrophobicContact CG1-CD2 4.04Å; V231-F370 HydrophobicContact CG1-CE2 3.93Å; I233-F370 HydrophobicContact CD1-CD2 4Å; I233-F370 HydrophobicContact CD1-CE2 3.91Å; F366-F370 HydrophobicContact CD2-CB 4.23Å; F366-F370 HydrophobicContact CE2-CB 3.78Å; F366-F370 HydrophobicContact CE2-CG 4.22Å; F366-F370 HydrophobicContact CZ-CB 4.11Å; F366-F370 HydrophobicContact CZ-CG 4.17Å; F366-F370 WeakPolarHBondContact O-CB 3.39Å; F366-F370 PolarHBondContact O-N 3Å; E367-F370 PolarHBondContact O-N 3.44Å; F370-K372 VanDerWaalsContact C-N 3.3Å; F370-K372 PolarHBondContact O-N 3.25Å; F370-N373 PolarHBondContact O-N 2.64Å; F370-L374 HydrophobicContact CE1-CD2 4.12Å; F370-L374 HydrophobicContact CE2-CB 4.21Å; F370-L374 HydrophobicContact CE2-CD1 4.46Å; F370-L374 HydrophobicContact CE2-CD2 4.23Å; F370-L374 HydrophobicContact CZ-CB 4.39Å; F370-L374 HydrophobicContact CZ-CD2 3.66Å; F370-L374 HydrophobicContact CZ-CG 4.43Å; F370-L374 WeakPolarHBondContact O-CB 3.43Å; F370-L374 PolarHBondContact O-N 3.13Å
371E93.9Very high92.9Very high1 Ų137.9 Ų37.91%0.00520%0.197CC..Hα-helixtrans-65.4-35.4-176.5-74.7174.7-12000112.5H25 L28 R198 L199 E367 S375H25-E371 HydrophobicContact CB-CB 4.08Å; H25-E371 WeakPolarHBondContact CB-OE2 3.45Å; H25-E371 IonicContact CG-OE2 3.46Å; L28-E371 HydrophobicContact CD1-CB 4.37Å; L28-E371 HydrophobicContact CD1-CG 3.97Å; L28-E371 WeakPolarHBondContact CD1-OE2 3.34Å; L28-E371 HydrophobicContact CD2-CB 4.12Å; L28-E371 HydrophobicContact CD2-CG 4.33Å; L28-E371 HydrophobicContact CG-CB 4.14Å; L28-E371 HydrophobicContact CG-CG 4.28Å; R198-E371 IonicContact CZ-OE1 2.7Å; R198-E371 IonicContact CZ-OE2 3.02Å; R198-E371 IonicContact NH1-OE1 3.73Å; R198-E371 PolarHBondContact NH1-OE1 2.69Å; R198-E371 IonicContact NH1-OE2 3.32Å; R198-E371 PolarHBondContact NH1-OE2 3.48Å; R198-E371 IonicContact NH2-OE1 3.32Å; R198-E371 PolarHBondContact NH2-OE1 3Å; L199-E371 HydrophobicContact CD2-CG 3.84Å; E367-E371 WeakPolarHBondContact O-CB 3.32Å; E367-E371 VanDerWaalsContact O-CG 3.24Å; E367-E371 WeakPolarHBondContact O-CG 3.16Å; E367-E371 PolarHBondContact O-N 3.19Å; E371-S375 WeakPolarHBondContact O-CB 3.29Å; E371-S375 PolarHBondContact O-N 2.87Å
372K91.8Very high92.8Very high89 Ų8934.4 Ų34.439%0.38717%0.174SC..Hα-helixtrans-58.1-64.2169175.1170.2-179.8-177.10109.8T368 F370 L374 S375 E376T368-K372 PolarHBondContact O-N 2.73Å; F370-K372 VanDerWaalsContact C-N 3.3Å; F370-K372 PolarHBondContact O-N 3.25Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.41Å; K372-S375 PolarHBondContact O-N 2.94Å; K372-S375 VanDerWaalsContact O-N 3.08Å; K372-E376 WeakPolarHBondContact CE-OE1 3.24Å; K372-E376 HydrophobicContact CG-CG 4.21Å; K372-E376 VanDerWaalsContact CG-OE1 3.31Å; K372-E376 WeakPolarHBondContact CG-OE1 3.4Å; K372-E376 WeakPolarHBondContact O-CG 3.35Å; K372-E376 PolarHBondContact O-N 2.67Å
373N91.9Very high92.7Very high32 Ų3232.6 Ų32.617%0.17117%0.166CC..Hα-helixtrans-58.5-39.8-174.8-82.2-83.1000113.3F263 V369 F370 S375 E376 S377F263-N373 HydrophobicContact CE2-CB 4.04Å; F263-N373 HydrophobicContact CZ-CB 3.86Å; V369-N373 WeakPolarHBondContact CG1-ND2 3.43Å; V369-N373 WeakPolarHBondContact O-CB 3.45Å; V369-N373 PolarHBondContact O-N 2.99Å; V369-N373 PolarHBondContact O-ND2 3.16Å; F370-N373 PolarHBondContact O-N 2.64Å; N373-S375 VanDerWaalsContact C-N 3.34Å; N373-S375 PolarHBondContact O-N 3.49Å; N373-E376 PolarHBondContact O-N 2.93Å; N373-S377 WeakPolarHBondContact O-CB 3.31Å; N373-S377 PolarHBondContact O-N 2.91Å
374L94.1Very high92.6Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-58.3-48.4176.4179.668.3000110.9L28 M96 C98 V204 D230 V231 F370 K372 A378L28-L374 HydrophobicContact CD2-CD2 4.44Å; M96-L374 HydrophobicContact CB-CD1 4.16Å; M96-L374 HydrophobicContact CB-CD2 3.98Å; M96-L374 HydrophobicContact CB-CG 3.95Å; M96-L374 HydrophobicContact CG-CG 4.46Å; M96-L374 HydrophobicContact SD-CD2 4.3Å; M96-L374 HydrophobicContact SD-CG 4.16Å; C98-L374 HydrophobicContact CB-CD1 4.36Å; V204-L374 HydrophobicContact CB-CD2 4.47Å; V204-L374 HydrophobicContact CG1-CD2 3.81Å; V204-L374 HydrophobicContact CG2-CD2 3.84Å; D230-L374 HydrophobicContact CB-CD1 3.95Å; V231-L374 HydrophobicContact CB-CD1 4.04Å; V231-L374 HydrophobicContact CG2-CB 4.03Å; V231-L374 HydrophobicContact CG2-CD1 3.74Å; F370-L374 HydrophobicContact CE1-CD2 4.12Å; F370-L374 HydrophobicContact CE2-CB 4.21Å; F370-L374 HydrophobicContact CE2-CD1 4.46Å; F370-L374 HydrophobicContact CE2-CD2 4.23Å; F370-L374 HydrophobicContact CZ-CB 4.39Å; F370-L374 HydrophobicContact CZ-CD2 3.66Å; F370-L374 HydrophobicContact CZ-CG 4.43Å; F370-L374 WeakPolarHBondContact O-CB 3.43Å; F370-L374 PolarHBondContact O-N 3.13Å; K372-L374 VanDerWaalsContact C-N 3.31Å; K372-L374 PolarHBondContact O-N 3.41Å; L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.01Å
375S92.9Very high92.5Very high0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-66.7-44.8-179.6-177.80000112.3H27 E371 K372 N373 T379 W770H27-S375 WeakPolarHBondContact O-CB 3.16Å; H27-S375 PolarHBondContact O-OG 3.46Å; E371-S375 WeakPolarHBondContact O-CB 3.29Å; E371-S375 PolarHBondContact O-N 2.87Å; K372-S375 PolarHBondContact O-N 2.94Å; K372-S375 VanDerWaalsContact O-N 3.08Å; N373-S375 VanDerWaalsContact C-N 3.34Å; N373-S375 PolarHBondContact O-N 3.49Å; S375-T379 WeakPolarHBondContact O-CB 3.38Å; S375-T379 PolarHBondContact O-N 3.04Å; S375-T379 PolarHBondContact O-OG1 3.32Å; S375-W770 WeakPolarHBondContact OG-CH2 3.47Å
376E90Very high92.4Very high58 Ų5830.7 Ų30.727%0.27116%0.163SC..Hα-helixtrans-64.6-44.2179.3-28.1-165.814800111H27 K372 N373 R380 W770H27-E376 IonicContact CE1-OE1 3.91Å; H27-E376 IonicContact ND1-OE1 3.04Å; K372-E376 WeakPolarHBondContact CE-OE1 3.24Å; K372-E376 HydrophobicContact CG-CG 4.21Å; K372-E376 VanDerWaalsContact CG-OE1 3.31Å; K372-E376 WeakPolarHBondContact CG-OE1 3.4Å; K372-E376 WeakPolarHBondContact O-CG 3.35Å; K372-E376 PolarHBondContact O-N 2.67Å; N373-E376 PolarHBondContact O-N 2.93Å; E376-R380 WeakPolarHBondContact O-CB 3.44Å; E376-R380 PolarHBondContact O-N 2.69Å; E376-R380 VanDerWaalsContact O-N 3.09Å; E376-W770 HydrophobicContact CB-CZ2 4.29Å; E376-W770 HydrophobicContact CG-CZ2 3.87Å; E376-W770 PolarHBondContact OE1-NE1 3.04Å
377S90.7Very high92.4Very high8 Ų830.8 Ų30.86%0.05616%0.164CC..Hα-helixtrans-58.4-55.8177.3-170.20000110.8D230 N261 N373 T379 R380 T381D230-S377 PolarHBondContact O-OG 2.75Å; N261-S377 WeakPolarHBondContact ND2-CB 3.44Å; N261-S377 PolarHBondContact ND2-OG 3.3Å; N373-S377 WeakPolarHBondContact O-CB 3.31Å; N373-S377 PolarHBondContact O-N 2.91Å; S377-T379 PolarHBondContact O-N 3.4Å; S377-R380 PolarHBondContact O-N 3.19Å; S377-T381 WeakPolarHBondContact O-CG2 3.46Å; S377-T381 PolarHBondContact O-N 3.38Å; S377-T381 PolarHBondContact O-OG1 3.43Å
378A93Very high92.4Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-65.3-38.8-176.500000112.7F31 M96 D230 L374 R380 T381 K382F31-A378 HydrophobicContact CD2-CB 3.89Å; F31-A378 HydrophobicContact CE2-CB 3.62Å; M96-A378 HydrophobicContact CB-CB 4.19Å; M96-A378 HydrophobicContact CG-CB 3.57Å; M96-A378 HydrophobicContact SD-CB 4.47Å; D230-A378 HydrophobicContact CB-CB 4.02Å; D230-A378 WeakPolarHBondContact OD1-CA 3.44Å; L374-A378 WeakPolarHBondContact O-CB 3.43Å; L374-A378 PolarHBondContact O-N 3.01Å; A378-R380 VanDerWaalsContact C-N 3.31Å; A378-R380 PolarHBondContact O-N 3.45Å; A378-T381 WeakPolarHBondContact CA-OG1 3.41Å; A378-T381 PolarHBondContact O-OG1 3.36Å; A378-K382 WeakPolarHBondContact O-CB 3.13Å; A378-K382 VanDerWaalsContact O-CG 3.3Å; A378-K382 WeakPolarHBondContact O-CG 3.18Å; A378-K382 PolarHBondContact O-N 2.86Å
379T92.6Very high92.4Very high3 Ų334.3 Ų34.32%0.01818%0.176CC..Hα-helixtrans-60.4-45.5176.4-58.10000109.9A34 S375 S377 F383 F765 I766A34-T379 HydrophobicContact CB-CG2 4.17Å; S375-T379 WeakPolarHBondContact O-CB 3.38Å; S375-T379 PolarHBondContact O-N 3.04Å; S375-T379 PolarHBondContact O-OG1 3.32Å; S377-T379 PolarHBondContact O-N 3.4Å; T379-F383 HydrophobicContact CG2-CD2 4Å; T379-F383 VanDerWaalsContact O-CB 3.29Å; T379-F383 WeakPolarHBondContact O-CB 3.36Å; T379-F383 PolarHBondContact O-N 3.46Å; T379-F383 VanDerWaalsContact O-N 3.1Å; T379-F765 HydrophobicContact CG2-CB 4.09Å; T379-F765 VanDerWaalsContact CG2-O 3.31Å; T379-F765 WeakPolarHBondContact CG2-O 3.44Å; T379-I766 HydrophobicContact CG2-CD1 4.23Å
380R89.8Confident92.6Very high143 Ų14332.6 Ų32.654%0.5417%0.165SC..Hα-helixtrans-68.2-51.1179.1-172.9179.165.7-170.1-1.9112.3E376 S377 A378 K382 A384E376-R380 WeakPolarHBondContact O-CB 3.44Å; E376-R380 PolarHBondContact O-N 2.69Å; E376-R380 VanDerWaalsContact O-N 3.09Å; S377-R380 PolarHBondContact O-N 3.19Å; A378-R380 VanDerWaalsContact C-N 3.31Å; A378-R380 PolarHBondContact O-N 3.45Å; R380-K382 PolarHBondContact O-N 3.46Å; R380-A384 WeakPolarHBondContact O-CB 3.24Å; R380-A384 PolarHBondContact O-N 2.9Å
381T89.1Confident92.6Very high80 Ų8035.2 Ų35.249%0.49118%0.177SC..Hα-helixtrans-68.3-35.5-174.654.80000112.4D230 S377 A378D230-T381 PolarHBondContact OD1-OG1 2.87Å; S377-T381 WeakPolarHBondContact O-CG2 3.46Å; S377-T381 PolarHBondContact O-N 3.38Å; S377-T381 PolarHBondContact O-OG1 3.43Å; A378-T381 WeakPolarHBondContact CA-OG1 3.41Å; A378-T381 PolarHBondContact O-OG1 3.36Å
382K91.3Very high92.7Very high24 Ų2439 Ų3910%0.10420%0.197CC..Hα-helixtrans-94.7-23.9-173.7-54.5-165.3-164.6-148.10114.2N94 Q95 D228 D230 A378 R380 H386N94-K382 HydrophobicContact CB-CB 4.38Å; N94-K382 HydrophobicContact CB-CD 4.1Å; N94-K382 PolarHBondContact ND2-O 3.48Å; Q95-K382 WeakPolarHBondContact O-CD 3.38Å; Q95-K382 WeakPolarHBondContact O-CE 3.27Å; Q95-K382 PolarHBondContact O-NZ 3.12Å; D228-K382 PolarHBondContact O-NZ 3.03Å; D230-K382 WeakPolarHBondContact OD1-CE 3.47Å; D230-K382 IonicContact OD1-NZ 2.75Å; D230-K382 WeakPolarHBondContact OD2-CE 3.33Å; D230-K382 IonicContact OD2-NZ 3.12Å; D230-K382 PolarHBondContact OD2-NZ 3.45Å; A378-K382 WeakPolarHBondContact O-CB 3.13Å; A378-K382 VanDerWaalsContact O-CG 3.3Å; A378-K382 WeakPolarHBondContact O-CG 3.18Å; A378-K382 PolarHBondContact O-N 2.86Å; R380-K382 PolarHBondContact O-N 3.46Å; K382-H386 PolarHBondContact O-CD2 3.27Å
383F93.7Very high93Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-115.5-26.9-174.8-54.7-42.8000114.9F31 A34 K35 L38 I91 N94 T379 A385 H386 S387 F761 I766F31-F383 AromaticContact CD2-CE2 3.74Å; F31-F383 HydrophobicContact CD2-CE2 3.74Å; F31-F383 HydrophobicContact CD2-CZ 4.32Å; F31-F383 HydrophobicContact CE1-CZ 4.28Å; F31-F383 HydrophobicContact CE2-CD2 4.43Å; F31-F383 AromaticContact CE2-CE2 3.44Å; F31-F383 HydrophobicContact CE2-CE2 3.44Å; F31-F383 VanDerWaalsContact CE2-CE2 3.44Å; F31-F383 AromaticContact CE2-CZ 3.64Å; F31-F383 HydrophobicContact CE2-CZ 3.64Å; F31-F383 HydrophobicContact CG-CE2 4.42Å; F31-F383 AromaticContact CZ-CE2 3.91Å; F31-F383 HydrophobicContact CZ-CE2 3.91Å; F31-F383 AromaticContact CZ-CZ 3.62Å; F31-F383 HydrophobicContact CZ-CZ 3.62Å; A34-F383 HydrophobicContact CB-CD2 4.04Å; A34-F383 HydrophobicContact CB-CE2 4.06Å; K35-F383 HydrophobicContact CB-CE1 4.34Å; K35-F383 HydrophobicContact CB-CE2 4.24Å; K35-F383 HydrophobicContact CB-CZ 3.63Å; K35-F383 HydrophobicContact CG-CE1 4.42Å; K35-F383 HydrophobicContact CG-CZ 4.07Å; L38-F383 HydrophobicContact CD2-CB 3.86Å; L38-F383 HydrophobicContact CD2-CD1 3.72Å; L38-F383 HydrophobicContact CD2-CG 4.03Å; I91-F383 HydrophobicContact CG2-CE1 4.45Å; N94-F383 HydrophobicContact CB-CE1 4.14Å; T379-F383 HydrophobicContact CG2-CD2 4Å; T379-F383 VanDerWaalsContact O-CB 3.29Å; T379-F383 WeakPolarHBondContact O-CB 3.36Å; T379-F383 PolarHBondContact O-N 3.46Å; T379-F383 VanDerWaalsContact O-N 3.1Å; F383-A385 PolarHBondContact O-N 3Å; F383-H386 PolarHBondContact O-N 3.05Å; F383-S387 WeakPolarHBondContact O-CB 3.3Å; F383-S387 PolarHBondContact O-N 3.39Å; F383-F761 HydrophobicContact CB-CE1 4.23Å; F383-F761 HydrophobicContact CB-CZ 4.15Å; F383-I766 HydrophobicContact CB-CD1 4.36Å
384A91.5Very high93.2Very high21 Ų2133.3 Ų33.317%0.17417%0.171CC..Hα-helixtrans-60.5-48.2-175.600000112.5R380 H386 S387 E388 I766R380-A384 WeakPolarHBondContact O-CB 3.24Å; R380-A384 PolarHBondContact O-N 2.9Å; A384-H386 VanDerWaalsContact C-N 3.32Å; A384-H386 PolarHBondContact O-N 3.49Å; A384-S387 PolarHBondContact O-N 3.26Å; A384-E388 PolarHBondContact O-N 3.38Å; A384-E388 VanDerWaalsContact O-N 3.07Å; A384-I766 HydrophobicContact CB-CD1 4.05Å; A384-I766 HydrophobicContact CB-CG1 4.39Å; A384-I766 HydrophobicContact CB-CG2 3.9Å
385A91.5Very high93.3Very high56 Ų5636.2 Ų36.246%0.46319%0.186SC..Hα-helixtrans-64.4-36.8-179.800000112.3F383 Q389F383-A385 PolarHBondContact O-N 3Å; A385-Q389 WeakPolarHBondContact O-CB 3.5Å; A385-Q389 WeakPolarHBondContact O-CG 3.42Å; A385-Q389 PolarHBondContact O-N 2.99Å
386H93.8Very high93.5Very high26 Ų2642.9 Ų42.912%0.1221%0.211CC..Hα-helixtrans-71-42.2176.3-64.5-39000111.3L38 Y42 I87 I90 I91 K382 F383 A384 E388 Q389 G390L38-H386 HydrophobicContact CD2-CB 4.34Å; Y42-H386 HydrophobicContact CE2-CB 4.48Å; Y42-H386 PolarHBondContact OH-O 2.73Å; I87-H386 HydrophobicContact CG2-CB 3.97Å; I87-H386 WeakPolarHBondContact CG2-ND1 3.25Å; I90-H386 WeakPolarHBondContact CG2-NE2 3.43Å; I91-H386 HydrophobicContact CD1-CB 4.3Å; I91-H386 HydrophobicContact CG1-CB 4.5Å; K382-H386 PolarHBondContact O-CD2 3.27Å; F383-H386 PolarHBondContact O-N 3.05Å; A384-H386 VanDerWaalsContact C-N 3.32Å; A384-H386 PolarHBondContact O-N 3.49Å; H386-E388 VanDerWaalsContact C-N 3.32Å; H386-E388 PolarHBondContact O-N 3.11Å; H386-Q389 PolarHBondContact O-N 3.39Å; H386-G390 PolarHBondContact O-N 3Å
387S94Very high93.8Very high1 Ų140.1 Ų40.11%0.00720%0.198CC..Hα-helixtrans-54.4-47.5173.7178.60000112F383 A384 G390 K391F383-S387 WeakPolarHBondContact O-CB 3.3Å; F383-S387 PolarHBondContact O-N 3.39Å; A384-S387 PolarHBondContact O-N 3.26Å; S387-G390 PolarHBondContact O-N 2.89Å; S387-K391 PolarHBondContact O-N 2.91Å
388E93.8Very high94.1Very high75 Ų7542.4 Ų42.435%0.3521%0.206SC..Hα-helixtrans-65-44175.4-72.7-59.814300112.5A384 H386 G390 K391 D392 H762A384-E388 PolarHBondContact O-N 3.38Å; A384-E388 VanDerWaalsContact O-N 3.07Å; H386-E388 VanDerWaalsContact C-N 3.32Å; H386-E388 PolarHBondContact O-N 3.11Å; E388-G390 VanDerWaalsContact C-N 3.33Å; E388-G390 PolarHBondContact O-N 3.17Å; E388-K391 WeakPolarHBondContact O-CB 3.34Å; E388-K391 PolarHBondContact O-N 3.43Å; E388-K391 VanDerWaalsContact O-N 3.14Å; E388-D392 PolarHBondContact O-N 2.82Å; E388-H762 IonicContact OE1-CE1 3.76Å; E388-H762 IonicContact OE1-ND1 2.76Å
389Q94.6Very high94.2Very high67 Ų6745.2 Ų45.231%0.31322%0.223SC..Hα-helixtrans-62.8-38.5176.9-76.9177.94.300112.9I87 A385 H386 K391 D392 V393I87-Q389 HydrophobicContact CD1-CB 4.2Å; I87-Q389 VanDerWaalsContact CD1-OE1 3.28Å; A385-Q389 WeakPolarHBondContact O-CB 3.5Å; A385-Q389 WeakPolarHBondContact O-CG 3.42Å; A385-Q389 PolarHBondContact O-N 2.99Å; H386-Q389 PolarHBondContact O-N 3.39Å; Q389-K391 VanDerWaalsContact C-N 3.31Å; Q389-D392 PolarHBondContact O-N 3.38Å; Q389-V393 WeakPolarHBondContact O-CG2 3.35Å; Q389-V393 PolarHBondContact O-N 3.45Å
390G95.8Very high94.4Very high0 Ų045.7 Ų45.70%023%0.225CC..Hα-helixtrans-60.8-44.1173.700000110.7Y42 H386 S387 E388 V393 V394Y42-G390 PolarHBondContact OH-N 3.47Å; H386-G390 PolarHBondContact O-N 3Å; S387-G390 PolarHBondContact O-N 2.89Å; E388-G390 VanDerWaalsContact C-N 3.33Å; E388-G390 PolarHBondContact O-N 3.17Å; G390-V393 PolarHBondContact O-N 3.33Å; G390-V394 WeakPolarHBondContact O-CB 3.49Å; G390-V394 VanDerWaalsContact O-CG2 3.27Å; G390-V394 WeakPolarHBondContact O-CG2 3.45Å; G390-V394 PolarHBondContact O-N 3.02Å
391K95.5Very high94.7Very high56 Ų5638.9 Ų38.924%0.24320%0.2CC..Hα-helixtrans-63.6-44.2177.6-174.4175.3174.2177.40112S387 E388 Q389 V393 V394 N395 L758 N759S387-K391 PolarHBondContact O-N 2.91Å; E388-K391 WeakPolarHBondContact O-CB 3.34Å; E388-K391 PolarHBondContact O-N 3.43Å; E388-K391 VanDerWaalsContact O-N 3.14Å; Q389-K391 VanDerWaalsContact C-N 3.31Å; K391-V393 PolarHBondContact O-N 2.91Å; K391-V394 PolarHBondContact O-N 3.17Å; K391-N395 VanDerWaalsContact O-CB 3.32Å; K391-N395 WeakPolarHBondContact O-CB 3.42Å; K391-N395 VanDerWaalsContact O-CG 3.27Å; K391-N395 PolarHBondContact O-N 3.21Å; K391-N395 PolarHBondContact O-ND2 3.01Å; K391-L758 HydrophobicContact CB-CD1 4.05Å; K391-N759 VanDerWaalsContact CE-OD1 3.23Å; K391-N759 WeakPolarHBondContact CE-OD1 3.39Å; K391-N759 PolarHBondContact NZ-OD1 3.33Å
392D96.2Very high95Very high81 Ų8137 Ų3743%0.43319%0.185SC..Hα-helixtrans-59.7-45.8175.5-78.9-15.1000112.1E388 Q389 N395 R396E388-D392 PolarHBondContact O-N 2.82Å; Q389-D392 PolarHBondContact O-N 3.38Å; D392-N395 PolarHBondContact O-N 2.92Å; D392-R396 WeakPolarHBondContact O-CG 3.32Å; D392-R396 PolarHBondContact O-N 3.32Å
393V96.3Very high95.2Very high1 Ų140 Ų401%0.00620%0.203CC..Hα-helixtrans-64.5-47.8178.6171.50000110.6V49 H80 K83 I84 Q389 G390 K391 N395 R396 V397V49-V393 HydrophobicContact CG2-CG1 4.23Å; H80-V393 HydrophobicContact CB-CG1 3.87Å; K83-V393 HydrophobicContact CD-CG2 4.12Å; I84-V393 HydrophobicContact CD1-CB 4.03Å; I84-V393 HydrophobicContact CD1-CG1 3.89Å; I84-V393 HydrophobicContact CD1-CG2 4.11Å; I84-V393 HydrophobicContact CG1-CG1 3.88Å; Q389-V393 WeakPolarHBondContact O-CG2 3.35Å; Q389-V393 PolarHBondContact O-N 3.45Å; G390-V393 PolarHBondContact O-N 3.33Å; K391-V393 PolarHBondContact O-N 2.91Å; V393-N395 VanDerWaalsContact C-N 3.27Å; V393-N395 PolarHBondContact O-N 3.17Å; V393-R396 PolarHBondContact O-N 2.97Å; V393-V397 HydrophobicContact CG1-CG2 4.46Å; V393-V397 WeakPolarHBondContact O-CG2 3.32Å; V393-V397 PolarHBondContact O-N 2.71Å
394V97.4Very high95.2Very high0 Ų040.1 Ų40.10%020%0.203CC..Hα-helixtrans-57.5-43.1177169.50000110.6I45 G390 K391 R398 A751 L754 L758I45-V394 HydrophobicContact CD1-CG2 4.09Å; I45-V394 HydrophobicContact CG1-CG2 3.87Å; I45-V394 HydrophobicContact CG2-CG2 4.05Å; G390-V394 WeakPolarHBondContact O-CB 3.49Å; G390-V394 VanDerWaalsContact O-CG2 3.27Å; G390-V394 WeakPolarHBondContact O-CG2 3.45Å; G390-V394 PolarHBondContact O-N 3.02Å; K391-V394 PolarHBondContact O-N 3.17Å; V394-R398 VanDerWaalsContact O-CB 3.24Å; V394-R398 WeakPolarHBondContact O-CB 3.44Å; V394-R398 PolarHBondContact O-N 2.95Å; V394-A751 HydrophobicContact CG1-CB 3.97Å; V394-A751 VanDerWaalsContact CG1-O 3.28Å; V394-A751 WeakPolarHBondContact CG1-O 3.42Å; V394-L754 HydrophobicContact CG1-CB 4Å; V394-L754 HydrophobicContact CG2-CB 4.19Å; V394-L754 HydrophobicContact CG2-CD1 4.38Å; V394-L758 HydrophobicContact CG2-CD1 4.29Å
395N96.9Very high95.4Very high60 Ų6041.9 Ų41.932%0.32121%0.206SC..Hα-helixtrans-66.6-40.2178.5-77.7-28.8000113.2K391 D392 V393 R398 T399K391-N395 VanDerWaalsContact O-CB 3.32Å; K391-N395 WeakPolarHBondContact O-CB 3.42Å; K391-N395 VanDerWaalsContact O-CG 3.27Å; K391-N395 PolarHBondContact O-N 3.21Å; K391-N395 PolarHBondContact O-ND2 3.01Å; D392-N395 PolarHBondContact O-N 2.92Å; V393-N395 VanDerWaalsContact C-N 3.27Å; V393-N395 PolarHBondContact O-N 3.17Å; N395-R398 WeakPolarHBondContact O-CB 3.4Å; N395-R398 PolarHBondContact O-N 2.92Å; N395-T399 PolarHBondContact O-N 3.46Å; N395-T399 PolarHBondContact O-OG1 2.91Å
396R96.1Very high95.6Very high140 Ų14043.9 Ų43.953%0.52821%0.205SC..Hα-helixtrans-63.1-48.6176.1-75176.9-179.4-125.60.8111.6H80 D392 V393 R398 T399 I400H80-R396 WeakPolarHBondContact CE1-CD 3.24Å; H80-R396 VanDerWaalsContact NE2-CD 3.32Å; H80-R396 WeakPolarHBondContact NE2-CD 3.48Å; D392-R396 WeakPolarHBondContact O-CG 3.32Å; D392-R396 PolarHBondContact O-N 3.32Å; V393-R396 PolarHBondContact O-N 2.97Å; R396-R398 VanDerWaalsContact C-N 3.29Å; R396-R398 PolarHBondContact O-N 3.38Å; R396-T399 PolarHBondContact O-N 3.48Å; R396-I400 WeakPolarHBondContact O-CG1 3.2Å; R396-I400 PolarHBondContact O-N 3.45Å
397V96.2Very high95.6Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-65.9-35177.6-173.60000110.7Y48 V49 H80 V393 I400 M401Y48-V397 HydrophobicContact CE1-CB 3.98Å; Y48-V397 HydrophobicContact CE1-CG1 3.91Å; Y48-V397 VanDerWaalsContact OH-CG1 3.27Å; Y48-V397 WeakPolarHBondContact OH-CG1 3.38Å; V49-V397 HydrophobicContact CG2-CG2 4.39Å; H80-V397 HydrophobicContact CB-CG2 4.47Å; V393-V397 HydrophobicContact CG1-CG2 4.46Å; V393-V397 WeakPolarHBondContact O-CG2 3.32Å; V393-V397 PolarHBondContact O-N 2.71Å; V397-I400 WeakPolarHBondContact O-CB 3.23Å; V397-I400 PolarHBondContact O-N 3.41Å; V397-M401 HydrophobicContact CG1-CE 4.23Å; V397-M401 WeakPolarHBondContact O-CG 3.34Å; V397-M401 PolarHBondContact O-N 3.05Å
398R97Very high95.6Very high56 Ų5645.1 Ų45.121%0.21122%0.215CC..Hα-helixtrans-58.4-48.9171.4-172.8-170.271.874.98.6111.9Y48 V394 N395 R396 I400 M401 E402 K748 A751 N752Y48-R398 PolarHBondContact OH-N 3.37Å; V394-R398 VanDerWaalsContact O-CB 3.24Å; V394-R398 WeakPolarHBondContact O-CB 3.44Å; V394-R398 PolarHBondContact O-N 2.95Å; N395-R398 WeakPolarHBondContact O-CB 3.4Å; N395-R398 PolarHBondContact O-N 2.92Å; R396-R398 VanDerWaalsContact C-N 3.29Å; R396-R398 PolarHBondContact O-N 3.38Å; R398-I400 VanDerWaalsContact C-N 3.3Å; R398-I400 PolarHBondContact O-N 3.13Å; R398-M401 PolarHBondContact O-N 3.02Å; R398-E402 IonicContact CZ-OE2 2.93Å; R398-E402 IonicContact NH1-OE1 2.7Å; R398-E402 IonicContact NH1-OE2 2.84Å; R398-E402 PolarHBondContact NH1-OE2 2.9Å; R398-E402 IonicContact NH2-OE2 3.53Å; R398-E402 WeakPolarHBondContact O-CB 3.36Å; R398-E402 PolarHBondContact O-N 3.2Å; R398-K748 HydrophobicContact CG-CG 4.31Å; R398-A751 HydrophobicContact CB-CB 3.63Å; R398-A751 HydrophobicContact CG-CB 3.81Å; R398-N752 WeakPolarHBondContact CD-OD1 3.4Å
399T96.3Very high95.7Very high59 Ų5943.4 Ų43.436%0.36221%0.209SC..Hα-helixtrans-61.8-39.5178.8-660000111.4N395 R396 E402 N403N395-T399 PolarHBondContact O-N 3.46Å; N395-T399 PolarHBondContact O-OG1 2.91Å; R396-T399 PolarHBondContact O-N 3.48Å; T399-E402 PolarHBondContact O-N 3.34Å; T399-N403 VanDerWaalsContact O-CG 3.26Å; T399-N403 PolarHBondContact O-N 3.41Å; T399-N403 PolarHBondContact O-OD1 3.02Å
400I94.9Very high95.8Very high13 Ų1346.9 Ų46.97%0.06723%0.226CC..Hα-helixtrans-58.2-50.7172.2-69.7168.8000110.6V73 E76 V77 R396 V397 R398 E402 N403 I404V73-I400 HydrophobicContact CG1-CG2 3.37Å; E76-I400 HydrophobicContact CG-CD1 4.25Å; V77-I400 HydrophobicContact CG2-CD1 3.86Å; V77-I400 HydrophobicContact CG2-CG2 4.47Å; R396-I400 WeakPolarHBondContact O-CG1 3.2Å; R396-I400 PolarHBondContact O-N 3.45Å; V397-I400 WeakPolarHBondContact O-CB 3.23Å; V397-I400 PolarHBondContact O-N 3.41Å; R398-I400 VanDerWaalsContact C-N 3.3Å; R398-I400 PolarHBondContact O-N 3.13Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 3.16Å; I400-N403 PolarHBondContact O-N 2.99Å; I400-I404 HydrophobicContact CG2-CD1 3.88Å; I400-I404 VanDerWaalsContact O-CG1 3.27Å; I400-I404 WeakPolarHBondContact O-CG1 3.47Å; I400-I404 PolarHBondContact O-N 3.01Å
401M96Very high95.7Very high0 Ų050.3 Ų50.30%024%0.242CC..Hα-helixtrans-65.8-31.8180-64.8-59.7157.100113S52 F55 T56 V397 R398 I404 Y405 L747 K748S52-M401 VanDerWaalsContact CB-CE 3.46Å; F55-M401 HydrophobicContact CD1-CE 4.09Å; F55-M401 HydrophobicContact CD1-SD 3.9Å; F55-M401 HydrophobicContact CE1-SD 3.93Å; T56-M401 HydrophobicContact CG2-CE 3.91Å; V397-M401 HydrophobicContact CG1-CE 4.23Å; V397-M401 WeakPolarHBondContact O-CG 3.34Å; V397-M401 PolarHBondContact O-N 3.05Å; R398-M401 PolarHBondContact O-N 3.02Å; M401-I404 HydrophobicContact SD-CD1 4.23Å; M401-Y405 VanDerWaalsContact O-CB 3.24Å; M401-Y405 WeakPolarHBondContact O-CB 3.33Å; M401-Y405 PolarHBondContact O-N 3.5Å; M401-L747 HydrophobicContact CE-CD1 3.93Å; M401-L747 HydrophobicContact CG-CB 3.86Å; M401-L747 HydrophobicContact SD-CB 3.99Å; M401-L747 HydrophobicContact SD-CD1 3.71Å; M401-K748 HydrophobicContact CB-CB 4.17Å
402E96.2Very high95.7Very high41 Ų4149.8 Ų49.819%0.19224%0.239CC..Hα-helixtrans-65.7-48.7174-175149.6-116.100111.5R398 T399 I400 I404 Y405 E406 K748R398-E402 IonicContact CZ-OE2 2.93Å; R398-E402 IonicContact NH1-OE1 2.7Å; R398-E402 IonicContact NH1-OE2 2.84Å; R398-E402 PolarHBondContact NH1-OE2 2.9Å; R398-E402 IonicContact NH2-OE2 3.53Å; R398-E402 WeakPolarHBondContact O-CB 3.36Å; R398-E402 PolarHBondContact O-N 3.2Å; T399-E402 PolarHBondContact O-N 3.34Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 3.16Å; E402-I404 VanDerWaalsContact C-N 3.33Å; E402-I404 PolarHBondContact O-N 3.39Å; E402-Y405 WeakPolarHBondContact O-CB 3.38Å; E402-Y405 PolarHBondContact O-N 3Å; E402-Y405 VanDerWaalsContact O-N 3.16Å; E402-E406 WeakPolarHBondContact O-CG 3.2Å; E402-E406 PolarHBondContact O-N 2.98Å; E402-K748 HydrophobicContact CB-CD 4Å; E402-K748 HydrophobicContact CG-CD 4.22Å; E402-K748 IonicContact OE1-NZ 2.69Å; E402-K748 PolarHBondContact OE1-NZ 2.8Å
403N94.7Very high95.7Very high87 Ų8749.7 Ų49.747%0.46524%0.239SC..Hα-helixtrans-60.9-42.4176.4-68.3-10.2000111.7T399 I400 E406 T407T399-N403 VanDerWaalsContact O-CG 3.26Å; T399-N403 PolarHBondContact O-N 3.41Å; T399-N403 PolarHBondContact O-OD1 3.02Å; I400-N403 PolarHBondContact O-N 2.99Å; N403-E406 PolarHBondContact O-N 2.86Å; N403-T407 WeakPolarHBondContact O-CB 3.44Å; N403-T407 PolarHBondContact O-N 2.98Å; N403-T407 PolarHBondContact O-OG1 3.22Å
404I94.5Very high95.7Very high2 Ų251 Ų511%0.0125%0.25CC..Hα-helixtrans-61.6-46.6175.3-65.6169.5000110.1F55 T56 I69 I400 M401 E402 T408 I740 A744F55-I404 HydrophobicContact CE1-CD1 4.3Å; F55-I404 HydrophobicContact CE1-CG2 4.28Å; F55-I404 HydrophobicContact CZ-CG2 4.42Å; T56-I404 HydrophobicContact CG2-CD1 4.16Å; I69-I404 HydrophobicContact CB-CG1 4.31Å; I69-I404 HydrophobicContact CG1-CD1 4.35Å; I69-I404 HydrophobicContact CG1-CG1 4.1Å; I69-I404 HydrophobicContact CG1-CG2 4.17Å; I69-I404 HydrophobicContact CG2-CD1 3.63Å; I69-I404 HydrophobicContact CG2-CG1 3.8Å; I400-I404 HydrophobicContact CG2-CD1 3.88Å; I400-I404 VanDerWaalsContact O-CG1 3.27Å; I400-I404 WeakPolarHBondContact O-CG1 3.47Å; I400-I404 PolarHBondContact O-N 3.01Å; M401-I404 HydrophobicContact SD-CD1 4.23Å; E402-I404 VanDerWaalsContact C-N 3.33Å; E402-I404 PolarHBondContact O-N 3.39Å; I404-T408 HydrophobicContact CG2-CG2 4.16Å; I404-T408 VanDerWaalsContact O-CB 3.29Å; I404-T408 WeakPolarHBondContact O-CB 3.42Å; I404-T408 WeakPolarHBondContact O-CG2 3.32Å; I404-T408 PolarHBondContact O-N 3.25Å; I404-T408 PolarHBondContact O-OG1 3.31Å; I404-I740 HydrophobicContact CG2-CG2 4.04Å; I404-A744 HydrophobicContact CB-CB 4.35Å; I404-A744 HydrophobicContact CG2-CB 3.89Å
405Y95.9Very high95.6Very high59 Ų5951.3 Ų51.323%0.23125%0.252CS..Hα-helixtrans-59.9-48.9178.8171.5-100.9000111.9M401 E402 T408 V409 T741 R745M401-Y405 VanDerWaalsContact O-CB 3.24Å; M401-Y405 WeakPolarHBondContact O-CB 3.33Å; M401-Y405 PolarHBondContact O-N 3.5Å; E402-Y405 WeakPolarHBondContact O-CB 3.38Å; E402-Y405 PolarHBondContact O-N 3Å; E402-Y405 VanDerWaalsContact O-N 3.16Å; Y405-T408 PolarHBondContact O-N 3.24Å; Y405-T408 PolarHBondContact O-OG1 3.01Å; Y405-V409 HydrophobicContact CD2-CG2 4.24Å; Y405-V409 HydrophobicContact CE1-CG2 4.31Å; Y405-V409 HydrophobicContact CE2-CG2 3.82Å; Y405-V409 WeakPolarHBondContact O-CB 3.37Å; Y405-V409 VanDerWaalsContact O-CG2 3.24Å; Y405-V409 WeakPolarHBondContact O-CG2 3.5Å; Y405-V409 PolarHBondContact O-N 3.47Å; Y405-T741 HydrophobicContact CD2-CG2 3.8Å; Y405-T741 HydrophobicContact CE2-CG2 3.62Å; Y405-R745 HydrophobicContact CD2-CB 3.82Å; Y405-R745 HydrophobicContact CD2-CG 4.48Å; Y405-R745 HydrophobicContact CE2-CB 3.89Å; Y405-R745 HydrophobicContact CE2-CG 4.19Å
406E95.6Very high95.7Very high97 Ų9750.2 Ų50.245%0.45325%0.248SC..Hα-helixtrans-62.8-49.4-179.6-71.2175.8-177.400111.4E402 N403 T408 V409 E410E402-E406 WeakPolarHBondContact O-CG 3.2Å; E402-E406 PolarHBondContact O-N 2.98Å; N403-E406 PolarHBondContact O-N 2.86Å; E406-T408 VanDerWaalsContact C-N 3.33Å; E406-T408 PolarHBondContact O-N 3.13Å; E406-V409 PolarHBondContact O-N 3.43Å; E406-E410 WeakPolarHBondContact O-CG 3.35Å; E406-E410 PolarHBondContact O-N 2.68Å
407T94.2Very high95.7Very high52 Ų5250.1 Ų50.132%0.31925%0.247SC..Hα-helixtrans-62.8-39.8-179.5-48.80000111.9L68 N403 E410 E411L68-T407 HydrophobicContact CD1-CG2 3.65Å; L68-T407 HydrophobicContact CG-CG2 3.94Å; N403-T407 WeakPolarHBondContact O-CB 3.44Å; N403-T407 PolarHBondContact O-N 2.98Å; N403-T407 PolarHBondContact O-OG1 3.22Å; T407-E410 PolarHBondContact O-N 3.25Å; T407-E411 WeakPolarHBondContact O-CB 3.32Å; T407-E411 PolarHBondContact O-N 2.85Å
408T94.3Very high95.8Very high1 Ų153.1 Ų53.11%0.00627%0.268CS..Hα-helixtrans-72.2-33179.6520000112.8L68 I404 Y405 E406 K412 L737 I740 T741L68-T408 HydrophobicContact CD2-CG2 3.61Å; I404-T408 HydrophobicContact CG2-CG2 4.16Å; I404-T408 VanDerWaalsContact O-CB 3.29Å; I404-T408 WeakPolarHBondContact O-CB 3.42Å; I404-T408 WeakPolarHBondContact O-CG2 3.32Å; I404-T408 PolarHBondContact O-N 3.25Å; I404-T408 PolarHBondContact O-OG1 3.31Å; Y405-T408 PolarHBondContact O-N 3.24Å; Y405-T408 PolarHBondContact O-OG1 3.01Å; E406-T408 VanDerWaalsContact C-N 3.33Å; E406-T408 PolarHBondContact O-N 3.13Å; T408-K412 WeakPolarHBondContact O-CB 3.42Å; T408-K412 PolarHBondContact O-N 3.45Å; T408-L737 HydrophobicContact CG2-CD2 4.41Å; T408-I740 HydrophobicContact CG2-CB 4.29Å; T408-I740 HydrophobicContact CG2-CG2 3.64Å; T408-T741 PolarHBondContact OG1-OG1 2.69Å
409V96.3Very high95.8Very high39 Ų3954.1 Ų54.124%0.23627%0.272CS..Hα-helixtrans-63.7-47.4171.8168.20000110.7Y405 E406 K412 D413 T741Y405-V409 HydrophobicContact CD2-CG2 4.24Å; Y405-V409 HydrophobicContact CE1-CG2 4.31Å; Y405-V409 HydrophobicContact CE2-CG2 3.82Å; Y405-V409 WeakPolarHBondContact O-CB 3.37Å; Y405-V409 VanDerWaalsContact O-CG2 3.24Å; Y405-V409 WeakPolarHBondContact O-CG2 3.5Å; Y405-V409 PolarHBondContact O-N 3.47Å; E406-V409 PolarHBondContact O-N 3.43Å; V409-K412 PolarHBondContact O-N 2.94Å; V409-D413 PolarHBondContact O-N 3.35Å; V409-T741 HydrophobicContact CG2-CG2 3.61Å
410E95.6Very high95.8Very high140 Ų14059.5 Ų59.565%0.65429%0.285SS*.Hα-helixtrans-61.9-46.7179.4-71.1-177.7176.800112.2E406 T407 K412 D413 A414E406-E410 WeakPolarHBondContact O-CG 3.35Å; E406-E410 PolarHBondContact O-N 2.68Å; T407-E410 PolarHBondContact O-N 3.25Å; E410-K412 VanDerWaalsContact C-N 3.34Å; E410-K412 PolarHBondContact O-N 3.35Å; E410-D413 PolarHBondContact O-N 3.38Å; E410-A414 PolarHBondContact O-N 2.88Å
411E94.1Very high95.9Very high72 Ų7264.8 Ų64.834%0.33631%0.313SS..Hα-helixtrans-66.2-37.4178.6-171.865-171.400111.4L68 T407 A414 A415 L737L68-E411 HydrophobicContact CD1-CB 4.03Å; L68-E411 HydrophobicContact CD1-CG 4.02Å; T407-E411 WeakPolarHBondContact O-CB 3.32Å; T407-E411 PolarHBondContact O-N 2.85Å; E411-A414 PolarHBondContact O-N 3.42Å; E411-A415 WeakPolarHBondContact O-CB 3.39Å; E411-A415 PolarHBondContact O-N 2.92Å; E411-L737 HydrophobicContact CB-CD1 4.39Å; E411-L737 HydrophobicContact CB-CD2 4.25Å; E411-L737 HydrophobicContact CG-CD1 3.94Å; E411-L737 HydrophobicContact CG-CD2 4.12Å
412K95.4Very high95.8Very high45 Ų4565.4 Ų65.420%0.19632%0.317CS..Hα-helixtrans-62.8-45.8174.2-171.2-179.668.8154.70111.2T408 V409 E410 A414 A415 V416 I734 L737 D738T408-K412 WeakPolarHBondContact O-CB 3.42Å; T408-K412 PolarHBondContact O-N 3.45Å; V409-K412 PolarHBondContact O-N 2.94Å; E410-K412 VanDerWaalsContact C-N 3.34Å; E410-K412 PolarHBondContact O-N 3.35Å; K412-A414 VanDerWaalsContact C-N 3.28Å; K412-A414 PolarHBondContact O-N 2.75Å; K412-A415 PolarHBondContact O-N 3.18Å; K412-V416 HydrophobicContact CG-CG2 4.47Å; K412-V416 VanDerWaalsContact O-CG2 3.29Å; K412-V416 WeakPolarHBondContact O-CG2 3.27Å; K412-V416 PolarHBondContact O-N 3.28Å; K412-I734 HydrophobicContact CG-CG2 4.46Å; K412-L737 HydrophobicContact CB-CB 4.05Å; K412-L737 HydrophobicContact CB-CD1 4.34Å; K412-L737 HydrophobicContact CG-CB 4.24Å; K412-D738 HydrophobicContact CD-CB 4.12Å; K412-D738 IonicContact NZ-OD1 3.1Å; K412-D738 PolarHBondContact NZ-OD1 3.08Å
413D96.8Very high95.9Very high80 Ų8065.9 Ų65.943%0.42832%0.32SS..Hα-helixtrans-63.4-36.2178.1-79-8.8000111.6V409 E410 R417V409-D413 PolarHBondContact O-N 3.35Å; E410-D413 PolarHBondContact O-N 3.38Å; D413-R417 WeakPolarHBondContact O-CG 3.46Å; D413-R417 PolarHBondContact O-N 3.03Å; D413-R417 VanDerWaalsContact O-N 3.13Å; D413-R417 PolarHBondContact O-NH1 3.42Å
414A96.1Very high96Very high27 Ų2764.3 Ų64.322%0.22332%0.318CS..Hα-helixtrans-64-49.1171.900000112.1E410 E411 K412 V416 R417 C418E410-A414 PolarHBondContact O-N 2.88Å; E411-A414 PolarHBondContact O-N 3.42Å; K412-A414 VanDerWaalsContact C-N 3.28Å; K412-A414 PolarHBondContact O-N 2.75Å; A414-V416 VanDerWaalsContact C-N 3.34Å; A414-V416 PolarHBondContact O-N 3.08Å; A414-R417 WeakPolarHBondContact O-CB 3.46Å; A414-R417 PolarHBondContact O-N 3.3Å; A414-R417 VanDerWaalsContact O-N 3.11Å; A414-C418 PolarHBondContact O-N 3.45Å; A414-C418 PolarHBondContact O-SG 3.45Å
415A95.7Very high96Very high7 Ų766.4 Ų66.46%0.05833%0.328CS..Hα-helixtrans-59.9-41.7177.900000112.2E411 K412 R417 C418 R419 I734 L737E411-A415 WeakPolarHBondContact O-CB 3.39Å; E411-A415 PolarHBondContact O-N 2.92Å; K412-A415 PolarHBondContact O-N 3.18Å; A415-R417 VanDerWaalsContact C-N 3.34Å; A415-R417 PolarHBondContact O-N 3.42Å; A415-C418 PolarHBondContact O-N 3.06Å; A415-R419 WeakPolarHBondContact O-CB 3.27Å; A415-R419 PolarHBondContact O-N 3.23Å; A415-I734 HydrophobicContact CB-CD1 4.45Å; A415-I734 HydrophobicContact CB-CG1 3.76Å; A415-L737 HydrophobicContact CB-CD1 4.27Å
416V97.7Very high96Very high37 Ų3763.8 Ų63.822%0.22432%0.318CS..Hα-helixtrans-61.7-40.2175170.30000111.6K412 A414 R420 I734K412-V416 HydrophobicContact CG-CG2 4.47Å; K412-V416 VanDerWaalsContact O-CG2 3.29Å; K412-V416 WeakPolarHBondContact O-CG2 3.27Å; K412-V416 PolarHBondContact O-N 3.28Å; A414-V416 VanDerWaalsContact C-N 3.34Å; A414-V416 PolarHBondContact O-N 3.08Å; V416-R420 WeakPolarHBondContact O-CG 3.31Å; V416-R420 PolarHBondContact O-N 3.25Å; V416-R420 VanDerWaalsContact O-N 3.11Å; V416-I734 HydrophobicContact CB-CD1 4.46Å; V416-I734 HydrophobicContact CG2-CD1 3.84Å; V416-I734 HydrophobicContact CG2-CG1 4.04Å; V416-I734 HydrophobicContact CG2-CG2 4.17Å
417R97.4Very high96Very high138 Ų13864.6 Ų64.652%0.52132%0.322SS..Hα-helixtrans-65.7-47.9175.3-73.3-173-57.9-91.84.9111.5D413 A414 A415 R419 R420 L421D413-R417 WeakPolarHBondContact O-CG 3.46Å; D413-R417 PolarHBondContact O-N 3.03Å; D413-R417 VanDerWaalsContact O-N 3.13Å; D413-R417 PolarHBondContact O-NH1 3.42Å; A414-R417 WeakPolarHBondContact O-CB 3.46Å; A414-R417 PolarHBondContact O-N 3.3Å; A414-R417 VanDerWaalsContact O-N 3.11Å; A415-R417 VanDerWaalsContact C-N 3.34Å; A415-R417 PolarHBondContact O-N 3.42Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 3.3Å; R417-R420 PolarHBondContact O-N 3.21Å; R417-L421 WeakPolarHBondContact O-CG 2.86Å; R417-L421 PolarHBondContact O-N 3.35Å; R417-L421 VanDerWaalsContact O-N 3.08Å
418C96.5Very high96.1Very high63 Ų6366 Ų6643%0.42633%0.325SS..Hα-helixtrans-56.8-47.3176.2-70.90000111.1A414 A415 R420 L421 S422 L730A414-C418 PolarHBondContact O-N 3.45Å; A414-C418 PolarHBondContact O-SG 3.45Å; A415-C418 PolarHBondContact O-N 3.06Å; C418-R420 VanDerWaalsContact C-N 3.32Å; C418-R420 PolarHBondContact O-N 2.88Å; C418-L421 WeakPolarHBondContact O-CB 3.4Å; C418-L421 PolarHBondContact O-N 3.25Å; C418-S422 PolarHBondContact O-N 3.28Å; C418-S422 PolarHBondContact O-OG 3.01Å; C418-L730 HydrophobicContact CB-CD1 4.26Å; C418-L730 HydrophobicContact CB-CD2 4.2Å
419R97.5Very high96.1Very high78 Ų7866 Ų6629%0.29433%0.325SS..Hα-helixtrans-55.8-44.4176.7-173-148.3-179.2-97.7-4.2112.4A415 R417 L421 Q423 V727 L730 D731 I734A415-R419 WeakPolarHBondContact O-CB 3.27Å; A415-R419 PolarHBondContact O-N 3.23Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 3.3Å; R419-L421 VanDerWaalsContact C-N 3.34Å; R419-Q423 WeakPolarHBondContact O-CB 3.39Å; R419-Q423 PolarHBondContact O-N 3.3Å; R419-V727 HydrophobicContact CG-CG1 4.47Å; R419-L730 HydrophobicContact CB-CB 4.04Å; R419-L730 HydrophobicContact CB-CD1 4.24Å; R419-L730 HydrophobicContact CG-CB 4.23Å; R419-D731 WeakPolarHBondContact CD-OD1 3.33Å; R419-D731 IonicContact CZ-OD1 3.44Å; R419-D731 IonicContact CZ-OD2 3.85Å; R419-D731 VanDerWaalsContact NE-CG 3.35Å; R419-D731 IonicContact NE-OD1 3.88Å; R419-D731 PolarHBondContact NE-OD1 2.85Å; R419-D731 IonicContact NE-OD2 3.54Å; R419-D731 PolarHBondContact NE-OD2 3.38Å; R419-D731 IonicContact NH2-OD1 2.81Å; R419-D731 PolarHBondContact NH2-OD1 3.15Å; R419-D731 IonicContact NH2-OD2 2.72Å; R419-D731 PolarHBondContact NH2-OD2 3.4Å; R419-I734 HydrophobicContact CB-CD1 4Å; R419-I734 HydrophobicContact CG-CD1 4.29Å
420R97.3Very high96.1Very high171 Ų17170 Ų7065%0.64534%0.336SS*.Hα-helixtrans-62.8-40.6177.2-74.3177.9-173.8170.24.3112V416 R417 C418 A424V416-R420 WeakPolarHBondContact O-CG 3.31Å; V416-R420 PolarHBondContact O-N 3.25Å; V416-R420 VanDerWaalsContact O-N 3.11Å; R417-R420 PolarHBondContact O-N 3.21Å; C418-R420 VanDerWaalsContact C-N 3.32Å; C418-R420 PolarHBondContact O-N 2.88Å; R420-A424 WeakPolarHBondContact O-CB 3.43Å; R420-A424 PolarHBondContact O-N 3.04Å
421L96.4Very high96.1Very high125 Ų12565.8 Ų65.865%0.65432%0.324SS*.Hα-helixtrans-67.1-47.8177.8-68172.3000111.5R417 C418 R419 Q423 A424 H425R417-L421 WeakPolarHBondContact O-CG 2.86Å; R417-L421 PolarHBondContact O-N 3.35Å; R417-L421 VanDerWaalsContact O-N 3.08Å; C418-L421 WeakPolarHBondContact O-CB 3.4Å; C418-L421 PolarHBondContact O-N 3.25Å; R419-L421 VanDerWaalsContact C-N 3.34Å; L421-Q423 VanDerWaalsContact C-N 3.35Å; L421-Q423 PolarHBondContact O-N 3.18Å; L421-A424 PolarHBondContact O-N 3.47Å; L421-H425 WeakPolarHBondContact O-CB 3.49Å; L421-H425 PolarHBondContact O-N 3.41Å
422S94.7Very high96.1Very high13 Ų1367.6 Ų67.69%0.09133%0.328CS..Hα-helixtrans-65.4-38179.4-49.60000111.6C418 H425 L426 E726C418-S422 PolarHBondContact O-N 3.28Å; C418-S422 PolarHBondContact O-OG 3.01Å; S422-H425 PolarHBondContact O-N 3.3Å; S422-L426 WeakPolarHBondContact O-CB 3.36Å; S422-L426 PolarHBondContact O-N 3.23Å; S422-E726 WeakPolarHBondContact CB-OE1 3.44Å; S422-E726 PolarHBondContact OG-OE1 2.96Å
423Q97Very high96.1Very high51 Ų5166.4 Ų66.424%0.23832%0.324CS..Hα-helixtrans-63.2-45.9173179.963.928.200112.2R419 L421 H425 L426 E427 V727R419-Q423 WeakPolarHBondContact O-CB 3.39Å; R419-Q423 PolarHBondContact O-N 3.3Å; L421-Q423 VanDerWaalsContact C-N 3.35Å; L421-Q423 PolarHBondContact O-N 3.18Å; Q423-H425 VanDerWaalsContact C-N 3.29Å; Q423-H425 PolarHBondContact O-N 3.16Å; Q423-L426 WeakPolarHBondContact O-CB 3.5Å; Q423-L426 PolarHBondContact O-N 3.37Å; Q423-E427 PolarHBondContact NE2-OE1 3.4Å; Q423-E427 WeakPolarHBondContact O-CG 3.28Å; Q423-E427 PolarHBondContact O-N 2.91Å; Q423-V727 HydrophobicContact CB-CG2 4.39Å
424A96.5Very high96.1Very high53 Ų5369.6 Ų69.644%0.43834%0.338SS..Hα-helixtrans-62.7-39176.800000111.5R420 L421 E427 E428R420-A424 WeakPolarHBondContact O-CB 3.43Å; R420-A424 PolarHBondContact O-N 3.04Å; L421-A424 PolarHBondContact O-N 3.47Å; A424-E427 PolarHBondContact O-N 3.33Å; A424-E428 WeakPolarHBondContact O-CB 3.21Å; A424-E428 PolarHBondContact O-N 2.91Å
425H95.2Very high96Very high46 Ų4675.8 Ų75.821%0.21336%0.36CS..Hα-helixtrans-64.6-42.4175.9-170.144.9000112L421 S422 Q423 E427 E428 V429 S531 F719 L723L421-H425 WeakPolarHBondContact O-CB 3.49Å; L421-H425 PolarHBondContact O-N 3.41Å; S422-H425 PolarHBondContact O-N 3.3Å; Q423-H425 VanDerWaalsContact C-N 3.29Å; Q423-H425 PolarHBondContact O-N 3.16Å; H425-E427 PolarHBondContact O-N 2.99Å; H425-E428 IonicContact ND1-OE2 3.67Å; H425-E428 PolarHBondContact O-N 3.35Å; H425-V429 VanDerWaalsContact O-CG2 3.31Å; H425-V429 WeakPolarHBondContact O-CG2 3.48Å; H425-V429 PolarHBondContact O-N 2.89Å; H425-S531 PolarHBondContact CE1-OG 3.25Å; H425-S531 PolarHBondContact NE2-OG 3.17Å; H425-F719 AromaticContact NE2-CE1 3.93Å; H425-F719 AromaticContact NE2-CZ 3.91Å; H425-L723 VanDerWaalsContact CD2-CD1 3.49Å; H425-L723 WeakPolarHBondContact CD2-CD1 3.43Å
426L95.9Very high96Very high4 Ų476.5 Ų76.52%0.02136%0.364CS..Hα-helixtrans-59.5-46.5174.9174.763.9000112.1S422 Q423 E428 V429 R430 S720 L723 V724S422-L426 WeakPolarHBondContact O-CB 3.36Å; S422-L426 PolarHBondContact O-N 3.23Å; Q423-L426 WeakPolarHBondContact O-CB 3.5Å; Q423-L426 PolarHBondContact O-N 3.37Å; L426-E428 VanDerWaalsContact C-N 3.34Å; L426-E428 PolarHBondContact O-N 3.36Å; L426-V429 PolarHBondContact O-N 3.39Å; L426-R430 HydrophobicContact CD1-CG 4.32Å; L426-R430 WeakPolarHBondContact O-CB 3.41Å; L426-R430 WeakPolarHBondContact O-CG 3.35Å; L426-R430 PolarHBondContact O-N 3.32Å; L426-S720 WeakPolarHBondContact CD1-O 3.43Å; L426-S720 WeakPolarHBondContact CD1-OG 3.43Å; L426-L723 HydrophobicContact CB-CB 4.28Å; L426-L723 HydrophobicContact CB-CD1 4.48Å; L426-L723 HydrophobicContact CD1-CB 4.07Å; L426-V724 HydrophobicContact CD1-CG2 3.88Å; L426-V724 HydrophobicContact CD2-CG2 3.68Å; L426-V724 HydrophobicContact CG-CG2 4.45Å
427E96.3Very high95.8Very high114 Ų11476.8 Ų76.853%0.53337%0.366SS..Hα-helixtrans-62.6-41.4177.6-73.6173.1-166.600111.7Q423 A424 H425 A431Q423-E427 PolarHBondContact NE2-OE1 3.4Å; Q423-E427 WeakPolarHBondContact O-CG 3.28Å; Q423-E427 PolarHBondContact O-N 2.91Å; A424-E427 PolarHBondContact O-N 3.33Å; H425-E427 PolarHBondContact O-N 2.99Å; E427-A431 VanDerWaalsContact O-CB 3.32Å; E427-A431 WeakPolarHBondContact O-CB 3.37Å; E427-A431 PolarHBondContact O-N 3.46Å
428E95.5Very high95.7Very high83 Ų8376 Ų7639%0.38837%0.367SS..Hα-helixtrans-61.8-48.8175.4179.1176.4-156.800112.1A424 H425 L426 R430 A431 R432A424-E428 WeakPolarHBondContact O-CB 3.21Å; A424-E428 PolarHBondContact O-N 2.91Å; H425-E428 IonicContact ND1-OE2 3.67Å; H425-E428 PolarHBondContact O-N 3.35Å; L426-E428 VanDerWaalsContact C-N 3.34Å; L426-E428 PolarHBondContact O-N 3.36Å; E428-R430 PolarHBondContact O-N 2.86Å; E428-A431 PolarHBondContact O-N 3.03Å; E428-R432 HydrophobicContact CG-CG 4.41Å; E428-R432 WeakPolarHBondContact O-CB 3.07Å; E428-R432 WeakPolarHBondContact O-CG 3.42Å; E428-R432 PolarHBondContact O-N 3.4Å; E428-R432 IonicContact OE1-CZ 2.65Å; E428-R432 IonicContact OE1-NE 3.37Å; E428-R432 PolarHBondContact OE1-NE 2.93Å; E428-R432 VanDerWaalsContact OE1-NE 3.12Å; E428-R432 IonicContact OE1-NH2 2.71Å; E428-R432 PolarHBondContact OE1-NH2 3.14Å
429V95.2Very high95.6Very high1 Ų174.5 Ų74.51%0.00636%0.36CS..Hα-helixtrans-59.8-46.6179.2167.50000110.5H425 L426 A431 R432 L433 I529 V716 F719 L723H425-V429 VanDerWaalsContact O-CG2 3.31Å; H425-V429 WeakPolarHBondContact O-CG2 3.48Å; H425-V429 PolarHBondContact O-N 2.89Å; L426-V429 PolarHBondContact O-N 3.39Å; V429-A431 PolarHBondContact O-N 3.43Å; V429-R432 PolarHBondContact O-N 3.49Å; V429-L433 WeakPolarHBondContact O-CB 3.36Å; V429-L433 PolarHBondContact O-N 3.06Å; V429-I529 HydrophobicContact CG1-CG2 4.05Å; V429-V716 HydrophobicContact CG1-CG1 4.38Å; V429-F719 HydrophobicContact CG1-CD1 4.3Å; V429-F719 HydrophobicContact CG2-CE1 4.07Å; V429-L723 HydrophobicContact CG2-CD1 4.27Å
430R95.2Very high95.4Very high123 Ų12370.8 Ų70.846%0.46435%0.346SS..Hα-helixtrans-62.7-42.9177.8-74.6176.7171.9177.4-3.6112.4L426 E428 L433 M434 S720L426-R430 HydrophobicContact CD1-CG 4.32Å; L426-R430 WeakPolarHBondContact O-CB 3.41Å; L426-R430 WeakPolarHBondContact O-CG 3.35Å; L426-R430 PolarHBondContact O-N 3.32Å; E428-R430 PolarHBondContact O-N 2.86Å; R430-L433 PolarHBondContact O-N 3.06Å; R430-M434 PolarHBondContact O-N 3.03Å; R430-S720 PolarHBondContact NE-OG 3.21Å
431A95.5Very high95.2Very high50 Ų5065.6 Ų65.641%0.41333%0.331SS..Hα-helixtrans-65.2-40.7177.400000112.1E427 E428 V429 K435E427-A431 VanDerWaalsContact O-CB 3.32Å; E427-A431 WeakPolarHBondContact O-CB 3.37Å; E427-A431 PolarHBondContact O-N 3.46Å; E428-A431 PolarHBondContact O-N 3.03Å; V429-A431 PolarHBondContact O-N 3.43Å; A431-K435 WeakPolarHBondContact O-CG 3.31Å; A431-K435 PolarHBondContact O-N 2.82Å
432R95.3Very high95.1Very high111 Ų11165.6 Ų65.642%0.41933%0.328SS..Hα-helixtrans-67.2-38.6175.6-74.6178.4-179.2-152.22.4112E428 V429 T436 I529E428-R432 HydrophobicContact CG-CG 4.41Å; E428-R432 WeakPolarHBondContact O-CB 3.07Å; E428-R432 WeakPolarHBondContact O-CG 3.42Å; E428-R432 PolarHBondContact O-N 3.4Å; E428-R432 IonicContact OE1-CZ 2.65Å; E428-R432 IonicContact OE1-NE 3.37Å; E428-R432 PolarHBondContact OE1-NE 2.93Å; E428-R432 VanDerWaalsContact OE1-NE 3.12Å; E428-R432 IonicContact OE1-NH2 2.71Å; E428-R432 PolarHBondContact OE1-NH2 3.14Å; V429-R432 PolarHBondContact O-N 3.49Å; R432-T436 VanDerWaalsContact O-CB 3.29Å; R432-T436 WeakPolarHBondContact O-CB 3.31Å; R432-T436 PolarHBondContact O-N 3.33Å; R432-T436 PolarHBondContact O-OG1 3.49Å; R432-I529 HydrophobicContact CB-CG1 4.33Å; R432-I529 HydrophobicContact CB-CG2 3.88Å
433L95.2Very high95Very high19 Ų1966.3 Ų66.310%0.09933%0.33CS..Hα-helixtrans-61-50.7174.2179.660.9000111V429 R430 K435 T436 T437 I529 V716 E717V429-L433 WeakPolarHBondContact O-CB 3.36Å; V429-L433 PolarHBondContact O-N 3.06Å; R430-L433 PolarHBondContact O-N 3.06Å; L433-K435 VanDerWaalsContact C-N 3.34Å; L433-K435 PolarHBondContact O-N 3.39Å; L433-T436 PolarHBondContact O-N 2.82Å; L433-T437 PolarHBondContact O-N 2.93Å; L433-T437 PolarHBondContact O-OG1 3.36Å; L433-T437 VanDerWaalsContact O-OG1 3.06Å; L433-I529 HydrophobicContact CB-CD1 4.34Å; L433-I529 HydrophobicContact CD1-CD1 3.95Å; L433-V716 HydrophobicContact CB-CG1 4.45Å; L433-V716 HydrophobicContact CD1-CB 4.17Å; L433-V716 HydrophobicContact CD1-CG1 3.99Å; L433-V716 HydrophobicContact CD2-CG1 4.25Å; L433-V716 HydrophobicContact CG-CG1 4.46Å; L433-E717 HydrophobicContact CD2-CG 3.87Å
434M95.2Very high94.9Very high147 Ų14764 Ų6472%0.72432%0.319SS*.Hα-helixtrans-56.8-45.8178.7-172.4-178.3-179.700112.5R430 T436 Q438R430-M434 PolarHBondContact O-N 3.03Å; M434-T436 VanDerWaalsContact C-N 3.34Å; M434-T436 PolarHBondContact O-N 3.41Å; M434-Q438 PolarHBondContact O-N 2.96Å
435K95.3Very high94.8Very high157 Ų15767.8 Ų67.868%0.68333%0.328SS*.Hα-helixtrans-63.9-38.4175.9-72.9-180-178178.20112.5A431 L433 A439A431-K435 WeakPolarHBondContact O-CG 3.31Å; A431-K435 PolarHBondContact O-N 2.82Å; L433-K435 VanDerWaalsContact C-N 3.34Å; L433-K435 PolarHBondContact O-N 3.39Å; K435-A439 PolarHBondContact O-N 3.48Å; K435-A439 VanDerWaalsContact O-N 3.1Å
436T94.8Very high94.7Very high23 Ų2368 Ų6814%0.14134%0.337CS..Hα-helixtrans-70.3-42.8-179-61.10000111.5R432 L433 M434 Q438 A439 V440 K525 I529R432-T436 VanDerWaalsContact O-CB 3.29Å; R432-T436 WeakPolarHBondContact O-CB 3.31Å; R432-T436 PolarHBondContact O-N 3.33Å; R432-T436 PolarHBondContact O-OG1 3.49Å; L433-T436 PolarHBondContact O-N 2.82Å; M434-T436 VanDerWaalsContact C-N 3.34Å; M434-T436 PolarHBondContact O-N 3.41Å; T436-Q438 VanDerWaalsContact C-N 3.33Å; T436-Q438 PolarHBondContact O-N 2.93Å; T436-A439 PolarHBondContact O-N 2.93Å; T436-V440 HydrophobicContact CG2-CG2 4.2Å; T436-V440 WeakPolarHBondContact O-CB 3.13Å; T436-V440 VanDerWaalsContact O-CG2 3.3Å; T436-V440 WeakPolarHBondContact O-CG2 3.38Å; T436-V440 PolarHBondContact O-N 2.95Å; T436-K525 HydrophobicContact CG2-CB 3.81Å; T436-I529 HydrophobicContact CG2-CD1 3.98Å
437T94.6Very high94.5Very high43 Ų4367.8 Ų67.826%0.26434%0.336SS..Hα-helixtrans-55.4-48.3174-59.20000110.9L433 A439 V440 D441L433-T437 PolarHBondContact O-N 2.93Å; L433-T437 PolarHBondContact O-OG1 3.36Å; L433-T437 VanDerWaalsContact O-OG1 3.06Å; T437-A439 PolarHBondContact O-N 3.38Å; T437-V440 PolarHBondContact O-N 3.37Å; T437-D441 PolarHBondContact O-N 2.9Å
438Q94.2Very high94.5Very high120 Ų12062.9 Ų62.956%0.56131%0.313SS*.Hα-helixtrans-60.9-45.2177.3-172.9179.2-1.400112.5M434 T436 V440 D441 E442M434-Q438 PolarHBondContact O-N 2.96Å; T436-Q438 VanDerWaalsContact C-N 3.33Å; T436-Q438 PolarHBondContact O-N 2.93Å; Q438-V440 VanDerWaalsContact C-N 3.3Å; Q438-V440 PolarHBondContact O-N 3.32Å; Q438-D441 PolarHBondContact O-N 3.15Å; Q438-E442 PolarHBondContact O-N 3.35Å
439A94.1Very high94.4Very high33 Ų3361.6 Ų61.627%0.27332%0.317SS..Hα-helixtrans-66.4-32.2178.600000112.8K435 T436 T437 M443K435-A439 PolarHBondContact O-N 3.48Å; K435-A439 VanDerWaalsContact O-N 3.1Å; T436-A439 PolarHBondContact O-N 2.93Å; T437-A439 PolarHBondContact O-N 3.38Å; A439-M443 WeakPolarHBondContact O-CB 3.5Å; A439-M443 PolarHBondContact O-N 3.27Å
440V94.1Very high94.2Very high0 Ų066.5 Ų66.50%034%0.335CS..Hα-helixtrans-71.2-42.4175.6167.20000110.5T436 T437 Q438 E442 M443 L444 M522 K525 H709T436-V440 HydrophobicContact CG2-CG2 4.2Å; T436-V440 WeakPolarHBondContact O-CB 3.13Å; T436-V440 VanDerWaalsContact O-CG2 3.3Å; T436-V440 WeakPolarHBondContact O-CG2 3.38Å; T436-V440 PolarHBondContact O-N 2.95Å; T437-V440 PolarHBondContact O-N 3.37Å; Q438-V440 VanDerWaalsContact C-N 3.3Å; Q438-V440 PolarHBondContact O-N 3.32Å; V440-E442 VanDerWaalsContact C-N 3.35Å; V440-E442 PolarHBondContact O-N 3Å; V440-M443 HydrophobicContact CG2-CE 4.37Å; V440-M443 WeakPolarHBondContact O-CB 3.48Å; V440-M443 PolarHBondContact O-N 3.02Å; V440-M443 VanDerWaalsContact O-N 3.15Å; V440-L444 HydrophobicContact CG1-CD1 4Å; V440-L444 HydrophobicContact CG1-CG 4.14Å; V440-L444 WeakPolarHBondContact O-CB 3.25Å; V440-L444 VanDerWaalsContact O-CG 3.27Å; V440-L444 WeakPolarHBondContact O-CG 3.31Å; V440-L444 PolarHBondContact O-N 2.97Å; V440-M522 HydrophobicContact CG1-CG 3.68Å; V440-M522 HydrophobicContact CG1-SD 3.6Å; V440-M522 VanDerWaalsContact CG1-SD 3.6Å; V440-M522 HydrophobicContact CG2-CG 4.18Å; V440-K525 HydrophobicContact CG2-CD 4.09Å; V440-H709 HydrophobicContact CG1-CB 4.44Å
441D93.5Very high94.1Very high61 Ų6160.6 Ų60.633%0.32631%0.313SS..Hα-helixtrans-59.4-42.6176-80-29.2000112.5T437 Q438 M443 L444 H445T437-D441 PolarHBondContact O-N 2.9Å; Q438-D441 PolarHBondContact O-N 3.15Å; D441-M443 PolarHBondContact O-N 3.43Å; D441-L444 PolarHBondContact O-N 3.22Å; D441-H445 PolarHBondContact O-CD2 3.42Å; D441-H445 VanDerWaalsContact O-CD2 3.23Å; D441-H445 PolarHBondContact O-N 3.47Å
442E93.8Very high94Very high125 Ų12560.7 Ų60.758%0.58431%0.305SS*.Hα-helixtrans-61.8-43.4174.4-71.2176.3-173.400111.9Q438 V440 H445 A446Q438-E442 PolarHBondContact O-N 3.35Å; V440-E442 VanDerWaalsContact C-N 3.35Å; V440-E442 PolarHBondContact O-N 3Å; E442-H445 PolarHBondContact O-N 3.47Å; E442-A446 PolarHBondContact O-N 2.93Å; E442-A446 VanDerWaalsContact O-N 3.14Å
443M93.7Very high93.8Very high28 Ų2858.3 Ų58.314%0.13831%0.309CS..Hα-helixtrans-64.7-40.1177.1-178.7178.666.600112.1A439 V440 D441 A446 S447 L521 M522A439-M443 WeakPolarHBondContact O-CB 3.5Å; A439-M443 PolarHBondContact O-N 3.27Å; V440-M443 HydrophobicContact CG2-CE 4.37Å; V440-M443 WeakPolarHBondContact O-CB 3.48Å; V440-M443 PolarHBondContact O-N 3.02Å; V440-M443 VanDerWaalsContact O-N 3.15Å; D441-M443 PolarHBondContact O-N 3.43Å; M443-A446 PolarHBondContact O-N 2.7Å; M443-S447 WeakPolarHBondContact O-CB 3.48Å; M443-S447 PolarHBondContact O-N 3.48Å; M443-L521 HydrophobicContact CE-CB 3.9Å; M443-L521 HydrophobicContact SD-CB 3.58Å; M443-L521 VanDerWaalsContact SD-CB 3.58Å; M443-L521 HydrophobicContact SD-CD1 3.7Å; M443-L521 HydrophobicContact SD-CG 4.28Å; M443-M522 HydrophobicContact CE-CB 4.49Å; M443-M522 HydrophobicContact CE-CG 3.47Å; M443-M522 VanDerWaalsContact CE-CG 3.47Å
444L94Very high93.6Very high4 Ų460.1 Ų60.12%0.02132%0.317CS..Hα-helixtrans-60.3-48.9175.2-74.4176.1000110.4V440 D441 A446 S447 L448 M522 L705V440-L444 HydrophobicContact CG1-CD1 4Å; V440-L444 HydrophobicContact CG1-CG 4.14Å; V440-L444 WeakPolarHBondContact O-CB 3.25Å; V440-L444 VanDerWaalsContact O-CG 3.27Å; V440-L444 WeakPolarHBondContact O-CG 3.31Å; V440-L444 PolarHBondContact O-N 2.97Å; D441-L444 PolarHBondContact O-N 3.22Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 2.77Å; L444-S447 PolarHBondContact O-N 3.32Å; L444-L448 WeakPolarHBondContact O-CB 3.27Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 3.47Å; L444-M522 HydrophobicContact CD2-CE 4.48Å; L444-M522 HydrophobicContact CD2-SD 4Å; L444-M522 HydrophobicContact CG-SD 4.47Å; L444-L705 HydrophobicContact CD2-CB 3.43Å; L444-L705 VanDerWaalsContact CD2-CB 3.43Å; L444-L705 HydrophobicContact CD2-CD1 3.79Å; L444-L705 HydrophobicContact CD2-CD2 4.47Å; L444-L705 HydrophobicContact CD2-CG 4.11Å
445H93.8Very high93.5Very high132 Ų13253.1 Ų53.161%0.61128%0.283SS*.Hα-helixtrans-57.4-43.7177.4-83.7-64000112.8D441 E442 A449D441-H445 PolarHBondContact O-CD2 3.42Å; D441-H445 VanDerWaalsContact O-CD2 3.23Å; D441-H445 PolarHBondContact O-N 3.47Å; E442-H445 PolarHBondContact O-N 3.47Å; H445-A449 PolarHBondContact O-N 3.08Å; H445-A449 VanDerWaalsContact O-N 3.1Å
446A93.7Very high93.3Very high50 Ų5046.6 Ų46.641%0.41326%0.258SS..Hα-helixtrans-68.8-35.8177.900000113.4E442 M443 L444 R450E442-A446 PolarHBondContact O-N 2.93Å; E442-A446 VanDerWaalsContact O-N 3.14Å; M443-A446 PolarHBondContact O-N 2.7Å; L444-A446 VanDerWaalsContact C-N 3.33Å; L444-A446 PolarHBondContact O-N 2.77Å; A446-R450 PolarHBondContact O-N 3.21Å; A446-R450 PolarHBondContact O-NE 3.01Å
447S92.5Very high93.2Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-66.8-46.3175.3-177.10000111.2M443 L444 A449 R450 V451 E514M443-S447 WeakPolarHBondContact O-CB 3.48Å; M443-S447 PolarHBondContact O-N 3.48Å; L444-S447 PolarHBondContact O-N 3.32Å; S447-A449 PolarHBondContact O-N 3.24Å; S447-R450 WeakPolarHBondContact O-CB 3.48Å; S447-R450 PolarHBondContact O-N 3.06Å; S447-R450 VanDerWaalsContact O-N 3.08Å; S447-V451 PolarHBondContact O-N 3Å; S447-E514 WeakPolarHBondContact CA-OE1 3.37Å; S447-E514 VanDerWaalsContact CB-OE1 3.3Å; S447-E514 WeakPolarHBondContact CB-OE1 3.49Å; S447-E514 WeakPolarHBondContact OG-CG 3.4Å; S447-E514 PolarHBondContact OG-OE1 3.05Å
448L94.4Very high93Very high10 Ų1047.7 Ų47.75%0.05227%0.269CS..Hα-helixtrans-64.2-38.8-179.2-70.2176000112.8L444 R450 V451 E452 R698 A701 K702 L705L444-L448 WeakPolarHBondContact O-CB 3.27Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 3.47Å; L448-R450 VanDerWaalsContact C-N 3.3Å; L448-R450 PolarHBondContact O-N 3.47Å; L448-V451 PolarHBondContact O-N 2.91Å; L448-E452 PolarHBondContact O-N 3.25Å; L448-R698 HydrophobicContact CB-CG 3.83Å; L448-R698 HydrophobicContact CD2-CG 4.12Å; L448-R698 HydrophobicContact CG-CG 4.45Å; L448-A701 HydrophobicContact CD2-CB 3.92Å; L448-K702 HydrophobicContact CD1-CB 3.73Å; L448-K702 HydrophobicContact CD1-CD 4.06Å; L448-K702 HydrophobicContact CD1-CG 3.81Å; L448-K702 HydrophobicContact CD2-CB 3.75Å; L448-K702 HydrophobicContact CG-CB 4.41Å; L448-L705 HydrophobicContact CD2-CD1 4.29Å
449A93.4Very high92.9Very high56 Ų5642 Ų4246%0.46324%0.242SC..Hα-helixtrans-63.8-35.4173.600000112.4H445 S447 A453H445-A449 PolarHBondContact O-N 3.08Å; H445-A449 VanDerWaalsContact O-N 3.1Å; S447-A449 PolarHBondContact O-N 3.24Å; A449-A453 WeakPolarHBondContact O-CB 3.41Å; A449-A453 PolarHBondContact O-N 3.07Å
450R92.6Very high92.8Very high104 Ų10443 Ų4339%0.39224%0.243SC..Hα-helixtrans-68.9-42.3175.6-81.4-174.8-79.2154.8-2112.5A446 S447 L448 E452 A453 Q454 E514A446-R450 PolarHBondContact O-N 3.21Å; A446-R450 PolarHBondContact O-NE 3.01Å; S447-R450 WeakPolarHBondContact O-CB 3.48Å; S447-R450 PolarHBondContact O-N 3.06Å; S447-R450 VanDerWaalsContact O-N 3.08Å; L448-R450 VanDerWaalsContact C-N 3.3Å; L448-R450 PolarHBondContact O-N 3.47Å; R450-E452 VanDerWaalsContact C-N 3.33Å; R450-E452 PolarHBondContact O-N 3.44Å; R450-A453 PolarHBondContact O-N 3.02Å; R450-Q454 WeakPolarHBondContact O-CB 3.27Å; R450-Q454 VanDerWaalsContact O-CG 3.32Å; R450-Q454 WeakPolarHBondContact O-CG 3.39Å; R450-Q454 PolarHBondContact O-N 3.13Å; R450-E514 IonicContact CZ-OE1 2.85Å; R450-E514 IonicContact CZ-OE2 3.92Å; R450-E514 IonicContact NE-OE1 2.65Å; R450-E514 VanDerWaalsContact NH1-CD 3.32Å; R450-E514 IonicContact NH1-OE1 3.7Å; R450-E514 PolarHBondContact NH1-OE1 3.39Å; R450-E514 IonicContact NH1-OE2 3.61Å; R450-E514 PolarHBondContact NH1-OE2 3.15Å; R450-E514 IonicContact NH2-OE1 2.7Å; R450-E514 PolarHBondContact NH2-OE1 3.37Å; R450-E514 IonicContact NH2-OE2 3.52Å
451V92.6Very high92.6Very high0 Ų044.2 Ų44.20%025%0.253CS..Hα-helixtrans-58.3-46.5173.6170.60000110.6S447 L448 A453 Q454 V455 I511 E514 A701S447-V451 PolarHBondContact O-N 3Å; L448-V451 PolarHBondContact O-N 2.91Å; V451-A453 PolarHBondContact O-N 3.35Å; V451-Q454 PolarHBondContact O-N 3.42Å; V451-V455 WeakPolarHBondContact O-CG2 3.35Å; V451-V455 PolarHBondContact O-N 2.78Å; V451-V455 VanDerWaalsContact O-N 3.08Å; V451-I511 HydrophobicContact CG1-CD1 4.36Å; V451-I511 HydrophobicContact CG1-CG1 4.23Å; V451-I511 HydrophobicContact CG1-CG2 4.06Å; V451-I511 HydrophobicContact CG2-CG2 4.23Å; V451-E514 HydrophobicContact CG2-CG 4.18Å; V451-A701 HydrophobicContact CG1-CB 4.3Å; V451-A701 HydrophobicContact CG2-CB 4.46Å
452E92.4Very high92.5Very high51 Ų5141.9 Ų41.924%0.23824%0.241CC..Hα-helixtrans-59.1-47.3177.6-167.9177.6168.400111.6L448 R450 A456 S694 R698L448-E452 PolarHBondContact O-N 3.25Å; R450-E452 VanDerWaalsContact C-N 3.33Å; R450-E452 PolarHBondContact O-N 3.44Å; E452-A456 WeakPolarHBondContact O-CB 3.38Å; E452-A456 PolarHBondContact O-N 3.36Å; E452-S694 WeakPolarHBondContact O-CB 3.28Å; E452-R698 HydrophobicContact CB-CB 4.33Å; E452-R698 VanDerWaalsContact OE2-CD 3.24Å; E452-R698 WeakPolarHBondContact OE2-CD 3.45Å; E452-R698 IonicContact OE2-CZ 2.77Å; E452-R698 IonicContact OE2-NE 2.91Å; E452-R698 IonicContact OE2-NH1 3Å; E452-R698 PolarHBondContact OE2-NH1 3.37Å
453A92.4Very high92.2Very high61 Ų6136.1 Ų36.150%0.50421%0.213SC..Hα-helixtrans-65.2-38.9178.900000113.2A449 R450 V451 S457A449-A453 WeakPolarHBondContact O-CB 3.41Å; A449-A453 PolarHBondContact O-N 3.07Å; R450-A453 PolarHBondContact O-N 3.02Å; V451-A453 PolarHBondContact O-N 3.35Å; A453-S457 VanDerWaalsContact O-CB 3.23Å; A453-S457 WeakPolarHBondContact O-CB 3.44Å; A453-S457 PolarHBondContact O-N 2.94Å
454Q91.1Very high92.1Very high58 Ų5842.9 Ų42.927%0.27124%0.238SC..Hα-helixtrans-63.9-48.8177.6-78.5170.7-21.900111.4R450 V451 A456 S457 A458R450-Q454 WeakPolarHBondContact O-CB 3.27Å; R450-Q454 VanDerWaalsContact O-CG 3.32Å; R450-Q454 WeakPolarHBondContact O-CG 3.39Å; R450-Q454 PolarHBondContact O-N 3.13Å; V451-Q454 PolarHBondContact O-N 3.42Å; Q454-A456 PolarHBondContact O-N 3.4Å; Q454-S457 PolarHBondContact O-N 3.3Å; Q454-A458 WeakPolarHBondContact O-CB 3.47Å; Q454-A458 PolarHBondContact O-N 2.91Å
455V92Very high91.9Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-63-44178.4175.90000111V451 S457 A458 L459 I511 F552 T693 A697V451-V455 WeakPolarHBondContact O-CG2 3.35Å; V451-V455 PolarHBondContact O-N 2.78Å; V451-V455 VanDerWaalsContact O-N 3.08Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.86Å; V455-A458 PolarHBondContact O-N 3.47Å; V455-L459 VanDerWaalsContact O-CB 3.27Å; V455-L459 WeakPolarHBondContact O-CB 3.28Å; V455-L459 PolarHBondContact O-N 2.87Å; V455-I511 HydrophobicContact CG2-CD1 3.53Å; V455-I511 HydrophobicContact CG2-CG1 4.38Å; V455-F552 HydrophobicContact CG1-CE1 3.99Å; V455-F552 HydrophobicContact CG2-CE1 3.92Å; V455-F552 HydrophobicContact CG2-CZ 4.32Å; V455-T693 HydrophobicContact CG1-CG2 4.28Å; V455-A697 HydrophobicContact CB-CB 4.45Å; V455-A697 HydrophobicContact CG1-CB 4.34Å; V455-A697 HydrophobicContact CG2-CB 3.76Å
456A92Very high91.7Very high19 Ų1942.6 Ų42.616%0.15723%0.231CC..Hα-helixtrans-62.4-41.3177.100000112.1E452 Q454 N460 V690E452-A456 WeakPolarHBondContact O-CB 3.38Å; E452-A456 PolarHBondContact O-N 3.36Å; Q454-A456 PolarHBondContact O-N 3.4Å; A456-N460 VanDerWaalsContact O-CB 3.3Å; A456-N460 WeakPolarHBondContact O-CB 3.41Å; A456-N460 PolarHBondContact O-N 3.42Å; A456-N460 PolarHBondContact O-ND2 3.17Å; A456-V690 HydrophobicContact CB-CG1 3.83Å
457S92Very high91.5Very high74 Ų7442.6 Ų42.652%0.51723%0.228SC..Hα-helixtrans-65-48.3178.5-177.60000112A453 Q454 V455 N460 A461A453-S457 VanDerWaalsContact O-CB 3.23Å; A453-S457 WeakPolarHBondContact O-CB 3.44Å; A453-S457 PolarHBondContact O-N 2.94Å; Q454-S457 PolarHBondContact O-N 3.3Å; V455-S457 VanDerWaalsContact C-N 3.34Å; V455-S457 PolarHBondContact O-N 2.86Å; S457-N460 PolarHBondContact O-N 2.7Å; S457-A461 WeakPolarHBondContact O-CB 3.31Å; S457-A461 PolarHBondContact O-N 3.49Å
458A91Very high91.4Very high15 Ų1548.2 Ų48.212%0.12425%0.254CS..Hα-helixtrans-67.6-43.2-179.200000112.3Q454 V455 N460 A461 E462 L503 A506 C507Q454-A458 WeakPolarHBondContact O-CB 3.47Å; Q454-A458 PolarHBondContact O-N 2.91Å; V455-A458 PolarHBondContact O-N 3.47Å; A458-N460 VanDerWaalsContact C-N 3.31Å; A458-N460 PolarHBondContact O-N 3.47Å; A458-A461 WeakPolarHBondContact O-CB 3.29Å; A458-A461 PolarHBondContact O-N 3.23Å; A458-A461 VanDerWaalsContact O-N 3.08Å; A458-E462 PolarHBondContact O-N 3.19Å; A458-L503 HydrophobicContact CB-CD1 4.06Å; A458-A506 HydrophobicContact CB-CB 4.25Å; A458-C507 WeakPolarHBondContact CB-SG 3.25Å
459L91Very high91.1Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-62.6-40.4175.7-176.555000110.9V455 A461 E462 I463 L499 L503 L554 V690 T693V455-L459 VanDerWaalsContact O-CB 3.27Å; V455-L459 WeakPolarHBondContact O-CB 3.28Å; V455-L459 PolarHBondContact O-N 2.87Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 3.34Å; L459-E462 PolarHBondContact O-N 3.42Å; L459-I463 HydrophobicContact CD1-CD1 4.35Å; L459-I463 HydrophobicContact CD1-CG1 4.37Å; L459-I463 HydrophobicContact CG-CD1 4.02Å; L459-I463 WeakPolarHBondContact O-CB 3.49Å; L459-I463 WeakPolarHBondContact O-CD1 3.49Å; L459-I463 WeakPolarHBondContact O-CG1 3.23Å; L459-I463 PolarHBondContact O-N 2.92Å; L459-L499 HydrophobicContact CD1-CD2 4.43Å; L459-L503 HydrophobicContact CB-CD1 3.87Å; L459-L503 HydrophobicContact CD1-CD1 4.45Å; L459-L503 HydrophobicContact CD1-CD2 4.28Å; L459-L554 HydrophobicContact CD1-CD1 4.44Å; L459-V690 HydrophobicContact CD2-CB 4.29Å; L459-V690 HydrophobicContact CD2-CG2 3.85Å; L459-V690 HydrophobicContact CG-CG2 4.02Å; L459-T693 HydrophobicContact CD2-CG2 4.27Å
460N92Very high91Very high54 Ų5445.4 Ų45.429%0.28923%0.231SC..Hα-helixtrans-63.9-36.2172.7-84.9-55.7000113.1A456 S457 A458 R464A456-N460 VanDerWaalsContact O-CB 3.3Å; A456-N460 WeakPolarHBondContact O-CB 3.41Å; A456-N460 PolarHBondContact O-N 3.42Å; A456-N460 PolarHBondContact O-ND2 3.17Å; S457-N460 PolarHBondContact O-N 2.7Å; A458-N460 VanDerWaalsContact C-N 3.31Å; A458-N460 PolarHBondContact O-N 3.47Å; N460-R464 WeakPolarHBondContact O-CG 3.24Å; N460-R464 PolarHBondContact O-N 3.39Å; N460-R464 VanDerWaalsContact O-N 3.12Å
461A91.4Very high90.7Very high26 Ų2645.3 Ų45.322%0.21524%0.239CC..Hα-helixtrans-64.7-43.417500000111.6S457 A458 L459 R464 R465S457-A461 WeakPolarHBondContact O-CB 3.31Å; S457-A461 PolarHBondContact O-N 3.49Å; A458-A461 WeakPolarHBondContact O-CB 3.29Å; A458-A461 PolarHBondContact O-N 3.23Å; A458-A461 VanDerWaalsContact O-N 3.08Å; L459-A461 VanDerWaalsContact C-N 3.33Å; L459-A461 PolarHBondContact O-N 3.34Å; A461-R464 WeakPolarHBondContact O-CB 3.27Å; A461-R464 PolarHBondContact O-N 2.86Å; A461-R465 PolarHBondContact O-N 2.84Å
462E89.8Confident90.5Very high13 Ų1348.6 Ų48.66%0.06126%0.261CS..Hα-helixtrans-71.7-34.7177.7-65.8-54121.400112.4A458 L459 R464 R465 L466 L499 K502A458-E462 PolarHBondContact O-N 3.19Å; L459-E462 PolarHBondContact O-N 3.42Å; E462-R464 VanDerWaalsContact C-N 3.29Å; E462-R464 PolarHBondContact O-N 2.99Å; E462-R465 CarbonylContact O-C 3.55Å; E462-R465 PolarHBondContact O-N 2.93Å; E462-R465 IonicContact OE1-NH1 3.4Å; E462-R465 PolarHBondContact OE1-NH1 2.97Å; E462-L466 PolarHBondContact O-N 3.3Å; E462-L466 VanDerWaalsContact O-N 3.12Å; E462-L499 HydrophobicContact CB-CD1 3.52Å; E462-K502 HydrophobicContact CG-CB 4.36Å; E462-K502 WeakPolarHBondContact OE2-CD 3.41Å
463I89.2Confident90.4Very high3 Ų346.7 Ų46.72%0.01525%0.252CS..Hα-helixtrans-60.2-38.8170.7-69.5163.7000111L459 R465 L466 L686 R687 V690L459-I463 HydrophobicContact CD1-CD1 4.35Å; L459-I463 HydrophobicContact CD1-CG1 4.37Å; L459-I463 HydrophobicContact CG-CD1 4.02Å; L459-I463 WeakPolarHBondContact O-CB 3.49Å; L459-I463 WeakPolarHBondContact O-CD1 3.49Å; L459-I463 WeakPolarHBondContact O-CG1 3.23Å; L459-I463 PolarHBondContact O-N 2.92Å; I463-R465 PolarHBondContact O-N 2.98Å; I463-L466 WeakPolarHBondContact O-CB 3.41Å; I463-L466 PolarHBondContact O-N 2.94Å; I463-L686 HydrophobicContact CD1-CB 3.74Å; I463-L686 HydrophobicContact CG1-CB 3.83Å; I463-L686 HydrophobicContact CG1-CD1 4.29Å; I463-R687 HydrophobicContact CD1-CG 4.26Å; I463-R687 HydrophobicContact CG2-CG 4.32Å; I463-V690 HydrophobicContact CD1-CG2 3.67Å
464R90.5Very high89.8Confident171 Ų17149.2 Ų49.265%0.64527%0.266SS*.Hα-helixtrans-65.4-26.5176.2-76.9-177.6-70.9-124.1-1.8113N460 A461 E462N460-R464 WeakPolarHBondContact O-CG 3.24Å; N460-R464 PolarHBondContact O-N 3.39Å; N460-R464 VanDerWaalsContact O-N 3.12Å; A461-R464 WeakPolarHBondContact O-CB 3.27Å; A461-R464 PolarHBondContact O-N 2.86Å; E462-R464 VanDerWaalsContact C-N 3.29Å; E462-R464 PolarHBondContact O-N 2.99Å
465R89.8Confident89.5Confident129 Ų12952.4 Ų52.449%0.48728%0.276SS..THydrogen-bonded Turntrans-96.49.3177.8-64.2176.2178.8161.3-5.2113A461 E462 I463 S467 E468 L469A461-R465 PolarHBondContact O-N 2.84Å; E462-R465 CarbonylContact O-C 3.55Å; E462-R465 PolarHBondContact O-N 2.93Å; E462-R465 IonicContact OE1-NH1 3.4Å; E462-R465 PolarHBondContact OE1-NH1 2.97Å; I463-R465 PolarHBondContact O-N 2.98Å; R465-S467 PolarHBondContact O-N 3Å; R465-S467 VanDerWaalsContact O-N 3.14Å; R465-E468 WeakPolarHBondContact O-CB 3.35Å; R465-E468 PolarHBondContact O-N 3.46Å; R465-L469 PolarHBondContact O-N 2.95Å
466L90.6Very high88.9Confident0 Ų058.3 Ų58.30%031%0.314CS..Hα-helixtrans-58.5-31.1-177.5-173.564.8000112.4E462 I463 E468 L469 V470 V495 V679 A682 S683 L686E462-L466 PolarHBondContact O-N 3.3Å; E462-L466 VanDerWaalsContact O-N 3.12Å; I463-L466 WeakPolarHBondContact O-CB 3.41Å; I463-L466 PolarHBondContact O-N 2.94Å; L466-E468 PolarHBondContact O-N 3.45Å; L466-L469 PolarHBondContact O-N 2.96Å; L466-V470 HydrophobicContact CD1-CG2 4.37Å; L466-V470 HydrophobicContact CG-CG2 4.23Å; L466-V470 WeakPolarHBondContact O-CB 3.23Å; L466-V470 WeakPolarHBondContact O-CG2 3.34Å; L466-V470 PolarHBondContact O-N 2.94Å; L466-V495 HydrophobicContact CD1-CG1 3.81Å; L466-V679 HydrophobicContact CB-CG1 4.5Å; L466-A682 HydrophobicContact CD2-CB 3.75Å; L466-S683 WeakPolarHBondContact CD2-OG 3.46Å; L466-L686 HydrophobicContact CD1-CD1 4.36Å; L466-L686 HydrophobicContact CD2-CD1 3.98Å
467S88.9Confident88.6Confident51 Ų5158.2 Ų58.236%0.35731%0.31SS..Hα-helixtrans-58.5-45174.553.10000112.7R465 L469 V470 D471R465-S467 PolarHBondContact O-N 3Å; R465-S467 VanDerWaalsContact O-N 3.14Å; S467-L469 VanDerWaalsContact C-N 3.28Å; S467-L469 PolarHBondContact O-N 3.35Å; S467-V470 PolarHBondContact O-N 2.7Å; S467-D471 WeakPolarHBondContact O-CB 3.39Å; S467-D471 VanDerWaalsContact O-CG 3.26Å; S467-D471 PolarHBondContact O-N 2.9Å
468E89.3Confident88.2Confident118 Ų11859.3 Ų59.355%0.55131%0.307SS*.Hα-helixtrans-64.9-37.8179-61173.2-175.200110.9R465 L466 D471 S472R465-E468 WeakPolarHBondContact O-CB 3.35Å; R465-E468 PolarHBondContact O-N 3.46Å; L466-E468 PolarHBondContact O-N 3.45Å; E468-D471 PolarHBondContact O-N 2.91Å; E468-S472 PolarHBondContact O-N 3.32Å
469L89.1Confident87.5Confident6 Ų660.5 Ų60.53%0.03131%0.313CS..Hα-helixtrans-69.9-41.2179.5-164.1150000111.6R465 L466 S467 S472 V495 E498 L499R465-L469 PolarHBondContact O-N 2.95Å; L466-L469 PolarHBondContact O-N 2.96Å; S467-L469 VanDerWaalsContact C-N 3.28Å; S467-L469 PolarHBondContact O-N 3.35Å; L469-S472 PolarHBondContact O-N 2.96Å; L469-S472 PolarHBondContact O-OG 3.19Å; L469-V495 HydrophobicContact CD2-CB 4.16Å; L469-V495 HydrophobicContact CD2-CG1 4.33Å; L469-V495 HydrophobicContact CD2-CG2 3.83Å; L469-E498 HydrophobicContact CD1-CB 3.68Å; L469-E498 HydrophobicContact CD2-CB 3.98Å; L469-E498 HydrophobicContact CG-CB 3.92Å; L469-L499 HydrophobicContact CD1-CB 4.48Å
470V90.3Very high87.1Confident0 Ų063.9 Ų63.90%033%0.331CS..Hα-helixtrans-69.1-37175.1170.80000111.4L466 S467 S472 Y473 L491 V495 K675 Y678 V679L466-V470 HydrophobicContact CD1-CG2 4.37Å; L466-V470 HydrophobicContact CG-CG2 4.23Å; L466-V470 WeakPolarHBondContact O-CB 3.23Å; L466-V470 WeakPolarHBondContact O-CG2 3.34Å; L466-V470 PolarHBondContact O-N 2.94Å; S467-V470 PolarHBondContact O-N 2.7Å; V470-S472 VanDerWaalsContact C-N 3.29Å; V470-S472 PolarHBondContact O-N 3.42Å; V470-Y473 WeakPolarHBondContact O-CB 3.38Å; V470-Y473 PolarHBondContact O-N 3.26Å; V470-L491 HydrophobicContact CG1-CD1 4.29Å; V470-L491 HydrophobicContact CG1-CD2 4.41Å; V470-V495 HydrophobicContact CG2-CG2 4.02Å; V470-K675 HydrophobicContact CG1-CB 3.81Å; V470-K675 HydrophobicContact CG1-CD 4.06Å; V470-K675 HydrophobicContact CG1-CG 3.66Å; V470-K675 WeakPolarHBondContact O-CE 3.09Å; V470-Y678 HydrophobicContact CG1-CD1 4.38Å; V470-Y678 HydrophobicContact CG2-CD1 3.85Å; V470-Y678 HydrophobicContact CG2-CE1 3.9Å; V470-V679 HydrophobicContact CB-CG2 3.81Å; V470-V679 HydrophobicContact CG1-CG2 4.05Å; V470-V679 HydrophobicContact CG2-CG2 3.75Å
471D88.1Confident86.5Confident103 Ų10365.4 Ų65.455%0.55134%0.344SS*.Hα-helixtrans-68.3-29.1177.1-75.4-21.2000112.6S467 E468 Y473S467-D471 WeakPolarHBondContact O-CB 3.39Å; S467-D471 VanDerWaalsContact O-CG 3.26Å; S467-D471 PolarHBondContact O-N 2.9Å; E468-D471 PolarHBondContact O-N 2.91Å; D471-Y473 PolarHBondContact O-N 3.44Å; D471-Y473 VanDerWaalsContact O-N 3.17Å
472S88Confident86Confident68 Ų6867.2 Ų67.248%0.47636%0.359SS..THydrogen-bonded Turntrans-63.7-1617479.50000114E468 L469 V470 S474 H494E468-S472 PolarHBondContact O-N 3.32Å; L469-S472 PolarHBondContact O-N 2.96Å; L469-S472 PolarHBondContact O-OG 3.19Å; V470-S472 VanDerWaalsContact C-N 3.29Å; V470-S472 PolarHBondContact O-N 3.42Å; S472-S474 PolarHBondContact O-N 3.11Å; S472-H494 PolarHBondContact OG-NE2 3.14Å
473Y89.5Confident85.8Confident11 Ų1170.6 Ų70.64%0.04338%0.377CS..  trans-76.7110.1177.8-174.5-109.8000111.1V470 D471 R475 Y487 E490 L491 H494 K675V470-Y473 WeakPolarHBondContact O-CB 3.38Å; V470-Y473 PolarHBondContact O-N 3.26Å; D471-Y473 PolarHBondContact O-N 3.44Å; D471-Y473 VanDerWaalsContact O-N 3.17Å; Y473-R475 HydrophobicContact CE1-CB 3.8Å; Y473-R475 HydrophobicContact CE1-CG 4.24Å; Y473-R475 HydrophobicContact CE2-CB 4.31Å; Y473-R475 HydrophobicContact CE2-CG 3.83Å; Y473-R475 VanDerWaalsContact OH-CD 3.24Å; Y473-R475 WeakPolarHBondContact OH-CD 3.45Å; Y473-R475 WeakPolarHBondContact OH-CG 3.27Å; Y473-Y487 HydrophobicContact CD1-CE1 4.14Å; Y473-Y487 HydrophobicContact CD1-CE2 4.06Å; Y473-Y487 AromaticContact CD1-CZ 3.65Å; Y473-Y487 HydrophobicContact CE1-CD1 4.35Å; Y473-Y487 AromaticContact CE1-CD2 3.95Å; Y473-Y487 HydrophobicContact CE1-CD2 3.95Å; Y473-Y487 AromaticContact CE1-CE1 3.94Å; Y473-Y487 HydrophobicContact CE1-CE1 3.94Å; Y473-Y487 AromaticContact CE1-CE2 3.53Å; Y473-Y487 HydrophobicContact CE1-CE2 3.53Å; Y473-Y487 HydrophobicContact CE1-CG 4.35Å; Y473-Y487 AromaticContact CE1-CZ 3.51Å; Y473-E490 HydrophobicContact CE2-CB 4.5Å; Y473-E490 WeakPolarHBondContact OH-CB 3.47Å; Y473-E490 PolarHBondContact OH-OE2 3.38Å; Y473-L491 HydrophobicContact CD1-CD1 3.86Å; Y473-L491 HydrophobicContact CD2-CD1 4.47Å; Y473-L491 HydrophobicContact CE1-CB 4.4Å; Y473-L491 HydrophobicContact CG-CD1 3.81Å; Y473-H494 HydrophobicContact CD2-CB 3.96Å; Y473-H494 AromaticContact CD2-CG 3.8Å; Y473-H494 HydrophobicContact CE2-CB 4.29Å; Y473-K675 PolarHBondContact O-NZ 3.47Å
474S81.2Confident85.6Confident114 Ų11470.7 Ų70.780%0.79738%0.377SS*.  trans-104.214.1-166.764.10000115.6S472S472-S474 PolarHBondContact O-N 3.11Å
475R83.1Confident85.4Confident126 Ų12668.5 Ų68.548%0.47537%0.374SS..SBendtrans-74.4148.4178.3-65.1-151.4-174.1-169.1-0.7112Y473 F477 Y487 E490Y473-R475 HydrophobicContact CE1-CB 3.8Å; Y473-R475 HydrophobicContact CE1-CG 4.24Å; Y473-R475 HydrophobicContact CE2-CB 4.31Å; Y473-R475 HydrophobicContact CE2-CG 3.83Å; Y473-R475 VanDerWaalsContact OH-CD 3.24Å; Y473-R475 WeakPolarHBondContact OH-CD 3.45Å; Y473-R475 WeakPolarHBondContact OH-CG 3.27Å; R475-F477 PolarHBondContact O-N 3.36Å; R475-Y487 WeakPolarHBondContact O-CE2 3.26Å; R475-E490 VanDerWaalsContact CD-OE2 3.28Å; R475-E490 WeakPolarHBondContact CD-OE2 3.43Å; R475-E490 IonicContact CZ-OE1 3.49Å; R475-E490 IonicContact CZ-OE2 2.84Å; R475-E490 IonicContact NE-OE2 3.85Å; R475-E490 IonicContact NH1-OE1 2.59Å; R475-E490 PolarHBondContact NH1-OE1 3.42Å; R475-E490 IonicContact NH1-OE2 3.07Å; R475-E490 PolarHBondContact NH1-OE2 3.11Å; R475-E490 IonicContact NH2-OE1 3.24Å
476P81.1Confident85.2Confident123 Ų12366 Ų6680%0.79937%0.373SS*.PPolyproline II helixtrans-64.6131.2-176.924.4-32.9000112.2
477F85.5Confident85.1Confident18 Ų1866.4 Ų66.48%0.07938%0.375CS..PPolyproline II helixtrans-89.5130.3177.4-178.2-92.2000111.6R475 Y487 I567 N667 K670 E671 F674R475-F477 PolarHBondContact O-N 3.36Å; F477-Y487 HydrophobicContact CB-CE2 4.23Å; F477-Y487 HydrophobicContact CD2-CD1 4.44Å; F477-Y487 HydrophobicContact CD2-CD2 4.45Å; F477-Y487 HydrophobicContact CD2-CE1 4.23Å; F477-Y487 HydrophobicContact CD2-CE2 4.21Å; F477-I567 HydrophobicContact CZ-CD1 4.48Å; F477-N667 WeakPolarHBondContact CD1-O 3.39Å; F477-K670 HydrophobicContact CE1-CB 3.68Å; F477-K670 HydrophobicContact CZ-CB 4.26Å; F477-E671 HydrophobicContact CB-CB 3.83Å; F477-E671 HydrophobicContact CB-CG 3.73Å; F477-E671 HydrophobicContact CD1-CB 3.87Å; F477-E671 HydrophobicContact CD2-CB 4.05Å; F477-E671 HydrophobicContact CD2-CG 3.98Å; F477-E671 HydrophobicContact CE1-CB 4.47Å; F477-E671 HydrophobicContact CG-CB 3.64Å; F477-E671 HydrophobicContact CG-CG 3.85Å; F477-F674 HydrophobicContact CE2-CB 4.06Å; F477-F674 HydrophobicContact CE2-CD1 4.39Å; F477-F674 HydrophobicContact CE2-CD2 4.22Å; F477-F674 AromaticContact CE2-CG 3.98Å; F477-F674 HydrophobicContact CE2-CG 3.98Å; F477-F674 HydrophobicContact CZ-CB 4.35Å
478H82.2Confident85.1Confident97 Ų9765.3 Ų65.345%0.44936%0.363SS..  trans-129135.7176.3-156.8-85.7000110.7D480 L483 I484H478-D480 WeakPolarHBondContact ND1-CB 3.32Å; H478-D480 PolarHBondContact ND1-N 3.46Å; H478-D480 PolarHBondContact O-N 3.14Å; H478-D480 VanDerWaalsContact O-N 3.13Å; H478-L483 HydrophobicContact CB-CB 4.17Å; H478-L483 HydrophobicContact CB-CD1 3.65Å; H478-I484 WeakPolarHBondContact O-CG1 3.48Å
479P76.6Confident85Confident39 Ų3967 Ų6725%0.25337%0.365SS..  trans-77.49.2-175.532.6-38.1000114.8K670P479-K670 HydrophobicContact CB-CD 4.24Å
480D82.4Confident85Confident72 Ų7269.7 Ų69.739%0.38538%0.377SS..  trans-80.8127.3-179177.820.5000110.2H478 A482 L483 I484H478-D480 WeakPolarHBondContact ND1-CB 3.32Å; H478-D480 PolarHBondContact ND1-N 3.46Å; H478-D480 PolarHBondContact O-N 3.14Å; H478-D480 VanDerWaalsContact O-N 3.13Å; D480-A482 VanDerWaalsContact C-N 3.25Å; D480-A482 PolarHBondContact O-N 3.42Å; D480-A482 VanDerWaalsContact O-N 3.12Å; D480-L483 HydrophobicContact CB-CB 4.34Å; D480-L483 HydrophobicContact CB-CD1 4.16Å; D480-L483 HydrophobicContact CB-CG 4.36Å; D480-L483 PolarHBondContact O-N 2.88Å; D480-I484 WeakPolarHBondContact O-CG1 3.39Å; D480-I484 PolarHBondContact O-N 3.24Å
481P79.8Confident85Confident86 Ų8669.7 Ų69.756%0.55838%0.377SS*.Hα-helixtrans-48.9-39.5-176.8-32.235.8000115.4I484 H485P481-I484 PolarHBondContact O-N 3.36Å; P481-H485 PolarHBondContact O-CD2 3.32Å; P481-H485 PolarHBondContact O-N 2.87Å
482A81.3Confident85.1Confident64 Ų6465.3 Ų65.353%0.52935%0.354SS..Hα-helixtrans-66.8-41.8178.900000112.3D480 H485 V486D480-A482 VanDerWaalsContact C-N 3.25Å; D480-A482 PolarHBondContact O-N 3.42Å; D480-A482 VanDerWaalsContact O-N 3.12Å; A482-H485 PolarHBondContact O-N 3.49Å; A482-V486 PolarHBondContact O-N 3.21Å
483L85.7Confident85.1Confident84 Ų8464.6 Ų64.644%0.4435%0.347SS..Hα-helixtrans-72.7-31178.3-66.7175.2000112.2H478 D480 H485 V486 Y487H478-L483 HydrophobicContact CB-CB 4.17Å; H478-L483 HydrophobicContact CB-CD1 3.65Å; D480-L483 HydrophobicContact CB-CB 4.34Å; D480-L483 HydrophobicContact CB-CD1 4.16Å; D480-L483 HydrophobicContact CB-CG 4.36Å; D480-L483 PolarHBondContact O-N 2.88Å; L483-H485 VanDerWaalsContact C-N 3.35Å; L483-V486 PolarHBondContact O-N 3.26Å; L483-Y487 WeakPolarHBondContact O-CB 3.49Å; L483-Y487 PolarHBondContact O-N 3.1Å
484I84.6Confident85.2Confident4 Ų465.8 Ų65.82%0.02135%0.353CS..Hα-helixtrans-64.4-39.4174-66.3167.6000111.1H478 D480 P481 V486 Y487 K488 E565 I567 F674H478-I484 WeakPolarHBondContact O-CG1 3.48Å; D480-I484 WeakPolarHBondContact O-CG1 3.39Å; D480-I484 PolarHBondContact O-N 3.24Å; P481-I484 PolarHBondContact O-N 3.36Å; I484-V486 PolarHBondContact O-N 2.82Å; I484-Y487 PolarHBondContact O-N 3.46Å; I484-K488 HydrophobicContact CG2-CD 4.36Å; I484-K488 HydrophobicContact CG2-CG 4.39Å; I484-K488 WeakPolarHBondContact O-CB 3.42Å; I484-K488 WeakPolarHBondContact O-CG 3.42Å; I484-K488 PolarHBondContact O-N 3.11Å; I484-E565 HydrophobicContact CG2-CG 4.27Å; I484-E565 WeakPolarHBondContact CG2-OE1 3.41Å; I484-I567 HydrophobicContact CD1-CD1 3.53Å; I484-F674 HydrophobicContact CG2-CE2 4Å
485H85.4Confident85.6Confident126 Ų12660.4 Ų60.458%0.58332%0.315SS*.Hα-helixtrans-62.3-42.1175.7-83-66.9000112.6P481 A482 L483 R489P481-H485 PolarHBondContact O-CD2 3.32Å; P481-H485 PolarHBondContact O-N 2.87Å; A482-H485 PolarHBondContact O-N 3.49Å; L483-H485 VanDerWaalsContact C-N 3.35Å; H485-R489 PolarHBondContact O-N 3.45Å; H485-R489 VanDerWaalsContact O-N 3.1Å
486V86.2Confident85.9Confident75 Ų7557.5 Ų57.546%0.45531%0.307SS..Hα-helixtrans-64.7-46.3174.8178.80000110.3A482 L483 I484 K488 R489 E490A482-V486 PolarHBondContact O-N 3.21Å; L483-V486 PolarHBondContact O-N 3.26Å; I484-V486 PolarHBondContact O-N 2.82Å; V486-K488 VanDerWaalsContact C-N 3.34Å; V486-K488 PolarHBondContact O-N 2.95Å; V486-R489 PolarHBondContact O-N 3.09Å; V486-R489 VanDerWaalsContact O-N 3.17Å; V486-E490 HydrophobicContact CG1-CG 4.35Å; V486-E490 WeakPolarHBondContact O-CG 3.38Å; V486-E490 PolarHBondContact O-N 3.33Å
487Y89.2Confident86.2Confident10 Ų1058.5 Ų58.54%0.03930%0.295CS..Hα-helixtrans-57.4-44.8177.5-168.6-83.9000112Y473 R475 F477 L483 I484 E490 L491 E671 F674 K675Y473-Y487 HydrophobicContact CD1-CE1 4.14Å; Y473-Y487 HydrophobicContact CD1-CE2 4.06Å; Y473-Y487 AromaticContact CD1-CZ 3.65Å; Y473-Y487 HydrophobicContact CE1-CD1 4.35Å; Y473-Y487 AromaticContact CE1-CD2 3.95Å; Y473-Y487 HydrophobicContact CE1-CD2 3.95Å; Y473-Y487 AromaticContact CE1-CE1 3.94Å; Y473-Y487 HydrophobicContact CE1-CE1 3.94Å; Y473-Y487 AromaticContact CE1-CE2 3.53Å; Y473-Y487 HydrophobicContact CE1-CE2 3.53Å; Y473-Y487 HydrophobicContact CE1-CG 4.35Å; Y473-Y487 AromaticContact CE1-CZ 3.51Å; R475-Y487 WeakPolarHBondContact O-CE2 3.26Å; F477-Y487 HydrophobicContact CB-CE2 4.23Å; F477-Y487 HydrophobicContact CD2-CD1 4.44Å; F477-Y487 HydrophobicContact CD2-CD2 4.45Å; F477-Y487 HydrophobicContact CD2-CE1 4.23Å; F477-Y487 HydrophobicContact CD2-CE2 4.21Å; L483-Y487 WeakPolarHBondContact O-CB 3.49Å; L483-Y487 PolarHBondContact O-N 3.1Å; I484-Y487 PolarHBondContact O-N 3.46Å; Y487-E490 PolarHBondContact O-N 2.9Å; Y487-L491 HydrophobicContact CE1-CD2 4.34Å; Y487-L491 WeakPolarHBondContact O-CB 3.48Å; Y487-L491 PolarHBondContact O-N 3.26Å; Y487-E671 PolarHBondContact OH-OE1 3.33Å; Y487-F674 AromaticContact CD1-CE1 3.82Å; Y487-F674 HydrophobicContact CD1-CE1 3.82Å; Y487-F674 HydrophobicContact CD1-CZ 4.12Å; Y487-F674 HydrophobicContact CE1-CD1 4.15Å; Y487-F674 AromaticContact CE1-CE1 3.77Å; Y487-F674 HydrophobicContact CE1-CE1 3.77Å; Y487-K675 WeakPolarHBondContact OH-CE 3.26Å
488K88.9Confident86.4Confident27 Ų2759.8 Ų59.812%0.11730%0.301CS..Hα-helixtrans-59.3-47.3174.6-79177.2-177.4-175.20112.6I484 V486 L491 N492 F563 E565 F674I484-K488 HydrophobicContact CG2-CD 4.36Å; I484-K488 HydrophobicContact CG2-CG 4.39Å; I484-K488 WeakPolarHBondContact O-CB 3.42Å; I484-K488 WeakPolarHBondContact O-CG 3.42Å; I484-K488 PolarHBondContact O-N 3.11Å; V486-K488 VanDerWaalsContact C-N 3.34Å; V486-K488 PolarHBondContact O-N 2.95Å; K488-L491 PolarHBondContact O-N 3.46Å; K488-N492 WeakPolarHBondContact O-CB 3.47Å; K488-N492 VanDerWaalsContact O-CG 3.23Å; K488-N492 PolarHBondContact O-N 3.17Å; K488-N492 PolarHBondContact O-ND2 3.37Å; K488-F563 HydrophobicContact CD-CD1 4.29Å; K488-F563 HydrophobicContact CG-CD1 4.46Å; K488-F563 PolarHBondContact NZ-O 2.86Å; K488-E565 WeakPolarHBondContact CE-OE2 3.43Å; K488-E565 IonicContact NZ-OE2 2.71Å; K488-E565 PolarHBondContact NZ-OE2 3.26Å; K488-F674 HydrophobicContact CG-CE2 4.05Å; K488-F674 HydrophobicContact CG-CZ 3.62Å
489R87.5Confident86.7Confident154 Ų15455.1 Ų55.158%0.58128%0.279SS*.Hα-helixtrans-61.7-47.3-178.9178.9-179.8169177.1-4.2110.6H485 V486 N492 T493H485-R489 PolarHBondContact O-N 3.45Å; H485-R489 VanDerWaalsContact O-N 3.1Å; V486-R489 PolarHBondContact O-N 3.09Å; V486-R489 VanDerWaalsContact O-N 3.17Å; R489-N492 PolarHBondContact O-N 2.99Å; R489-T493 PolarHBondContact O-N 2.87Å; R489-T493 VanDerWaalsContact O-N 3.08Å; R489-T493 PolarHBondContact O-OG1 3.15Å; R489-T493 VanDerWaalsContact O-OG1 3.12Å
490E89.3Confident87.3Confident62 Ų6253.9 Ų53.929%0.2927%0.273SS..Hα-helixtrans-68.4-37.7179.9-67-173.1150.700112.2Y473 R475 V486 Y487 T493 H494Y473-E490 HydrophobicContact CE2-CB 4.5Å; Y473-E490 WeakPolarHBondContact OH-CB 3.47Å; Y473-E490 PolarHBondContact OH-OE2 3.38Å; R475-E490 VanDerWaalsContact CD-OE2 3.28Å; R475-E490 WeakPolarHBondContact CD-OE2 3.43Å; R475-E490 IonicContact CZ-OE1 3.49Å; R475-E490 IonicContact CZ-OE2 2.84Å; R475-E490 IonicContact NE-OE2 3.85Å; R475-E490 IonicContact NH1-OE1 2.59Å; R475-E490 PolarHBondContact NH1-OE1 3.42Å; R475-E490 IonicContact NH1-OE2 3.07Å; R475-E490 PolarHBondContact NH1-OE2 3.11Å; R475-E490 IonicContact NH2-OE1 3.24Å; V486-E490 HydrophobicContact CG1-CG 4.35Å; V486-E490 WeakPolarHBondContact O-CG 3.38Å; V486-E490 PolarHBondContact O-N 3.33Å; Y487-E490 PolarHBondContact O-N 2.9Å; E490-T493 PolarHBondContact O-N 3.39Å; E490-H494 WeakPolarHBondContact O-CB 3.26Å; E490-H494 PolarHBondContact O-N 3.02Å
491L89.8Confident87.5Confident0 Ų055.4 Ų55.40%027%0.274CS..Hα-helixtrans-63.2-44.6173.2-178.163.8000111.5V470 Y473 Y487 K488 T493 H494 V495 F674 Y678V470-L491 HydrophobicContact CG1-CD1 4.29Å; V470-L491 HydrophobicContact CG1-CD2 4.41Å; Y473-L491 HydrophobicContact CD1-CD1 3.86Å; Y473-L491 HydrophobicContact CD2-CD1 4.47Å; Y473-L491 HydrophobicContact CE1-CB 4.4Å; Y473-L491 HydrophobicContact CG-CD1 3.81Å; Y487-L491 HydrophobicContact CE1-CD2 4.34Å; Y487-L491 WeakPolarHBondContact O-CB 3.48Å; Y487-L491 PolarHBondContact O-N 3.26Å; K488-L491 PolarHBondContact O-N 3.46Å; L491-T493 VanDerWaalsContact C-N 3.32Å; L491-T493 PolarHBondContact O-N 2.89Å; L491-H494 WeakPolarHBondContact O-CB 3.43Å; L491-H494 PolarHBondContact O-N 3.09Å; L491-V495 HydrophobicContact CD1-CG2 4.15Å; L491-V495 HydrophobicContact CG-CG2 4.34Å; L491-V495 WeakPolarHBondContact O-CB 3.23Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.37Å; L491-V495 PolarHBondContact O-N 3.03Å; L491-F674 HydrophobicContact CD2-CE1 3.9Å; L491-Y678 HydrophobicContact CD2-CD1 3.82Å; L491-Y678 HydrophobicContact CD2-CD2 4.11Å; L491-Y678 HydrophobicContact CD2-CE1 3.92Å; L491-Y678 HydrophobicContact CD2-CE2 4.18Å; L491-Y678 HydrophobicContact CD2-CG 3.92Å; L491-Y678 HydrophobicContact CG-CE1 4.15Å
492N89.9Confident88Confident12 Ų1254.2 Ų54.26%0.06426%0.26CS..Hα-helixtrans-58.2-45.1175.4-75-17.7000111.5K488 R489 V495 E496 C560 Y678K488-N492 WeakPolarHBondContact O-CB 3.47Å; K488-N492 VanDerWaalsContact O-CG 3.23Å; K488-N492 PolarHBondContact O-N 3.17Å; K488-N492 PolarHBondContact O-ND2 3.37Å; R489-N492 PolarHBondContact O-N 2.99Å; N492-V495 PolarHBondContact O-N 3.01Å; N492-E496 VanDerWaalsContact O-CB 3.3Å; N492-E496 WeakPolarHBondContact O-CB 3.13Å; N492-E496 PolarHBondContact O-N 2.99Å; N492-C560 WeakPolarHBondContact OD1-CB 3.36Å; N492-Y678 VanDerWaalsContact OD1-CE2 3.23Å; N492-Y678 WeakPolarHBondContact OD1-CE2 3.35Å; N492-Y678 PolarHBondContact OD1-OH 3.39Å
493T88.7Confident88.3Confident53 Ų5351.1 Ų51.133%0.32523%0.234SC..Hα-helixtrans-67.2-35.4177.6-56.50000112.3R489 E490 L491 R497R489-T493 PolarHBondContact O-N 2.87Å; R489-T493 VanDerWaalsContact O-N 3.08Å; R489-T493 PolarHBondContact O-OG1 3.15Å; R489-T493 VanDerWaalsContact O-OG1 3.12Å; E490-T493 PolarHBondContact O-N 3.39Å; L491-T493 VanDerWaalsContact C-N 3.32Å; L491-T493 PolarHBondContact O-N 2.89Å; T493-R497 WeakPolarHBondContact O-CB 3.43Å; T493-R497 PolarHBondContact O-N 3.12Å; T493-R497 VanDerWaalsContact O-N 3.13Å
494H90.4Very high88.4Confident36 Ų3649.4 Ų49.417%0.16723%0.227CC..Hα-helixtrans-64.6-47.2173.8-176.273.8000111.3S472 Y473 E490 L491 R497 E498S472-H494 PolarHBondContact OG-NE2 3.14Å; Y473-H494 HydrophobicContact CD2-CB 3.96Å; Y473-H494 AromaticContact CD2-CG 3.8Å; Y473-H494 HydrophobicContact CE2-CB 4.29Å; E490-H494 WeakPolarHBondContact O-CB 3.26Å; E490-H494 PolarHBondContact O-N 3.02Å; L491-H494 WeakPolarHBondContact O-CB 3.43Å; L491-H494 PolarHBondContact O-N 3.09Å; H494-R497 PolarHBondContact O-N 2.72Å; H494-E498 WeakPolarHBondContact O-CB 2.91Å; H494-E498 PolarHBondContact O-N 3.04Å
495V90Very high88.5Confident1 Ų155 Ų551%0.00625%0.253CS..Hα-helixtrans-63-47.2178.8171.90000111.3L466 L469 V470 L491 N492 R497 L499 Y678L466-V495 HydrophobicContact CD1-CG1 3.81Å; L469-V495 HydrophobicContact CD2-CB 4.16Å; L469-V495 HydrophobicContact CD2-CG1 4.33Å; L469-V495 HydrophobicContact CD2-CG2 3.83Å; V470-V495 HydrophobicContact CG2-CG2 4.02Å; L491-V495 HydrophobicContact CD1-CG2 4.15Å; L491-V495 HydrophobicContact CG-CG2 4.34Å; L491-V495 WeakPolarHBondContact O-CB 3.23Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.37Å; L491-V495 PolarHBondContact O-N 3.03Å; N492-V495 PolarHBondContact O-N 3.01Å; V495-R497 PolarHBondContact O-N 3.49Å; V495-L499 WeakPolarHBondContact O-CB 3.39Å; V495-L499 PolarHBondContact O-N 3.22Å; V495-Y678 HydrophobicContact CG2-CE1 4.02Å
496E89.3Confident88.6Confident65 Ų6551.2 Ų51.230%0.30424%0.244SC..Hα-helixtrans-56-48.7175.9168.1164.6-176.900112.4N492 G500 L554 C556N492-E496 VanDerWaalsContact O-CB 3.3Å; N492-E496 WeakPolarHBondContact O-CB 3.13Å; N492-E496 PolarHBondContact O-N 2.99Å; E496-G500 PolarHBondContact O-N 3.18Å; E496-L554 WeakPolarHBondContact CG-O 3.3Å; E496-C556 HydrophobicContact CB-CB 3.9Å
497R88.2Confident88.7Confident144 Ų14447.8 Ų47.854%0.54322%0.223SC..Hα-helixtrans-65.9-51-178.5-171.1-171.9-57.7108.61.3112T493 H494 V495 R501T493-R497 WeakPolarHBondContact O-CB 3.43Å; T493-R497 PolarHBondContact O-N 3.12Å; T493-R497 VanDerWaalsContact O-N 3.13Å; H494-R497 PolarHBondContact O-N 2.72Å; V495-R497 PolarHBondContact O-N 3.49Å; R497-R501 VanDerWaalsContact O-CB 3.32Å; R497-R501 WeakPolarHBondContact O-CB 3.2Å; R497-R501 PolarHBondContact O-N 3.25Å
498E88.8Confident88.6Confident44 Ų4448.7 Ų48.721%0.20623%0.231CC..Hα-helixtrans-71.9-37.2-176-72.8-57.1128.100112L469 H494 R501 K502L469-E498 HydrophobicContact CD1-CB 3.68Å; L469-E498 HydrophobicContact CD2-CB 3.98Å; L469-E498 HydrophobicContact CG-CB 3.92Å; H494-E498 WeakPolarHBondContact O-CB 2.91Å; H494-E498 PolarHBondContact O-N 3.04Å; E498-R501 PolarHBondContact O-N 3.13Å; E498-R501 IonicContact OE1-NE 3.82Å; E498-R501 IonicContact OE2-CZ 3.58Å; E498-R501 IonicContact OE2-NE 2.83Å; E498-R501 PolarHBondContact OE2-NE 2.92Å; E498-R501 IonicContact OE2-NH2 3.08Å; E498-R501 PolarHBondContact OE2-NH2 3.43Å; E498-K502 WeakPolarHBondContact O-CB 3.43Å; E498-K502 WeakPolarHBondContact O-CG 3.5Å; E498-K502 PolarHBondContact O-N 3.31Å
499L89.3Confident88.5Confident0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-67-43.2176-173.563.7000110.8L459 E462 L469 V495 L503 L554 L686L459-L499 HydrophobicContact CD1-CD2 4.43Å; E462-L499 HydrophobicContact CB-CD1 3.52Å; L469-L499 HydrophobicContact CD1-CB 4.48Å; V495-L499 WeakPolarHBondContact O-CB 3.39Å; V495-L499 PolarHBondContact O-N 3.22Å; L499-L503 WeakPolarHBondContact O-CB 3.43Å; L499-L503 PolarHBondContact O-N 2.9Å; L499-L554 HydrophobicContact CB-CD1 4.24Å; L499-L554 HydrophobicContact CD2-CD1 3.85Å; L499-L554 HydrophobicContact CG-CD1 3.72Å; L499-L686 HydrophobicContact CD2-CD1 3.68Å; L499-L686 HydrophobicContact CD2-CD2 3.88Å; L499-L686 HydrophobicContact CD2-CG 4.43Å
500G88.3Confident88.5Confident12 Ų1247.1 Ų47.112%0.12424%0.241CC..Hα-helixtrans-62.1-44.317500000112.4E496 T504E496-G500 PolarHBondContact O-N 3.18Å; G500-T504 WeakPolarHBondContact O-CB 3.47Å; G500-T504 PolarHBondContact O-N 2.82Å; G500-T504 PolarHBondContact O-OG1 2.88Å
501R87.4Confident88.5Confident104 Ų10444.2 Ų44.239%0.39223%0.228SC..Hα-helixtrans-61.4-51.7176.2-173.3-176.367.879.64111.5R497 E498 L503 T504 E505R497-R501 VanDerWaalsContact O-CB 3.32Å; R497-R501 WeakPolarHBondContact O-CB 3.2Å; R497-R501 PolarHBondContact O-N 3.25Å; E498-R501 PolarHBondContact O-N 3.13Å; E498-R501 IonicContact OE1-NE 3.82Å; E498-R501 IonicContact OE2-CZ 3.58Å; E498-R501 IonicContact OE2-NE 2.83Å; E498-R501 PolarHBondContact OE2-NE 2.92Å; E498-R501 IonicContact OE2-NH2 3.08Å; E498-R501 PolarHBondContact OE2-NH2 3.43Å; R501-L503 PolarHBondContact O-N 3.32Å; R501-T504 PolarHBondContact O-N 3.44Å; R501-E505 WeakPolarHBondContact CG-OE1 3.2Å; R501-E505 IonicContact CZ-OE1 3.56Å; R501-E505 IonicContact CZ-OE2 3.74Å; R501-E505 IonicContact NH1-OE1 3.65Å; R501-E505 PolarHBondContact NH1-OE1 2.91Å; R501-E505 IonicContact NH1-OE2 2.73Å; R501-E505 PolarHBondContact NH1-OE2 3.03Å; R501-E505 WeakPolarHBondContact O-CG 3.49Å; R501-E505 PolarHBondContact O-N 3.14Å
502K88.8Confident88.5Confident61 Ų6146.8 Ų46.827%0.26524%0.241SC..Hα-helixtrans-65-37.9-179.9-73.9-165.6178.9-170.90112.9E462 E498 T504 E505 A506E462-K502 HydrophobicContact CG-CB 4.36Å; E462-K502 WeakPolarHBondContact OE2-CD 3.41Å; E498-K502 WeakPolarHBondContact O-CB 3.43Å; E498-K502 WeakPolarHBondContact O-CG 3.5Å; E498-K502 PolarHBondContact O-N 3.31Å; K502-T504 VanDerWaalsContact C-N 3.34Å; K502-E505 PolarHBondContact O-N 2.89Å; K502-A506 WeakPolarHBondContact O-CB 3.18Å; K502-A506 PolarHBondContact O-N 3.21Å
503L88.7Confident88.5Confident0 Ų051 Ų510%026%0.263CS..Hα-helixtrans-61.9-44.7173.918066000111.1A458 L459 L499 R501 A506 C507 F552 L554 T693A458-L503 HydrophobicContact CB-CD1 4.06Å; L459-L503 HydrophobicContact CB-CD1 3.87Å; L459-L503 HydrophobicContact CD1-CD1 4.45Å; L459-L503 HydrophobicContact CD1-CD2 4.28Å; L499-L503 WeakPolarHBondContact O-CB 3.43Å; L499-L503 PolarHBondContact O-N 2.9Å; R501-L503 PolarHBondContact O-N 3.32Å; L503-A506 PolarHBondContact O-N 3.28Å; L503-C507 WeakPolarHBondContact O-CB 3.5Å; L503-C507 PolarHBondContact O-N 3.43Å; L503-F552 HydrophobicContact CD2-CB 4.01Å; L503-F552 HydrophobicContact CD2-CD1 3.78Å; L503-F552 HydrophobicContact CD2-CE1 4.4Å; L503-F552 HydrophobicContact CD2-CG 3.89Å; L503-F552 HydrophobicContact CG-CD1 4.33Å; L503-F552 HydrophobicContact CG-CG 4.31Å; L503-L554 HydrophobicContact CD2-CD1 4.21Å; L503-T693 HydrophobicContact CD2-CG2 4.3Å
504T88.2Confident88.6Confident48 Ų4849 Ų4929%0.29425%0.251SS..Hα-helixtrans-62-46.1177-52.50000110.6G500 R501 K502 A506 C507 S508 F552G500-T504 WeakPolarHBondContact O-CB 3.47Å; G500-T504 PolarHBondContact O-N 2.82Å; G500-T504 PolarHBondContact O-OG1 2.88Å; R501-T504 PolarHBondContact O-N 3.44Å; K502-T504 VanDerWaalsContact C-N 3.34Å; T504-A506 VanDerWaalsContact C-N 3.34Å; T504-A506 PolarHBondContact O-N 3.3Å; T504-C507 PolarHBondContact O-N 3.2Å; T504-S508 WeakPolarHBondContact O-CA 2.86Å; T504-S508 WeakPolarHBondContact O-CB 3.31Å; T504-S508 PolarHBondContact O-N 3.03Å; T504-F552 HydrophobicContact CG2-CD2 4.37Å; T504-F552 HydrophobicContact CG2-CE2 4.45Å; T504-F552 WeakPolarHBondContact OG1-CD2 3.21Å
505E87Confident88.6Confident121 Ų12147.4 Ų47.457%0.56524%0.243SC*.Hα-helixtrans-63.2-37.8177-74170-173.200112.8R501 K502R501-E505 WeakPolarHBondContact CG-OE1 3.2Å; R501-E505 IonicContact CZ-OE1 3.56Å; R501-E505 IonicContact CZ-OE2 3.74Å; R501-E505 IonicContact NH1-OE1 3.65Å; R501-E505 PolarHBondContact NH1-OE1 2.91Å; R501-E505 IonicContact NH1-OE2 2.73Å; R501-E505 PolarHBondContact NH1-OE2 3.03Å; R501-E505 WeakPolarHBondContact O-CG 3.49Å; R501-E505 PolarHBondContact O-N 3.14Å; K502-E505 PolarHBondContact O-N 2.89Å
506A86.9Confident88.6Confident47 Ų4748.6 Ų48.639%0.38825%0.253SS..Hα-helixtrans-74.1-34.3-178.800000113.3A458 K502 L503 T504A458-A506 HydrophobicContact CB-CB 4.25Å; K502-A506 WeakPolarHBondContact O-CB 3.18Å; K502-A506 PolarHBondContact O-N 3.21Å; L503-A506 PolarHBondContact O-N 3.28Å; T504-A506 VanDerWaalsContact C-N 3.34Å; T504-A506 PolarHBondContact O-N 3.3Å
507C88.3Confident88.7Confident2 Ų249.6 Ų49.61%0.01425%0.254CS..Hα-helixtrans-107.7-27.6-172.3-650000114.9A458 L503 T504 S509 D510 I511 F552A458-C507 WeakPolarHBondContact CB-SG 3.25Å; L503-C507 WeakPolarHBondContact O-CB 3.5Å; L503-C507 PolarHBondContact O-N 3.43Å; T504-C507 PolarHBondContact O-N 3.2Å; C507-S509 PolarHBondContact O-N 2.84Å; C507-D510 PolarHBondContact O-N 3.22Å; C507-D510 VanDerWaalsContact O-N 3.08Å; C507-I511 HydrophobicContact CB-CD1 3.96Å; C507-I511 HydrophobicContact CB-CG1 4.4Å; C507-I511 WeakPolarHBondContact O-CG1 3.45Å; C507-I511 PolarHBondContact O-N 3.32Å; C507-F552 HydrophobicContact CB-CZ 4.04Å
508S86.7Confident88.9Confident29 Ų2942.7 Ų42.720%0.20323%0.228CC..Hα-helixtrans-58.5-47.8-165.9179.10000111.5T504 D510 I511 L512T504-S508 WeakPolarHBondContact O-CA 2.86Å; T504-S508 WeakPolarHBondContact O-CB 3.31Å; T504-S508 PolarHBondContact O-N 3.03Å; S508-D510 VanDerWaalsContact C-N 3.33Å; S508-D510 PolarHBondContact O-N 2.98Å; S508-I511 PolarHBondContact O-N 2.98Å; S508-L512 VanDerWaalsContact O-CB 3.28Å; S508-L512 WeakPolarHBondContact O-CB 3.45Å; S508-L512 WeakPolarHBondContact O-CD1 3.1Å; S508-L512 WeakPolarHBondContact O-CG 3.1Å; S508-L512 PolarHBondContact O-N 2.94Å; S508-L512 WeakPolarHBondContact OG-CD1 3.47Å
509S87.2Confident89.1Confident70 Ų7040.7 Ų40.749%0.4922%0.219SC..Hα-helixtrans-60.6-40.7177.7-173.80000112.7C507 N513C507-S509 PolarHBondContact O-N 2.84Å; S509-N513 WeakPolarHBondContact O-CB 3.36Å; S509-N513 PolarHBondContact O-N 3.16Å; S509-N513 PolarHBondContact O-ND2 3.1Å; S509-N513 PolarHBondContact OG-ND2 3.45Å
510D87.6Confident89.2Confident79 Ų7946.4 Ų46.442%0.42225%0.245SC..Hα-helixtrans-68.7-41.8-177.9-75.9-15.8000111.6C507 S508 E514C507-D510 PolarHBondContact O-N 3.22Å; C507-D510 VanDerWaalsContact O-N 3.08Å; S508-D510 VanDerWaalsContact C-N 3.33Å; S508-D510 PolarHBondContact O-N 2.98Å; D510-E514 WeakPolarHBondContact O-CB 3.45Å; D510-E514 PolarHBondContact O-N 3.07Å
511I89.6Confident89.4Confident1 Ų148.8 Ų48.81%0.00526%0.255CS..Hα-helixtrans-68-46.3176.9-60172.8000110.2V451 V455 C507 S508 N513 E514 V515 F548 P550 F552V451-I511 HydrophobicContact CG1-CD1 4.36Å; V451-I511 HydrophobicContact CG1-CG1 4.23Å; V451-I511 HydrophobicContact CG1-CG2 4.06Å; V451-I511 HydrophobicContact CG2-CG2 4.23Å; V455-I511 HydrophobicContact CG2-CD1 3.53Å; V455-I511 HydrophobicContact CG2-CG1 4.38Å; C507-I511 HydrophobicContact CB-CD1 3.96Å; C507-I511 HydrophobicContact CB-CG1 4.4Å; C507-I511 WeakPolarHBondContact O-CG1 3.45Å; C507-I511 PolarHBondContact O-N 3.32Å; S508-I511 PolarHBondContact O-N 2.98Å; I511-N513 VanDerWaalsContact C-N 3.32Å; I511-N513 PolarHBondContact O-N 3.47Å; I511-E514 PolarHBondContact O-N 3.44Å; I511-V515 HydrophobicContact CG2-CG2 4.22Å; I511-V515 WeakPolarHBondContact O-CB 3.42Å; I511-V515 WeakPolarHBondContact O-CG2 3.31Å; I511-V515 PolarHBondContact O-N 3.06Å; I511-F548 HydrophobicContact CG2-CE1 3.75Å; I511-F548 HydrophobicContact CG2-CZ 4.46Å; I511-P550 HydrophobicContact CD1-CB 4.38Å; I511-F552 HydrophobicContact CD1-CE1 4.33Å; I511-F552 HydrophobicContact CD1-CZ 3.66Å
512L89.9Confident89.7Confident54 Ų5443.8 Ų43.828%0.28324%0.236SC..Hα-helixtrans-57.9-46.4177.4-72.4170000110.9S508 E514 V515 A516 F548S508-L512 VanDerWaalsContact O-CB 3.28Å; S508-L512 WeakPolarHBondContact O-CB 3.45Å; S508-L512 WeakPolarHBondContact O-CD1 3.1Å; S508-L512 WeakPolarHBondContact O-CG 3.1Å; S508-L512 PolarHBondContact O-N 2.94Å; S508-L512 WeakPolarHBondContact OG-CD1 3.47Å; L512-E514 VanDerWaalsContact C-N 3.34Å; L512-E514 PolarHBondContact O-N 2.97Å; L512-V515 PolarHBondContact O-N 3.39Å; L512-A516 WeakPolarHBondContact O-CB 3.35Å; L512-A516 PolarHBondContact O-N 3.32Å; L512-F548 HydrophobicContact CD2-CD1 4Å; L512-F548 WeakPolarHBondContact CD2-O 3.43Å
513N89.6Confident89.9Confident99 Ų9941.5 Ų41.553%0.52923%0.226SC..Hα-helixtrans-62.7-41177.4-73.1-25.5000111.7S509 I511 R517S509-N513 WeakPolarHBondContact O-CB 3.36Å; S509-N513 PolarHBondContact O-N 3.16Å; S509-N513 PolarHBondContact O-ND2 3.1Å; S509-N513 PolarHBondContact OG-ND2 3.45Å; I511-N513 VanDerWaalsContact C-N 3.32Å; I511-N513 PolarHBondContact O-N 3.47Å; N513-R517 WeakPolarHBondContact O-CB 3.35Å; N513-R517 PolarHBondContact O-N 2.94Å
514E90.1Very high90.1Very high13 Ų1345.4 Ų45.46%0.06125%0.247CC..Hα-helixtrans-70.4-39.8-180-177.652.2-150.900112.6S447 R450 V451 D510 I511 L512 R517 C518S447-E514 WeakPolarHBondContact CA-OE1 3.37Å; S447-E514 VanDerWaalsContact CB-OE1 3.3Å; S447-E514 WeakPolarHBondContact CB-OE1 3.49Å; S447-E514 WeakPolarHBondContact OG-CG 3.4Å; S447-E514 PolarHBondContact OG-OE1 3.05Å; R450-E514 IonicContact CZ-OE1 2.85Å; R450-E514 IonicContact CZ-OE2 3.92Å; R450-E514 IonicContact NE-OE1 2.65Å; R450-E514 VanDerWaalsContact NH1-CD 3.32Å; R450-E514 IonicContact NH1-OE1 3.7Å; R450-E514 PolarHBondContact NH1-OE1 3.39Å; R450-E514 IonicContact NH1-OE2 3.61Å; R450-E514 PolarHBondContact NH1-OE2 3.15Å; R450-E514 IonicContact NH2-OE1 2.7Å; R450-E514 PolarHBondContact NH2-OE1 3.37Å; R450-E514 IonicContact NH2-OE2 3.52Å; V451-E514 HydrophobicContact CG2-CG 4.18Å; D510-E514 WeakPolarHBondContact O-CB 3.45Å; D510-E514 PolarHBondContact O-N 3.07Å; I511-E514 PolarHBondContact O-N 3.44Å; L512-E514 VanDerWaalsContact C-N 3.34Å; L512-E514 PolarHBondContact O-N 2.97Å; E514-R517 IonicContact OE1-CZ 3.51Å; E514-R517 IonicContact OE1-NE 3.27Å; E514-R517 IonicContact OE1-NH2 3.33Å; E514-R517 PolarHBondContact OE1-NH2 2.91Å; E514-R517 IonicContact OE2-CZ 3.52Å; E514-R517 IonicContact OE2-NE 3.73Å; E514-R517 PolarHBondContact OE2-NE 2.92Å; E514-R517 IonicContact OE2-NH2 3.89Å; E514-R517 PolarHBondContact OE2-NH2 3.37Å; E514-C518 WeakPolarHBondContact O-CB 3.3Å; E514-C518 PolarHBondContact O-N 3.47Å
515V91.5Very high90.3Very high2 Ų247.2 Ų47.21%0.01225%0.251CS..Hα-helixtrans-64.7-52.8173.9171.20000110.2I511 L512 R517 C518 E519 F548 A701 L705I511-V515 HydrophobicContact CG2-CG2 4.22Å; I511-V515 WeakPolarHBondContact O-CB 3.42Å; I511-V515 WeakPolarHBondContact O-CG2 3.31Å; I511-V515 PolarHBondContact O-N 3.06Å; L512-V515 PolarHBondContact O-N 3.39Å; V515-R517 VanDerWaalsContact C-N 3.31Å; V515-R517 PolarHBondContact O-N 3.19Å; V515-C518 WeakPolarHBondContact O-CA 3.3Å; V515-C518 WeakPolarHBondContact O-CB 3.45Å; V515-C518 PolarHBondContact O-N 3.05Å; V515-E519 HydrophobicContact CG1-CG 4.44Å; V515-E519 WeakPolarHBondContact O-CG 3.44Å; V515-E519 PolarHBondContact O-N 3.48Å; V515-F548 HydrophobicContact CB-CD1 4.28Å; V515-F548 HydrophobicContact CG1-CB 4.46Å; V515-F548 HydrophobicContact CG1-CD1 4.16Å; V515-F548 HydrophobicContact CG1-CG 4.33Å; V515-F548 HydrophobicContact CG2-CD1 4.05Å; V515-F548 HydrophobicContact CG2-CE1 3.98Å; V515-A701 HydrophobicContact CG2-CB 4.01Å; V515-L705 HydrophobicContact CG1-CD2 3.89Å; V515-L705 HydrophobicContact CG1-CG 4.31Å
516A90.3Very high90.7Very high25 Ų2541.4 Ų41.421%0.20722%0.224CC..Hα-helixtrans-59.4-40.2179.200000112.3L512 C518 E519 Q520 P545L512-A516 WeakPolarHBondContact O-CB 3.35Å; L512-A516 PolarHBondContact O-N 3.32Å; A516-C518 VanDerWaalsContact C-N 3.32Å; A516-C518 PolarHBondContact O-N 3.37Å; A516-E519 PolarHBondContact O-N 3.37Å; A516-Q520 WeakPolarHBondContact O-CB 3.44Å; A516-Q520 PolarHBondContact O-N 3.29Å; A516-P545 HydrophobicContact CB-CB 4.13Å
517R91.1Very high91Very high86 Ų8639.7 Ų39.733%0.32521%0.21SC..Hα-helixtrans-62-41.1174.5-173-166.171.265.518.4111.4N513 E514 V515 L521N513-R517 WeakPolarHBondContact O-CB 3.35Å; N513-R517 PolarHBondContact O-N 2.94Å; E514-R517 IonicContact OE1-CZ 3.51Å; E514-R517 IonicContact OE1-NE 3.27Å; E514-R517 IonicContact OE1-NH2 3.33Å; E514-R517 PolarHBondContact OE1-NH2 2.91Å; E514-R517 IonicContact OE2-CZ 3.52Å; E514-R517 IonicContact OE2-NE 3.73Å; E514-R517 PolarHBondContact OE2-NE 2.92Å; E514-R517 IonicContact OE2-NH2 3.89Å; E514-R517 PolarHBondContact OE2-NH2 3.37Å; V515-R517 VanDerWaalsContact C-N 3.31Å; V515-R517 PolarHBondContact O-N 3.19Å; R517-L521 HydrophobicContact CG-CD1 4.46Å; R517-L521 WeakPolarHBondContact O-CG 3.38Å; R517-L521 PolarHBondContact O-N 2.84Å; R517-L521 VanDerWaalsContact O-N 3.12Å
518C92.3Very high91.2Very high0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-66.9-45.1177.7-159.40000111E514 V515 A516 Q520 L521 M522 L705E514-C518 WeakPolarHBondContact O-CB 3.3Å; E514-C518 PolarHBondContact O-N 3.47Å; V515-C518 WeakPolarHBondContact O-CA 3.3Å; V515-C518 WeakPolarHBondContact O-CB 3.45Å; V515-C518 PolarHBondContact O-N 3.05Å; A516-C518 VanDerWaalsContact C-N 3.32Å; A516-C518 PolarHBondContact O-N 3.37Å; C518-Q520 PolarHBondContact O-N 2.88Å; C518-L521 PolarHBondContact O-N 2.98Å; C518-M522 WeakPolarHBondContact O-CG 3.48Å; C518-M522 PolarHBondContact O-N 2.61Å; C518-L705 HydrophobicContact CB-CD1 4.28Å; C518-L705 HydrophobicContact CB-CD2 3.8Å
519E92.1Very high91.5Very high2 Ų241.8 Ų41.81%0.00923%0.228CC..Hα-helixtrans-58.1-47174.7-70.1177.5155.600112.5V515 A516 L521 M522 M523 V543 L705 A708V515-E519 HydrophobicContact CG1-CG 4.44Å; V515-E519 WeakPolarHBondContact O-CG 3.44Å; V515-E519 PolarHBondContact O-N 3.48Å; A516-E519 PolarHBondContact O-N 3.37Å; E519-L521 VanDerWaalsContact C-N 3.33Å; E519-L521 PolarHBondContact O-N 3.39Å; E519-M522 HydrophobicContact CB-CE 4.39Å; E519-M522 HydrophobicContact CG-CE 4.01Å; E519-M522 WeakPolarHBondContact O-CB 3.35Å; E519-M522 PolarHBondContact O-N 3.32Å; E519-M522 VanDerWaalsContact O-N 3.16Å; E519-M523 HydrophobicContact CB-CE 4.25Å; E519-M523 WeakPolarHBondContact O-CG 3.44Å; E519-M523 PolarHBondContact O-N 2.66Å; E519-V543 HydrophobicContact CB-CG1 4.12Å; E519-V543 HydrophobicContact CG-CG1 4.03Å; E519-L705 HydrophobicContact CG-CD2 3.71Å; E519-A708 HydrophobicContact CG-CB 4.4Å
520Q91.4Very high91.7Very high120 Ų12038.7 Ų38.756%0.56121%0.206SC*.Hα-helixtrans-63.1-39.7178.7-166.6175.79.800112.3A516 C518 M523 N524A516-Q520 WeakPolarHBondContact O-CB 3.44Å; A516-Q520 PolarHBondContact O-N 3.29Å; C518-Q520 PolarHBondContact O-N 2.88Å; Q520-M523 PolarHBondContact O-N 3.43Å; Q520-N524 WeakPolarHBondContact O-CB 3.3Å; Q520-N524 VanDerWaalsContact O-CG 3.24Å; Q520-N524 PolarHBondContact O-N 2.86Å; Q520-N524 PolarHBondContact O-ND2 2.85Å
521L92.2Very high91.5Very high61 Ų6138 Ų3832%0.31921%0.208SC..Hα-helixtrans-66.9-39.2173.9-75.6168.7000112.2M443 R517 C518 E519 K525M443-L521 HydrophobicContact CE-CB 3.9Å; M443-L521 HydrophobicContact SD-CB 3.58Å; M443-L521 VanDerWaalsContact SD-CB 3.58Å; M443-L521 HydrophobicContact SD-CD1 3.7Å; M443-L521 HydrophobicContact SD-CG 4.28Å; R517-L521 HydrophobicContact CG-CD1 4.46Å; R517-L521 WeakPolarHBondContact O-CG 3.38Å; R517-L521 PolarHBondContact O-N 2.84Å; R517-L521 VanDerWaalsContact O-N 3.12Å; C518-L521 PolarHBondContact O-N 2.98Å; E519-L521 VanDerWaalsContact C-N 3.33Å; E519-L521 PolarHBondContact O-N 3.39Å; L521-K525 WeakPolarHBondContact O-CB 3.2Å; L521-K525 VanDerWaalsContact O-CG 3.31Å; L521-K525 WeakPolarHBondContact O-CG 3.29Å; L521-K525 PolarHBondContact O-N 3.35Å
522M93.6Very high91.4Very high0 Ų040.8 Ų40.80%022%0.222CC..Hα-helixtrans-61.3-48.9174-71.3-171.9-65.600110.7V440 M443 L444 C518 E519 N524 K525 H526 L705 A708 H709 L712V440-M522 HydrophobicContact CG1-CG 3.68Å; V440-M522 HydrophobicContact CG1-SD 3.6Å; V440-M522 VanDerWaalsContact CG1-SD 3.6Å; V440-M522 HydrophobicContact CG2-CG 4.18Å; M443-M522 HydrophobicContact CE-CB 4.49Å; M443-M522 HydrophobicContact CE-CG 3.47Å; M443-M522 VanDerWaalsContact CE-CG 3.47Å; L444-M522 HydrophobicContact CD2-CE 4.48Å; L444-M522 HydrophobicContact CD2-SD 4Å; L444-M522 HydrophobicContact CG-SD 4.47Å; C518-M522 WeakPolarHBondContact O-CG 3.48Å; C518-M522 PolarHBondContact O-N 2.61Å; E519-M522 HydrophobicContact CB-CE 4.39Å; E519-M522 HydrophobicContact CG-CE 4.01Å; E519-M522 WeakPolarHBondContact O-CB 3.35Å; E519-M522 PolarHBondContact O-N 3.32Å; E519-M522 VanDerWaalsContact O-N 3.16Å; M522-N524 PolarHBondContact O-N 3.41Å; M522-K525 PolarHBondContact O-N 2.87Å; M522-H526 PolarHBondContact O-N 3.24Å; M522-H526 PolarHBondContact O-ND1 3.46Å; M522-L705 HydrophobicContact CE-CB 4.38Å; M522-L705 HydrophobicContact CE-CD2 3.73Å; M522-A708 HydrophobicContact CE-CB 4.01Å; M522-H709 HydrophobicContact SD-CB 3.85Å; M522-L712 HydrophobicContact CB-CD1 3.75Å
523M93Very high91.3Very high13 Ų1343.5 Ų43.56%0.06423%0.234CC..Hα-helixtrans-55.9-50.6177.5-74.7-172.4-92.100111.5E519 Q520 K525 H526 A527 L540 V543 L712E519-M523 HydrophobicContact CB-CE 4.25Å; E519-M523 WeakPolarHBondContact O-CG 3.44Å; E519-M523 PolarHBondContact O-N 2.66Å; Q520-M523 PolarHBondContact O-N 3.43Å; M523-K525 PolarHBondContact O-N 2.9Å; M523-H526 PolarHBondContact O-N 3.37Å; M523-A527 VanDerWaalsContact O-CB 3.32Å; M523-A527 WeakPolarHBondContact O-CB 3.48Å; M523-A527 PolarHBondContact O-N 3.15Å; M523-L540 HydrophobicContact CB-CD2 4.33Å; M523-V543 HydrophobicContact CE-CB 3.98Å; M523-V543 HydrophobicContact CE-CG1 4.4Å; M523-V543 HydrophobicContact CG-CB 4.41Å; M523-V543 HydrophobicContact CG-CG2 4.32Å; M523-V543 HydrophobicContact SD-CB 3.88Å; M523-V543 HydrophobicContact SD-CG2 4.36Å; M523-L712 HydrophobicContact CG-CD1 4Å; M523-L712 HydrophobicContact CG-CD2 3.93Å
524N92.8Very high91.3Very high82 Ų8241.4 Ų41.444%0.43923%0.23SC..Hα-helixtrans-62.2-40.9179.7-71.5-23000112.6Q520 M522 A528Q520-N524 WeakPolarHBondContact O-CB 3.3Å; Q520-N524 VanDerWaalsContact O-CG 3.24Å; Q520-N524 PolarHBondContact O-N 2.86Å; Q520-N524 PolarHBondContact O-ND2 2.85Å; M522-N524 PolarHBondContact O-N 3.41Å; N524-A528 WeakPolarHBondContact O-CB 3.42Å; N524-A528 PolarHBondContact O-N 3.35Å; N524-A528 VanDerWaalsContact O-N 3.11Å
525K93.4Very high91.2Very high85 Ų8540.8 Ų40.837%0.3723%0.227SC..Hα-helixtrans-65.5-42.1177.7-78.6-179.8175-69.70112.1T436 V440 L521 M522 M523 A528T436-K525 HydrophobicContact CG2-CB 3.81Å; V440-K525 HydrophobicContact CG2-CD 4.09Å; L521-K525 WeakPolarHBondContact O-CB 3.2Å; L521-K525 VanDerWaalsContact O-CG 3.31Å; L521-K525 WeakPolarHBondContact O-CG 3.29Å; L521-K525 PolarHBondContact O-N 3.35Å; M522-K525 PolarHBondContact O-N 2.87Å; M523-K525 PolarHBondContact O-N 2.9Å; K525-A528 PolarHBondContact O-N 2.81Å
526H94.4Very high91.2Very high0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-70.4-40.9177.5-70.778.8000111.7M522 M523 A528 I529 I539 H709 L712 S713 V716M522-H526 PolarHBondContact O-N 3.24Å; M522-H526 PolarHBondContact O-ND1 3.46Å; M523-H526 PolarHBondContact O-N 3.37Å; H526-A528 PolarHBondContact O-N 2.8Å; H526-I529 WeakPolarHBondContact O-CB 3.45Å; H526-I529 PolarHBondContact O-N 3.45Å; H526-I539 HydrophobicContact CB-CG2 4Å; H526-H709 AromaticContact CE1-CE1 3.6Å; H526-H709 AromaticContact CE1-ND1 3.28Å; H526-H709 PolarHBondContact CE1-ND1 2.82Å; H526-H709 VanDerWaalsContact CE1-ND1 3.28Å; H526-H709 AromaticContact NE2-CE1 3.37Å; H526-H709 PolarHBondContact NE2-CE1 3.2Å; H526-H709 AromaticContact NE2-ND1 3.3Å; H526-H709 PolarHBondContact NE2-ND1 3.44Å; H526-L712 HydrophobicContact CB-CB 4.28Å; H526-S713 PolarHBondContact NE2-OG 3.21Å; H526-V716 HydrophobicContact CB-CG2 4.16Å
527A93.5Very high91.2Very high11 Ų1145.8 Ų45.89%0.09125%0.248CC..Hα-helixtrans-61.7-30.917700000112.4M523 I529 K536 I539 L540M523-A527 VanDerWaalsContact O-CB 3.32Å; M523-A527 WeakPolarHBondContact O-CB 3.48Å; M523-A527 PolarHBondContact O-N 3.15Å; A527-I529 PolarHBondContact O-N 2.72Å; A527-K536 WeakPolarHBondContact O-CG 3.36Å; A527-I539 HydrophobicContact CB-CG2 4.07Å; A527-L540 HydrophobicContact CB-CD2 4.31Å; A527-L540 HydrophobicContact CB-CG 4.45Å
528A93.4Very high91.2Very high69 Ų6947.4 Ų47.457%0.5725%0.254SS*.THydrogen-bonded Turntrans-71.2-13.1176.600000114.4N524 K525 H526N524-A528 WeakPolarHBondContact O-CB 3.42Å; N524-A528 PolarHBondContact O-N 3.35Å; N524-A528 VanDerWaalsContact O-N 3.11Å; K525-A528 PolarHBondContact O-N 2.81Å; H526-A528 PolarHBondContact O-N 2.8Å
529I93.2Very high91.1Very high5 Ų547.4 Ų47.43%0.02625%0.254CS..THydrogen-bonded Turntrans-75.2-41.6177.6-59.6166000110.6V429 R432 L433 T436 H526 A527 V716V429-I529 HydrophobicContact CG1-CG2 4.05Å; R432-I529 HydrophobicContact CB-CG1 4.33Å; R432-I529 HydrophobicContact CB-CG2 3.88Å; L433-I529 HydrophobicContact CB-CD1 4.34Å; L433-I529 HydrophobicContact CD1-CD1 3.95Å; T436-I529 HydrophobicContact CG2-CD1 3.98Å; H526-I529 WeakPolarHBondContact O-CB 3.45Å; H526-I529 PolarHBondContact O-N 3.45Å; A527-I529 PolarHBondContact O-N 2.72Å; I529-V716 HydrophobicContact CB-CG1 4.32Å; I529-V716 HydrophobicContact CD1-CG1 4.17Å; I529-V716 HydrophobicContact CD1-CG2 4.37Å; I529-V716 HydrophobicContact CG2-CG1 3.85Å
530V90.7Very high90.9Very high5 Ų551.1 Ų51.13%0.0327%0.273CS..  trans-88.9142.4-168.7-176.10000110.5D532 C535 K536 I539 V716 F719V530-D532 HydrophobicContact CG1-CB 3.97Å; V530-C535 HydrophobicContact CG1-CB 3.7Å; V530-K536 WeakPolarHBondContact O-CE 3.14Å; V530-I539 HydrophobicContact CG2-CD1 4.09Å; V530-V716 HydrophobicContact CG2-CG1 4.16Å; V530-V716 HydrophobicContact CG2-CG2 4.14Å; V530-F719 HydrophobicContact CB-CD1 4.4Å; V530-F719 HydrophobicContact CG1-CD1 3.7Å; V530-F719 HydrophobicContact CG1-CD2 3.93Å; V530-F719 HydrophobicContact CG1-CE1 3.68Å; V530-F719 HydrophobicContact CG1-CE2 3.92Å; V530-F719 HydrophobicContact CG1-CG 3.82Å; V530-F719 HydrophobicContact CG1-CZ 3.8Å; V530-F719 HydrophobicContact CG2-CD1 4.06Å; V530-F719 HydrophobicContact CG2-CG 4.38Å
531S84.5Confident90.8Very high66 Ų6653 Ų5346%0.46228%0.282SS..  trans-85.5-36175.151.20000112H425 E533H425-S531 PolarHBondContact CE1-OG 3.25Å; H425-S531 PolarHBondContact NE2-OG 3.17Å; S531-E533 PolarHBondContact O-N 3.42Å
532D86.8Confident90.5Very high58 Ų5853.1 Ų53.131%0.3128%0.283SS..  trans-66.2122.7-179175.145.6000113.4V530 A534 C535 K536 R538 F719V530-D532 HydrophobicContact CG1-CB 3.97Å; D532-A534 VanDerWaalsContact C-N 3.32Å; D532-A534 PolarHBondContact O-N 3.06Å; D532-A534 PolarHBondContact OD1-N 3.11Å; D532-A534 WeakPolarHBondContact OD2-CB 3.37Å; D532-A534 PolarHBondContact OD2-N 3.49Å; D532-C535 HydrophobicContact CB-CB 4.17Å; D532-C535 PolarHBondContact O-N 3.39Å; D532-C535 VanDerWaalsContact OD2-CB 3.29Å; D532-C535 WeakPolarHBondContact OD2-CB 3.36Å; D532-C535 PolarHBondContact OD2-N 3.1Å; D532-K536 WeakPolarHBondContact O-CG 3.34Å; D532-K536 PolarHBondContact O-N 2.67Å; D532-R538 IonicContact OD2-NH2 2.9Å; D532-F719 HydrophobicContact CB-CD2 4.36Å; D532-F719 HydrophobicContact CB-CE2 3.65Å; D532-F719 HydrophobicContact CB-CZ 4.21Å
533E88Confident90Very high112 Ų11253.9 Ų53.952%0.52329%0.287SS..Hα-helixtrans-67.2-31179.7-71.8-57.4140.400112.8S531 K536 N537S531-E533 PolarHBondContact O-N 3.42Å; E533-K536 PolarHBondContact O-N 2.86Å; E533-K536 IonicContact OE1-NZ 3.25Å; E533-K536 PolarHBondContact OE1-NZ 2.97Å; E533-N537 PolarHBondContact O-N 2.7Å; E533-N537 PolarHBondContact O-ND2 3.2Å
534A88.7Confident89.5Confident54 Ų5457.5 Ų57.545%0.44631%0.307SS..Hα-helixtrans-69.5-41178.400000111.5D532 R538D532-A534 VanDerWaalsContact C-N 3.32Å; D532-A534 PolarHBondContact O-N 3.06Å; D532-A534 PolarHBondContact OD1-N 3.11Å; D532-A534 WeakPolarHBondContact OD2-CB 3.37Å; D532-A534 PolarHBondContact OD2-N 3.49Å; A534-R538 WeakPolarHBondContact O-CG 2.93Å; A534-R538 PolarHBondContact O-N 3.05Å; A534-R538 PolarHBondContact O-NE 3.2Å
535C89Confident88.5Confident1 Ų156.7 Ų56.71%0.00731%0.306CS..Hα-helixtrans-65.7-44172.7-1740000111.9V530 D532 N537 R538 I539 F719V530-C535 HydrophobicContact CG1-CB 3.7Å; D532-C535 HydrophobicContact CB-CB 4.17Å; D532-C535 PolarHBondContact O-N 3.39Å; D532-C535 VanDerWaalsContact OD2-CB 3.29Å; D532-C535 WeakPolarHBondContact OD2-CB 3.36Å; D532-C535 PolarHBondContact OD2-N 3.1Å; C535-N537 VanDerWaalsContact C-N 3.32Å; C535-N537 PolarHBondContact O-N 3.4Å; C535-R538 WeakPolarHBondContact O-CB 2.87Å; C535-R538 PolarHBondContact O-N 3.31Å; C535-R538 VanDerWaalsContact O-N 3.14Å; C535-I539 WeakPolarHBondContact O-CG1 3.21Å; C535-I539 PolarHBondContact O-N 3.29Å; C535-F719 HydrophobicContact CB-CD2 4.35Å
536K91.6Very high87.6Confident50 Ų5057.9 Ų57.922%0.21732%0.321CS..Hα-helixtrans-54.5-46.9174.8-74.2178.7-166.8168.10112.5A527 V530 D532 E533 R538 I539 L540A527-K536 WeakPolarHBondContact O-CG 3.36Å; V530-K536 WeakPolarHBondContact O-CE 3.14Å; D532-K536 WeakPolarHBondContact O-CG 3.34Å; D532-K536 PolarHBondContact O-N 2.67Å; E533-K536 PolarHBondContact O-N 2.86Å; E533-K536 IonicContact OE1-NZ 3.25Å; E533-K536 PolarHBondContact OE1-NZ 2.97Å; K536-R538 VanDerWaalsContact C-N 3.33Å; K536-R538 PolarHBondContact O-N 3.12Å; K536-I539 WeakPolarHBondContact O-CB 3.33Å; K536-I539 PolarHBondContact O-N 3.46Å; K536-L540 WeakPolarHBondContact O-CG 3.34Å; K536-L540 PolarHBondContact O-N 3.35Å
537N90.3Very high86.8Confident81 Ų8161 Ų6143%0.43335%0.346SS..Hα-helixtrans-63.7-38.2179.6-75.2-44.7000112.5E533 C535 L540 Q541E533-N537 PolarHBondContact O-N 2.7Å; E533-N537 PolarHBondContact O-ND2 3.2Å; C535-N537 VanDerWaalsContact C-N 3.32Å; C535-N537 PolarHBondContact O-N 3.4Å; N537-L540 PolarHBondContact O-N 3.02Å; N537-Q541 WeakPolarHBondContact O-CG 3.21Å; N537-Q541 PolarHBondContact O-N 3.1Å
538R89.8Confident86.3Confident121 Ų12161.2 Ų61.246%0.45735%0.345SS..Hα-helixtrans-62.4-44.9173.3-74.9177.8-79.3162.9-12.2111.8D532 A534 C535 K536 L540 Q541 L542 E715D532-R538 IonicContact OD2-NH2 2.9Å; A534-R538 WeakPolarHBondContact O-CG 2.93Å; A534-R538 PolarHBondContact O-N 3.05Å; A534-R538 PolarHBondContact O-NE 3.2Å; C535-R538 WeakPolarHBondContact O-CB 2.87Å; C535-R538 PolarHBondContact O-N 3.31Å; C535-R538 VanDerWaalsContact O-N 3.14Å; K536-R538 VanDerWaalsContact C-N 3.33Å; K536-R538 PolarHBondContact O-N 3.12Å; R538-L540 VanDerWaalsContact C-N 3.31Å; R538-L540 PolarHBondContact O-N 3.34Å; R538-Q541 PolarHBondContact O-N 3.08Å; R538-Q541 VanDerWaalsContact O-N 3.14Å; R538-L542 VanDerWaalsContact O-CG 3.32Å; R538-L542 WeakPolarHBondContact O-CG 3.4Å; R538-L542 PolarHBondContact O-N 2.86Å; R538-E715 IonicContact CZ-OE1 3.5Å; R538-E715 IonicContact NE-OE1 3.75Å; R538-E715 IonicContact NH1-OE1 3.53Å; R538-E715 PolarHBondContact NH1-OE1 2.94Å
539I90.6Very high85.7Confident0 Ų063.1 Ų63.10%035%0.35CS..Hα-helixtrans-57.7-43.1177.1-67.7170.9000111.5H526 A527 V530 C535 K536 Q541 L542 L712 E715 V716H526-I539 HydrophobicContact CB-CG2 4Å; A527-I539 HydrophobicContact CB-CG2 4.07Å; V530-I539 HydrophobicContact CG2-CD1 4.09Å; C535-I539 WeakPolarHBondContact O-CG1 3.21Å; C535-I539 PolarHBondContact O-N 3.29Å; K536-I539 WeakPolarHBondContact O-CB 3.33Å; K536-I539 PolarHBondContact O-N 3.46Å; I539-Q541 PolarHBondContact O-N 2.76Å; I539-L542 PolarHBondContact O-N 2.99Å; I539-L712 HydrophobicContact CG2-CD2 3.76Å; I539-L712 WeakPolarHBondContact O-CD2 3.29Å; I539-E715 HydrophobicContact CG1-CB 4.35Å; I539-E715 HydrophobicContact CG1-CG 4.05Å; I539-V716 HydrophobicContact CD1-CG2 3.78Å
540L89.1Confident85.2Confident79 Ų7963.5 Ų63.541%0.41435%0.353SS..Hα-helixtrans-71.4-14.7-179.4-67.3174000114.3M523 A527 K536 N537 R538M523-L540 HydrophobicContact CB-CD2 4.33Å; A527-L540 HydrophobicContact CB-CD2 4.31Å; A527-L540 HydrophobicContact CB-CG 4.45Å; K536-L540 WeakPolarHBondContact O-CG 3.34Å; K536-L540 PolarHBondContact O-N 3.35Å; N537-L540 PolarHBondContact O-N 3.02Å; R538-L540 VanDerWaalsContact C-N 3.31Å; R538-L540 PolarHBondContact O-N 3.34Å
541Q88.4Confident84.8Confident160 Ų16069.1 Ų69.175%0.74838%0.378SS*.Hα-helixtrans-106.6-5.8-179.4-66.7176.614.300113.4N537 R538 I539 V543N537-Q541 WeakPolarHBondContact O-CG 3.21Å; N537-Q541 PolarHBondContact O-N 3.1Å; R538-Q541 PolarHBondContact O-N 3.08Å; R538-Q541 VanDerWaalsContact O-N 3.14Å; I539-Q541 PolarHBondContact O-N 2.76Å; Q541-V543 PolarHBondContact O-N 3.36Å
542L86.3Confident84.7Confident64 Ų6466.9 Ų66.934%0.33536%0.361SS..SBendtrans-74.2-21.5-171-97.7161000114.5R538 I539 L712 E715R538-L542 VanDerWaalsContact O-CG 3.32Å; R538-L542 WeakPolarHBondContact O-CG 3.4Å; R538-L542 PolarHBondContact O-N 2.86Å; I539-L542 PolarHBondContact O-N 2.99Å; L542-L712 HydrophobicContact CB-CD2 4.26Å; L542-E715 HydrophobicContact CD1-CB 3.74Å; L542-E715 HydrophobicContact CD1-CG 3.79Å
543V83.8Confident84.3Confident15 Ų1571.1 Ų71.19%0.09138%0.378CS..  trans-121.1123.5-175.1-175.30000109.4E519 M523 Q541 P545 A708 L712E519-V543 HydrophobicContact CB-CG1 4.12Å; E519-V543 HydrophobicContact CG-CG1 4.03Å; M523-V543 HydrophobicContact CE-CB 3.98Å; M523-V543 HydrophobicContact CE-CG1 4.4Å; M523-V543 HydrophobicContact CG-CB 4.41Å; M523-V543 HydrophobicContact CG-CG2 4.32Å; M523-V543 HydrophobicContact SD-CB 3.88Å; M523-V543 HydrophobicContact SD-CG2 4.36Å; Q541-V543 PolarHBondContact O-N 3.36Å; V543-P545 WeakPolarHBondContact O-CD 3.43Å; V543-A708 HydrophobicContact CG1-CB 4.05Å; V543-A708 HydrophobicContact CG2-CB 4.02Å; V543-L712 HydrophobicContact CG2-CD1 4.25Å; V543-L712 HydrophobicContact CG2-CD2 4.09Å; V543-L712 HydrophobicContact CG2-CG 4.13Å
544D80.6Confident83.9Confident90 Ų9066 Ų6648%0.48135%0.354SS..  trans-94.8111.6174.6-179.3-5.3000109.7T546 A547D544-T546 VanDerWaalsContact CG-OG1 3.32Å; D544-T546 PolarHBondContact O-N 2.77Å; D544-T546 WeakPolarHBondContact OD1-CB 3.35Å; D544-T546 PolarHBondContact OD1-N 3.11Å; D544-T546 PolarHBondContact OD1-OG1 3.35Å; D544-T546 PolarHBondContact OD2-OG1 2.88Å; D544-A547 PolarHBondContact O-N 3.43Å
545P73.2Confident83.5Confident64 Ų6466.8 Ų66.842%0.41635%0.351SS..THydrogen-bonded Turntrans-63.7-13.9-178.4-19.431.7000114.4A516 V543A516-P545 HydrophobicContact CB-CB 4.13Å; V543-P545 WeakPolarHBondContact O-CD 3.43Å
546T74.9Confident83Confident111 Ų11166.8 Ų66.868%0.68135%0.351SS*.THydrogen-bonded Turntrans-92.9-5.4-175.866.80000114D544 F548D544-T546 VanDerWaalsContact CG-OG1 3.32Å; D544-T546 PolarHBondContact O-N 2.77Å; D544-T546 WeakPolarHBondContact OD1-CB 3.35Å; D544-T546 PolarHBondContact OD1-N 3.11Å; D544-T546 PolarHBondContact OD1-OG1 3.35Å; D544-T546 PolarHBondContact OD2-OG1 2.88Å; T546-F548 VanDerWaalsContact C-N 3.34Å; T546-F548 PolarHBondContact O-N 3.33Å
547A76.3Confident82.3Confident64 Ų6470.8 Ų70.853%0.52937%0.365SS..SBendtrans-73.4-23.2-175.200000113.9D544D544-A547 PolarHBondContact O-N 3.43Å
548F83.2Confident81.9Confident16 Ų1672.1 Ų72.17%0.0737%0.372CS..  trans-85.3128.2-177-176.2-112.5000111.5I511 L512 V515 T546 P550 Q700 A701 E704I511-F548 HydrophobicContact CG2-CE1 3.75Å; I511-F548 HydrophobicContact CG2-CZ 4.46Å; L512-F548 HydrophobicContact CD2-CD1 4Å; L512-F548 WeakPolarHBondContact CD2-O 3.43Å; V515-F548 HydrophobicContact CB-CD1 4.28Å; V515-F548 HydrophobicContact CG1-CB 4.46Å; V515-F548 HydrophobicContact CG1-CD1 4.16Å; V515-F548 HydrophobicContact CG1-CG 4.33Å; V515-F548 HydrophobicContact CG2-CD1 4.05Å; V515-F548 HydrophobicContact CG2-CE1 3.98Å; T546-F548 VanDerWaalsContact C-N 3.34Å; T546-F548 PolarHBondContact O-N 3.33Å; F548-P550 HydrophobicContact CE1-CB 4.2Å; F548-P550 HydrophobicContact CZ-CB 4.32Å; F548-Q700 HydrophobicContact CE2-CB 4.2Å; F548-Q700 HydrophobicContact CZ-CB 4.3Å; F548-A701 HydrophobicContact CZ-CB 4.29Å; F548-E704 HydrophobicContact CB-CG 4.18Å; F548-E704 HydrophobicContact CD2-CB 3.86Å; F548-E704 HydrophobicContact CD2-CG 4Å; F548-E704 HydrophobicContact CE2-CB 4.34Å; F548-E704 HydrophobicContact CG-CG 4.36Å
549T81.7Confident81.4Confident109 Ų10968.2 Ų68.267%0.66936%0.36SS*.  trans-131.1117.5170.554.30000110E551T549-E551 PolarHBondContact O-N 3.29Å
550P81.2Confident81.1Confident13 Ų1368.5 Ų68.58%0.08436%0.362CS..  trans-73.3128.8-178.927.9-32.5000111.2I511 F548 F552I511-P550 HydrophobicContact CD1-CB 4.38Å; F548-P550 HydrophobicContact CE1-CB 4.2Å; F548-P550 HydrophobicContact CZ-CB 4.32Å; P550-F552 HydrophobicContact CB-CE2 4.02Å; P550-F552 HydrophobicContact CB-CZ 4.1Å; P550-F552 HydrophobicContact CG-CE2 4.31Å
551E82.5Confident80.6Confident123 Ų12367.8 Ų67.858%0.57537%0.367SS*.  trans-111.6123.9179.1-169.2172.7-15900110.9T549 H553 Q700T549-E551 PolarHBondContact O-N 3.29Å; E551-H553 IonicContact OE1-CE1 3.55Å; E551-H553 IonicContact OE1-NE2 3.95Å; E551-Q700 PolarHBondContact O-NE2 2.84Å
552F82.1Confident80.3Confident20 Ų2066.5 Ų66.59%0.08837%0.365CS..  trans-112.1118.1-178.6-57.4-80.5000111V455 L503 T504 C507 I511 P550 T693 A697V455-F552 HydrophobicContact CG1-CE1 3.99Å; V455-F552 HydrophobicContact CG2-CE1 3.92Å; V455-F552 HydrophobicContact CG2-CZ 4.32Å; L503-F552 HydrophobicContact CD2-CB 4.01Å; L503-F552 HydrophobicContact CD2-CD1 3.78Å; L503-F552 HydrophobicContact CD2-CE1 4.4Å; L503-F552 HydrophobicContact CD2-CG 3.89Å; L503-F552 HydrophobicContact CG-CD1 4.33Å; L503-F552 HydrophobicContact CG-CG 4.31Å; T504-F552 HydrophobicContact CG2-CD2 4.37Å; T504-F552 HydrophobicContact CG2-CE2 4.45Å; T504-F552 WeakPolarHBondContact OG1-CD2 3.21Å; C507-F552 HydrophobicContact CB-CZ 4.04Å; I511-F552 HydrophobicContact CD1-CE1 4.33Å; I511-F552 HydrophobicContact CD1-CZ 3.66Å; P550-F552 HydrophobicContact CB-CE2 4.02Å; P550-F552 HydrophobicContact CB-CZ 4.1Å; P550-F552 HydrophobicContact CG-CE2 4.31Å; F552-T693 HydrophobicContact CD1-CG2 4.25Å; F552-A697 HydrophobicContact CE1-CB 4.07Å
553H78.3Confident80.3Confident146 Ų14663.9 Ų63.968%0.67635%0.352SS*.  trans-106.7124.7173-79.5-57.9000111.6E551E551-H553 IonicContact OE1-CE1 3.55Å; E551-H553 IonicContact OE1-NE2 3.95Å
554L80.3Confident80.2Confident5 Ų573.5 Ų73.53%0.02639%0.386CS..  trans-127.593.8179.4-66.2173.3000110.4L459 E496 L499 L503 C556 I689 T693L459-L554 HydrophobicContact CD1-CD1 4.44Å; E496-L554 WeakPolarHBondContact CG-O 3.3Å; L499-L554 HydrophobicContact CB-CD1 4.24Å; L499-L554 HydrophobicContact CD2-CD1 3.85Å; L499-L554 HydrophobicContact CG-CD1 3.72Å; L503-L554 HydrophobicContact CD2-CD1 4.21Å; L554-C556 VanDerWaalsContact C-N 3.29Å; L554-C556 PolarHBondContact O-N 3.17Å; L554-I689 HydrophobicContact CD2-CD1 3.68Å; L554-T693 HydrophobicContact CD2-CG2 4.32Å
555D80.3Confident80.3Confident71 Ų7171.8 Ų71.838%0.3838%0.375SS..  trans-79.173.5-177.9-173.9-6.4000112.4R557 N558 L559D555-R557 PolarHBondContact O-N 3.43Å; D555-R557 PolarHBondContact OD1-N 2.82Å; D555-N558 PolarHBondContact O-N 2.63Å; D555-N558 PolarHBondContact OD1-N 2.8Å; D555-N558 WeakPolarHBondContact OD2-CB 3.43Å; D555-N558 PolarHBondContact OD2-ND2 2.88Å; D555-L559 WeakPolarHBondContact O-CB 3.47Å; D555-L559 VanDerWaalsContact O-CD1 3.22Å; D555-L559 WeakPolarHBondContact O-CD1 3.42Å; D555-L559 WeakPolarHBondContact O-CG 3.49Å; D555-L559 PolarHBondContact O-N 2.92Å; D555-L559 VanDerWaalsContact O-N 3.1Å
556C77.9Confident80.6Confident1 Ų171.4 Ų71.41%0.00737%0.37CS..Hα-helixtrans-66-24.1-178.8-60.40000111.8E496 L554 C560E496-C556 HydrophobicContact CB-CB 3.9Å; L554-C556 VanDerWaalsContact C-N 3.29Å; L554-C556 PolarHBondContact O-N 3.17Å; C556-C560 WeakPolarHBondContact O-CB 3.42Å; C556-C560 PolarHBondContact O-N 2.84Å; C556-C560 PolarHBondContact O-SG 2.99Å
557R78.1Confident80.9Confident134 Ų13467.3 Ų67.351%0.50634%0.344SS..Hα-helixtrans-62-48.6177.4-179.5-179.8175.1-177.8-4.4111.5D555 A561D555-R557 PolarHBondContact O-N 3.43Å; D555-R557 PolarHBondContact OD1-N 2.82Å; R557-A561 PolarHBondContact O-N 2.8Å
558N80.7Confident81Confident109 Ų10971.3 Ų71.358%0.58335%0.351SS*.Hα-helixtrans-77.7-38.9178.8-74.1-26.5000111.8D555 C560 A561D555-N558 PolarHBondContact O-N 2.63Å; D555-N558 PolarHBondContact OD1-N 2.8Å; D555-N558 WeakPolarHBondContact OD2-CB 3.43Å; D555-N558 PolarHBondContact OD2-ND2 2.88Å; N558-C560 PolarHBondContact O-N 3.36Å; N558-A561 WeakPolarHBondContact O-CB 3.4Å; N558-A561 PolarHBondContact O-N 3.3Å
559L80.3Confident80.7Confident39 Ų3972.2 Ų72.220%0.20436%0.355CS..Hα-helixtrans-58.3-38.5176.7-77.4156.4000112.5D555 K685 L686 I689D555-L559 WeakPolarHBondContact O-CB 3.47Å; D555-L559 VanDerWaalsContact O-CD1 3.22Å; D555-L559 WeakPolarHBondContact O-CD1 3.42Å; D555-L559 WeakPolarHBondContact O-CG 3.49Å; D555-L559 PolarHBondContact O-N 2.92Å; D555-L559 VanDerWaalsContact O-N 3.1Å; L559-K685 HydrophobicContact CD2-CB 4.42Å; L559-L686 HydrophobicContact CD1-CD2 4.42Å; L559-I689 HydrophobicContact CD1-CD1 3.59Å; L559-I689 HydrophobicContact CD1-CG1 4.3Å; L559-I689 HydrophobicContact CD1-CG2 4.29Å; L559-I689 HydrophobicContact CD2-CG2 3.62Å
560C83.1Confident80.4Confident5 Ų574.5 Ų74.53%0.03435%0.352CS..THydrogen-bonded Turntrans-99.27.7-176.7-57.80000114.2N492 C556 N558 N562 F563 Y678N492-C560 WeakPolarHBondContact OD1-CB 3.36Å; C556-C560 WeakPolarHBondContact O-CB 3.42Å; C556-C560 PolarHBondContact O-N 2.84Å; C556-C560 PolarHBondContact O-SG 2.99Å; N558-C560 PolarHBondContact O-N 3.36Å; C560-N562 VanDerWaalsContact C-N 3.27Å; C560-N562 PolarHBondContact O-N 3.45Å; C560-F563 VanDerWaalsContact O-CB 3.27Å; C560-F563 WeakPolarHBondContact O-CB 3.35Å; C560-F563 PolarHBondContact O-N 3.3Å; C560-F563 VanDerWaalsContact O-N 3.14Å; C560-Y678 HydrophobicContact CB-CE2 4.18Å
561A79.6Confident80.2Confident64 Ų6474.3 Ų74.353%0.52935%0.349SS..THydrogen-bonded Turntrans-60-35.3-174.800000113.4R557 N558 F563R557-A561 PolarHBondContact O-N 2.8Å; N558-A561 WeakPolarHBondContact O-CB 3.4Å; N558-A561 PolarHBondContact O-N 3.3Å; A561-F563 VanDerWaalsContact C-N 3.27Å; A561-F563 PolarHBondContact O-N 3.4Å
562N82.6Confident79.9Confident133 Ų13370.6 Ų70.671%0.71134%0.337SS*.THydrogen-bonded Turntrans-86.18.1-177.7-66.1-14.1000113.8C560 R564 F681C560-N562 VanDerWaalsContact C-N 3.27Å; C560-N562 PolarHBondContact O-N 3.45Å; N562-R564 PolarHBondContact O-N 3.02Å; N562-F681 HydrophobicContact CB-CZ 4.44Å
563F86.3Confident79.4Confident10 Ų1072.6 Ų72.64%0.04435%0.348CS..  trans-66.7119.2178.6177.5-114.5000111.1K488 C560 A561 E565 F674 Q677 Y678 F681K488-F563 HydrophobicContact CD-CD1 4.29Å; K488-F563 HydrophobicContact CG-CD1 4.46Å; K488-F563 PolarHBondContact NZ-O 2.86Å; C560-F563 VanDerWaalsContact O-CB 3.27Å; C560-F563 WeakPolarHBondContact O-CB 3.35Å; C560-F563 PolarHBondContact O-N 3.3Å; C560-F563 VanDerWaalsContact O-N 3.14Å; A561-F563 VanDerWaalsContact C-N 3.27Å; A561-F563 PolarHBondContact O-N 3.4Å; F563-E565 HydrophobicContact CE1-CB 4.35Å; F563-E565 HydrophobicContact CZ-CB 4.49Å; F563-F674 HydrophobicContact CD1-CZ 4.48Å; F563-F674 HydrophobicContact CE1-CD2 4.16Å; F563-F674 HydrophobicContact CE1-CE1 4.4Å; F563-F674 AromaticContact CE1-CE2 3.63Å; F563-F674 HydrophobicContact CE1-CE2 3.63Å; F563-F674 AromaticContact CE1-CZ 3.76Å; F563-F674 HydrophobicContact CE1-CZ 3.76Å; F563-F674 HydrophobicContact CZ-CE2 4.48Å; F563-Q677 HydrophobicContact CE2-CB 4.01Å; F563-Q677 HydrophobicContact CZ-CB 3.97Å; F563-Y678 AromaticContact CD1-CD2 3.85Å; F563-Y678 HydrophobicContact CD1-CD2 3.85Å; F563-Y678 AromaticContact CE1-CD2 3.93Å; F563-Y678 HydrophobicContact CE1-CD2 3.93Å; F563-Y678 HydrophobicContact CE1-CG 4.49Å; F563-Y678 HydrophobicContact CG-CD2 4.22Å; F563-Y678 HydrophobicContact CZ-CD2 4.38Å; F563-F681 HydrophobicContact CB-CD1 3.81Å; F563-F681 HydrophobicContact CB-CE1 3.78Å; F563-F681 HydrophobicContact CB-CZ 4.47Å; F563-F681 HydrophobicContact CD2-CB 3.76Å; F563-F681 AromaticContact CD2-CD1 3.8Å; F563-F681 HydrophobicContact CD2-CD1 3.8Å; F563-F681 HydrophobicContact CD2-CD2 4.41Å; F563-F681 HydrophobicContact CD2-CE1 4.5Å; F563-F681 AromaticContact CD2-CG 3.73Å; F563-F681 HydrophobicContact CD2-CG 3.73Å; F563-F681 HydrophobicContact CE2-CB 4.11Å; F563-F681 HydrophobicContact CG-CD1 4.19Å
564R81.3Confident79.2Confident216 Ų21667.2 Ų67.282%0.81533%0.327SS*.  trans-113128.6173.1-65.3-173.5-179.7-173.51109.6N562N562-R564 PolarHBondContact O-N 3.02Å
565E81.4Confident78.6Confident55 Ų5574.1 Ų74.126%0.25736%0.363SS..  trans-88136.8-178.172.6-74.2-168.400111.4I484 K488 F563 I567 F674I484-E565 HydrophobicContact CG2-CG 4.27Å; I484-E565 WeakPolarHBondContact CG2-OE1 3.41Å; K488-E565 WeakPolarHBondContact CE-OE2 3.43Å; K488-E565 IonicContact NZ-OE2 2.71Å; K488-E565 PolarHBondContact NZ-OE2 3.26Å; F563-E565 HydrophobicContact CE1-CB 4.35Å; F563-E565 HydrophobicContact CZ-CB 4.49Å; E565-I567 HydrophobicContact CB-CG2 4.29Å; E565-I567 HydrophobicContact CG-CD1 4.41Å; E565-I567 HydrophobicContact CG-CG1 4.19Å; E565-I567 HydrophobicContact CG-CG2 4.27Å; E565-F674 HydrophobicContact CB-CD2 3.63Å; E565-F674 HydrophobicContact CB-CE2 3.9Å; E565-F674 HydrophobicContact CG-CD2 4.18Å; E565-F674 HydrophobicContact CG-CE2 4.33Å
566D80.6Confident78.1Confident56 Ų5673 Ų7330%0.29937%0.368SS..  trans-112.281.1169.7-168.51.6000108.8R570 Q677D566-R570 IonicContact OD1-NH2 2.69Å; D566-R570 IonicContact OD2-CZ 3Å; D566-R570 IonicContact OD2-NH1 2.76Å; D566-R570 PolarHBondContact OD2-NH1 3.25Å; D566-R570 IonicContact OD2-NH2 2.75Å; D566-R570 PolarHBondContact OD2-NH2 3.39Å; D566-Q677 PolarHBondContact O-NE2 2.86Å
567I80.5Confident77.4Confident25 Ų2574.3 Ų74.313%0.12838%0.376CS..  trans-97.39.8178.757.9169.1000112.7F477 I484 E565 W665 F674F477-I567 HydrophobicContact CZ-CD1 4.48Å; I484-I567 HydrophobicContact CD1-CD1 3.53Å; E565-I567 HydrophobicContact CB-CG2 4.29Å; E565-I567 HydrophobicContact CG-CD1 4.41Å; E565-I567 HydrophobicContact CG-CG1 4.19Å; E565-I567 HydrophobicContact CG-CG2 4.27Å; I567-W665 PolarHBondContact O-NE1 3.47Å; I567-F674 HydrophobicContact CG2-CB 4.12Å
568Q78.1Confident76.8Confident148 Ų14871.4 Ų71.469%0.69237%0.37SS*.SBendtrans-74.5136.3177.5-65.7-172.8-1.300110R570Q568-R570 PolarHBondContact O-N 2.79Å
569F78.4Confident76Confident35 Ų3573.4 Ų73.415%0.15437%0.374CS..  trans-64.6123.2176.5173.7-95.9000110.4F571 Y658 E661 R662 W665F569-F571 HydrophobicContact CE1-CB 4.3Å; F569-F571 HydrophobicContact CZ-CB 4.4Å; F569-Y658 HydrophobicContact CE1-CD2 4.35Å; F569-Y658 AromaticContact CE1-CE2 3.68Å; F569-Y658 HydrophobicContact CE1-CE2 3.68Å; F569-Y658 AromaticContact CE1-CZ 3.77Å; F569-Y658 HydrophobicContact CZ-CE2 4.32Å; F569-E661 VanDerWaalsContact CE2-C 3.48Å; F569-E661 HydrophobicContact CE2-CB 3.92Å; F569-E661 HydrophobicContact CZ-CB 4.06Å; F569-R662 HydrophobicContact CE1-CB 4.3Å; F569-R662 VanDerWaalsContact CE2-CA 3.42Å; F569-R662 HydrophobicContact CE2-CB 4.04Å; F569-R662 HydrophobicContact CZ-CB 3.78Å; F569-R662 HydrophobicContact CZ-CG 4.44Å; F569-W665 HydrophobicContact CB-CG 4.25Å; F569-W665 HydrophobicContact CD2-CB 3.75Å; F569-W665 HydrophobicContact CD2-CD2 4.17Å; F569-W665 AromaticContact CD2-CG 3.73Å; F569-W665 HydrophobicContact CD2-CG 3.73Å; F569-W665 HydrophobicContact CE2-CB 4.31Å; F569-W665 HydrophobicContact CG-CG 4.48Å
570R74.9Confident75.1Confident157 Ų15778.6 Ų78.659%0.59240%0.397SS*.  trans-122130.8166.6-67.3-172.3-178.7132.515108.8D566 Q568 S572D566-R570 IonicContact OD1-NH2 2.69Å; D566-R570 IonicContact OD2-CZ 3Å; D566-R570 IonicContact OD2-NH1 2.76Å; D566-R570 PolarHBondContact OD2-NH1 3.25Å; D566-R570 IonicContact OD2-NH2 2.75Å; D566-R570 PolarHBondContact OD2-NH2 3.39Å; Q568-R570 PolarHBondContact O-N 2.79Å; R570-S572 PolarHBondContact O-N 3.08Å
571F77.8Confident74.1Confident9 Ų987 Ų874%0.03943%0.428CS..  trans-69.8127.1175.9-177-128000109.9F569 L573 S574 Y654 L657 Y658 E661F569-F571 HydrophobicContact CE1-CB 4.3Å; F569-F571 HydrophobicContact CZ-CB 4.4Å; F571-L573 HydrophobicContact CD1-CB 4.04Å; F571-L573 HydrophobicContact CE1-CB 3.46Å; F571-L573 VanDerWaalsContact CE1-CB 3.46Å; F571-L573 HydrophobicContact CZ-CB 3.77Å; F571-L573 HydrophobicContact CZ-CD1 4.1Å; F571-L573 HydrophobicContact CZ-CG 4.47Å; F571-L573 PolarHBondContact O-N 2.76Å; F571-L573 VanDerWaalsContact O-N 3.16Å; F571-S574 VanDerWaalsContact O-CB 3.27Å; F571-S574 WeakPolarHBondContact O-CB 3.49Å; F571-S574 PolarHBondContact O-N 3.32Å; F571-S574 PolarHBondContact O-OG 3.2Å; F571-Y654 HydrophobicContact CD1-CE1 4.39Å; F571-Y654 HydrophobicContact CD1-CE2 4.27Å; F571-Y654 AromaticContact CD1-CZ 3.86Å; F571-Y654 HydrophobicContact CE1-CD1 4.37Å; F571-Y654 HydrophobicContact CE1-CD2 4.01Å; F571-Y654 AromaticContact CE1-CE1 3.89Å; F571-Y654 HydrophobicContact CE1-CE1 3.89Å; F571-Y654 AromaticContact CE1-CE2 3.51Å; F571-Y654 HydrophobicContact CE1-CE2 3.51Å; F571-Y654 HydrophobicContact CE1-CG 4.42Å; F571-Y654 AromaticContact CE1-CZ 3.43Å; F571-Y654 VanDerWaalsContact CE1-CZ 3.43Å; F571-Y654 HydrophobicContact CZ-CE2 4.47Å; F571-L657 VanDerWaalsContact CE2-C 3.47Å; F571-L657 HydrophobicContact CE2-CB 4.11Å; F571-L657 HydrophobicContact CZ-CB 3.93Å; F571-Y658 HydrophobicContact CB-CD2 3.7Å; F571-Y658 HydrophobicContact CB-CE2 3.93Å; F571-Y658 AromaticContact CD1-CD2 3.94Å; F571-Y658 HydrophobicContact CD1-CD2 3.94Å; F571-Y658 AromaticContact CD2-CD2 3.74Å; F571-Y658 HydrophobicContact CD2-CD2 3.74Å; F571-Y658 HydrophobicContact CD2-CG 4.24Å; F571-Y658 HydrophobicContact CE1-CD2 4.49Å; F571-Y658 HydrophobicContact CE2-CD2 4.39Å; F571-Y658 VanDerWaalsContact CE2-N 3.25Å; F571-Y658 AromaticContact CG-CD2 3.51Å; F571-Y658 HydrophobicContact CG-CD2 3.51Å; F571-Y658 HydrophobicContact CG-CE2 4.26Å; F571-Y658 HydrophobicContact CG-CG 4.4Å; F571-E661 HydrophobicContact CD2-CB 4.23Å; F571-E661 HydrophobicContact CD2-CG 4.4Å; F571-E661 WeakPolarHBondContact CD2-OE2 3.48Å; F571-E661 HydrophobicContact CE2-CB 4.44Å; F571-E661 HydrophobicContact CE2-CG 4.3Å; F571-E661 WeakPolarHBondContact CE2-OE2 3.25Å
572S75.6Confident73.1Confident44 Ų4490.7 Ų90.731%0.30844%0.438SS..THydrogen-bonded Turntrans-60.8-30.2-172.7770000112.7R570 T577 E661R570-S572 PolarHBondContact O-N 3.08Å; S572-T577 PolarHBondContact O-OG1 3.29Å; S572-E661 WeakPolarHBondContact CB-OE1 3.14Å; S572-E661 WeakPolarHBondContact CB-OE2 3.29Å; S572-E661 PolarHBondContact N-OE2 2.74Å; S572-E661 PolarHBondContact OG-OE1 2.81Å; S572-E661 PolarHBondContact OG-OE2 2.84Å
573L72Confident71.9Confident62 Ų6287.8 Ų87.833%0.32543%0.428SS..THydrogen-bonded Turntrans-101.319.4177.9-68159.2000113F571 L578 Y654 L657F571-L573 HydrophobicContact CD1-CB 4.04Å; F571-L573 HydrophobicContact CE1-CB 3.46Å; F571-L573 VanDerWaalsContact CE1-CB 3.46Å; F571-L573 HydrophobicContact CZ-CB 3.77Å; F571-L573 HydrophobicContact CZ-CD1 4.1Å; F571-L573 HydrophobicContact CZ-CG 4.47Å; F571-L573 PolarHBondContact O-N 2.76Å; F571-L573 VanDerWaalsContact O-N 3.16Å; L573-L578 HydrophobicContact CD2-CD1 4.05Å; L573-Y654 HydrophobicContact CB-CE2 4.4Å; L573-L657 HydrophobicContact CD1-CD1 3.76Å
574S74.1Confident70.1Confident33 Ų3390.3 Ų90.323%0.23145%0.451CS..  trans-58.3145.7172.276.50000110.8F571 G576 T577 L578F571-S574 VanDerWaalsContact O-CB 3.27Å; F571-S574 WeakPolarHBondContact O-CB 3.49Å; F571-S574 PolarHBondContact O-N 3.32Å; F571-S574 PolarHBondContact O-OG 3.2Å; S574-G576 PolarHBondContact O-N 2.81Å; S574-G576 VanDerWaalsContact O-N 3.09Å; S574-T577 PolarHBondContact N-OG1 3.05Å; S574-T577 PolarHBondContact O-N 3.45Å; S574-T577 PolarHBondContact O-OG1 3.36Å; S574-T577 WeakPolarHBondContact OG-CG2 3.48Å; S574-T577 PolarHBondContact OG-N 2.84Å; S574-T577 PolarHBondContact OG-OG1 3.03Å; S574-L578 PolarHBondContact O-N 3.42Å
575L68.1Low68.2Low151 Ų15185.6 Ų85.679%0.79145%0.448SS*.Hα-helixtrans-55.5-31.8179.7-70.7165.3000112.3F579L575-F579 WeakPolarHBondContact O-CB 3.32Å; L575-F579 PolarHBondContact O-N 3.4Å
576G68.2Low66.1Low46 Ų4694.9 Ų94.947%0.47448%0.481SS..Hα-helixtrans-70-40.517600000114.3S574 F579 Q580S574-G576 PolarHBondContact O-N 2.81Å; S574-G576 VanDerWaalsContact O-N 3.09Å; G576-F579 PolarHBondContact O-N 3.34Å; G576-Q580 PolarHBondContact O-N 3Å
577T64.5Low64Low30 Ų30103.2 Ų103.218%0.18451%0.508CS..Hα-helixtrans-73.9-33.6178.249.10000112.1S572 S574 R581S572-T577 PolarHBondContact O-OG1 3.29Å; S574-T577 PolarHBondContact N-OG1 3.05Å; S574-T577 PolarHBondContact O-N 3.45Å; S574-T577 PolarHBondContact O-OG1 3.36Å; S574-T577 WeakPolarHBondContact OG-CG2 3.48Å; S574-T577 PolarHBondContact OG-N 2.84Å; S574-T577 PolarHBondContact OG-OG1 3.03Å; T577-R581 WeakPolarHBondContact O-CG 3.27Å; T577-R581 PolarHBondContact O-N 3.21Å
578L64.9Low61.7Low73 Ų73107.5 Ų107.538%0.38254%0.541SS..Hα-helixtrans-65.9-42.5172.3-114.1142.5000111.4L573 S574 R581 L582L573-L578 HydrophobicContact CD2-CD1 4.05Å; S574-L578 PolarHBondContact O-N 3.42Å; L578-R581 PolarHBondContact O-N 3.33Å; L578-L582 HydrophobicContact CD2-CD1 3.93Å; L578-L582 PolarHBondContact O-N 3.09Å
579F63Low59.4Low151 Ų151106.4 Ų106.466%0.66254%0.544SS*.Hα-helixtrans-66.8-38177-159.4-94.6000112.6L575 G576 L582 S583L575-F579 WeakPolarHBondContact O-CB 3.32Å; L575-F579 PolarHBondContact O-N 3.4Å; G576-F579 PolarHBondContact O-N 3.34Å; F579-L582 PolarHBondContact O-N 3.32Å; F579-S583 VanDerWaalsContact O-CB 3.27Å; F579-S583 WeakPolarHBondContact O-CB 3.45Å; F579-S583 PolarHBondContact O-N 3.44Å; F579-S583 PolarHBondContact O-OG 3.19Å
580Q62.7Low57.2Low148 Ų148111.9 Ų111.969%0.69258%0.575SS**Hα-helixtrans-65.4-36.9171.8-89-178.5-16.100113.1G576 A584G576-Q580 PolarHBondContact O-N 3Å; Q580-A584 WeakPolarHBondContact O-CB 3.45Å; Q580-A584 PolarHBondContact O-N 3.27Å
581R61.6Low55Low182 Ų182108.7 Ų108.769%0.68758%0.577SS**Hα-helixtrans-70.9-30.7175.4-77.7-178.8-177.9167.32.6113.4T577 L578T577-R581 WeakPolarHBondContact O-CG 3.27Å; T577-R581 PolarHBondContact O-N 3.21Å; L578-R581 PolarHBondContact O-N 3.33Å
582L58.6Low53Low140 Ų140117.1 Ų117.173%0.73361%0.61SS**Hα-helixtrans-83.1-24.4176.6-93.8136000113.6L578 F579L578-L582 HydrophobicContact CD2-CD1 3.93Å; L578-L582 PolarHBondContact O-N 3.09Å; F579-L582 PolarHBondContact O-N 3.32Å
583S56.9Low50.7Low72 Ų72125.4 Ų125.450%0.50364%0.635SS.*Hα-helixtrans-96.9-2.1-179.2-50.50000113.9F579 P585F579-S583 VanDerWaalsContact O-CB 3.27Å; F579-S583 WeakPolarHBondContact O-CB 3.45Å; F579-S583 PolarHBondContact O-N 3.44Å; F579-S583 PolarHBondContact O-OG 3.19Å; S583-P585 WeakPolarHBondContact O-CD 3.36Å
584A48.3Very low49Very low63 Ų63132.6 Ų132.652%0.52166%0.658SS.*SBendtrans-88.3113.1175.700000110.3Q580 R586Q580-A584 WeakPolarHBondContact O-CB 3.45Å; Q580-A584 PolarHBondContact O-N 3.27Å; A584-R586 PolarHBondContact O-N 3.48Å
585P42.8Very low46.9Very low117 Ų117137.5 Ų137.576%0.7669%0.687SS**  trans-63.9129.917324.7-29.2000109.4S583 R587S583-P585 WeakPolarHBondContact O-CD 3.36Å; P585-R587 VanDerWaalsContact C-N 3.25Å; P585-R587 PolarHBondContact O-N 2.99Å
586R36.3Very low45.2Very low251 Ų251139.8 Ų139.895%0.94769%0.694SS**SBendtrans-59.987167.4-87.9178.6164.9165-4.8109.1A584A584-R586 PolarHBondContact O-N 3.48Å
587R36.1Very low43.4Very low230 Ų230142.3 Ų142.387%0.86870%0.704SS**  trans-158.1114.9155.8-105.3167.7-166.1-175.63.3109.1P585 T589P585-R587 VanDerWaalsContact C-N 3.25Å; P585-R587 PolarHBondContact O-N 2.99Å; R587-T589 PolarHBondContact O-N 3.48Å
588S32.2Very low41.9Very low116 Ų116148.4 Ų148.481%0.81174%0.736SS**  trans-15.8111150.7164.60000113.6
589T30.8Very low40.2Very low124 Ų124148.5 Ų148.576%0.76176%0.755SS**  trans177119130.342.80000108.1R587 S591R587-T589 PolarHBondContact O-N 3.48Å; T589-S591 PolarHBondContact O-N 3.24Å
590N31.1Very low38.8Very low151 Ų151148.9 Ų148.981%0.80776%0.762SS**  trans-59.4105.5167.9-104-5.2000108.9
591S28.8Very low37.2Very low89 Ų89147.9 Ų147.962%0.62277%0.768SS**  trans-130.392.9162.3-171.10000107.8T589T589-S591 PolarHBondContact O-N 3.24Å
592Y35.9Very low35.9Very low187 Ų187144.5 Ų144.573%0.73377%0.773SS**  trans-91.2104.4163.4-76.6-80000107.3W594Y592-W594 PolarHBondContact O-N 2.82Å
593Y28Very low34.5Very low217 Ų217142.8 Ų142.885%0.85177%0.773SS**  trans-63111.3164.3-90.4-92.9000108.8
594W35.7Very low33.5Very low213 Ų213147.1 Ų147.181%0.80779%0.789SS**  trans-106.6116.7162.2-75.794.2000108.2Y592Y592-W594 PolarHBondContact O-N 2.82Å
595T31.6Very low33Very low137 Ų137150.6 Ų150.684%0.8480%0.804SS**  trans-59.9129.2169.5440000110.2
596Q31Very low32.6Very low198 Ų198152.2 Ų152.293%0.92581%0.806SS**  trans-75.8122.6-178.8-167.9176.731.700110.5
597S31Very low32.3Very low99 Ų99144.9 Ų144.969%0.69279%0.793SS**  trans-145134.5152.278.20000110.8
598D32.6Very low32.3Very low158 Ų158139.9 Ų139.985%0.84579%0.793SS**  trans74.6104.1162.3-54.9-26.7000121
599G29.1Very low32.3Very low76 Ų76141.8 Ų141.878%0.78479%0.793SS**  100.181.2110.800000118.7
600I34Very low32.4Very low158 Ų158143.9 Ų143.981%0.8180%0.798SS**  trans-139.4128.9149.7-57.3-179.2000108.5
601P28.6Very low32.4Very low127 Ų127141.7 Ų141.783%0.82579%0.793SS**  trans-82118.8179.332.2-29.4000110.1
602S35.3Very low32.6Very low111 Ų111149.6 Ų149.678%0.77681%0.809SS**  trans-129.497.3162.252.50000108.6
603S29.2Very low32.2Very low105 Ų105145.8 Ų145.873%0.73481%0.81SS**  trans-61.5150.116151.30000110.5
604L34.2Very low32.4Very low162 Ų162140.7 Ų140.785%0.84881%0.806SS**  trans82.386.7178.1-63.4128.4000114.4
605V37.8Very low31.9Very low137 Ų137138 Ų13883%0.8381%0.806SS**  -169.3116.390.41640000109
606N34.6Very low32Very low151 Ų151137.4 Ų137.481%0.80780%0.803SS**  trans-52.8154.4159.9-106.74.1000110
607S30.9Very low32Very low97 Ų97133.5 Ų133.568%0.67879%0.792SS**  cis173.91292.442.40000104.2
608S36.3Very low31.8Very low125 Ų125135 Ų13587%0.87479%0.793SS**  trans-166.7119.5147.1540000110.5
609I32.3Very low31.5Very low156 Ų156134.5 Ų134.580%0.879%0.789SS**  trans-74.7135.5178.6-66.5154.3000109.3
610L32.4Very low32.1Very low167 Ų167139.9 Ų139.987%0.87479%0.791SS**  -174.3146.7117.3-111.2119.3000111.6
611P32Very low32.1Very low106 Ų106137.7 Ų137.769%0.68879%0.787SS**  trans-106.8159.7-161.435.2-20.7000112.7
612R31.5Very low32.3Very low254 Ų254136 Ų13696%0.95878%0.778SS**  trans-151.4128.1154.1-122.2172.4178.5150.7-1.1112.9
613S28.2Very low32Very low108 Ų108136.9 Ų136.976%0.75577%0.774SS**  trans-82.4148.3177.743.20000112.5
614S31.8Very low32.4Very low110 Ų110139.8 Ų139.877%0.76978%0.777SS**  trans-178.4110.913646.10000108.3
615L26.4Very low32.7Very low156 Ų156135.7 Ų135.782%0.81776%0.763SS**  55.4106.291-89.6153.3000113.4
616T32.9Very low33Very low125 Ų125140 Ų14077%0.76776%0.764SS**  169.9116.8117.336.80000109.3
617V29.9Very low33.7Very low116 Ų116135.7 Ų135.770%0.70375%0.746SS**  77.1133.396.9165.90000110.2
618D27.6Very low34.6Very low131 Ų131133.6 Ų133.670%0.70173%0.734SS**  cis-168.71485-105.2-9.9000105.6
619L27.1Very low35.4Very low147 Ų147132.1 Ų132.177%0.7772%0.72SS**  54.412595.6-149.571.9000115.3
620F41.5Very low36.4Very low189 Ų189126.4 Ų126.483%0.82970%0.699SS**  trans-10.2147167.7-76.6-92000118.9
621P34.1Very low37.5Very low112 Ų112122.8 Ų122.873%0.72768%0.684SS**  -141.2129110.537.7-23.3000111.5
622S31.8Very low38.9Very low91 Ų91122.7 Ų122.764%0.63668%0.682SS**  33.9133.384.970.80000114.5
623L28.9Very low40.1Very low130 Ų130115 Ų11568%0.68166%0.658SS**  trans78.379.9172.4-59.7150.4000117.9S625L623-S625 WeakPolarHBondContact CD2-OG 3.44Å
624M37.3Very low41.6Very low165 Ų165113.9 Ų113.981%0.81365%0.647SS**  trans-108.550.1136.3-85.9-86.7138.400109.5R626M624-R626 VanDerWaalsContact C-N 3.32Å
625S41.8Very low43Very low77 Ų77114.2 Ų114.254%0.53864%0.635SS.*  trans-9212.7164.381.30000112.9L623L623-S625 WeakPolarHBondContact CD2-OG 3.44Å
626R44.1Very low44.6Very low226 Ų226108.6 Ų108.685%0.85361%0.614SS**SBendtrans-102.4-7.2175.7-79-177.3168-177.2-3.3114.9M624M624-R626 VanDerWaalsContact C-N 3.32Å
627S48.2Very low45.9Very low61 Ų61108.1 Ų108.143%0.42761%0.606SS.*SBendtrans-95-26.7174.159.60000113.5V629 G630 T631S627-V629 PolarHBondContact O-N 3.28Å; S627-G630 CarbonylContact O-C 3.41Å; S627-G630 WeakPolarHBondContact O-CA 3.36Å; S627-G630 PolarHBondContact O-N 3.08Å; S627-G630 VanDerWaalsContact O-N 3.11Å; S627-T631 PolarHBondContact O-N 3.27Å; S627-T631 PolarHBondContact O-OG1 3.28Å
628A50.9Low47.2Very low53 Ų53107.7 Ų107.744%0.43860%0.598SS.*Hα-helixtrans-64-36.4-17800000113.4T631 V632A628-T631 WeakPolarHBondContact CA-OG1 3.44Å; A628-T631 PolarHBondContact O-OG1 3.47Å; A628-V632 WeakPolarHBondContact O-CB 3.4Å; A628-V632 VanDerWaalsContact O-CG2 3.24Å; A628-V632 WeakPolarHBondContact O-CG2 3.3Å; A628-V632 PolarHBondContact O-N 3.33Å
629V52.9Low48.7Very low95 Ų95104 Ų10458%0.57658%0.582SS**Hα-helixtrans-71.6-35.6174.8-176.50000110.6S627 V632 I633S627-V629 PolarHBondContact O-N 3.28Å; V629-V632 PolarHBondContact O-N 3.12Å; V629-I633 HydrophobicContact CG1-CD1 3.78Å; V629-I633 HydrophobicContact CG1-CG1 4.4Å; V629-I633 WeakPolarHBondContact O-CB 3.33Å; V629-I633 WeakPolarHBondContact O-CD1 3.49Å; V629-I633 WeakPolarHBondContact O-CG1 3.4Å; V629-I633 PolarHBondContact O-N 3.07Å
630G52.9Low50.3Low35 Ų35106.3 Ų106.336%0.36159%0.586SS.*Hα-helixtrans-67.1-41.2174.300000113.2S627 I633 V634S627-G630 CarbonylContact O-C 3.41Å; S627-G630 WeakPolarHBondContact O-CA 3.36Å; S627-G630 PolarHBondContact O-N 3.08Å; S627-G630 VanDerWaalsContact O-N 3.11Å; G630-I633 PolarHBondContact O-N 3.27Å; G630-V634 WeakPolarHBondContact O-CB 3.11Å; G630-V634 VanDerWaalsContact O-CG2 3.22Å; G630-V634 WeakPolarHBondContact O-CG2 3.34Å; G630-V634 PolarHBondContact O-N 3.47Å
631T56.7Low51.4Low91 Ų91101.3 Ų101.356%0.55858%0.579SS**Hα-helixtrans-68.8-38.4173.326.40000111.8S627 A628 V634 F635S627-T631 PolarHBondContact O-N 3.27Å; S627-T631 PolarHBondContact O-OG1 3.28Å; A628-T631 WeakPolarHBondContact CA-OG1 3.44Å; A628-T631 PolarHBondContact O-OG1 3.47Å; T631-V634 PolarHBondContact O-N 3.33Å; T631-F635 WeakPolarHBondContact O-CB 3.42Å; T631-F635 PolarHBondContact O-N 2.83Å
632V59.9Low52.6Low105 Ų10598.1 Ų98.164%0.63656%0.558SS**Hα-helixtrans-66.6-36.7174.6173.20000111.7A628 V629 G636A628-V632 WeakPolarHBondContact O-CB 3.4Å; A628-V632 VanDerWaalsContact O-CG2 3.24Å; A628-V632 WeakPolarHBondContact O-CG2 3.3Å; A628-V632 PolarHBondContact O-N 3.33Å; V629-V632 PolarHBondContact O-N 3.12Å; V632-G636 WeakPolarHBondContact O-CA 3.26Å; V632-G636 PolarHBondContact O-N 3.02Å
633I58Low54.6Low92 Ų9296 Ų9647%0.47255%0.55SS.*Hα-helixtrans-70.7-43.3175.6-69168.4000111.1V629 G630 F635 G636 I637V629-I633 HydrophobicContact CG1-CD1 3.78Å; V629-I633 HydrophobicContact CG1-CG1 4.4Å; V629-I633 WeakPolarHBondContact O-CB 3.33Å; V629-I633 WeakPolarHBondContact O-CD1 3.49Å; V629-I633 WeakPolarHBondContact O-CG1 3.4Å; V629-I633 PolarHBondContact O-N 3.07Å; G630-I633 PolarHBondContact O-N 3.27Å; I633-F635 VanDerWaalsContact C-N 3.34Å; I633-F635 PolarHBondContact O-N 3.11Å; I633-G636 PolarHBondContact O-N 2.79Å; I633-I637 HydrophobicContact CG2-CD1 3.52Å; I633-I637 HydrophobicContact CG2-CG1 4.22Å; I633-I637 WeakPolarHBondContact O-CB 3.4Å; I633-I637 WeakPolarHBondContact O-CG1 3.46Å; I633-I637 PolarHBondContact O-N 2.81Å
634V59.5Low56.9Low85 Ų8599.2 Ų99.252%0.51555%0.554SS.*Hα-helixtrans-65.3-38.7175.2172.80000110.9G630 T631 M638G630-V634 WeakPolarHBondContact O-CB 3.11Å; G630-V634 VanDerWaalsContact O-CG2 3.22Å; G630-V634 WeakPolarHBondContact O-CG2 3.34Å; G630-V634 PolarHBondContact O-N 3.47Å; T631-V634 PolarHBondContact O-N 3.33Å; V634-M638 HydrophobicContact CG1-CG 4.47Å; V634-M638 HydrophobicContact CG1-SD 4.44Å; V634-M638 WeakPolarHBondContact O-CB 3.24Å; V634-M638 WeakPolarHBondContact O-CG 3.33Å; V634-M638 PolarHBondContact O-N 2.81Å
635F61Low59Low116 Ų116101.7 Ų101.751%0.50955%0.554SS.*Hα-helixtrans-70.6-31.6175.1-145.9-95.5000111.9T631 I633 S639 L647T631-F635 WeakPolarHBondContact O-CB 3.42Å; T631-F635 PolarHBondContact O-N 2.83Å; I633-F635 VanDerWaalsContact C-N 3.34Å; I633-F635 PolarHBondContact O-N 3.11Å; F635-S639 WeakPolarHBondContact O-CB 3.19Å; F635-S639 PolarHBondContact O-N 2.93Å; F635-S639 PolarHBondContact O-OG 2.92Å; F635-L647 HydrophobicContact CD1-CD2 4.47Å; F635-L647 HydrophobicContact CE1-CD1 4.3Å; F635-L647 HydrophobicContact CE1-CD2 3.54Å; F635-L647 HydrophobicContact CE1-CG 4.48Å; F635-L647 HydrophobicContact CE2-CD1 3.89Å; F635-L647 HydrophobicContact CZ-CD1 3.62Å; F635-L647 HydrophobicContact CZ-CD2 3.63Å; F635-L647 HydrophobicContact CZ-CG 4.09Å
636G59.5Low60.8Low38 Ų38102.1 Ų102.139%0.39255%0.553SS.*Hα-helixtrans-73.3-38.7174.200000113.5V632 I633 S639V632-G636 WeakPolarHBondContact O-CA 3.26Å; V632-G636 PolarHBondContact O-N 3.02Å; I633-G636 PolarHBondContact O-N 2.79Å; G636-S639 PolarHBondContact O-OG 3.32Å; G636-S639 VanDerWaalsContact O-OG 3.12Å
637I61.4Low62.4Low115 Ų11593.2 Ų93.259%0.5952%0.522SS*.Hα-helixtrans-76.7-40.9176.2-62.4167.6000110.2I633 K640 A641I633-I637 HydrophobicContact CG2-CD1 3.52Å; I633-I637 HydrophobicContact CG2-CG1 4.22Å; I633-I637 WeakPolarHBondContact O-CB 3.4Å; I633-I637 WeakPolarHBondContact O-CG1 3.46Å; I633-I637 PolarHBondContact O-N 2.81Å; I637-K640 PolarHBondContact O-N 3.28Å; I637-A641 PolarHBondContact O-N 3.48Å
638M57.2Low64Low107 Ų10792.8 Ų92.853%0.52752%0.523SS..Hα-helixtrans-66.8-38.8173.2-83.3-167.876.500112.3V634 K640 A641 V642V634-M638 HydrophobicContact CG1-CG 4.47Å; V634-M638 HydrophobicContact CG1-SD 4.44Å; V634-M638 WeakPolarHBondContact O-CB 3.24Å; V634-M638 WeakPolarHBondContact O-CG 3.33Å; V634-M638 PolarHBondContact O-N 2.81Å; M638-K640 PolarHBondContact O-N 2.86Å; M638-K640 VanDerWaalsContact O-N 3.16Å; M638-A641 PolarHBondContact O-N 3.13Å; M638-V642 HydrophobicContact CE-CG2 4.05Å; M638-V642 WeakPolarHBondContact O-CA 2.92Å; M638-V642 VanDerWaalsContact O-CB 3.24Å; M638-V642 WeakPolarHBondContact O-CB 3.46Å; M638-V642 PolarHBondContact O-N 3.43Å
639S59Low65.7Low53 Ų5394.6 Ų94.637%0.37153%0.528SS..Hα-helixtrans-65.5-20.1-179.962.30000113.5F635 G636F635-S639 WeakPolarHBondContact O-CB 3.19Å; F635-S639 PolarHBondContact O-N 2.93Å; F635-S639 PolarHBondContact O-OG 2.92Å; G636-S639 PolarHBondContact O-OG 3.32Å; G636-S639 VanDerWaalsContact O-OG 3.12Å
640K59.8Low67.1Low196 Ų19692.5 Ų92.585%0.85252%0.52SS*.Hα-helixtrans-89.1-31.4174.4-136.1178-174.8171.20113.5I637 M638I637-K640 PolarHBondContact O-N 3.28Å; M638-K640 PolarHBondContact O-N 2.86Å; M638-K640 VanDerWaalsContact O-N 3.16Å
641A63.9Low68.6Low84 Ų8494.4 Ų94.469%0.69453%0.528SS*.Hα-helixtrans-87.1-28.917800000113.3I637 M638I637-A641 PolarHBondContact O-N 3.48Å; M638-A641 PolarHBondContact O-N 3.13Å
642V60.5Low70Confident45 Ų4592.4 Ų92.427%0.27353%0.525SS..SBendtrans-120.994.6-174.1-179.50000106.2M638 V646M638-V642 HydrophobicContact CE-CG2 4.05Å; M638-V642 WeakPolarHBondContact O-CA 2.92Å; M638-V642 VanDerWaalsContact O-CB 3.24Å; M638-V642 WeakPolarHBondContact O-CB 3.46Å; M638-V642 PolarHBondContact O-N 3.43Å; V642-V646 HydrophobicContact CG1-CB 3.5Å; V642-V646 HydrophobicContact CG1-CG1 3.48Å; V642-V646 VanDerWaalsContact CG1-CG1 3.48Å; V642-V646 HydrophobicContact CG1-CG2 4.13Å
643G72.7Confident71.4Confident47 Ų4792.3 Ų92.349%0.48552%0.52SS..  trans-50.3147.8-173.100000113R645 V646G643-R645 PolarHBondContact O-N 2.87Å; G643-V646 PolarHBondContact O-N 2.94Å
644W78.8Confident72.7Confident197 Ų19793 Ų9375%0.74652%0.517SS*.Hα-helixtrans-46.1-28.7-172.8-173.7-92.8000115.2V646 L647 A648W644-V646 PolarHBondContact O-N 2.88Å; W644-L647 HydrophobicContact CE3-CD2 4.36Å; W644-L647 HydrophobicContact CZ3-CD2 4.33Å; W644-L647 PolarHBondContact O-N 2.73Å; W644-A648 WeakPolarHBondContact O-CB 3.41Å; W644-A648 PolarHBondContact O-N 3.1Å
645R81.4Confident73.9Confident217 Ų21790.7 Ų90.782%0.81951%0.511SS*.Hα-helixtrans-57.8-42.6175-66.3-175.6178174.2-0.3113.1G643 V649G643-R645 PolarHBondContact O-N 2.87Å; R645-V649 VanDerWaalsContact O-CG2 3.29Å; R645-V649 WeakPolarHBondContact O-CG2 3.28Å; R645-V649 PolarHBondContact O-N 2.82Å; R645-V649 VanDerWaalsContact O-N 3.08Å
646V79.4Confident75.2Confident87 Ų8787 Ų8753%0.52751%0.505SS..Hα-helixtrans-72-38.3-178.7177.30000110.9V642 G643 W644 V649 A650V642-V646 HydrophobicContact CG1-CB 3.5Å; V642-V646 HydrophobicContact CG1-CG1 3.48Å; V642-V646 VanDerWaalsContact CG1-CG1 3.48Å; V642-V646 HydrophobicContact CG1-CG2 4.13Å; G643-V646 PolarHBondContact O-N 2.94Å; W644-V646 PolarHBondContact O-N 2.88Å; V646-V649 PolarHBondContact O-N 2.85Å; V646-A650 WeakPolarHBondContact O-CB 3.47Å; V646-A650 PolarHBondContact O-N 2.91Å
647L77.4Confident76.4Confident38 Ų3888.5 Ų88.520%0.19950%0.504CS..Hα-helixtrans-65.1-41.7175.9-171.370000111.8F635 W644 A650 C651F635-L647 HydrophobicContact CD1-CD2 4.47Å; F635-L647 HydrophobicContact CE1-CD1 4.3Å; F635-L647 HydrophobicContact CE1-CD2 3.54Å; F635-L647 HydrophobicContact CE1-CG 4.48Å; F635-L647 HydrophobicContact CE2-CD1 3.89Å; F635-L647 HydrophobicContact CZ-CD1 3.62Å; F635-L647 HydrophobicContact CZ-CD2 3.63Å; F635-L647 HydrophobicContact CZ-CG 4.09Å; W644-L647 HydrophobicContact CE3-CD2 4.36Å; W644-L647 HydrophobicContact CZ3-CD2 4.33Å; W644-L647 PolarHBondContact O-N 2.73Å; L647-A650 PolarHBondContact O-N 3.32Å; L647-C651 PolarHBondContact O-N 2.92Å; L647-C651 PolarHBondContact O-SG 3.28Å
648A82.3Confident77.6Confident53 Ų5387.6 Ų87.644%0.43849%0.494SS..Hα-helixtrans-62.1-41.5174.400000112W644 G652W644-A648 WeakPolarHBondContact O-CB 3.41Å; W644-A648 PolarHBondContact O-N 3.1Å; A648-G652 PolarHBondContact O-N 3.33Å
649V86.2Confident78.9Confident90 Ų9087.4 Ų87.455%0.54549%0.494SS..Hα-helixtrans-63.6-44.7174.3170.90000111.2R645 V646 G652 I653R645-V649 VanDerWaalsContact O-CG2 3.29Å; R645-V649 WeakPolarHBondContact O-CG2 3.28Å; R645-V649 PolarHBondContact O-N 2.82Å; R645-V649 VanDerWaalsContact O-N 3.08Å; V646-V649 PolarHBondContact O-N 2.85Å; V649-G652 PolarHBondContact O-N 3.49Å; V649-I653 HydrophobicContact CG1-CD1 3.83Å; V649-I653 HydrophobicContact CG1-CG1 4.41Å; V649-I653 WeakPolarHBondContact O-CG1 3.38Å; V649-I653 PolarHBondContact O-N 3.18Å
650A82.6Confident80.2Confident51 Ų5192.9 Ų92.942%0.42151%0.508SS..Hα-helixtrans-63.3-44.1178.400000112.5V646 L647 G652 I653 Y654V646-A650 WeakPolarHBondContact O-CB 3.47Å; V646-A650 PolarHBondContact O-N 2.91Å; L647-A650 PolarHBondContact O-N 3.32Å; A650-G652 VanDerWaalsContact C-N 3.33Å; A650-I653 PolarHBondContact O-N 3.17Å; A650-Y654 WeakPolarHBondContact O-CB 3.33Å; A650-Y654 PolarHBondContact O-N 2.92Å
651C83.5Confident81.4Confident76 Ų7685.5 Ų85.551%0.51448%0.477SS..Hα-helixtrans-63.7-38.4173.1-730000111.9L647 Y654 G655L647-C651 PolarHBondContact O-N 2.92Å; L647-C651 PolarHBondContact O-SG 3.28Å; C651-Y654 PolarHBondContact O-N 3.41Å; C651-G655 PolarHBondContact O-N 3.41Å
652G86.9Confident82.2Confident48 Ų4887.9 Ų87.950%0.49547%0.468SS..Hα-helixtrans-62.2-44.1174.500000112.7A648 V649 A650 G656A648-G652 PolarHBondContact O-N 3.33Å; V649-G652 PolarHBondContact O-N 3.49Å; A650-G652 VanDerWaalsContact C-N 3.33Å; G652-G656 PolarHBondContact O-N 3.41Å
653I87.6Confident83.2Confident103 Ų10391.6 Ų91.653%0.52849%0.486SS..Hα-helixtrans-64.4-46.8174.8-67.6167.3000110.6V649 A650 G656 L657V649-I653 HydrophobicContact CG1-CD1 3.83Å; V649-I653 HydrophobicContact CG1-CG1 4.41Å; V649-I653 WeakPolarHBondContact O-CG1 3.38Å; V649-I653 PolarHBondContact O-N 3.18Å; A650-I653 PolarHBondContact O-N 3.17Å; I653-G656 PolarHBondContact O-N 3.4Å; I653-L657 HydrophobicContact CG2-CD1 3.93Å; I653-L657 HydrophobicContact CG2-CG 4.44Å; I653-L657 WeakPolarHBondContact O-CB 3.36Å; I653-L657 VanDerWaalsContact O-CG 3.32Å; I653-L657 WeakPolarHBondContact O-CG 3.32Å; I653-L657 PolarHBondContact O-N 3.04Å
654Y86.8Confident83.7Confident106 Ų10692 Ų9242%0.41648%0.481SS..Hα-helixtrans-61.6-46.2178.7-176.7-85.6000112F571 L573 A650 C651 L657 Y658F571-Y654 HydrophobicContact CD1-CE1 4.39Å; F571-Y654 HydrophobicContact CD1-CE2 4.27Å; F571-Y654 AromaticContact CD1-CZ 3.86Å; F571-Y654 HydrophobicContact CE1-CD1 4.37Å; F571-Y654 HydrophobicContact CE1-CD2 4.01Å; F571-Y654 AromaticContact CE1-CE1 3.89Å; F571-Y654 HydrophobicContact CE1-CE1 3.89Å; F571-Y654 AromaticContact CE1-CE2 3.51Å; F571-Y654 HydrophobicContact CE1-CE2 3.51Å; F571-Y654 HydrophobicContact CE1-CG 4.42Å; F571-Y654 AromaticContact CE1-CZ 3.43Å; F571-Y654 VanDerWaalsContact CE1-CZ 3.43Å; F571-Y654 HydrophobicContact CZ-CE2 4.47Å; L573-Y654 HydrophobicContact CB-CE2 4.4Å; A650-Y654 WeakPolarHBondContact O-CB 3.33Å; A650-Y654 PolarHBondContact O-N 2.92Å; C651-Y654 PolarHBondContact O-N 3.41Å; Y654-L657 PolarHBondContact O-N 3.21Å; Y654-Y658 WeakPolarHBondContact O-CB 3.15Å; Y654-Y658 PolarHBondContact O-N 2.87Å
655G84.5Confident83.9Confident37 Ų3786.1 Ų86.138%0.38146%0.459SS..Hα-helixtrans-65.6-38.7176.100000112.8C651 Y658 L659C651-G655 PolarHBondContact O-N 3.41Å; G655-Y658 PolarHBondContact O-N 3.24Å; G655-L659 WeakPolarHBondContact O-CB 3.31Å; G655-L659 PolarHBondContact O-N 2.74Å
656G87.1Confident84.1Confident39 Ų3979.3 Ų79.340%0.40244%0.441SS..Hα-helixtrans-64.1-43.6174.800000112.5G652 I653 L659 Y660G652-G656 PolarHBondContact O-N 3.41Å; I653-G656 PolarHBondContact O-N 3.4Å; G656-L659 PolarHBondContact O-N 3.23Å; G656-Y660 VanDerWaalsContact O-CB 3.28Å; G656-Y660 WeakPolarHBondContact O-CB 3.46Å; G656-Y660 PolarHBondContact O-N 3.01Å
657L86.2Confident84.3Confident69 Ų6978.8 Ų78.836%0.36144%0.435SS..Hα-helixtrans-64-41.4173.6-72.7170.3000111.5F571 L573 I653 Y654 Y660 E661F571-L657 VanDerWaalsContact CE2-C 3.47Å; F571-L657 HydrophobicContact CE2-CB 4.11Å; F571-L657 HydrophobicContact CZ-CB 3.93Å; L573-L657 HydrophobicContact CD1-CD1 3.76Å; I653-L657 HydrophobicContact CG2-CD1 3.93Å; I653-L657 HydrophobicContact CG2-CG 4.44Å; I653-L657 WeakPolarHBondContact O-CB 3.36Å; I653-L657 VanDerWaalsContact O-CG 3.32Å; I653-L657 WeakPolarHBondContact O-CG 3.32Å; I653-L657 PolarHBondContact O-N 3.04Å; Y654-L657 PolarHBondContact O-N 3.21Å; L657-Y660 PolarHBondContact O-N 2.75Å; L657-E661 WeakPolarHBondContact O-CB 3.37Å; L657-E661 WeakPolarHBondContact O-CG 3.16Å; L657-E661 PolarHBondContact O-N 3.29Å
658Y85.2Confident84.6Confident97 Ų9784.9 Ų84.938%0.3846%0.46SS..Hα-helixtrans-60.8-47.1175.3-179.3-84.1000111.9F569 F571 Y654 G655 E661 R662F569-Y658 HydrophobicContact CE1-CD2 4.35Å; F569-Y658 AromaticContact CE1-CE2 3.68Å; F569-Y658 HydrophobicContact CE1-CE2 3.68Å; F569-Y658 AromaticContact CE1-CZ 3.77Å; F569-Y658 HydrophobicContact CZ-CE2 4.32Å; F571-Y658 HydrophobicContact CB-CD2 3.7Å; F571-Y658 HydrophobicContact CB-CE2 3.93Å; F571-Y658 AromaticContact CD1-CD2 3.94Å; F571-Y658 HydrophobicContact CD1-CD2 3.94Å; F571-Y658 AromaticContact CD2-CD2 3.74Å; F571-Y658 HydrophobicContact CD2-CD2 3.74Å; F571-Y658 HydrophobicContact CD2-CG 4.24Å; F571-Y658 HydrophobicContact CE1-CD2 4.49Å; F571-Y658 HydrophobicContact CE2-CD2 4.39Å; F571-Y658 VanDerWaalsContact CE2-N 3.25Å; F571-Y658 AromaticContact CG-CD2 3.51Å; F571-Y658 HydrophobicContact CG-CD2 3.51Å; F571-Y658 HydrophobicContact CG-CE2 4.26Å; F571-Y658 HydrophobicContact CG-CG 4.4Å; Y654-Y658 WeakPolarHBondContact O-CB 3.15Å; Y654-Y658 PolarHBondContact O-N 2.87Å; G655-Y658 PolarHBondContact O-N 3.24Å; Y658-E661 PolarHBondContact O-N 2.58Å; Y658-R662 HydrophobicContact CE1-CB 4.41Å; Y658-R662 VanDerWaalsContact O-CB 3.22Å; Y658-R662 WeakPolarHBondContact O-CB 3.41Å; Y658-R662 PolarHBondContact O-N 2.63Å
659L85.1Confident84.7Confident102 Ų10283.7 Ų83.753%0.53445%0.45SS..Hα-helixtrans-65.9-41.9179.2-164.974.2000111.1G655 G656 R662 L663G655-L659 WeakPolarHBondContact O-CB 3.31Å; G655-L659 PolarHBondContact O-N 2.74Å; G656-L659 PolarHBondContact O-N 3.23Å; L659-R662 PolarHBondContact O-N 3.33Å; L659-L663 HydrophobicContact CD2-CD1 4.29Å; L659-L663 HydrophobicContact CG-CD1 3.9Å; L659-L663 HydrophobicContact CG-CG 4.35Å; L659-L663 VanDerWaalsContact O-CB 3.31Å; L659-L663 WeakPolarHBondContact O-CB 3.46Å; L659-L663 VanDerWaalsContact O-CG 3.24Å; L659-L663 WeakPolarHBondContact O-CG 3.45Å; L659-L663 PolarHBondContact O-N 2.85Å
660Y86.8Confident84.6Confident168 Ų16881.6 Ų81.666%0.65943%0.434SS*.Hα-helixtrans-58.9-50.7174.8175.8-100.3000111.3G656 L657 R662 L663 S664G656-Y660 VanDerWaalsContact O-CB 3.28Å; G656-Y660 WeakPolarHBondContact O-CB 3.46Å; G656-Y660 PolarHBondContact O-N 3.01Å; L657-Y660 PolarHBondContact O-N 2.75Å; Y660-R662 VanDerWaalsContact C-N 3.34Å; Y660-R662 PolarHBondContact O-N 2.93Å; Y660-L663 PolarHBondContact O-N 3.19Å; Y660-S664 VanDerWaalsContact O-CB 3.25Å; Y660-S664 WeakPolarHBondContact O-CB 3.15Å; Y660-S664 PolarHBondContact O-N 2.97Å; Y660-S664 PolarHBondContact O-OG 3.35Å
661E84Confident84.9Confident42 Ų4281.1 Ų81.120%0.19642%0.423CS..Hα-helixtrans-61.4-42.9177.1-77.1-171.4-174.900111.4F569 F571 S572 L657 Y658 S664 W665F569-E661 VanDerWaalsContact CE2-C 3.48Å; F569-E661 HydrophobicContact CE2-CB 3.92Å; F569-E661 HydrophobicContact CZ-CB 4.06Å; F571-E661 HydrophobicContact CD2-CB 4.23Å; F571-E661 HydrophobicContact CD2-CG 4.4Å; F571-E661 WeakPolarHBondContact CD2-OE2 3.48Å; F571-E661 HydrophobicContact CE2-CB 4.44Å; F571-E661 HydrophobicContact CE2-CG 4.3Å; F571-E661 WeakPolarHBondContact CE2-OE2 3.25Å; S572-E661 WeakPolarHBondContact CB-OE1 3.14Å; S572-E661 WeakPolarHBondContact CB-OE2 3.29Å; S572-E661 PolarHBondContact N-OE2 2.74Å; S572-E661 PolarHBondContact OG-OE1 2.81Å; S572-E661 PolarHBondContact OG-OE2 2.84Å; L657-E661 WeakPolarHBondContact O-CB 3.37Å; L657-E661 WeakPolarHBondContact O-CG 3.16Å; L657-E661 PolarHBondContact O-N 3.29Å; Y658-E661 PolarHBondContact O-N 2.58Å; E661-S664 WeakPolarHBondContact CA-OG 3.49Å; E661-S664 PolarHBondContact O-N 2.58Å; E661-S664 PolarHBondContact O-OG 3.48Å; E661-W665 PolarHBondContact O-N 2.68Å
662R80.6Confident85Confident133 Ų13380.3 Ų80.350%0.50242%0.422SS..Hα-helixtrans-66.1-40.6-179.2-172.467175.4-162.6-1.7112.6F569 Y658 L659 Y660 W665F569-R662 HydrophobicContact CE1-CB 4.3Å; F569-R662 VanDerWaalsContact CE2-CA 3.42Å; F569-R662 HydrophobicContact CE2-CB 4.04Å; F569-R662 HydrophobicContact CZ-CB 3.78Å; F569-R662 HydrophobicContact CZ-CG 4.44Å; Y658-R662 HydrophobicContact CE1-CB 4.41Å; Y658-R662 VanDerWaalsContact O-CB 3.22Å; Y658-R662 WeakPolarHBondContact O-CB 3.41Å; Y658-R662 PolarHBondContact O-N 2.63Å; L659-R662 PolarHBondContact O-N 3.33Å; Y660-R662 VanDerWaalsContact C-N 3.34Å; Y660-R662 PolarHBondContact O-N 2.93Å; R662-W665 PolarHBondContact O-N 2.65Å
663L82.2Confident85Confident124 Ų12479 Ų7965%0.64941%0.407SS*.Hα-helixtrans-71.9-34.4176.1-70.5171.9000111.7L659 Y660 W665L659-L663 HydrophobicContact CD2-CD1 4.29Å; L659-L663 HydrophobicContact CG-CD1 3.9Å; L659-L663 HydrophobicContact CG-CG 4.35Å; L659-L663 VanDerWaalsContact O-CB 3.31Å; L659-L663 WeakPolarHBondContact O-CB 3.46Å; L659-L663 VanDerWaalsContact O-CG 3.24Å; L659-L663 WeakPolarHBondContact O-CG 3.45Å; L659-L663 PolarHBondContact O-N 2.85Å; Y660-L663 PolarHBondContact O-N 3.19Å; L663-W665 PolarHBondContact O-N 2.98Å
664S83.1Confident85.1Confident55 Ų5574.1 Ų74.139%0.38538%0.381SS..Hα-helixtrans-70.3-18.1174.675.60000113.2Y660 E661 T666 A669Y660-S664 VanDerWaalsContact O-CB 3.25Å; Y660-S664 WeakPolarHBondContact O-CB 3.15Å; Y660-S664 PolarHBondContact O-N 2.97Å; Y660-S664 PolarHBondContact O-OG 3.35Å; E661-S664 WeakPolarHBondContact CA-OG 3.49Å; E661-S664 PolarHBondContact O-N 2.58Å; E661-S664 PolarHBondContact O-OG 3.48Å; S664-T666 PolarHBondContact O-N 3Å; S664-A669 WeakPolarHBondContact O-CB 3.34Å
665W83.9Confident85.3Confident74 Ų7469.8 Ų69.828%0.2837%0.365SS..  trans-76.859.5178.7-158.1-108.6000113.3I567 F569 E661 R662 L663 A669 K670 A673I567-W665 PolarHBondContact O-NE1 3.47Å; F569-W665 HydrophobicContact CB-CG 4.25Å; F569-W665 HydrophobicContact CD2-CB 3.75Å; F569-W665 HydrophobicContact CD2-CD2 4.17Å; F569-W665 AromaticContact CD2-CG 3.73Å; F569-W665 HydrophobicContact CD2-CG 3.73Å; F569-W665 HydrophobicContact CE2-CB 4.31Å; F569-W665 HydrophobicContact CG-CG 4.48Å; E661-W665 PolarHBondContact O-N 2.68Å; R662-W665 PolarHBondContact O-N 2.65Å; L663-W665 PolarHBondContact O-N 2.98Å; W665-A669 HydrophobicContact CE3-CB 4.18Å; W665-K670 HydrophobicContact CZ2-CG 4.26Å; W665-A673 HydrophobicContact CH2-CB 3.77Å; W665-A673 HydrophobicContact CZ2-CB 4.4Å
666T85.4Confident85.5Confident73 Ų7376.9 Ų76.945%0.44838%0.38SS..  trans-76.1171.1176.262.60000112.1S664 K668 A669 K670S664-T666 PolarHBondContact O-N 3Å; T666-K668 PolarHBondContact O-N 2.9Å; T666-A669 WeakPolarHBondContact O-CB 3.42Å; T666-A669 PolarHBondContact O-N 3.33Å; T666-A669 PolarHBondContact OG1-N 2.84Å; T666-K670 PolarHBondContact O-N 3.19Å
667N82.3Confident85.7Confident76 Ų7677.8 Ų77.841%0.40637%0.374SS..Hα-helixtrans-57.3-32.4172.8-73.3-16.2000112.4F477 K670 E671F477-N667 WeakPolarHBondContact CD1-O 3.39Å; N667-K670 PolarHBondContact O-N 3.26Å; N667-E671 WeakPolarHBondContact O-CB 3.22Å; N667-E671 PolarHBondContact O-N 2.9Å
668K83.9Confident85.9Confident167 Ų16774.6 Ų74.673%0.72636%0.357SS*.Hα-helixtrans-68.6-37.4174.8-168.2175.2-177.2176.90112.4T666 E671 A672T666-K668 PolarHBondContact O-N 2.9Å; K668-E671 PolarHBondContact O-N 2.86Å; K668-A672 WeakPolarHBondContact O-CB 3.5Å; K668-A672 PolarHBondContact O-N 2.83Å
669A84.1Confident86.2Confident27 Ų2770.9 Ų70.922%0.22334%0.344CS..Hα-helixtrans-68.5-38.9173.900000111.8S664 W665 T666 A672 A673S664-A669 WeakPolarHBondContact O-CB 3.34Å; W665-A669 HydrophobicContact CE3-CB 4.18Å; T666-A669 WeakPolarHBondContact O-CB 3.42Å; T666-A669 PolarHBondContact O-N 3.33Å; T666-A669 PolarHBondContact OG1-N 2.84Å; A669-A672 PolarHBondContact O-N 2.58Å; A669-A673 WeakPolarHBondContact O-CB 3.46Å; A669-A673 PolarHBondContact O-N 3.11Å
670K85.9Confident86.4Confident46 Ų4671 Ų7120%0.235%0.345CS..Hα-helixtrans-63.1-42.1172.5-68.8177.6-176.31740112.1F477 P479 W665 T666 N667 A673 F674F477-K670 HydrophobicContact CE1-CB 3.68Å; F477-K670 HydrophobicContact CZ-CB 4.26Å; P479-K670 HydrophobicContact CB-CD 4.24Å; W665-K670 HydrophobicContact CZ2-CG 4.26Å; T666-K670 PolarHBondContact O-N 3.19Å; N667-K670 PolarHBondContact O-N 3.26Å; K670-A673 PolarHBondContact O-N 3Å; K670-F674 VanDerWaalsContact O-CB 3.28Å; K670-F674 WeakPolarHBondContact O-CB 3.45Å; K670-F674 PolarHBondContact O-N 3.22Å
671E87.3Confident86.5Confident41 Ų4165.7 Ų65.719%0.19233%0.326CS..Hα-helixtrans-60.9-47.5174.6-173.2-172.7163.500111.1F477 Y487 N667 K668 A673 F674 K675F477-E671 HydrophobicContact CB-CB 3.83Å; F477-E671 HydrophobicContact CB-CG 3.73Å; F477-E671 HydrophobicContact CD1-CB 3.87Å; F477-E671 HydrophobicContact CD2-CB 4.05Å; F477-E671 HydrophobicContact CD2-CG 3.98Å; F477-E671 HydrophobicContact CE1-CB 4.47Å; F477-E671 HydrophobicContact CG-CB 3.64Å; F477-E671 HydrophobicContact CG-CG 3.85Å; Y487-E671 PolarHBondContact OH-OE1 3.33Å; N667-E671 WeakPolarHBondContact O-CB 3.22Å; N667-E671 PolarHBondContact O-N 2.9Å; K668-E671 PolarHBondContact O-N 2.86Å; E671-A673 VanDerWaalsContact C-N 3.34Å; E671-A673 PolarHBondContact O-N 2.8Å; E671-F674 WeakPolarHBondContact O-CB 3.37Å; E671-F674 PolarHBondContact O-N 3.28Å; E671-K675 HydrophobicContact CG-CD 4.21Å; E671-K675 HydrophobicContact CG-CG 4.47Å; E671-K675 WeakPolarHBondContact O-CB 3.35Å; E671-K675 WeakPolarHBondContact O-CG 3.46Å; E671-K675 PolarHBondContact O-N 3.36Å; E671-K675 WeakPolarHBondContact OE1-CE 3.26Å; E671-K675 IonicContact OE1-NZ 2.77Å; E671-K675 PolarHBondContact OE1-NZ 2.87Å
672A86.6Confident86.9Confident60 Ų6063.7 Ų63.750%0.49632%0.316SS..Hα-helixtrans-62.2-40.4178.200000112.3K668 A669 R676K668-A672 WeakPolarHBondContact O-CB 3.5Å; K668-A672 PolarHBondContact O-N 2.83Å; A669-A672 PolarHBondContact O-N 2.58Å; A672-R676 WeakPolarHBondContact O-CB 3.28Å; A672-R676 PolarHBondContact O-N 2.97Å
673A86.3Confident87.4Confident21 Ų2158.1 Ų58.117%0.17430%0.298CS..Hα-helixtrans-65.3-43.8174.700000111.8W665 A669 K670 E671 R676 Q677W665-A673 HydrophobicContact CH2-CB 3.77Å; W665-A673 HydrophobicContact CZ2-CB 4.4Å; A669-A673 WeakPolarHBondContact O-CB 3.46Å; A669-A673 PolarHBondContact O-N 3.11Å; K670-A673 PolarHBondContact O-N 3Å; E671-A673 VanDerWaalsContact C-N 3.34Å; E671-A673 PolarHBondContact O-N 2.8Å; A673-R676 PolarHBondContact O-N 2.79Å; A673-Q677 VanDerWaalsContact O-CG 3.29Å; A673-Q677 WeakPolarHBondContact O-CG 3.45Å; A673-Q677 PolarHBondContact O-N 2.94Å
674F90.5Very high87.7Confident0 Ų057.5 Ų57.50%029%0.291CS..Hα-helixtrans-59.5-51.5175.2175.5-82.5000111.4F477 I484 Y487 K488 L491 F563 E565 I567 K670 E671 R676 Q677 Y678F477-F674 HydrophobicContact CE2-CB 4.06Å; F477-F674 HydrophobicContact CE2-CD1 4.39Å; F477-F674 HydrophobicContact CE2-CD2 4.22Å; F477-F674 AromaticContact CE2-CG 3.98Å; F477-F674 HydrophobicContact CE2-CG 3.98Å; F477-F674 HydrophobicContact CZ-CB 4.35Å; I484-F674 HydrophobicContact CG2-CE2 4Å; Y487-F674 AromaticContact CD1-CE1 3.82Å; Y487-F674 HydrophobicContact CD1-CE1 3.82Å; Y487-F674 HydrophobicContact CD1-CZ 4.12Å; Y487-F674 HydrophobicContact CE1-CD1 4.15Å; Y487-F674 AromaticContact CE1-CE1 3.77Å; Y487-F674 HydrophobicContact CE1-CE1 3.77Å; K488-F674 HydrophobicContact CG-CE2 4.05Å; K488-F674 HydrophobicContact CG-CZ 3.62Å; L491-F674 HydrophobicContact CD2-CE1 3.9Å; F563-F674 HydrophobicContact CD1-CZ 4.48Å; F563-F674 HydrophobicContact CE1-CD2 4.16Å; F563-F674 HydrophobicContact CE1-CE1 4.4Å; F563-F674 AromaticContact CE1-CE2 3.63Å; F563-F674 HydrophobicContact CE1-CE2 3.63Å; F563-F674 AromaticContact CE1-CZ 3.76Å; F563-F674 HydrophobicContact CE1-CZ 3.76Å; F563-F674 HydrophobicContact CZ-CE2 4.48Å; E565-F674 HydrophobicContact CB-CD2 3.63Å; E565-F674 HydrophobicContact CB-CE2 3.9Å; E565-F674 HydrophobicContact CG-CD2 4.18Å; E565-F674 HydrophobicContact CG-CE2 4.33Å; I567-F674 HydrophobicContact CG2-CB 4.12Å; K670-F674 VanDerWaalsContact O-CB 3.28Å; K670-F674 WeakPolarHBondContact O-CB 3.45Å; K670-F674 PolarHBondContact O-N 3.22Å; E671-F674 WeakPolarHBondContact O-CB 3.37Å; E671-F674 PolarHBondContact O-N 3.28Å; F674-R676 VanDerWaalsContact C-N 3.32Å; F674-R676 PolarHBondContact O-N 3.33Å; F674-Q677 PolarHBondContact O-N 2.84Å; F674-Y678 VanDerWaalsContact O-CB 3.32Å; F674-Y678 WeakPolarHBondContact O-CB 3.49Å; F674-Y678 PolarHBondContact O-N 2.95Å
675K90.8Very high88Confident14 Ų1458 Ų586%0.06129%0.287CS..Hα-helixtrans-59.2-42.9179.3-77.9-177.6165167.70111V470 Y473 Y487 E671 Y678 V679V470-K675 HydrophobicContact CG1-CB 3.81Å; V470-K675 HydrophobicContact CG1-CD 4.06Å; V470-K675 HydrophobicContact CG1-CG 3.66Å; V470-K675 WeakPolarHBondContact O-CE 3.09Å; Y473-K675 PolarHBondContact O-NZ 3.47Å; Y487-K675 WeakPolarHBondContact OH-CE 3.26Å; E671-K675 HydrophobicContact CG-CD 4.21Å; E671-K675 HydrophobicContact CG-CG 4.47Å; E671-K675 WeakPolarHBondContact O-CB 3.35Å; E671-K675 WeakPolarHBondContact O-CG 3.46Å; E671-K675 PolarHBondContact O-N 3.36Å; E671-K675 WeakPolarHBondContact OE1-CE 3.26Å; E671-K675 IonicContact OE1-NZ 2.77Å; E671-K675 PolarHBondContact OE1-NZ 2.87Å; K675-Y678 PolarHBondContact O-N 2.82Å; K675-V679 WeakPolarHBondContact O-CB 3.44Å; K675-V679 WeakPolarHBondContact O-CG2 3.35Å; K675-V679 PolarHBondContact O-N 2.72Å
676R89.5Confident88.2Confident187 Ų18754.5 Ų54.571%0.70627%0.273SS*.Hα-helixtrans-62.4-48.6176.1-172.8176.6-178.2138.32.4112.7A672 A673 F674 Y678 V679 D680A672-R676 WeakPolarHBondContact O-CB 3.28Å; A672-R676 PolarHBondContact O-N 2.97Å; A673-R676 PolarHBondContact O-N 2.79Å; F674-R676 VanDerWaalsContact C-N 3.32Å; F674-R676 PolarHBondContact O-N 3.33Å; R676-Y678 VanDerWaalsContact C-N 3.28Å; R676-Y678 PolarHBondContact O-N 2.84Å; R676-V679 PolarHBondContact O-N 3.3Å; R676-D680 PolarHBondContact O-N 2.88Å
677Q89.6Confident88.4Confident58 Ų5858 Ų5827%0.27128%0.279SS..Hα-helixtrans-60.8-40176.5-71.8171.516.600111.6F563 D566 A673 F674 D680 F681F563-Q677 HydrophobicContact CE2-CB 4.01Å; F563-Q677 HydrophobicContact CZ-CB 3.97Å; D566-Q677 PolarHBondContact O-NE2 2.86Å; A673-Q677 VanDerWaalsContact O-CG 3.29Å; A673-Q677 WeakPolarHBondContact O-CG 3.45Å; A673-Q677 PolarHBondContact O-N 2.94Å; F674-Q677 PolarHBondContact O-N 2.84Å; Q677-D680 PolarHBondContact O-N 2.8Å; Q677-F681 WeakPolarHBondContact O-CB 3.3Å; Q677-F681 PolarHBondContact O-N 2.81Å
678Y91.2Very high88.7Confident1 Ų159.8 Ų59.80%0.00429%0.288CS..Hα-helixtrans-64.4-46.7176.6-179.9-89.9000111.3V470 L491 N492 V495 C560 F563 F674 K675 R676 D680 F681 A682V470-Y678 HydrophobicContact CG1-CD1 4.38Å; V470-Y678 HydrophobicContact CG2-CD1 3.85Å; V470-Y678 HydrophobicContact CG2-CE1 3.9Å; L491-Y678 HydrophobicContact CD2-CD1 3.82Å; L491-Y678 HydrophobicContact CD2-CD2 4.11Å; L491-Y678 HydrophobicContact CD2-CE1 3.92Å; L491-Y678 HydrophobicContact CD2-CE2 4.18Å; L491-Y678 HydrophobicContact CD2-CG 3.92Å; L491-Y678 HydrophobicContact CG-CE1 4.15Å; N492-Y678 VanDerWaalsContact OD1-CE2 3.23Å; N492-Y678 WeakPolarHBondContact OD1-CE2 3.35Å; N492-Y678 PolarHBondContact OD1-OH 3.39Å; V495-Y678 HydrophobicContact CG2-CE1 4.02Å; C560-Y678 HydrophobicContact CB-CE2 4.18Å; F563-Y678 AromaticContact CD1-CD2 3.85Å; F563-Y678 HydrophobicContact CD1-CD2 3.85Å; F563-Y678 AromaticContact CE1-CD2 3.93Å; F563-Y678 HydrophobicContact CE1-CD2 3.93Å; F563-Y678 HydrophobicContact CE1-CG 4.49Å; F563-Y678 HydrophobicContact CG-CD2 4.22Å; F563-Y678 HydrophobicContact CZ-CD2 4.38Å; F674-Y678 VanDerWaalsContact O-CB 3.32Å; F674-Y678 WeakPolarHBondContact O-CB 3.49Å; F674-Y678 PolarHBondContact O-N 2.95Å; K675-Y678 PolarHBondContact O-N 2.82Å; R676-Y678 VanDerWaalsContact C-N 3.28Å; R676-Y678 PolarHBondContact O-N 2.84Å; Y678-D680 VanDerWaalsContact C-N 3.34Å; Y678-D680 PolarHBondContact O-N 2.79Å; Y678-F681 PolarHBondContact O-N 2.91Å; Y678-A682 HydrophobicContact CD1-CB 4.27Å; Y678-A682 HydrophobicContact CE1-CB 3.91Å; Y678-A682 WeakPolarHBondContact O-CB 3.5Å; Y678-A682 PolarHBondContact O-N 2.99Å
679V91.8Very high88.9Confident19 Ų1953 Ų5312%0.11526%0.259CS..Hα-helixtrans-59.3-44.7177.3170.10000110.9L466 V470 K675 R676 S683L466-V679 HydrophobicContact CB-CG1 4.5Å; V470-V679 HydrophobicContact CB-CG2 3.81Å; V470-V679 HydrophobicContact CG1-CG2 4.05Å; V470-V679 HydrophobicContact CG2-CG2 3.75Å; K675-V679 WeakPolarHBondContact O-CB 3.44Å; K675-V679 WeakPolarHBondContact O-CG2 3.35Å; K675-V679 PolarHBondContact O-N 2.72Å; R676-V679 PolarHBondContact O-N 3.3Å; V679-S683 WeakPolarHBondContact O-CB 3.05Å; V679-S683 PolarHBondContact O-N 3.06Å; V679-S683 PolarHBondContact O-OG 3.03Å
680D88.5Confident89.2Confident105 Ų10552 Ų5256%0.56125%0.25SC*.Hα-helixtrans-63-44.7178.1-72.8-26.2000111.5R676 Q677 Y678 H684R676-D680 PolarHBondContact O-N 2.88Å; Q677-D680 PolarHBondContact O-N 2.8Å; Y678-D680 VanDerWaalsContact C-N 3.34Å; Y678-D680 PolarHBondContact O-N 2.79Å; D680-H684 PolarHBondContact O-N 3.05Å
681F90.2Very high89.3Confident56 Ų5655.2 Ų55.225%0.24627%0.269CS..Hα-helixtrans-67.8-49.6179.2-176.5-97.9000112.6N562 F563 Q677 Y678 H684 K685N562-F681 HydrophobicContact CB-CZ 4.44Å; F563-F681 HydrophobicContact CB-CD1 3.81Å; F563-F681 HydrophobicContact CB-CE1 3.78Å; F563-F681 HydrophobicContact CB-CZ 4.47Å; F563-F681 HydrophobicContact CD2-CB 3.76Å; F563-F681 AromaticContact CD2-CD1 3.8Å; F563-F681 HydrophobicContact CD2-CD1 3.8Å; F563-F681 HydrophobicContact CD2-CD2 4.41Å; F563-F681 HydrophobicContact CD2-CE1 4.5Å; F563-F681 AromaticContact CD2-CG 3.73Å; F563-F681 HydrophobicContact CD2-CG 3.73Å; F563-F681 HydrophobicContact CE2-CB 4.11Å; F563-F681 HydrophobicContact CG-CD1 4.19Å; Q677-F681 WeakPolarHBondContact O-CB 3.3Å; Q677-F681 PolarHBondContact O-N 2.81Å; Y678-F681 PolarHBondContact O-N 2.91Å; F681-H684 PolarHBondContact O-N 3.2Å; F681-K685 HydrophobicContact CD1-CG 4.35Å; F681-K685 HydrophobicContact CE1-CG 3.99Å; F681-K685 HydrophobicContact CZ-CG 4.13Å; F681-K685 PolarHBondContact O-N 2.95Å
682A90.6Very high89.4Confident0 Ų058 Ų580%029%0.285CS..Hα-helixtrans-65.5-40.5-18000000111L466 Y678 H684 K685 L686L466-A682 HydrophobicContact CD2-CB 3.75Å; Y678-A682 HydrophobicContact CD1-CB 4.27Å; Y678-A682 HydrophobicContact CE1-CB 3.91Å; Y678-A682 WeakPolarHBondContact O-CB 3.5Å; Y678-A682 PolarHBondContact O-N 2.99Å; A682-H684 VanDerWaalsContact C-N 3.32Å; A682-H684 PolarHBondContact O-N 3.28Å; A682-K685 PolarHBondContact O-N 3.28Å; A682-L686 VanDerWaalsContact O-CB 3.27Å; A682-L686 WeakPolarHBondContact O-CB 3.17Å; A682-L686 VanDerWaalsContact O-CG 3.23Å; A682-L686 WeakPolarHBondContact O-CG 3.45Å; A682-L686 PolarHBondContact O-N 3.02Å
683S91Very high89.5Confident16 Ų1655.7 Ų55.711%0.11226%0.264CS..Hα-helixtrans-60.1-42.2174.9-63.20000111.9L466 V679 R687L466-S683 WeakPolarHBondContact CD2-OG 3.46Å; V679-S683 WeakPolarHBondContact O-CB 3.05Å; V679-S683 PolarHBondContact O-N 3.06Å; V679-S683 PolarHBondContact O-OG 3.03Å; S683-R687 VanDerWaalsContact O-CG 3.29Å; S683-R687 WeakPolarHBondContact O-CG 3.42Å; S683-R687 PolarHBondContact O-N 3.33Å; S683-R687 VanDerWaalsContact O-N 3.07Å
684H89.2Confident89.8Confident111 Ų11154.7 Ų54.751%0.51426%0.257SS..Hα-helixtrans-64.5-45.7176.2179-79.7000111.7D680 F681 A682 R687 L688D680-H684 PolarHBondContact O-N 3.05Å; F681-H684 PolarHBondContact O-N 3.2Å; A682-H684 VanDerWaalsContact C-N 3.32Å; A682-H684 PolarHBondContact O-N 3.28Å; H684-R687 PolarHBondContact O-N 3.02Å; H684-L688 PolarHBondContact O-N 3.12Å
685K89.2Confident89.8Confident65 Ų6556.4 Ų56.428%0.28327%0.267SS..Hα-helixtrans-67.3-40.8179.4-71.6-65.1-171.71790112.8L559 F681 A682 R687 L688L559-K685 HydrophobicContact CD2-CB 4.42Å; F681-K685 HydrophobicContact CD1-CG 4.35Å; F681-K685 HydrophobicContact CE1-CG 3.99Å; F681-K685 HydrophobicContact CZ-CG 4.13Å; F681-K685 PolarHBondContact O-N 2.95Å; A682-K685 PolarHBondContact O-N 3.28Å; K685-R687 VanDerWaalsContact C-N 3.33Å; K685-R687 PolarHBondContact O-N 3.32Å; K685-L688 HydrophobicContact CD-CD1 4.27Å; K685-L688 WeakPolarHBondContact O-CB 3.46Å; K685-L688 PolarHBondContact O-N 3.44Å
686L89.2Confident89.8Confident1 Ų159.5 Ų59.51%0.00528%0.284CS..Hα-helixtrans-64-37.3176.3-73169000111.7I463 L466 L499 L559 A682 L688 I689 V690I463-L686 HydrophobicContact CD1-CB 3.74Å; I463-L686 HydrophobicContact CG1-CB 3.83Å; I463-L686 HydrophobicContact CG1-CD1 4.29Å; L466-L686 HydrophobicContact CD1-CD1 4.36Å; L466-L686 HydrophobicContact CD2-CD1 3.98Å; L499-L686 HydrophobicContact CD2-CD1 3.68Å; L499-L686 HydrophobicContact CD2-CD2 3.88Å; L499-L686 HydrophobicContact CD2-CG 4.43Å; L559-L686 HydrophobicContact CD1-CD2 4.42Å; A682-L686 VanDerWaalsContact O-CB 3.27Å; A682-L686 WeakPolarHBondContact O-CB 3.17Å; A682-L686 VanDerWaalsContact O-CG 3.23Å; A682-L686 WeakPolarHBondContact O-CG 3.45Å; A682-L686 PolarHBondContact O-N 3.02Å; L686-L688 PolarHBondContact O-N 3.42Å; L686-I689 HydrophobicContact CD2-CD1 4.01Å; L686-I689 HydrophobicContact CD2-CG1 4.46Å; L686-I689 WeakPolarHBondContact O-CG1 3.39Å; L686-I689 PolarHBondContact O-N 3.4Å; L686-I689 VanDerWaalsContact O-N 3.1Å; L686-V690 PolarHBondContact O-N 2.7Å
687R89.6Confident89.9Confident148 Ų14850.8 Ų50.856%0.55825%0.252SS*.Hα-helixtrans-60.1-30.6174.2-78.5177.2-170.5173.75.9113.5I463 S683 H684 K685 I689I463-R687 HydrophobicContact CD1-CG 4.26Å; I463-R687 HydrophobicContact CG2-CG 4.32Å; S683-R687 VanDerWaalsContact O-CG 3.29Å; S683-R687 WeakPolarHBondContact O-CG 3.42Å; S683-R687 PolarHBondContact O-N 3.33Å; S683-R687 VanDerWaalsContact O-N 3.07Å; H684-R687 PolarHBondContact O-N 3.02Å; K685-R687 VanDerWaalsContact C-N 3.33Å; K685-R687 PolarHBondContact O-N 3.32Å; R687-I689 VanDerWaalsContact C-N 3.28Å; R687-I689 PolarHBondContact O-N 2.7Å
688L87.7Confident90Very high113 Ų11351.6 Ų51.659%0.59225%0.253SS*.Hα-helixtrans-71.8-21.9177.9-64.7172000113.2H684 K685 L686H684-L688 PolarHBondContact O-N 3.12Å; K685-L688 HydrophobicContact CD-CD1 4.27Å; K685-L688 WeakPolarHBondContact O-CB 3.46Å; K685-L688 PolarHBondContact O-N 3.44Å; L686-L688 PolarHBondContact O-N 3.42Å
689I88.3Confident90.1Very high25 Ų2556 Ų5613%0.12827%0.273CS..Hα-helixtrans-100.3-2.7179.363.1153000113.4L554 L559 L686 R687 D691 L692 T693L554-I689 HydrophobicContact CD2-CD1 3.68Å; L559-I689 HydrophobicContact CD1-CD1 3.59Å; L559-I689 HydrophobicContact CD1-CG1 4.3Å; L559-I689 HydrophobicContact CD1-CG2 4.29Å; L559-I689 HydrophobicContact CD2-CG2 3.62Å; L686-I689 HydrophobicContact CD2-CD1 4.01Å; L686-I689 HydrophobicContact CD2-CG1 4.46Å; L686-I689 WeakPolarHBondContact O-CG1 3.39Å; L686-I689 PolarHBondContact O-N 3.4Å; L686-I689 VanDerWaalsContact O-N 3.1Å; R687-I689 VanDerWaalsContact C-N 3.28Å; R687-I689 PolarHBondContact O-N 2.7Å; I689-D691 VanDerWaalsContact C-N 3.3Å; I689-D691 PolarHBondContact O-N 3.34Å; I689-L692 WeakPolarHBondContact O-CB 3.46Å; I689-L692 PolarHBondContact O-N 3.05Å; I689-L692 VanDerWaalsContact O-N 3.07Å; I689-T693 PolarHBondContact O-N 3.32Å; I689-T693 PolarHBondContact O-OG1 2.81Å
690V90.1Very high90.1Very high5 Ų558.2 Ų58.23%0.0328%0.282CS..Hα-helixtrans-55.4-48.6-179.7172.60000110.9A456 L459 I463 L686 L692 T693 S694A456-V690 HydrophobicContact CB-CG1 3.83Å; L459-V690 HydrophobicContact CD2-CB 4.29Å; L459-V690 HydrophobicContact CD2-CG2 3.85Å; L459-V690 HydrophobicContact CG-CG2 4.02Å; I463-V690 HydrophobicContact CD1-CG2 3.67Å; L686-V690 PolarHBondContact O-N 2.7Å; V690-L692 VanDerWaalsContact C-N 3.28Å; V690-L692 PolarHBondContact O-N 2.83Å; V690-T693 PolarHBondContact O-N 2.88Å; V690-S694 WeakPolarHBondContact O-CB 3.37Å; V690-S694 PolarHBondContact O-N 3.34Å; V690-S694 PolarHBondContact O-OG 2.76Å; V690-S694 VanDerWaalsContact O-OG 3.09Å
691D88.5Confident90.3Very high113 Ų11353.2 Ų53.260%0.60426%0.256SS*.Hα-helixtrans-64.6-33.9179.7-64.6-17.1000111.9I689 S694 T695I689-D691 VanDerWaalsContact C-N 3.3Å; I689-D691 PolarHBondContact O-N 3.34Å; D691-S694 WeakPolarHBondContact CA-OG 3.41Å; D691-S694 PolarHBondContact O-OG 2.92Å; D691-S694 VanDerWaalsContact O-OG 3.04Å; D691-T695 WeakPolarHBondContact O-CB 3.39Å; D691-T695 PolarHBondContact O-N 3.28Å; D691-T695 PolarHBondContact O-OG1 2.88Å
692L89.6Confident90.5Very high101 Ų10154.3 Ų54.353%0.52926%0.26SS..Hα-helixtrans-70.1-45.9177-177.266.2000111.1I689 V690 T695 N696I689-L692 WeakPolarHBondContact O-CB 3.46Å; I689-L692 PolarHBondContact O-N 3.05Å; I689-L692 VanDerWaalsContact O-N 3.07Å; V690-L692 VanDerWaalsContact C-N 3.28Å; V690-L692 PolarHBondContact O-N 2.83Å; L692-T695 PolarHBondContact O-N 3.45Å; L692-N696 WeakPolarHBondContact O-CB 3.47Å; L692-N696 VanDerWaalsContact O-CG 3.25Å; L692-N696 PolarHBondContact O-N 3Å
693T89Confident90.6Very high10 Ų1064.1 Ų64.16%0.06130%0.297CS..Hα-helixtrans-67.2-41.6179.5-54.90000111.4V455 L459 L503 F552 L554 I689 V690 N696 A697V455-T693 HydrophobicContact CG1-CG2 4.28Å; L459-T693 HydrophobicContact CD2-CG2 4.27Å; L503-T693 HydrophobicContact CD2-CG2 4.3Å; F552-T693 HydrophobicContact CD1-CG2 4.25Å; L554-T693 HydrophobicContact CD2-CG2 4.32Å; I689-T693 PolarHBondContact O-N 3.32Å; I689-T693 PolarHBondContact O-OG1 2.81Å; V690-T693 PolarHBondContact O-N 2.88Å; T693-N696 PolarHBondContact O-N 3.23Å; T693-A697 PolarHBondContact O-N 3.08Å
694S91.5Very high90.5Very high1 Ų165.5 Ų65.51%0.00730%0.302CS..Hα-helixtrans-65.4-42.2175.163.70000111.9E452 V690 D691 N696 A697 R698E452-S694 WeakPolarHBondContact O-CB 3.28Å; V690-S694 WeakPolarHBondContact O-CB 3.37Å; V690-S694 PolarHBondContact O-N 3.34Å; V690-S694 PolarHBondContact O-OG 2.76Å; V690-S694 VanDerWaalsContact O-OG 3.09Å; D691-S694 WeakPolarHBondContact CA-OG 3.41Å; D691-S694 PolarHBondContact O-OG 2.92Å; D691-S694 VanDerWaalsContact O-OG 3.04Å; S694-N696 PolarHBondContact O-N 2.97Å; S694-A697 PolarHBondContact O-N 2.53Å; S694-R698 WeakPolarHBondContact O-CB 3.45Å; S694-R698 PolarHBondContact O-N 3.34Å
695T91.2Very high90.7Very high35 Ų3560.2 Ų60.222%0.21528%0.277CS..Hα-helixtrans-63.7-40.6175.6-64.40000111.6D691 L692 R698 H699D691-T695 WeakPolarHBondContact O-CB 3.39Å; D691-T695 PolarHBondContact O-N 3.28Å; D691-T695 PolarHBondContact O-OG1 2.88Å; L692-T695 PolarHBondContact O-N 3.45Å; T695-R698 WeakPolarHBondContact O-CB 3.38Å; T695-R698 PolarHBondContact O-N 3.44Å; T695-H699 PolarHBondContact O-CD2 3.3Å; T695-H699 PolarHBondContact O-N 2.85Å
696N90.7Very high90.9Very high80 Ų8060.5 Ų60.543%0.42828%0.28SS..Hα-helixtrans-64.1-44.6176.1-79.1-11.7000112L692 T693 S694 R698 H699 Q700L692-N696 WeakPolarHBondContact O-CB 3.47Å; L692-N696 VanDerWaalsContact O-CG 3.25Å; L692-N696 PolarHBondContact O-N 3Å; T693-N696 PolarHBondContact O-N 3.23Å; S694-N696 PolarHBondContact O-N 2.97Å; N696-R698 VanDerWaalsContact C-N 3.32Å; N696-R698 PolarHBondContact O-N 3.13Å; N696-H699 WeakPolarHBondContact O-CB 3.3Å; N696-H699 PolarHBondContact O-N 3.02Å; N696-H699 VanDerWaalsContact O-N 3.1Å; N696-Q700 PolarHBondContact O-N 3.36Å
697A90.6Very high91.1Very high4 Ų464.3 Ų64.33%0.03330%0.3CS..Hα-helixtrans-61.9-41.7175.400000111.6V455 F552 T693 S694 H699 Q700 A701V455-A697 HydrophobicContact CB-CB 4.45Å; V455-A697 HydrophobicContact CG1-CB 4.34Å; V455-A697 HydrophobicContact CG2-CB 3.76Å; F552-A697 HydrophobicContact CE1-CB 4.07Å; T693-A697 PolarHBondContact O-N 3.08Å; S694-A697 PolarHBondContact O-N 2.53Å; A697-H699 VanDerWaalsContact C-N 3.31Å; A697-H699 PolarHBondContact O-N 3.13Å; A697-Q700 PolarHBondContact O-N 2.86Å; A697-A701 PolarHBondContact O-N 3Å
698R92.8Very high91.2Very high75 Ų7557.4 Ų57.428%0.28327%0.274SS..Hα-helixtrans-58.2-42.5171.4-175.5-171.169-179.83.9111.7L448 E452 S694 T695 N696 A701 K702L448-R698 HydrophobicContact CB-CG 3.83Å; L448-R698 HydrophobicContact CD2-CG 4.12Å; L448-R698 HydrophobicContact CG-CG 4.45Å; E452-R698 HydrophobicContact CB-CB 4.33Å; E452-R698 VanDerWaalsContact OE2-CD 3.24Å; E452-R698 WeakPolarHBondContact OE2-CD 3.45Å; E452-R698 IonicContact OE2-CZ 2.77Å; E452-R698 IonicContact OE2-NE 2.91Å; E452-R698 IonicContact OE2-NH1 3Å; E452-R698 PolarHBondContact OE2-NH1 3.37Å; S694-R698 WeakPolarHBondContact O-CB 3.45Å; S694-R698 PolarHBondContact O-N 3.34Å; T695-R698 WeakPolarHBondContact O-CB 3.38Å; T695-R698 PolarHBondContact O-N 3.44Å; N696-R698 VanDerWaalsContact C-N 3.32Å; N696-R698 PolarHBondContact O-N 3.13Å; R698-A701 PolarHBondContact O-N 3.32Å; R698-K702 WeakPolarHBondContact O-CB 3.31Å; R698-K702 PolarHBondContact O-N 2.93Å
699H93Very high91.5Very high94 Ų9452.7 Ų52.744%0.43525%0.249SC..Hα-helixtrans-65.1-38.4177.6-79.4-60.1000112.8T695 N696 A697 K702 R703T695-H699 PolarHBondContact O-CD2 3.3Å; T695-H699 PolarHBondContact O-N 2.85Å; N696-H699 WeakPolarHBondContact O-CB 3.3Å; N696-H699 PolarHBondContact O-N 3.02Å; N696-H699 VanDerWaalsContact O-N 3.1Å; A697-H699 VanDerWaalsContact C-N 3.31Å; A697-H699 PolarHBondContact O-N 3.13Å; H699-K702 PolarHBondContact O-N 3.26Å; H699-R703 PolarHBondContact O-N 3.36Å
700Q92Very high91.7Very high65 Ų6558.5 Ų58.530%0.30427%0.273SS..Hα-helixtrans-61.6-52.2173.7-68.4176.826.200110.9F548 E551 N696 A697 K702 R703 E704F548-Q700 HydrophobicContact CE2-CB 4.2Å; F548-Q700 HydrophobicContact CZ-CB 4.3Å; E551-Q700 PolarHBondContact O-NE2 2.84Å; N696-Q700 PolarHBondContact O-N 3.36Å; A697-Q700 PolarHBondContact O-N 2.86Å; Q700-K702 VanDerWaalsContact C-N 3.32Å; Q700-K702 PolarHBondContact O-N 3.14Å; Q700-R703 PolarHBondContact O-N 3.47Å; Q700-E704 PolarHBondContact O-N 2.63Å
701A92.3Very high91.9Very high0 Ų062.9 Ų62.90%029%0.292CS..Hα-helixtrans-61.2-39.4177.300000112.3L448 V451 V515 F548 A697 R698 R703 E704 L705L448-A701 HydrophobicContact CD2-CB 3.92Å; V451-A701 HydrophobicContact CG1-CB 4.3Å; V451-A701 HydrophobicContact CG2-CB 4.46Å; V515-A701 HydrophobicContact CG2-CB 4.01Å; F548-A701 HydrophobicContact CZ-CB 4.29Å; A697-A701 PolarHBondContact O-N 3Å; R698-A701 PolarHBondContact O-N 3.32Å; A701-R703 VanDerWaalsContact C-N 3.33Å; A701-R703 PolarHBondContact O-N 3.16Å; A701-E704 PolarHBondContact O-N 3.34Å; A701-L705 WeakPolarHBondContact O-CB 3.4Å; A701-L705 WeakPolarHBondContact O-CG 3.27Å; A701-L705 PolarHBondContact O-N 2.83Å
702K93.9Very high92.1Very high78 Ų7857.5 Ų57.534%0.33926%0.263SS..Hα-helixtrans-60.4-42.5177178.6171.5-176.31790111.7L448 R698 H699 Q700 H706L448-K702 HydrophobicContact CD1-CB 3.73Å; L448-K702 HydrophobicContact CD1-CD 4.06Å; L448-K702 HydrophobicContact CD1-CG 3.81Å; L448-K702 HydrophobicContact CD2-CB 3.75Å; L448-K702 HydrophobicContact CG-CB 4.41Å; R698-K702 WeakPolarHBondContact O-CB 3.31Å; R698-K702 PolarHBondContact O-N 2.93Å; H699-K702 PolarHBondContact O-N 3.26Å; Q700-K702 VanDerWaalsContact C-N 3.32Å; Q700-K702 PolarHBondContact O-N 3.14Å; K702-H706 VanDerWaalsContact CE-CD2 3.48Å; K702-H706 WeakPolarHBondContact CE-CD2 3.44Å; K702-H706 WeakPolarHBondContact CE-NE2 3.23Å; K702-H706 VanDerWaalsContact CG-CD2 3.46Å; K702-H706 WeakPolarHBondContact CG-CD2 3.43Å; K702-H706 WeakPolarHBondContact O-CB 3.05Å; K702-H706 PolarHBondContact O-CD2 3.28Å; K702-H706 PolarHBondContact O-N 2.89Å
703R92.2Very high92.4Very high207 Ų20753.3 Ų53.378%0.78124%0.242SC*.Hα-helixtrans-62.8-45.6179.8-177.7179.4175.2177.6-2.4110.9H699 Q700 A701 L707H699-R703 PolarHBondContact O-N 3.36Å; Q700-R703 PolarHBondContact O-N 3.47Å; A701-R703 VanDerWaalsContact C-N 3.33Å; A701-R703 PolarHBondContact O-N 3.16Å; R703-L707 WeakPolarHBondContact O-CB 3.34Å; R703-L707 PolarHBondContact O-N 2.9Å; R703-L707 VanDerWaalsContact O-N 3.08Å
704E90.2Very high92.6Very high45 Ų4555.3 Ų55.321%0.2126%0.255CS..Hα-helixtrans-67-49.8-179.3-167.359.9-155.400111.6F548 Q700 A701 H706 L707 A708F548-E704 HydrophobicContact CB-CG 4.18Å; F548-E704 HydrophobicContact CD2-CB 3.86Å; F548-E704 HydrophobicContact CD2-CG 4Å; F548-E704 HydrophobicContact CE2-CB 4.34Å; F548-E704 HydrophobicContact CG-CG 4.36Å; Q700-E704 PolarHBondContact O-N 2.63Å; A701-E704 PolarHBondContact O-N 3.34Å; E704-H706 PolarHBondContact O-N 2.74Å; E704-L707 WeakPolarHBondContact O-CB 3.46Å; E704-L707 PolarHBondContact O-N 2.83Å; E704-A708 PolarHBondContact O-N 2.8Å
705L92.9Very high92.7Very high0 Ų056.7 Ų56.70%026%0.261CS..Hα-helixtrans-64.3-37.4-178.3-68.7174.7000113L444 L448 V515 C518 E519 M522 A701 A708 H709L444-L705 HydrophobicContact CD2-CB 3.43Å; L444-L705 VanDerWaalsContact CD2-CB 3.43Å; L444-L705 HydrophobicContact CD2-CD1 3.79Å; L444-L705 HydrophobicContact CD2-CD2 4.47Å; L444-L705 HydrophobicContact CD2-CG 4.11Å; L448-L705 HydrophobicContact CD2-CD1 4.29Å; V515-L705 HydrophobicContact CG1-CD2 3.89Å; V515-L705 HydrophobicContact CG1-CG 4.31Å; C518-L705 HydrophobicContact CB-CD1 4.28Å; C518-L705 HydrophobicContact CB-CD2 3.8Å; E519-L705 HydrophobicContact CG-CD2 3.71Å; M522-L705 HydrophobicContact CE-CB 4.38Å; M522-L705 HydrophobicContact CE-CD2 3.73Å; A701-L705 WeakPolarHBondContact O-CB 3.4Å; A701-L705 WeakPolarHBondContact O-CG 3.27Å; A701-L705 PolarHBondContact O-N 2.83Å; L705-A708 PolarHBondContact O-N 3.49Å; L705-H709 WeakPolarHBondContact O-CB 3.37Å; L705-H709 PolarHBondContact O-N 3.12Å
706H93.7Very high92.8Very high71 Ų7155 Ų5533%0.32925%0.251SS..Hα-helixtrans-68.7-34.8172.7-85.3-57.4000112.6K702 E704 H709 K710K702-H706 VanDerWaalsContact CE-CD2 3.48Å; K702-H706 WeakPolarHBondContact CE-CD2 3.44Å; K702-H706 WeakPolarHBondContact CE-NE2 3.23Å; K702-H706 VanDerWaalsContact CG-CD2 3.46Å; K702-H706 WeakPolarHBondContact CG-CD2 3.43Å; K702-H706 WeakPolarHBondContact O-CB 3.05Å; K702-H706 PolarHBondContact O-CD2 3.28Å; K702-H706 PolarHBondContact O-N 2.89Å; E704-H706 PolarHBondContact O-N 2.74Å; H706-H709 PolarHBondContact O-N 3.01Å; H706-K710 VanDerWaalsContact O-CB 3.32Å; H706-K710 WeakPolarHBondContact O-CB 3.34Å; H706-K710 PolarHBondContact O-N 2.92Å
707L92.4Very high93Very high81 Ų8155.7 Ų55.742%0.42425%0.251SS..Hα-helixtrans-63.9-44.8175-176.468.4000110.4R703 E704 K710 K711R703-L707 WeakPolarHBondContact O-CB 3.34Å; R703-L707 PolarHBondContact O-N 2.9Å; R703-L707 VanDerWaalsContact O-N 3.08Å; E704-L707 WeakPolarHBondContact O-CB 3.46Å; E704-L707 PolarHBondContact O-N 2.83Å; L707-K710 PolarHBondContact O-N 3.08Å; L707-K711 WeakPolarHBondContact O-CG 3.34Å; L707-K711 PolarHBondContact O-N 2.97Å; L707-K711 VanDerWaalsContact O-N 3.08Å
708A92.2Very high93.2Very high2 Ų259 Ų592%0.01727%0.269CS..Hα-helixtrans-60.6-50.2174.200000111.5E519 M522 V543 E704 L705 K710 K711 L712E519-A708 HydrophobicContact CG-CB 4.4Å; M522-A708 HydrophobicContact CE-CB 4.01Å; V543-A708 HydrophobicContact CG1-CB 4.05Å; V543-A708 HydrophobicContact CG2-CB 4.02Å; E704-A708 PolarHBondContact O-N 2.8Å; L705-A708 PolarHBondContact O-N 3.49Å; A708-K710 VanDerWaalsContact C-N 3.33Å; A708-K710 PolarHBondContact O-N 3.01Å; A708-K711 PolarHBondContact O-N 2.85Å; A708-L712 VanDerWaalsContact O-CG 3.32Å; A708-L712 WeakPolarHBondContact O-CG 3.35Å; A708-L712 PolarHBondContact O-N 3.25Å
709H93.8Very high93.2Very high15 Ų1556.7 Ų56.77%0.06926%0.261CS..Hα-helixtrans-56.9-45.9177.4-178.632.7000112V440 M522 H526 L705 H706 K711 L712 S713V440-H709 HydrophobicContact CG1-CB 4.44Å; M522-H709 HydrophobicContact SD-CB 3.85Å; H526-H709 AromaticContact CE1-CE1 3.6Å; H526-H709 AromaticContact CE1-ND1 3.28Å; H526-H709 PolarHBondContact CE1-ND1 2.82Å; H526-H709 VanDerWaalsContact CE1-ND1 3.28Å; H526-H709 AromaticContact NE2-CE1 3.37Å; H526-H709 PolarHBondContact NE2-CE1 3.2Å; H526-H709 AromaticContact NE2-ND1 3.3Å; H526-H709 PolarHBondContact NE2-ND1 3.44Å; L705-H709 WeakPolarHBondContact O-CB 3.37Å; L705-H709 PolarHBondContact O-N 3.12Å; H706-H709 PolarHBondContact O-N 3.01Å; H709-K711 PolarHBondContact O-N 3.48Å; H709-L712 PolarHBondContact O-N 3.37Å; H709-S713 PolarHBondContact CE1-OG 3.29Å; H709-S713 PolarHBondContact ND1-OG 3.2Å; H709-S713 PolarHBondContact O-N 3.37Å; H709-S713 PolarHBondContact O-OG 3.1Å
710K93.6Very high93.3Very high147 Ų14752.5 Ų52.564%0.63924%0.242SC*.Hα-helixtrans-59.2-46.5178.7-175.6177.21801800111.7H706 L707 A708 L712 S713 T714H706-K710 VanDerWaalsContact O-CB 3.32Å; H706-K710 WeakPolarHBondContact O-CB 3.34Å; H706-K710 PolarHBondContact O-N 2.92Å; L707-K710 PolarHBondContact O-N 3.08Å; A708-K710 VanDerWaalsContact C-N 3.33Å; A708-K710 PolarHBondContact O-N 3.01Å; K710-L712 VanDerWaalsContact C-N 3.33Å; K710-L712 PolarHBondContact O-N 2.62Å; K710-S713 PolarHBondContact O-N 3.18Å; K710-T714 WeakPolarHBondContact O-CB 3.39Å; K710-T714 PolarHBondContact O-N 3.27Å; K710-T714 PolarHBondContact O-OG1 3Å
711K93.1Very high93.4Very high96 Ų9653.6 Ų53.642%0.41725%0.249SC..Hα-helixtrans-58.9-44.8177.3-72.6174.1179.71770111.7L707 A708 H709 T714 E715L707-K711 WeakPolarHBondContact O-CG 3.34Å; L707-K711 PolarHBondContact O-N 2.97Å; L707-K711 VanDerWaalsContact O-N 3.08Å; A708-K711 PolarHBondContact O-N 2.85Å; H709-K711 PolarHBondContact O-N 3.48Å; K711-T714 PolarHBondContact O-N 3.29Å; K711-E715 PolarHBondContact O-N 3.15Å
712L94.1Very high93.5Very high0 Ų058 Ų580%028%0.276CS..Hα-helixtrans-66.5-44.3180-64.4169.2000112M522 M523 H526 I539 L542 V543 A708 H709 K710 E715 V716M522-L712 HydrophobicContact CB-CD1 3.75Å; M523-L712 HydrophobicContact CG-CD1 4Å; M523-L712 HydrophobicContact CG-CD2 3.93Å; H526-L712 HydrophobicContact CB-CB 4.28Å; I539-L712 HydrophobicContact CG2-CD2 3.76Å; I539-L712 WeakPolarHBondContact O-CD2 3.29Å; L542-L712 HydrophobicContact CB-CD2 4.26Å; V543-L712 HydrophobicContact CG2-CD1 4.25Å; V543-L712 HydrophobicContact CG2-CD2 4.09Å; V543-L712 HydrophobicContact CG2-CG 4.13Å; A708-L712 VanDerWaalsContact O-CG 3.32Å; A708-L712 WeakPolarHBondContact O-CG 3.35Å; A708-L712 PolarHBondContact O-N 3.25Å; H709-L712 PolarHBondContact O-N 3.37Å; K710-L712 VanDerWaalsContact C-N 3.33Å; K710-L712 PolarHBondContact O-N 2.62Å; L712-E715 PolarHBondContact O-N 3.16Å; L712-V716 PolarHBondContact O-N 2.94Å
713S94.1Very high93.6Very high13 Ų1354.8 Ų54.89%0.09126%0.263CS..Hα-helixtrans-60.9-44.7176.4-64.10000111.7H526 H709 K710 E715 V716 E717H526-S713 PolarHBondContact NE2-OG 3.21Å; H709-S713 PolarHBondContact CE1-OG 3.29Å; H709-S713 PolarHBondContact ND1-OG 3.2Å; H709-S713 PolarHBondContact O-N 3.37Å; H709-S713 PolarHBondContact O-OG 3.1Å; K710-S713 PolarHBondContact O-N 3.18Å; S713-E715 VanDerWaalsContact C-N 3.29Å; S713-E715 PolarHBondContact O-N 3.07Å; S713-V716 PolarHBondContact O-N 3.12Å; S713-E717 WeakPolarHBondContact O-CG 3.37Å; S713-E717 PolarHBondContact O-N 2.9Å
714T94Very high93.8Very high53 Ų5346.3 Ų46.333%0.32523%0.234SC..Hα-helixtrans-60.8-36.2178.5-62.20000112.3K710 K711 E717 N718K710-T714 WeakPolarHBondContact O-CB 3.39Å; K710-T714 PolarHBondContact O-N 3.27Å; K710-T714 PolarHBondContact O-OG1 3Å; K711-T714 PolarHBondContact O-N 3.29Å; T714-E717 PolarHBondContact O-N 3.33Å; T714-N718 PolarHBondContact O-N 3.5Å; T714-N718 PolarHBondContact O-ND2 3.29Å; T714-N718 PolarHBondContact O-OD1 2.89Å
715E93Very high94.1Very high30 Ų3049.2 Ų49.214%0.1425%0.248CC..Hα-helixtrans-69.9-34.9177.6-167.563.4-176.800112.7R538 I539 L542 K711 L712 S713 N718 F719R538-E715 IonicContact CZ-OE1 3.5Å; R538-E715 IonicContact NE-OE1 3.75Å; R538-E715 IonicContact NH1-OE1 3.53Å; R538-E715 PolarHBondContact NH1-OE1 2.94Å; I539-E715 HydrophobicContact CG1-CB 4.35Å; I539-E715 HydrophobicContact CG1-CG 4.05Å; L542-E715 HydrophobicContact CD1-CB 3.74Å; L542-E715 HydrophobicContact CD1-CG 3.79Å; K711-E715 PolarHBondContact O-N 3.15Å; L712-E715 PolarHBondContact O-N 3.16Å; S713-E715 VanDerWaalsContact C-N 3.29Å; S713-E715 PolarHBondContact O-N 3.07Å; E715-N718 PolarHBondContact O-N 2.99Å; E715-N718 PolarHBondContact OE2-ND2 3.13Å; E715-F719 PolarHBondContact O-N 2.97Å
716V94.8Very high94.2Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-70.6-36.6172.6-1790000111.3V429 L433 H526 I529 V530 I539 L712 S713 F719 S720V429-V716 HydrophobicContact CG1-CG1 4.38Å; L433-V716 HydrophobicContact CB-CG1 4.45Å; L433-V716 HydrophobicContact CD1-CB 4.17Å; L433-V716 HydrophobicContact CD1-CG1 3.99Å; L433-V716 HydrophobicContact CD2-CG1 4.25Å; L433-V716 HydrophobicContact CG-CG1 4.46Å; H526-V716 HydrophobicContact CB-CG2 4.16Å; I529-V716 HydrophobicContact CB-CG1 4.32Å; I529-V716 HydrophobicContact CD1-CG1 4.17Å; I529-V716 HydrophobicContact CD1-CG2 4.37Å; I529-V716 HydrophobicContact CG2-CG1 3.85Å; V530-V716 HydrophobicContact CG2-CG1 4.16Å; V530-V716 HydrophobicContact CG2-CG2 4.14Å; I539-V716 HydrophobicContact CD1-CG2 3.78Å; L712-V716 PolarHBondContact O-N 2.94Å; S713-V716 PolarHBondContact O-N 3.12Å; V716-F719 PolarHBondContact O-N 3.13Å; V716-S720 PolarHBondContact O-N 3.49Å
717E94.5Very high94.4Very high93 Ų9350.4 Ų50.444%0.43525%0.254SS..Hα-helixtrans-61.4-45172.7-73.1171.7169.500111.2L433 S713 T714 F719 S720 D721L433-E717 HydrophobicContact CD2-CG 3.87Å; S713-E717 WeakPolarHBondContact O-CG 3.37Å; S713-E717 PolarHBondContact O-N 2.9Å; T714-E717 PolarHBondContact O-N 3.33Å; E717-F719 VanDerWaalsContact C-N 3.28Å; E717-F719 PolarHBondContact O-N 2.82Å; E717-S720 CarbonylContact O-C 3.57Å; E717-S720 WeakPolarHBondContact O-CA 3.2Å; E717-S720 WeakPolarHBondContact O-CB 3.3Å; E717-S720 PolarHBondContact O-N 2.73Å; E717-D721 PolarHBondContact O-N 3.47Å
718N93.6Very high94.6Very high75 Ų7551.9 Ų51.940%0.40126%0.257SS..Hα-helixtrans-57.8-39.5174.8-68.6-23.2000112.2T714 E715 D721 T722T714-N718 PolarHBondContact O-N 3.5Å; T714-N718 PolarHBondContact O-ND2 3.29Å; T714-N718 PolarHBondContact O-OD1 2.89Å; E715-N718 PolarHBondContact O-N 2.99Å; E715-N718 PolarHBondContact OE2-ND2 3.13Å; N718-D721 PolarHBondContact O-N 3.37Å; N718-T722 PolarHBondContact O-N 2.86Å; N718-T722 VanDerWaalsContact O-N 3.07Å; N718-T722 PolarHBondContact O-OG1 3.49Å
719F94.2Very high94.8Very high26 Ų2657 Ų5711%0.11428%0.281CS..Hα-helixtrans-65.5-44.2173.9177.7-102.3000111.8H425 V429 V530 D532 C535 E715 V716 E717 D721 T722 L723H425-F719 AromaticContact NE2-CE1 3.93Å; H425-F719 AromaticContact NE2-CZ 3.91Å; V429-F719 HydrophobicContact CG1-CD1 4.3Å; V429-F719 HydrophobicContact CG2-CE1 4.07Å; V530-F719 HydrophobicContact CB-CD1 4.4Å; V530-F719 HydrophobicContact CG1-CD1 3.7Å; V530-F719 HydrophobicContact CG1-CD2 3.93Å; V530-F719 HydrophobicContact CG1-CE1 3.68Å; V530-F719 HydrophobicContact CG1-CE2 3.92Å; V530-F719 HydrophobicContact CG1-CG 3.82Å; V530-F719 HydrophobicContact CG1-CZ 3.8Å; V530-F719 HydrophobicContact CG2-CD1 4.06Å; V530-F719 HydrophobicContact CG2-CG 4.38Å; D532-F719 HydrophobicContact CB-CD2 4.36Å; D532-F719 HydrophobicContact CB-CE2 3.65Å; D532-F719 HydrophobicContact CB-CZ 4.21Å; C535-F719 HydrophobicContact CB-CD2 4.35Å; E715-F719 PolarHBondContact O-N 2.97Å; V716-F719 PolarHBondContact O-N 3.13Å; E717-F719 VanDerWaalsContact C-N 3.28Å; E717-F719 PolarHBondContact O-N 2.82Å; F719-D721 VanDerWaalsContact C-N 3.3Å; F719-D721 PolarHBondContact O-N 3.26Å; F719-T722 WeakPolarHBondContact O-CB 3.2Å; F719-T722 PolarHBondContact O-N 3.21Å; F719-L723 HydrophobicContact CD1-CD1 4.34Å; F719-L723 HydrophobicContact CE1-CD1 3.78Å; F719-L723 HydrophobicContact CE1-CG 4.36Å; F719-L723 HydrophobicContact CZ-CD1 4.22Å; F719-L723 HydrophobicContact CZ-CG 4.43Å; F719-L723 PolarHBondContact O-N 2.81Å
720S94.6Very high94.9Very high6 Ų657.4 Ų57.44%0.04228%0.283CS..Hα-helixtrans-57.6-42172.3157.50000111.7L426 R430 V716 E717 T722 L723 V724L426-S720 WeakPolarHBondContact CD1-O 3.43Å; L426-S720 WeakPolarHBondContact CD1-OG 3.43Å; R430-S720 PolarHBondContact NE-OG 3.21Å; V716-S720 PolarHBondContact O-N 3.49Å; E717-S720 CarbonylContact O-C 3.57Å; E717-S720 WeakPolarHBondContact O-CA 3.2Å; E717-S720 WeakPolarHBondContact O-CB 3.3Å; E717-S720 PolarHBondContact O-N 2.73Å; S720-T722 VanDerWaalsContact C-N 3.28Å; S720-T722 PolarHBondContact O-N 2.79Å; S720-L723 WeakPolarHBondContact O-CB 3.14Å; S720-L723 PolarHBondContact O-N 3.47Å; S720-L723 VanDerWaalsContact O-N 3.16Å; S720-V724 WeakPolarHBondContact O-CG2 3.49Å; S720-V724 PolarHBondContact O-N 3.09Å
721D94.9Very high95Very high87 Ų8753 Ų5347%0.46527%0.266SS..Hα-helixtrans-65.6-33.1178.7-71.5-15.8000112.1E717 N718 F719 L723 V724 E725E717-D721 PolarHBondContact O-N 3.47Å; N718-D721 PolarHBondContact O-N 3.37Å; F719-D721 VanDerWaalsContact C-N 3.3Å; F719-D721 PolarHBondContact O-N 3.26Å; D721-L723 VanDerWaalsContact C-N 3.34Å; D721-L723 PolarHBondContact O-N 3.21Å; D721-V724 WeakPolarHBondContact O-CB 3.44Å; D721-V724 PolarHBondContact O-N 2.88Å; D721-E725 PolarHBondContact O-N 3.25Å
722T94.3Very high95.1Very high92 Ų9251.7 Ų51.756%0.56427%0.27SS*.Hα-helixtrans-62-42.6172.2-52.20000111.3N718 F719 S720 V724 E725 E726N718-T722 PolarHBondContact O-N 2.86Å; N718-T722 VanDerWaalsContact O-N 3.07Å; N718-T722 PolarHBondContact O-OG1 3.49Å; F719-T722 WeakPolarHBondContact O-CB 3.2Å; F719-T722 PolarHBondContact O-N 3.21Å; S720-T722 VanDerWaalsContact C-N 3.28Å; S720-T722 PolarHBondContact O-N 2.79Å; T722-V724 VanDerWaalsContact C-N 3.34Å; T722-E725 PolarHBondContact O-N 3.22Å; T722-E726 PolarHBondContact O-N 3.46Å
723L94.6Very high95.1Very high12 Ų1252.4 Ų52.46%0.06327%0.274CS..Hα-helixtrans-67-33.7175.1-64.8174.8000112.3H425 L426 V429 F719 S720 D721 E726 V727H425-L723 VanDerWaalsContact CD2-CD1 3.49Å; H425-L723 WeakPolarHBondContact CD2-CD1 3.43Å; L426-L723 HydrophobicContact CB-CB 4.28Å; L426-L723 HydrophobicContact CB-CD1 4.48Å; L426-L723 HydrophobicContact CD1-CB 4.07Å; V429-L723 HydrophobicContact CG2-CD1 4.27Å; F719-L723 HydrophobicContact CD1-CD1 4.34Å; F719-L723 HydrophobicContact CE1-CD1 3.78Å; F719-L723 HydrophobicContact CE1-CG 4.36Å; F719-L723 HydrophobicContact CZ-CD1 4.22Å; F719-L723 HydrophobicContact CZ-CG 4.43Å; F719-L723 PolarHBondContact O-N 2.81Å; S720-L723 WeakPolarHBondContact O-CB 3.14Å; S720-L723 PolarHBondContact O-N 3.47Å; S720-L723 VanDerWaalsContact O-N 3.16Å; D721-L723 VanDerWaalsContact C-N 3.34Å; D721-L723 PolarHBondContact O-N 3.21Å; L723-E726 PolarHBondContact O-N 3.1Å; L723-V727 WeakPolarHBondContact O-CG2 3.32Å; L723-V727 PolarHBondContact O-N 3.46Å
724V96.7Very high95.2Very high28 Ų2852.9 Ų52.917%0.1728%0.275CS..Hα-helixtrans-62.3-45.3173.4170.90000110.8L426 S720 D721 T722 E726 V727 K728L426-V724 HydrophobicContact CD1-CG2 3.88Å; L426-V724 HydrophobicContact CD2-CG2 3.68Å; L426-V724 HydrophobicContact CG-CG2 4.45Å; S720-V724 WeakPolarHBondContact O-CG2 3.49Å; S720-V724 PolarHBondContact O-N 3.09Å; D721-V724 WeakPolarHBondContact O-CB 3.44Å; D721-V724 PolarHBondContact O-N 2.88Å; T722-V724 VanDerWaalsContact C-N 3.34Å; V724-E726 VanDerWaalsContact C-N 3.34Å; V724-V727 PolarHBondContact O-N 3.44Å; V724-K728 HydrophobicContact CG1-CD 4.41Å; V724-K728 WeakPolarHBondContact O-CG 3.46Å; V724-K728 PolarHBondContact O-N 2.78Å
725E96.4Very high95.2Very high107 Ų10755.8 Ų55.850%0.529%0.288SS..Hα-helixtrans-65.3-37.3176.7-68.3-53.3130.400112D721 T722 K728 Q729D721-E725 PolarHBondContact O-N 3.25Å; T722-E725 PolarHBondContact O-N 3.22Å; E725-K728 PolarHBondContact O-N 3.25Å; E725-K728 IonicContact OE1-NZ 3.87Å; E725-K728 PolarHBondContact OE1-NZ 3.29Å; E725-Q729 PolarHBondContact O-N 3Å
726E95.7Very high95.2Very high85 Ų8558.2 Ų58.240%0.39730%0.296SS..Hα-helixtrans-60.1-47.2172.7-169.8-169.2147.800111.9S422 T722 L723 V724 K728 Q729 L730S422-E726 WeakPolarHBondContact CB-OE1 3.44Å; S422-E726 PolarHBondContact OG-OE1 2.96Å; T722-E726 PolarHBondContact O-N 3.46Å; L723-E726 PolarHBondContact O-N 3.1Å; V724-E726 VanDerWaalsContact C-N 3.34Å; E726-K728 VanDerWaalsContact C-N 3.33Å; E726-K728 PolarHBondContact O-N 3.32Å; E726-Q729 PolarHBondContact O-N 3.19Å; E726-L730 HydrophobicContact CG-CD1 4.21Å; E726-L730 WeakPolarHBondContact O-CG 3.49Å; E726-L730 PolarHBondContact O-N 3.15Å
727V97.1Very high95.2Very high10 Ų1058.3 Ų58.36%0.06130%0.297CS..Hα-helixtrans-61.4-41.8176.9171.20000111.2R419 Q423 L723 V724 L730 D731R419-V727 HydrophobicContact CG-CG1 4.47Å; Q423-V727 HydrophobicContact CB-CG2 4.39Å; L723-V727 WeakPolarHBondContact O-CG2 3.32Å; L723-V727 PolarHBondContact O-N 3.46Å; V724-V727 PolarHBondContact O-N 3.44Å; V727-L730 PolarHBondContact O-N 2.92Å; V727-D731 PolarHBondContact O-N 3.42Å
728K97.1Very high95.3Very high112 Ų11257.1 Ų57.149%0.48729%0.293SS..Hα-helixtrans-62.8-42.3176.1-74.3175.9-174.1168.10112.2V724 E725 E726 L730 D731 S732V724-K728 HydrophobicContact CG1-CD 4.41Å; V724-K728 WeakPolarHBondContact O-CG 3.46Å; V724-K728 PolarHBondContact O-N 2.78Å; E725-K728 PolarHBondContact O-N 3.25Å; E725-K728 IonicContact OE1-NZ 3.87Å; E725-K728 PolarHBondContact OE1-NZ 3.29Å; E726-K728 VanDerWaalsContact C-N 3.33Å; E726-K728 PolarHBondContact O-N 3.32Å; K728-L730 VanDerWaalsContact C-N 3.35Å; K728-D731 PolarHBondContact O-N 2.85Å; K728-S732 PolarHBondContact O-N 2.68Å
729Q95.6Very high95.3Very high110 Ų11057.9 Ų57.951%0.51429%0.293SS..Hα-helixtrans-63.1-44.4177-176.260.540.100110.8E725 E726 D731 S732 D733E725-Q729 PolarHBondContact O-N 3Å; E726-Q729 PolarHBondContact O-N 3.19Å; Q729-D731 VanDerWaalsContact C-N 3.32Å; Q729-D731 PolarHBondContact O-N 2.88Å; Q729-S732 WeakPolarHBondContact O-CB 3.41Å; Q729-S732 PolarHBondContact O-N 3.26Å; Q729-D733 PolarHBondContact NE2-OD1 3.08Å; Q729-D733 VanDerWaalsContact O-CG 3.22Å; Q729-D733 PolarHBondContact O-N 2.98Å
730L96.1Very high95.3Very high23 Ų2356.6 Ų56.612%0.1229%0.288CS..Hα-helixtrans-62.6-38.3176-70.8167000112C418 R419 E726 V727 K728 D733 I734C418-L730 HydrophobicContact CB-CD1 4.26Å; C418-L730 HydrophobicContact CB-CD2 4.2Å; R419-L730 HydrophobicContact CB-CB 4.04Å; R419-L730 HydrophobicContact CB-CD1 4.24Å; R419-L730 HydrophobicContact CG-CB 4.23Å; E726-L730 HydrophobicContact CG-CD1 4.21Å; E726-L730 WeakPolarHBondContact O-CG 3.49Å; E726-L730 PolarHBondContact O-N 3.15Å; V727-L730 PolarHBondContact O-N 2.92Å; K728-L730 VanDerWaalsContact C-N 3.35Å; L730-D733 PolarHBondContact O-N 3.28Å; L730-I734 WeakPolarHBondContact O-CB 3.43Å; L730-I734 WeakPolarHBondContact O-CD1 3.41Å; L730-I734 WeakPolarHBondContact O-CG1 3.26Å; L730-I734 PolarHBondContact O-N 3.5Å
731D97Very high95.4Very high54 Ų5456.8 Ų56.829%0.28929%0.289SS..Hα-helixtrans-61.7-43.4172.9-88.2-35.3000112.2R419 V727 K728 Q729 I734 N735R419-D731 WeakPolarHBondContact CD-OD1 3.33Å; R419-D731 IonicContact CZ-OD1 3.44Å; R419-D731 IonicContact CZ-OD2 3.85Å; R419-D731 VanDerWaalsContact NE-CG 3.35Å; R419-D731 IonicContact NE-OD1 3.88Å; R419-D731 PolarHBondContact NE-OD1 2.85Å; R419-D731 IonicContact NE-OD2 3.54Å; R419-D731 PolarHBondContact NE-OD2 3.38Å; R419-D731 IonicContact NH2-OD1 2.81Å; R419-D731 PolarHBondContact NH2-OD1 3.15Å; R419-D731 IonicContact NH2-OD2 2.72Å; R419-D731 PolarHBondContact NH2-OD2 3.4Å; V727-D731 PolarHBondContact O-N 3.42Å; K728-D731 PolarHBondContact O-N 2.85Å; Q729-D731 VanDerWaalsContact C-N 3.32Å; Q729-D731 PolarHBondContact O-N 2.88Å; D731-I734 PolarHBondContact O-N 2.84Å; D731-N735 VanDerWaalsContact O-CG 3.29Å; D731-N735 PolarHBondContact O-N 3.22Å; D731-N735 VanDerWaalsContact O-N 3.12Å; D731-N735 PolarHBondContact O-ND2 3.32Å
732S95Very high95.4Very high69 Ų6956.2 Ų56.248%0.48329%0.288SS..Hα-helixtrans-60.7-47.2174.7-169.20000111.6K728 Q729 I734 N735 R736K728-S732 PolarHBondContact O-N 2.68Å; Q729-S732 WeakPolarHBondContact O-CB 3.41Å; Q729-S732 PolarHBondContact O-N 3.26Å; S732-I734 PolarHBondContact O-N 3.08Å; S732-N735 PolarHBondContact O-N 2.99Å; S732-R736 PolarHBondContact O-N 2.79Å
733D92.8Very high95.5Very high16 Ų1654.1 Ų54.19%0.08627%0.272CS..Hα-helixtrans-60.7-44.7179.4-69.6-9000112R64 Q729 L730 N735 R736 L737R64-D733 IonicContact CZ-OD2 3.55Å; R64-D733 VanDerWaalsContact CZ-OD2 3.3Å; R64-D733 IonicContact NH1-OD1 3.58Å; R64-D733 PolarHBondContact NH1-OD1 3.02Å; R64-D733 IonicContact NH1-OD2 3.41Å; R64-D733 PolarHBondContact NH1-OD2 2.99Å; R64-D733 IonicContact NH2-OD2 2.79Å; R64-D733 PolarHBondContact NH2-OD2 3.39Å; Q729-D733 PolarHBondContact NE2-OD1 3.08Å; Q729-D733 VanDerWaalsContact O-CG 3.22Å; Q729-D733 PolarHBondContact O-N 2.98Å; L730-D733 PolarHBondContact O-N 3.28Å; D733-N735 VanDerWaalsContact C-N 3.35Å; D733-N735 PolarHBondContact O-N 2.59Å; D733-R736 PolarHBondContact O-N 2.81Å; D733-L737 WeakPolarHBondContact O-CB 3.31Å; D733-L737 WeakPolarHBondContact O-CG 3.48Å; D733-L737 PolarHBondContact O-N 2.73Å
734I96.2Very high95.6Very high23 Ų2353.5 Ų53.512%0.11827%0.269CS..Hα-helixtrans-61.1-45178.1-71.4161.8000110.4K412 A415 V416 R419 L730 D731 S732 R736 L737 D738K412-I734 HydrophobicContact CG-CG2 4.46Å; A415-I734 HydrophobicContact CB-CD1 4.45Å; A415-I734 HydrophobicContact CB-CG1 3.76Å; V416-I734 HydrophobicContact CB-CD1 4.46Å; V416-I734 HydrophobicContact CG2-CD1 3.84Å; V416-I734 HydrophobicContact CG2-CG1 4.04Å; V416-I734 HydrophobicContact CG2-CG2 4.17Å; R419-I734 HydrophobicContact CB-CD1 4Å; R419-I734 HydrophobicContact CG-CD1 4.29Å; L730-I734 WeakPolarHBondContact O-CB 3.43Å; L730-I734 WeakPolarHBondContact O-CD1 3.41Å; L730-I734 WeakPolarHBondContact O-CG1 3.26Å; L730-I734 PolarHBondContact O-N 3.5Å; D731-I734 PolarHBondContact O-N 2.84Å; S732-I734 PolarHBondContact O-N 3.08Å; I734-R736 VanDerWaalsContact C-N 3.32Å; I734-R736 PolarHBondContact O-N 3.41Å; I734-L737 PolarHBondContact O-N 3.17Å; I734-D738 WeakPolarHBondContact O-CB 3.48Å; I734-D738 PolarHBondContact O-N 3.36Å
735N95.8Very high95.6Very high114 Ų11459 Ų5961%0.6129%0.287SS*.Hα-helixtrans-62.3-40.9177.8-71.4-35.4000111.6D731 S732 D733 D738 F739D731-N735 VanDerWaalsContact O-CG 3.29Å; D731-N735 PolarHBondContact O-N 3.22Å; D731-N735 VanDerWaalsContact O-N 3.12Å; D731-N735 PolarHBondContact O-ND2 3.32Å; S732-N735 PolarHBondContact O-N 2.99Å; D733-N735 VanDerWaalsContact C-N 3.35Å; D733-N735 PolarHBondContact O-N 2.59Å; N735-D738 PolarHBondContact O-N 3.3Å; N735-F739 PolarHBondContact O-N 2.78Å; N735-F739 VanDerWaalsContact O-N 3.16Å
736R92.6Very high95.7Very high81 Ų8158.6 Ų58.631%0.30628%0.283SS..Hα-helixtrans-66.2-45.2177.1-174.657.6172.4173.3-2.7111.6F65 S732 D733 I734 D738 F739 I740F65-R736 HydrophobicContact CE1-CG 4.1Å; F65-R736 HydrophobicContact CE2-CG 3.56Å; F65-R736 HydrophobicContact CZ-CB 4.01Å; F65-R736 HydrophobicContact CZ-CG 3.31Å; S732-R736 PolarHBondContact O-N 2.79Å; D733-R736 PolarHBondContact O-N 2.81Å; I734-R736 VanDerWaalsContact C-N 3.32Å; I734-R736 PolarHBondContact O-N 3.41Å; R736-D738 VanDerWaalsContact C-N 3.32Å; R736-D738 PolarHBondContact O-N 3.14Å; R736-F739 PolarHBondContact O-N 3.5Å; R736-I740 HydrophobicContact CG-CD1 4.23Å; R736-I740 WeakPolarHBondContact O-CG1 3.38Å; R736-I740 PolarHBondContact O-N 3Å; R736-I740 VanDerWaalsContact O-N 3.13Å
737L94.6Very high95.7Very high1 Ų154.6 Ų54.61%0.00526%0.264CS..Hα-helixtrans-62.3-38176.4-74.5165.4000112.1F65 L68 T408 E411 K412 A415 D733 I734 I740 T741F65-L737 HydrophobicContact CE1-CD2 3.82Å; F65-L737 HydrophobicContact CE1-CG 4.21Å; L68-L737 HydrophobicContact CD2-CD2 3.77Å; T408-L737 HydrophobicContact CG2-CD2 4.41Å; E411-L737 HydrophobicContact CB-CD1 4.39Å; E411-L737 HydrophobicContact CB-CD2 4.25Å; E411-L737 HydrophobicContact CG-CD1 3.94Å; E411-L737 HydrophobicContact CG-CD2 4.12Å; K412-L737 HydrophobicContact CB-CB 4.05Å; K412-L737 HydrophobicContact CB-CD1 4.34Å; K412-L737 HydrophobicContact CG-CB 4.24Å; A415-L737 HydrophobicContact CB-CD1 4.27Å; D733-L737 WeakPolarHBondContact O-CB 3.31Å; D733-L737 WeakPolarHBondContact O-CG 3.48Å; D733-L737 PolarHBondContact O-N 2.73Å; I734-L737 PolarHBondContact O-N 3.17Å; L737-I740 PolarHBondContact O-N 2.91Å; L737-T741 VanDerWaalsContact O-CB 3.31Å; L737-T741 WeakPolarHBondContact O-CB 3.34Å; L737-T741 PolarHBondContact O-N 3.17Å; L737-T741 PolarHBondContact O-OG1 2.91Å
738D95.7Very high95.7Very high68 Ų6855.8 Ų55.836%0.36427%0.269SS..Hα-helixtrans-66.3-39178.2-159.963.7000112.5K412 I734 N735 R736 T741 T742K412-D738 HydrophobicContact CD-CB 4.12Å; K412-D738 IonicContact NZ-OD1 3.1Å; K412-D738 PolarHBondContact NZ-OD1 3.08Å; I734-D738 WeakPolarHBondContact O-CB 3.48Å; I734-D738 PolarHBondContact O-N 3.36Å; N735-D738 PolarHBondContact O-N 3.3Å; R736-D738 VanDerWaalsContact C-N 3.32Å; R736-D738 PolarHBondContact O-N 3.14Å; D738-T741 PolarHBondContact O-N 3.03Å; D738-T742 WeakPolarHBondContact O-CB 3.5Å; D738-T742 PolarHBondContact O-N 3.47Å; D738-T742 PolarHBondContact O-OG1 2.88Å
739F94.3Very high95.6Very high91 Ų9153.9 Ų53.940%0.39926%0.264SS..Hα-helixtrans-60-51.3171.8172.7-98.2000111.6N735 R736 T741 T742 E743N735-F739 PolarHBondContact O-N 2.78Å; N735-F739 VanDerWaalsContact O-N 3.16Å; R736-F739 PolarHBondContact O-N 3.5Å; F739-T741 VanDerWaalsContact C-N 3.32Å; F739-T741 PolarHBondContact O-N 3.48Å; F739-T742 PolarHBondContact O-N 3.44Å; F739-E743 HydrophobicContact CD2-CG 4.49Å; F739-E743 HydrophobicContact CE1-CG 4.35Å; F739-E743 HydrophobicContact CE2-CG 3.97Å; F739-E743 HydrophobicContact CZ-CG 3.89Å; F739-E743 PolarHBondContact O-N 3.05Å
740I94.2Very high95.7Very high0 Ų051.9 Ų51.90%025%0.252CS..Hα-helixtrans-61.4-43.2-179.6-60.7169.3000110.3F55 Q59 F65 I404 T408 R736 L737 T742 E743 A744F55-I740 HydrophobicContact CE2-CG2 4.22Å; F55-I740 HydrophobicContact CZ-CG2 3.7Å; Q59-I740 HydrophobicContact CG-CD1 4.47Å; Q59-I740 HydrophobicContact CG-CG1 4.38Å; F65-I740 HydrophobicContact CD1-CD1 3.43Å; F65-I740 VanDerWaalsContact CD1-CD1 3.43Å; F65-I740 HydrophobicContact CE1-CD1 3.6Å; F65-I740 HydrophobicContact CG-CD1 3.99Å; F65-I740 HydrophobicContact CZ-CD1 4.28Å; I404-I740 HydrophobicContact CG2-CG2 4.04Å; T408-I740 HydrophobicContact CG2-CB 4.29Å; T408-I740 HydrophobicContact CG2-CG2 3.64Å; R736-I740 HydrophobicContact CG-CD1 4.23Å; R736-I740 WeakPolarHBondContact O-CG1 3.38Å; R736-I740 PolarHBondContact O-N 3Å; R736-I740 VanDerWaalsContact O-N 3.13Å; L737-I740 PolarHBondContact O-N 2.91Å; I740-T742 VanDerWaalsContact C-N 3.32Å; I740-T742 PolarHBondContact O-N 3.46Å; I740-E743 PolarHBondContact O-N 3.37Å; I740-A744 VanDerWaalsContact O-CB 3.25Å; I740-A744 WeakPolarHBondContact O-CB 3.21Å; I740-A744 PolarHBondContact O-N 3.33Å
741T95.7Very high95.7Very high10 Ų1050.8 Ų50.86%0.06125%0.246CC..Hα-helixtrans-57.9-44.9177.1-58.90000111.4Y405 T408 V409 L737 D738 F739 R745Y405-T741 HydrophobicContact CD2-CG2 3.8Å; Y405-T741 HydrophobicContact CE2-CG2 3.62Å; T408-T741 PolarHBondContact OG1-OG1 2.69Å; V409-T741 HydrophobicContact CG2-CG2 3.61Å; L737-T741 VanDerWaalsContact O-CB 3.31Å; L737-T741 WeakPolarHBondContact O-CB 3.34Å; L737-T741 PolarHBondContact O-N 3.17Å; L737-T741 PolarHBondContact O-OG1 2.91Å; D738-T741 PolarHBondContact O-N 3.03Å; F739-T741 VanDerWaalsContact C-N 3.32Å; F739-T741 PolarHBondContact O-N 3.48Å; T741-R745 WeakPolarHBondContact O-CB 3.43Å; T741-R745 PolarHBondContact O-N 3.41Å
742T96.6Very high95.6Very high75 Ų7551.4 Ų51.446%0.4625%0.249SC..Hα-helixtrans-67.4-46.2-177.3-60.70000111.6D738 F739 I740 R745 K746D738-T742 WeakPolarHBondContact O-CB 3.5Å; D738-T742 PolarHBondContact O-N 3.47Å; D738-T742 PolarHBondContact O-OG1 2.88Å; F739-T742 PolarHBondContact O-N 3.44Å; I740-T742 VanDerWaalsContact C-N 3.32Å; I740-T742 PolarHBondContact O-N 3.46Å; T742-R745 PolarHBondContact O-N 3.44Å; T742-K746 WeakPolarHBondContact O-CB 3.43Å; T742-K746 PolarHBondContact O-N 2.95Å
743E96Very high95.7Very high47 Ų4753.1 Ų53.122%0.2225%0.253CS..Hα-helixtrans-67.8-41.9178.2-71-55.5125.100112F55 F739 I740 R745 K746 L747F55-E743 HydrophobicContact CD2-CB 3.96Å; F55-E743 HydrophobicContact CE2-CB 3.63Å; F55-E743 HydrophobicContact CZ-CB 4.22Å; F739-E743 HydrophobicContact CD2-CG 4.49Å; F739-E743 HydrophobicContact CE1-CG 4.35Å; F739-E743 HydrophobicContact CE2-CG 3.97Å; F739-E743 HydrophobicContact CZ-CG 3.89Å; F739-E743 PolarHBondContact O-N 3.05Å; I740-E743 PolarHBondContact O-N 3.37Å; E743-R745 VanDerWaalsContact C-N 3.3Å; E743-R745 PolarHBondContact O-N 3.01Å; E743-K746 WeakPolarHBondContact O-CB 3.48Å; E743-K746 PolarHBondContact O-N 3Å; E743-K746 IonicContact OE2-NZ 2.67Å; E743-L747 WeakPolarHBondContact O-CG 3.39Å; E743-L747 PolarHBondContact O-N 3.24Å
744A96.1Very high95.9Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-59.1-42.3174.800000111.6F55 I404 I740 L747 K748F55-A744 HydrophobicContact CE1-CB 4.29Å; F55-A744 HydrophobicContact CZ-CB 4.21Å; I404-A744 HydrophobicContact CB-CB 4.35Å; I404-A744 HydrophobicContact CG2-CB 3.89Å; I740-A744 VanDerWaalsContact O-CB 3.25Å; I740-A744 WeakPolarHBondContact O-CB 3.21Å; I740-A744 PolarHBondContact O-N 3.33Å; A744-L747 PolarHBondContact O-N 3.41Å; A744-K748 VanDerWaalsContact O-CB 3.3Å; A744-K748 WeakPolarHBondContact O-CB 3.49Å; A744-K748 PolarHBondContact O-N 2.89Å
745R97.1Very high95.8Very high143 Ų14352.2 Ų52.254%0.5425%0.251SS..Hα-helixtrans-63.1-43.7175.2-173.7179.5-178.8-172.10.8112.3Y405 T741 T742 E743 K748 N749Y405-R745 HydrophobicContact CD2-CB 3.82Å; Y405-R745 HydrophobicContact CD2-CG 4.48Å; Y405-R745 HydrophobicContact CE2-CB 3.89Å; Y405-R745 HydrophobicContact CE2-CG 4.19Å; T741-R745 WeakPolarHBondContact O-CB 3.43Å; T741-R745 PolarHBondContact O-N 3.41Å; T742-R745 PolarHBondContact O-N 3.44Å; E743-R745 VanDerWaalsContact C-N 3.3Å; E743-R745 PolarHBondContact O-N 3.01Å; R745-K748 PolarHBondContact O-N 3.37Å; R745-N749 VanDerWaalsContact O-CG 3.26Å; R745-N749 PolarHBondContact O-N 3.22Å; R745-N749 PolarHBondContact O-ND2 3.17Å
746K97.4Very high95.7Very high98 Ų9851.7 Ų51.743%0.42625%0.248SC..Hα-helixtrans-60.4-48.7177.5177.8-167.9169.9-149.20110.9E51 T742 E743 N749 R750E51-K746 IonicContact OE1-NZ 3.66Å; E51-K746 PolarHBondContact OE1-NZ 3.02Å; T742-K746 WeakPolarHBondContact O-CB 3.43Å; T742-K746 PolarHBondContact O-N 2.95Å; E743-K746 WeakPolarHBondContact O-CB 3.48Å; E743-K746 PolarHBondContact O-N 3Å; E743-K746 IonicContact OE2-NZ 2.67Å; K746-N749 PolarHBondContact O-N 3.23Å; K746-R750 PolarHBondContact O-N 2.91Å
747L97.3Very high95.9Very high1 Ų150.8 Ų50.81%0.00525%0.251CS..Hα-helixtrans-64.5-41.3178.5-70.8172.8000112Y48 E51 F55 M401 E743 A744 N749 R750 A751Y48-L747 HydrophobicContact CD2-CD2 4.14Å; Y48-L747 HydrophobicContact CE2-CB 4.16Å; Y48-L747 HydrophobicContact CE2-CD2 4.12Å; Y48-L747 WeakPolarHBondContact CE2-O 3.41Å; E51-L747 HydrophobicContact CB-CD2 4.12Å; E51-L747 HydrophobicContact CG-CD2 3.89Å; F55-L747 HydrophobicContact CB-CD1 3.94Å; F55-L747 HydrophobicContact CD1-CD1 3.75Å; F55-L747 HydrophobicContact CE1-CD1 4.44Å; F55-L747 HydrophobicContact CG-CD1 3.92Å; M401-L747 HydrophobicContact CE-CD1 3.93Å; M401-L747 HydrophobicContact CG-CB 3.86Å; M401-L747 HydrophobicContact SD-CB 3.99Å; M401-L747 HydrophobicContact SD-CD1 3.71Å; E743-L747 WeakPolarHBondContact O-CG 3.39Å; E743-L747 PolarHBondContact O-N 3.24Å; A744-L747 PolarHBondContact O-N 3.41Å; L747-N749 PolarHBondContact O-N 3.43Å; L747-R750 PolarHBondContact O-N 3.25Å; L747-A751 PolarHBondContact O-N 3.1Å; L747-A751 VanDerWaalsContact O-N 3.08Å
748K96Very high95.9Very high36 Ų3650.8 Ų50.816%0.15725%0.251CS..Hα-helixtrans-57.6-46173177.4176.1126.5158.90112.2R398 M401 E402 A744 R745 A751 N752R398-K748 HydrophobicContact CG-CG 4.31Å; M401-K748 HydrophobicContact CB-CB 4.17Å; E402-K748 HydrophobicContact CB-CD 4Å; E402-K748 HydrophobicContact CG-CD 4.22Å; E402-K748 IonicContact OE1-NZ 2.69Å; E402-K748 PolarHBondContact OE1-NZ 2.8Å; A744-K748 VanDerWaalsContact O-CB 3.3Å; A744-K748 WeakPolarHBondContact O-CB 3.49Å; A744-K748 PolarHBondContact O-N 2.89Å; R745-K748 PolarHBondContact O-N 3.37Å; K748-A751 WeakPolarHBondContact O-CB 3.12Å; K748-A751 PolarHBondContact O-N 3.14Å; K748-N752 PolarHBondContact O-N 3.18Å
749N95.9Very high95.8Very high72 Ų7250 Ų5039%0.38525%0.247SC..Hα-helixtrans-66.2-38.4179.1-70.7-19.6000112.2R745 K746 L747 A751 N752 N753R745-N749 VanDerWaalsContact O-CG 3.26Å; R745-N749 PolarHBondContact O-N 3.22Å; R745-N749 PolarHBondContact O-ND2 3.17Å; K746-N749 PolarHBondContact O-N 3.23Å; L747-N749 PolarHBondContact O-N 3.43Å; N749-A751 VanDerWaalsContact C-N 3.27Å; N749-A751 PolarHBondContact O-N 3.34Å; N749-N752 PolarHBondContact O-N 3.36Å; N749-N753 PolarHBondContact O-N 3.32Å
750R96.9Very high95.8Very high67 Ų6752 Ų5225%0.25326%0.255SS..Hα-helixtrans-60.5-39175.1-170.4171.2179-167.9-2.7111.4S47 Y48 E51 K746 L747 N753 L754S47-R750 VanDerWaalsContact CB-NH2 3.33Å; S47-R750 PolarHBondContact OG-NH2 3.03Å; Y48-R750 HydrophobicContact CD2-CB 4.18Å; Y48-R750 HydrophobicContact CD2-CG 4.06Å; Y48-R750 HydrophobicContact CE2-CB 4.49Å; E51-R750 IonicContact OE2-CZ 2.86Å; E51-R750 IonicContact OE2-NH1 2.8Å; E51-R750 PolarHBondContact OE2-NH1 3.4Å; K746-R750 PolarHBondContact O-N 2.91Å; L747-R750 PolarHBondContact O-N 3.25Å; R750-N753 PolarHBondContact O-N 3.33Å; R750-L754 WeakPolarHBondContact O-CG 3.47Å; R750-L754 PolarHBondContact O-N 2.82Å; R750-L754 VanDerWaalsContact O-N 3.08Å
751A96.9Very high95.8Very high1 Ų152 Ų521%0.00826%0.255CS..Hα-helixtrans-62.7-41.6175.600000113Y48 V394 R398 L747 K748 N749 N753 L754 G755Y48-A751 HydrophobicContact CE1-CB 4.03Å; Y48-A751 HydrophobicContact CE2-CB 4.26Å; Y48-A751 WeakPolarHBondContact OH-CB 3.38Å; V394-A751 HydrophobicContact CG1-CB 3.97Å; V394-A751 VanDerWaalsContact CG1-O 3.28Å; V394-A751 WeakPolarHBondContact CG1-O 3.42Å; R398-A751 HydrophobicContact CB-CB 3.63Å; R398-A751 HydrophobicContact CG-CB 3.81Å; L747-A751 PolarHBondContact O-N 3.1Å; L747-A751 VanDerWaalsContact O-N 3.08Å; K748-A751 WeakPolarHBondContact O-CB 3.12Å; K748-A751 PolarHBondContact O-N 3.14Å; N749-A751 VanDerWaalsContact C-N 3.27Å; N749-A751 PolarHBondContact O-N 3.34Å; A751-N753 VanDerWaalsContact C-N 3.31Å; A751-N753 PolarHBondContact O-N 2.95Å; A751-L754 PolarHBondContact O-N 2.88Å; A751-G755 PolarHBondContact O-N 3.41Å
752N94.9Very high95.6Very high66 Ų6653.1 Ų53.135%0.35326%0.26SS..Hα-helixtrans-60.1-42.2175.8-72.1-23.8000111.8R398 K748 N749 G755 N756R398-N752 WeakPolarHBondContact CD-OD1 3.4Å; K748-N752 PolarHBondContact O-N 3.18Å; N749-N752 PolarHBondContact O-N 3.36Å; N752-G755 PolarHBondContact O-N 3.27Å; N752-N756 PolarHBondContact O-N 3.28Å; N752-N756 PolarHBondContact O-ND2 3Å
753N95.7Very high95.4Very high106 Ų10655.2 Ų55.257%0.56726%0.264SS*.Hα-helixtrans-62.3-45.4176.6-67.1-17.2000111.2N749 R750 A751 G755 N756 V757N749-N753 PolarHBondContact O-N 3.32Å; R750-N753 PolarHBondContact O-N 3.33Å; A751-N753 VanDerWaalsContact C-N 3.31Å; A751-N753 PolarHBondContact O-N 2.95Å; N753-G755 VanDerWaalsContact C-N 3.35Å; N753-G755 PolarHBondContact O-N 2.98Å; N753-N756 PolarHBondContact O-N 3.04Å; N753-V757 WeakPolarHBondContact O-CG2 3.47Å; N753-V757 PolarHBondContact O-N 2.73Å
754L96.9Very high95.1Very high12 Ų1255.4 Ų55.46%0.06327%0.269CS..Hα-helixtrans-62.9-39.8176.7-71.1172.3000112.5D44 I45 Y48 V394 R750 A751 N756 V757 L758D44-L754 HydrophobicContact CB-CD2 3.77Å; I45-L754 HydrophobicContact CG1-CD1 4.23Å; I45-L754 HydrophobicContact CG1-CD2 4.22Å; Y48-L754 HydrophobicContact CD1-CD1 3.66Å; Y48-L754 HydrophobicContact CG-CD1 3.7Å; V394-L754 HydrophobicContact CG1-CB 4Å; V394-L754 HydrophobicContact CG2-CB 4.19Å; V394-L754 HydrophobicContact CG2-CD1 4.38Å; R750-L754 WeakPolarHBondContact O-CG 3.47Å; R750-L754 PolarHBondContact O-N 2.82Å; R750-L754 VanDerWaalsContact O-N 3.08Å; A751-L754 PolarHBondContact O-N 2.88Å; L754-N756 VanDerWaalsContact C-N 3.31Å; L754-N756 PolarHBondContact O-N 3.15Å; L754-V757 PolarHBondContact O-N 3.38Å; L754-L758 PolarHBondContact O-N 2.72Å
755G94.8Very high94.8Very high8 Ų855.5 Ų55.58%0.08227%0.269CS..Hα-helixtrans-59-41.7173.900000112.5A751 N752 N753 L758 N759A751-G755 PolarHBondContact O-N 3.41Å; N752-G755 PolarHBondContact O-N 3.27Å; N753-G755 VanDerWaalsContact C-N 3.35Å; N753-G755 PolarHBondContact O-N 2.98Å; G755-L758 PolarHBondContact O-N 3.01Å; G755-N759 VanDerWaalsContact O-CG 3.24Å; G755-N759 PolarHBondContact O-N 2.89Å; G755-N759 PolarHBondContact O-ND2 3.39Å
756N94.9Very high94.4Very high102 Ų10250 Ų5055%0.54525%0.25SS..Hα-helixtrans-66.8-41.2176.3-68-22.1000112.4N752 N753 L754 N759 K760N752-N756 PolarHBondContact O-N 3.28Å; N752-N756 PolarHBondContact O-ND2 3Å; N753-N756 PolarHBondContact O-N 3.04Å; L754-N756 VanDerWaalsContact C-N 3.31Å; L754-N756 PolarHBondContact O-N 3.15Å; N756-N759 PolarHBondContact O-N 2.95Å; N756-K760 PolarHBondContact O-N 3.11Å
757V95.9Very high93.8Very high62 Ų6250.6 Ų50.638%0.37626%0.258SS..Hα-helixtrans-63.5-42.9177174.70000110.8I41 N753 L754 K760 F761I41-V757 HydrophobicContact CD1-CG1 3.69Å; I41-V757 HydrophobicContact CG1-CG1 3.61Å; N753-V757 WeakPolarHBondContact O-CG2 3.47Å; N753-V757 PolarHBondContact O-N 2.73Å; L754-V757 PolarHBondContact O-N 3.38Å; V757-K760 PolarHBondContact O-N 3.49Å; V757-F761 PolarHBondContact O-N 2.73Å
758L95.2Very high92.6Very high1 Ų155.1 Ų55.11%0.00528%0.282CS..Hα-helixtrans-64.1-40175.4-78.8165.5000112.9I41 I45 K391 V394 L754 G755 F761 H762I41-L758 HydrophobicContact CG2-CD2 3.69Å; I41-L758 HydrophobicContact CG2-CG 3.94Å; I45-L758 HydrophobicContact CD1-CD1 3.94Å; I45-L758 HydrophobicContact CD1-CD2 4.35Å; I45-L758 HydrophobicContact CD1-CG 4.42Å; K391-L758 HydrophobicContact CB-CD1 4.05Å; V394-L758 HydrophobicContact CG2-CD1 4.29Å; L754-L758 PolarHBondContact O-N 2.72Å; G755-L758 PolarHBondContact O-N 3.01Å; L758-F761 WeakPolarHBondContact O-CB 3.46Å; L758-F761 PolarHBondContact O-N 2.75Å; L758-H762 WeakPolarHBondContact O-CB 3.14Å; L758-H762 PolarHBondContact O-N 3.03Å
759N93.4Very high90.9Very high52 Ų5254.5 Ų54.528%0.27828%0.281SS..Hα-helixtrans-62.5-44.6174.6-71-25.8000111.2K391 G755 N756 F761 H762 E763K391-N759 VanDerWaalsContact CE-OD1 3.23Å; K391-N759 WeakPolarHBondContact CE-OD1 3.39Å; K391-N759 PolarHBondContact NZ-OD1 3.33Å; G755-N759 VanDerWaalsContact O-CG 3.24Å; G755-N759 PolarHBondContact O-N 2.89Å; G755-N759 PolarHBondContact O-ND2 3.39Å; N756-N759 PolarHBondContact O-N 2.95Å; N759-F761 VanDerWaalsContact C-N 3.32Å; N759-F761 PolarHBondContact O-N 3Å; N759-H762 WeakPolarHBondContact O-CB 3.45Å; N759-H762 PolarHBondContact O-N 3.15Å; N759-H762 VanDerWaalsContact O-N 3.15Å; N759-E763 WeakPolarHBondContact O-CG 3.19Å; N759-E763 PolarHBondContact O-N 3.19Å
760K93.6Very high89.3Confident132 Ų13253.6 Ų53.657%0.57427%0.272SS*.Hα-helixtrans-60.6-41.9176.5-173.4-178.1178.2-171.50111.7N756 V757 E763 T764N756-K760 PolarHBondContact O-N 3.11Å; V757-K760 PolarHBondContact O-N 3.49Å; K760-E763 PolarHBondContact O-N 3.43Å; K760-T764 VanDerWaalsContact O-CB 3.27Å; K760-T764 WeakPolarHBondContact O-CB 3.41Å; K760-T764 PolarHBondContact O-N 2.96Å; K760-T764 PolarHBondContact O-OG1 2.79Å
761F94.6Very high87.3Confident0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-59-47.8173.9177.3-88.8000111.2A34 E37 L38 I41 F383 V757 L758 N759 E763 T764 F765 I766A34-F761 HydrophobicContact CB-CE2 4.18Å; A34-F761 HydrophobicContact CB-CZ 4.23Å; A34-F761 WeakPolarHBondContact O-CE2 2.77Å; E37-F761 HydrophobicContact CB-CD2 4.39Å; E37-F761 HydrophobicContact CB-CE2 4.43Å; E37-F761 HydrophobicContact CG-CD2 4.21Å; L38-F761 HydrophobicContact CB-CD2 4.45Å; L38-F761 HydrophobicContact CB-CE1 4.48Å; L38-F761 HydrophobicContact CB-CE2 3.74Å; L38-F761 HydrophobicContact CB-CZ 3.76Å; L38-F761 HydrophobicContact CD1-CD1 4.1Å; L38-F761 HydrophobicContact CD1-CE1 3.92Å; L38-F761 HydrophobicContact CD1-CE2 4.34Å; L38-F761 HydrophobicContact CD1-CG 4.41Å; L38-F761 HydrophobicContact CD1-CZ 4.05Å; L38-F761 HydrophobicContact CD2-CE1 4.33Å; L38-F761 HydrophobicContact CD2-CZ 4.15Å; L38-F761 HydrophobicContact CG-CE1 4.47Å; L38-F761 HydrophobicContact CG-CZ 4.2Å; I41-F761 HydrophobicContact CD1-CB 3.85Å; I41-F761 HydrophobicContact CD1-CD2 4.03Å; I41-F761 HydrophobicContact CD1-CG 4.11Å; F383-F761 HydrophobicContact CB-CE1 4.23Å; F383-F761 HydrophobicContact CB-CZ 4.15Å; V757-F761 PolarHBondContact O-N 2.73Å; L758-F761 WeakPolarHBondContact O-CB 3.46Å; L758-F761 PolarHBondContact O-N 2.75Å; N759-F761 VanDerWaalsContact C-N 3.32Å; N759-F761 PolarHBondContact O-N 3Å; F761-E763 PolarHBondContact O-N 2.78Å; F761-T764 PolarHBondContact O-N 3.46Å; F761-F765 AromaticContact CD2-CD2 3.47Å; F761-F765 HydrophobicContact CD2-CD2 3.47Å; F761-F765 VanDerWaalsContact CD2-CD2 3.47Å; F761-F765 AromaticContact CD2-CE2 3.87Å; F761-F765 HydrophobicContact CD2-CE2 3.87Å; F761-F765 HydrophobicContact CD2-CG 4.46Å; F761-F765 HydrophobicContact CE2-CB 4.42Å; F761-F765 AromaticContact CE2-CD2 3.52Å; F761-F765 HydrophobicContact CE2-CD2 3.52Å; F761-F765 HydrophobicContact CE2-CE2 4.02Å; F761-F765 HydrophobicContact CE2-CG 4.14Å; F761-F765 HydrophobicContact CG-CD2 4.11Å; F761-F765 HydrophobicContact CZ-CB 4.28Å; F761-F765 HydrophobicContact CZ-CD2 4.21Å; F761-F765 HydrophobicContact CZ-CG 4.47Å; F761-F765 WeakPolarHBondContact O-CD2 3.23Å; F761-F765 PolarHBondContact O-N 3.23Å; F761-I766 HydrophobicContact CE1-CD1 4.47Å; F761-I766 HydrophobicContact CE1-CG1 4.44Å
762H92.1Very high84.8Confident35 Ų3564.2 Ų64.216%0.16233%0.329CS..Hα-helixtrans-61.5-44179.9-164.795.8000112E388 L758 N759 I766 L767E388-H762 IonicContact OE1-CE1 3.76Å; E388-H762 IonicContact OE1-ND1 2.76Å; L758-H762 WeakPolarHBondContact O-CB 3.14Å; L758-H762 PolarHBondContact O-N 3.03Å; N759-H762 WeakPolarHBondContact O-CB 3.45Å; N759-H762 PolarHBondContact O-N 3.15Å; N759-H762 VanDerWaalsContact O-N 3.15Å; H762-I766 WeakPolarHBondContact O-CA 3.26Å; H762-I766 VanDerWaalsContact O-CB 3.25Å; H762-I766 WeakPolarHBondContact O-CB 3.46Å; H762-I766 PolarHBondContact O-N 3.5Å; H762-L767 PolarHBondContact O-N 3.2Å
763E91.2Very high82Confident118 Ų11867.1 Ų67.155%0.55135%0.351SS*.Iπ-helixtrans-62-46.4175.1-72.2171.9-175.800112N759 K760 F761 N768N759-E763 WeakPolarHBondContact O-CG 3.19Å; N759-E763 PolarHBondContact O-N 3.19Å; K760-E763 PolarHBondContact O-N 3.43Å; F761-E763 PolarHBondContact O-N 2.78Å; E763-N768 PolarHBondContact O-N 3.47Å
764T90.2Very high78.9Confident51 Ų5173.2 Ų73.231%0.31338%0.384SS..Iπ-helixtrans-74.5-33.1-172-54.10000113.7K30 K760 F761 P769K30-T764 VanDerWaalsContact CE-O 3.27Å; K30-T764 WeakPolarHBondContact CE-O 3.43Å; K30-T764 PolarHBondContact NZ-O 3.08Å; K30-T764 VanDerWaalsContact NZ-O 3.12Å; K760-T764 VanDerWaalsContact O-CB 3.27Å; K760-T764 WeakPolarHBondContact O-CB 3.41Å; K760-T764 PolarHBondContact O-N 2.96Å; K760-T764 PolarHBondContact O-OG1 2.79Å; F761-T764 PolarHBondContact O-N 3.46Å; T764-P769 WeakPolarHBondContact O-CA 3.4Å
765F90.5Very high78Confident3 Ų376.3 Ų76.31%0.01340%0.4CS..Iπ-helixtrans-119.1-20.4-171.4-62.6-76.1000114.7K30 E33 A34 E37 T379 F761 P769K30-F765 HydrophobicContact CD-CD1 4.29Å; K30-F765 HydrophobicContact CD-CE1 4.44Å; K30-F765 HydrophobicContact CG-CD1 3.84Å; K30-F765 HydrophobicContact CG-CE1 3.72Å; E33-F765 HydrophobicContact CB-CE1 4.35Å; E33-F765 HydrophobicContact CG-CE1 4.27Å; E33-F765 HydrophobicContact CG-CZ 4.07Å; A34-F765 HydrophobicContact CB-CB 4.19Å; A34-F765 HydrophobicContact CB-CD1 3.49Å; A34-F765 VanDerWaalsContact CB-CD1 3.49Å; A34-F765 HydrophobicContact CB-CD2 4.37Å; A34-F765 HydrophobicContact CB-CE1 3.87Å; A34-F765 HydrophobicContact CB-CG 3.77Å; A34-F765 HydrophobicContact CB-CZ 4.47Å; E37-F765 VanDerWaalsContact OE2-CE2 3.23Å; E37-F765 WeakPolarHBondContact OE2-CE2 2.86Å; E37-F765 WeakPolarHBondContact OE2-CZ 3.2Å; T379-F765 HydrophobicContact CG2-CB 4.09Å; T379-F765 VanDerWaalsContact CG2-O 3.31Å; T379-F765 WeakPolarHBondContact CG2-O 3.44Å; F761-F765 AromaticContact CD2-CD2 3.47Å; F761-F765 HydrophobicContact CD2-CD2 3.47Å; F761-F765 VanDerWaalsContact CD2-CD2 3.47Å; F761-F765 AromaticContact CD2-CE2 3.87Å; F761-F765 HydrophobicContact CD2-CE2 3.87Å; F761-F765 HydrophobicContact CD2-CG 4.46Å; F761-F765 HydrophobicContact CE2-CB 4.42Å; F761-F765 AromaticContact CE2-CD2 3.52Å; F761-F765 HydrophobicContact CE2-CD2 3.52Å; F761-F765 HydrophobicContact CE2-CE2 4.02Å; F761-F765 HydrophobicContact CE2-CG 4.14Å; F761-F765 HydrophobicContact CG-CD2 4.11Å; F761-F765 HydrophobicContact CZ-CB 4.28Å; F761-F765 HydrophobicContact CZ-CD2 4.21Å; F761-F765 HydrophobicContact CZ-CG 4.47Å; F761-F765 WeakPolarHBondContact O-CD2 3.23Å; F761-F765 PolarHBondContact O-N 3.23Å; F765-P769 WeakPolarHBondContact O-CB 3.38Å
766I89Confident77.1Confident26 Ų2679.9 Ų79.913%0.13342%0.417CS..Iπ-helixtrans-108.4-48.2-175.6-50.4-59.3000112.1T379 F383 A384 F761 H762T379-I766 HydrophobicContact CG2-CD1 4.23Å; F383-I766 HydrophobicContact CB-CD1 4.36Å; A384-I766 HydrophobicContact CB-CD1 4.05Å; A384-I766 HydrophobicContact CB-CG1 4.39Å; A384-I766 HydrophobicContact CB-CG2 3.9Å; F761-I766 HydrophobicContact CE1-CD1 4.47Å; F761-I766 HydrophobicContact CE1-CG1 4.44Å; H762-I766 WeakPolarHBondContact O-CA 3.26Å; H762-I766 VanDerWaalsContact O-CB 3.25Å; H762-I766 WeakPolarHBondContact O-CB 3.46Å; H762-I766 PolarHBondContact O-N 3.5Å
767L84.1Confident76.1Confident112 Ų11278.7 Ų78.759%0.58641%0.41SS*.Iπ-helixtrans-84.6-55.2-178.8-68174.1000112.3H762 P769H762-L767 PolarHBondContact O-N 3.2Å; L767-P769 VanDerWaalsContact O-CD 3.31Å; L767-P769 WeakPolarHBondContact O-CD 3.4Å
768N71.3Confident75Confident96 Ų9679.6 Ų79.651%0.51341%0.412SS..SBendtrans-121.659.4178.2-63.75.7000110.3E763 D771E763-N768 PolarHBondContact O-N 3.47Å; N768-D771 PolarHBondContact ND2-OD2 3.34Å
769P60.1Low73.7Confident22 Ų2284.6 Ų84.614%0.14344%0.437CS..THydrogen-bonded Turntrans-58160.4157.133.8-32.4000106.6K30 T764 F765 L767 D771K30-P769 HydrophobicContact CD-CB 4.41Å; T764-P769 WeakPolarHBondContact O-CA 3.4Å; F765-P769 WeakPolarHBondContact O-CB 3.38Å; L767-P769 VanDerWaalsContact O-CD 3.31Å; L767-P769 WeakPolarHBondContact O-CD 3.4Å; P769-D771 PolarHBondContact O-N 2.95Å
770W62.7Low72.4Confident53 Ų5386.7 Ų86.720%0.20145%0.447CS..THydrogen-bonded Turntrans66-2.6168.9-22.4120.2000123.5H27 K30 S375 E376 E772H27-W770 VanDerWaalsContact CA-CZ3 3.46Å; H27-W770 HydrophobicContact CB-CE3 4.41Å; H27-W770 HydrophobicContact CB-CH2 3.63Å; H27-W770 HydrophobicContact CB-CZ2 4.36Å; H27-W770 HydrophobicContact CB-CZ3 3.65Å; H27-W770 AromaticContact CE1-CD2 3.13Å; H27-W770 AromaticContact CE1-CE2 3.74Å; H27-W770 AromaticContact CE1-CE3 3.16Å; H27-W770 AromaticContact CE1-CG 3.43Å; H27-W770 VanDerWaalsContact CE1-CG 3.43Å; H27-W770 AromaticContact CE1-CZ3 3.75Å; H27-W770 AromaticContact CG-CE3 3.64Å; H27-W770 AromaticContact CG-CH2 3.7Å; H27-W770 AromaticContact CG-CZ3 3.38Å; H27-W770 AromaticContact ND1-CD2 3.08Å; H27-W770 AromaticContact ND1-CE2 3.28Å; H27-W770 VanDerWaalsContact ND1-CE2 3.28Å; H27-W770 AromaticContact ND1-CE3 3Å; H27-W770 AromaticContact ND1-CG 3.84Å; H27-W770 AromaticContact ND1-CH2 3.31Å; H27-W770 VanDerWaalsContact ND1-CH2 3.31Å; H27-W770 WeakPolarHBondContact ND1-CH2 3.42Å; H27-W770 AromaticContact ND1-CZ2 3.42Å; H27-W770 WeakPolarHBondContact ND1-CZ2 3.47Å; H27-W770 AromaticContact ND1-CZ3 3.1Å; H27-W770 WeakPolarHBondContact ND1-CZ3 3.44Å; H27-W770 AromaticContact NE2-CE3 3.87Å; H27-W770 WeakPolarHBondContact O-CH2 3.35Å; K30-W770 HydrophobicContact CB-CE3 4.43Å; K30-W770 HydrophobicContact CB-CH2 3.56Å; K30-W770 HydrophobicContact CB-CZ3 3.33Å; K30-W770 HydrophobicContact CD-CD2 4.18Å; K30-W770 HydrophobicContact CD-CE3 3.41Å; K30-W770 VanDerWaalsContact CD-CE3 3.41Å; K30-W770 HydrophobicContact CD-CH2 3.62Å; K30-W770 HydrophobicContact CD-CZ2 4.34Å; K30-W770 HydrophobicContact CD-CZ3 3.1Å; K30-W770 HydrophobicContact CG-CE3 4.47Å; K30-W770 HydrophobicContact CG-CH2 3.96Å; K30-W770 HydrophobicContact CG-CZ3 3.71Å; K30-W770 VanDerWaalsContact NZ-N 3.13Å; S375-W770 WeakPolarHBondContact OG-CH2 3.47Å; E376-W770 HydrophobicContact CB-CZ2 4.29Å; E376-W770 HydrophobicContact CG-CZ2 3.87Å; E376-W770 PolarHBondContact OE1-NE1 3.04Å; W770-E772 PolarHBondContact O-N 3.18Å
771D55.8Low70.9Confident120 Ų12083.5 Ų83.564%0.64244%0.438SS*.  trans-66.1105.3161.1-82.8-25.9000107.3N768 P769N768-D771 PolarHBondContact ND2-OD2 3.34Å; P769-D771 PolarHBondContact O-N 2.95Å
772E43.3Very low69Low171 Ų17189.9 Ų89.980%0.79947%0.472SS*.  trans-60.8136.3169.5-75.8-172.5163.100107.9W770 N774W770-E772 PolarHBondContact O-N 3.18Å; E772-N774 PolarHBondContact O-N 3.01Å
773P37.6Very low67.1Low127 Ų12794.5 Ų94.583%0.82550%0.498SS*.  trans-61.9109169.425.7-29.6000107.3
774N29.7Very low64.9Low235 Ų23592.4 Ų92.4100%1.25749%0.493SS*.  trans-47.30171-86.7-33000112.4E772E772-N774 PolarHBondContact O-N 3.01Å

Retrieved 774 of 774 residues in 235.9 ms (Link to these results)

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