A0A087Y617_POEFO Loading...

RUS family member 1

AlphaFold DB , UniProt , Accession A0A087Y617, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 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
1M35Very low63.4Low243 Ų243119.5 Ų119.5100%1.19769%0.686SS**  096.10-87.7174.1153.500107.1
2D38.8Very low65.7Low148 Ų148115.7 Ų115.779%0.79166%0.658SS**  trans-73.8136.8173-86.6-23.8000109.6N4D2-N4 PolarHBondContact O-N 2.72Å
3K43.8Very low67.1Low210 Ų210121.3 Ų121.391%0.91366%0.662SS**SBendtrans-70.916.7-162.7-84.4-178.6172178.70116.6
4N47.2Very low68.2Low158 Ų158122.1 Ų122.185%0.84565%0.652SS**SBendtrans-139.392.6170.4-92.6-20.1000108.7D2 G6D2-N4 PolarHBondContact O-N 2.72Å; N4-G6 VanDerWaalsContact C-N 3.32Å; N4-G6 PolarHBondContact O-N 2.88Å
5G48Very low68.8Low88 Ų88116.8 Ų116.891%0.90764%0.638SS**  trans-72.664.5-165.800000116.5
6G60.2Low69.2Low31 Ų31114.1 Ų114.132%0.3263%0.63SS.*  trans-95.9133.4159.200000110.5N4 V8N4-G6 VanDerWaalsContact C-N 3.32Å; N4-G6 PolarHBondContact O-N 2.88Å; G6-V8 PolarHBondContact O-N 3.12Å
7L74.8Confident69.2Low131 Ų131110.7 Ų110.769%0.68663%0.628SS**  trans-61.8121.7172.1-176.277.1000109L9 S23 V24L7-L9 HydrophobicContact CD2-CD2 4.09Å; L7-L9 PolarHBondContact O-N 3.08Å; L7-S23 WeakPolarHBondContact O-CA 3.36Å; L7-V24 PolarHBondContact O-N 3.5Å
8V81.3Confident69.9Low77 Ų77106.8 Ų106.847%0.46760%0.603SS.*EExtended strand (participates in β ladder)trans-72.6115172178.60000108G6 T11 Y22G6-V8 PolarHBondContact O-N 3.12Å; V8-T11 HydrophobicContact CG1-CG2 4.29Å; V8-Y22 CarbonylContact C-O 3.58Å; V8-Y22 WeakPolarHBondContact CA-O 3.44Å
9L88.1Confident70.7Confident90 Ų90103.1 Ų103.147%0.47158%0.583SS.*EExtended strand (participates in β ladder)trans-83.1-40.7-179.9-65.7-179.2000112.2L7 Y22 V24 M29L7-L9 HydrophobicContact CD2-CD2 4.09Å; L7-L9 PolarHBondContact O-N 3.08Å; L9-Y22 PolarHBondContact N-O 3.02Å; L9-V24 HydrophobicContact CD1-CG2 3.33Å; L9-V24 HydrophobicContact CD2-CG2 3.98Å; L9-V24 HydrophobicContact CG-CG2 3.7Å; L9-M29 HydrophobicContact CD1-CE 4.19Å
10A90.2Very high71.6Confident50 Ų50100.5 Ų100.541%0.41356%0.564SS.*EExtended strand (participates in β ladder)trans-157.5159.1-174.800000110.8Y22A10-Y22 HydrophobicContact CB-CD2 4.43Å; A10-Y22 PolarHBondContact O-N 3.1Å
11T89.8Confident72.5Confident88 Ų8898.5 Ų98.554%0.5455%0.549SS..EExtended strand (participates in β ladder)trans-122.7134.4168.859.30000109.6V8 W20 K21V8-T11 HydrophobicContact CG1-CG2 4.29Å; T11-W20 CarbonylContact C-O 3.39Å; T11-W20 VanDerWaalsContact CA-O 3.23Å; T11-W20 WeakPolarHBondContact CA-O 3.41Å; T11-K21 HydrophobicContact CG2-CG 4.12Å
12E91Very high75.2Confident74 Ų7489.2 Ų89.235%0.34650%0.501SS..EExtended strand (participates in β ladder)trans-113.1144.2174.9175.2-167.1-145.800108.8T19 W20 Y22 R31E12-T19 CarbonylContact O-C 3.54Å; E12-T19 WeakPolarHBondContact O-CA 3.3Å; E12-W20 HydrophobicContact CB-CB 4.34Å; E12-W20 PolarHBondContact N-O 3.01Å; E12-W20 PolarHBondContact O-N 2.93Å; E12-Y22 HydrophobicContact CB-CE2 3.65Å; E12-Y22 PolarHBondContact OE2-OH 2.87Å; E12-R31 IonicContact OE1-NH2 2.77Å; E12-R31 IonicContact OE2-CZ 3.85Å; E12-R31 VanDerWaalsContact OE2-CZ 3.25Å; E12-R31 IonicContact OE2-NE 2.77Å; E12-R31 PolarHBondContact OE2-NE 3.49Å; E12-R31 IonicContact OE2-NH2 3.68Å; E12-R31 PolarHBondContact OE2-NH2 3.43Å
13R84.8Confident77.6Confident189 Ų18983.3 Ų83.371%0.71347%0.471SS*.EExtended strand (participates in β ladder)trans-120.8133.1172.6-65.4-175.3179171.70.7109.8Q18 T19R13-Q18 CarbonylContact C-O 3.54Å; R13-Q18 WeakPolarHBondContact CA-O 3.47Å; R13-T19 HydrophobicContact CG-CG2 4.14Å
14Y81.4Confident79.7Confident132 Ų13276 Ų7652%0.51844%0.444SS..EExtended strand (participates in β ladder)trans-103.496.4167.4-175.2-93.6000108.1Q18 Q56Y14-Q18 PolarHBondContact N-O 3.38Å; Y14-Q18 PolarHBondContact O-N 3.41Å; Y14-Q56 PolarHBondContact OH-NE2 2.91Å
15G78.2Confident81.3Confident43 Ų4371.2 Ų71.244%0.44342%0.423SS..THydrogen-bonded Turntrans58.7-149.5-170.200000112.3
16S74.8Confident83Confident73 Ų7374.5 Ų74.551%0.5142%0.42SS..THydrogen-bonded Turntrans-86.1-14.9173.4520000113.9E60S16-E60 WeakPolarHBondContact CB-OE1 3.32Å; S16-E60 VanDerWaalsContact OG-CD 3.23Å; S16-E60 PolarHBondContact OG-OE1 3.05Å; S16-E60 PolarHBondContact OG-OE2 3.23Å
17G69.6Low84Confident57 Ų5776.6 Ų76.659%0.58844%0.441SS*.THydrogen-bonded Turntrans-90.7-18.8-169.100000116.1
18Q81.1Confident84.4Confident40 Ų4075.1 Ų75.119%0.18744%0.437CS..EExtended strand (participates in β ladder)trans-139.6132.2-177.6-41.5-172.8-4.200111.8R13 Y14R13-Q18 CarbonylContact C-O 3.54Å; R13-Q18 WeakPolarHBondContact CA-O 3.47Å; Y14-Q18 PolarHBondContact N-O 3.38Å; Y14-Q18 PolarHBondContact O-N 3.41Å
19T85Confident84.7Confident37 Ų3777.2 Ų77.223%0.22744%0.444CS..EExtended strand (participates in β ladder)trans-121.3139.3171.6-57.50000108.9E12 R13 D34E12-T19 CarbonylContact O-C 3.54Å; E12-T19 WeakPolarHBondContact O-CA 3.3Å; R13-T19 HydrophobicContact CG-CG2 4.14Å; T19-D34 HydrophobicContact CG2-CB 4.29Å; T19-D34 WeakPolarHBondContact O-CB 3.4Å; T19-D34 PolarHBondContact O-N 3.24Å
20W88.3Confident84.8Confident50 Ų5078.7 Ų78.719%0.18945%0.446CS..EExtended strand (participates in β ladder)trans-124.2140.9179.2-60.683.9000109.1T11 E12 R31 T32 R33T11-W20 CarbonylContact C-O 3.39Å; T11-W20 VanDerWaalsContact CA-O 3.23Å; T11-W20 WeakPolarHBondContact CA-O 3.41Å; E12-W20 HydrophobicContact CB-CB 4.34Å; E12-W20 PolarHBondContact N-O 3.01Å; E12-W20 PolarHBondContact O-N 2.93Å; W20-R31 HydrophobicContact CB-CG 4.23Å; W20-R31 HydrophobicContact CD2-CG 4.33Å; W20-R31 HydrophobicContact CE3-CG 3.75Å; W20-R31 HydrophobicContact CZ3-CG 4.45Å; W20-T32 CarbonylContact C-O 3.55Å; W20-T32 VanDerWaalsContact CA-O 3.31Å; W20-T32 WeakPolarHBondContact CA-O 3.18Å; W20-R33 HydrophobicContact CD2-CB 4.08Å; W20-R33 HydrophobicContact CD2-CG 4.23Å; W20-R33 HydrophobicContact CE3-CB 3.66Å; W20-R33 HydrophobicContact CE3-CG 4.3Å; W20-R33 HydrophobicContact CH2-CB 3.94Å; W20-R33 HydrophobicContact CH2-CG 4.31Å; W20-R33 HydrophobicContact CZ2-CB 4.3Å; W20-R33 HydrophobicContact CZ2-CG 4.19Å; W20-R33 HydrophobicContact CZ3-CB 3.61Å; W20-R33 HydrophobicContact CZ3-CG 4.37Å
21K91.4Very high84.7Confident60 Ų6081.5 Ų81.526%0.26145%0.446SS..EExtended strand (participates in β ladder)trans-111133.6175-71.4173174.4159.30109T11 T32 D34T11-K21 HydrophobicContact CG2-CG 4.12Å; K21-T32 PolarHBondContact N-O 3.23Å; K21-T32 PolarHBondContact O-N 3.06Å; K21-T32 PolarHBondContact O-OG1 3.39Å; K21-D34 VanDerWaalsContact CE-CG 3.45Å; K21-D34 WeakPolarHBondContact CE-OD1 3.14Å; K21-D34 WeakPolarHBondContact CE-OD2 3.42Å; K21-D34 IonicContact NZ-OD1 3.37Å; K21-D34 PolarHBondContact NZ-OD1 3.5Å; K21-D34 IonicContact NZ-OD2 3.94Å; K21-D34 PolarHBondContact NZ-OD2 2.63Å; K21-D34 VanDerWaalsContact NZ-OD2 3.08Å
22Y90.6Very high84.6Confident48 Ų4879.9 Ų79.919%0.18844%0.436CS..EExtended strand (participates in β ladder)trans-102.5118.6173.3-68.1-98.8000108.5V8 L9 A10 E12 M29 K30 R31V8-Y22 CarbonylContact C-O 3.58Å; V8-Y22 WeakPolarHBondContact CA-O 3.44Å; L9-Y22 PolarHBondContact N-O 3.02Å; A10-Y22 HydrophobicContact CB-CD2 4.43Å; A10-Y22 PolarHBondContact O-N 3.1Å; E12-Y22 HydrophobicContact CB-CE2 3.65Å; E12-Y22 PolarHBondContact OE2-OH 2.87Å; Y22-M29 HydrophobicContact CD1-CG 3.84Å; Y22-M29 HydrophobicContact CD1-SD 3.51Å; Y22-M29 VanDerWaalsContact CD1-SD 3.51Å; Y22-M29 HydrophobicContact CE1-SD 4.14Å; Y22-M29 HydrophobicContact CG-SD 4.35Å; Y22-K30 WeakPolarHBondContact CA-O 3.48Å; Y22-R31 HydrophobicContact CD1-CB 4.13Å; Y22-R31 HydrophobicContact CD1-CG 4.32Å; Y22-R31 HydrophobicContact CE1-CB 3.88Å; Y22-R31 HydrophobicContact CE1-CG 3.81Å; Y22-R31 HydrophobicContact CE2-CG 4.21Å; Y22-R31 WeakPolarHBondContact OH-CD 3.43Å; Y22-R31 PolarHBondContact OH-NE 3.12Å
23S90.1Very high84.2Confident23 Ų2380.4 Ų80.416%0.16144%0.435CS..EExtended strand (participates in β ladder)trans-124.9149.5178.658.60000110.6L7 K30L7-S23 WeakPolarHBondContact O-CA 3.36Å; S23-K30 PolarHBondContact N-O 3.46Å; S23-K30 PolarHBondContact O-N 3.41Å
24V87.3Confident83.6Confident58 Ų5875.1 Ų75.135%0.35242%0.421SS..EExtended strand (participates in β ladder)trans-86.3128.3172-175.10000110L7 L9L7-V24 PolarHBondContact O-N 3.5Å; L9-V24 HydrophobicContact CD1-CG2 3.33Å; L9-V24 HydrophobicContact CD2-CG2 3.98Å; L9-V24 HydrophobicContact CG-CG2 3.7Å
25S82.6Confident82.8Confident56 Ų5672.7 Ų72.739%0.39244%0.436SS..EExtended strand (participates in β ladder)trans-133.5127.8165.3-168.60000107.5G27 V28S25-G27 PolarHBondContact O-N 3.12Å; S25-V28 PolarHBondContact N-O 3.38Å; S25-V28 VanDerWaalsContact N-O 3.1Å; S25-V28 PolarHBondContact O-N 3.46Å; S25-V28 VanDerWaalsContact O-O 3.1Å
26D82.6Confident81.5Confident157 Ų15774.2 Ų74.284%0.8444%0.44SS*.THydrogen-bonded Turntrans55.434.8176.1-48.8-59000114.5V28D26-V28 PolarHBondContact O-N 3.43Å
27G80.6Confident80Confident75 Ų7579.6 Ų79.677%0.77346%0.457SS*.THydrogen-bonded Turntrans751.4-177.900000114.9S25S25-G27 PolarHBondContact O-N 3.12Å
28V83.9Confident78.6Confident100 Ų10082.4 Ų82.461%0.60648%0.475SS*.EExtended strand (participates in β ladder)trans-108.3139.1178.6-175.80000110.4S25 D26 K30S25-V28 PolarHBondContact N-O 3.38Å; S25-V28 VanDerWaalsContact N-O 3.1Å; S25-V28 PolarHBondContact O-N 3.46Å; S25-V28 VanDerWaalsContact O-O 3.1Å; D26-V28 PolarHBondContact O-N 3.43Å; V28-K30 PolarHBondContact O-N 3.05Å
29M88.3Confident76.6Confident121 Ų12183.5 Ų83.560%0.59650%0.497SS*.EExtended strand (participates in β ladder)trans-75.4116.9175-171-176.2-67.100110L9 Y22L9-M29 HydrophobicContact CD1-CE 4.19Å; Y22-M29 HydrophobicContact CD1-CG 3.84Å; Y22-M29 HydrophobicContact CD1-SD 3.51Å; Y22-M29 VanDerWaalsContact CD1-SD 3.51Å; Y22-M29 HydrophobicContact CE1-SD 4.14Å; Y22-M29 HydrophobicContact CG-SD 4.35Å
30K88.9Confident74.6Confident121 Ų12190 Ų9053%0.52653%0.529SS..EExtended strand (participates in β ladder)trans-104.4124.7177.1-168.3177.7-178.5176.80110.1Y22 S23 V28 T32Y22-K30 WeakPolarHBondContact CA-O 3.48Å; S23-K30 PolarHBondContact N-O 3.46Å; S23-K30 PolarHBondContact O-N 3.41Å; V28-K30 PolarHBondContact O-N 3.05Å; K30-T32 HydrophobicContact CD-CG2 4.29Å; K30-T32 HydrophobicContact CG-CG2 4.15Å
31R89.1Confident72.8Confident110 Ų11099.9 Ų99.942%0.41557%0.567SS.*EExtended strand (participates in β ladder)trans-92.8122172.9-171.5-177.1-178.2-138.74.4109.2E12 W20 Y22E12-R31 IonicContact OE1-NH2 2.77Å; E12-R31 IonicContact OE2-CZ 3.85Å; E12-R31 VanDerWaalsContact OE2-CZ 3.25Å; E12-R31 IonicContact OE2-NE 2.77Å; E12-R31 PolarHBondContact OE2-NE 3.49Å; E12-R31 IonicContact OE2-NH2 3.68Å; E12-R31 PolarHBondContact OE2-NH2 3.43Å; W20-R31 HydrophobicContact CB-CG 4.23Å; W20-R31 HydrophobicContact CD2-CG 4.33Å; W20-R31 HydrophobicContact CE3-CG 3.75Å; W20-R31 HydrophobicContact CZ3-CG 4.45Å; Y22-R31 HydrophobicContact CD1-CB 4.13Å; Y22-R31 HydrophobicContact CD1-CG 4.32Å; Y22-R31 HydrophobicContact CE1-CB 3.88Å; Y22-R31 HydrophobicContact CE1-CG 3.81Å; Y22-R31 HydrophobicContact CE2-CG 4.21Å; Y22-R31 WeakPolarHBondContact OH-CD 3.43Å; Y22-R31 PolarHBondContact OH-NE 3.12Å
32T87.3Confident70.8Confident53 Ų53101.8 Ų101.833%0.32559%0.587SS.*EExtended strand (participates in β ladder)trans-125139.6177.954.90000109.8W20 K21 K30W20-T32 CarbonylContact C-O 3.55Å; W20-T32 VanDerWaalsContact CA-O 3.31Å; W20-T32 WeakPolarHBondContact CA-O 3.18Å; K21-T32 PolarHBondContact N-O 3.23Å; K21-T32 PolarHBondContact O-N 3.06Å; K21-T32 PolarHBondContact O-OG1 3.39Å; K30-T32 HydrophobicContact CD-CG2 4.29Å; K30-T32 HydrophobicContact CG-CG2 4.15Å
33R82.1Confident69.3Low85 Ų85106.4 Ų106.432%0.32161%0.61SS.*EExtended strand (participates in β ladder)trans-80.1132.9176.9-168.3173.9174.4175.5-1.7108.7W20 G35 S36W20-R33 HydrophobicContact CD2-CB 4.08Å; W20-R33 HydrophobicContact CD2-CG 4.23Å; W20-R33 HydrophobicContact CE3-CB 3.66Å; W20-R33 HydrophobicContact CE3-CG 4.3Å; W20-R33 HydrophobicContact CH2-CB 3.94Å; W20-R33 HydrophobicContact CH2-CG 4.31Å; W20-R33 HydrophobicContact CZ2-CB 4.3Å; W20-R33 HydrophobicContact CZ2-CG 4.19Å; W20-R33 HydrophobicContact CZ3-CB 3.61Å; W20-R33 HydrophobicContact CZ3-CG 4.37Å; R33-G35 PolarHBondContact O-N 2.97Å; R33-S36 PolarHBondContact O-OG 2.89Å
34D72Confident68.7Low78 Ų78108 Ų10842%0.41762%0.622SS.*THydrogen-bonded Turntrans-68.9121.1175.9-145.75.3000108.6T19 K21T19-D34 HydrophobicContact CG2-CB 4.29Å; T19-D34 WeakPolarHBondContact O-CB 3.4Å; T19-D34 PolarHBondContact O-N 3.24Å; K21-D34 VanDerWaalsContact CE-CG 3.45Å; K21-D34 WeakPolarHBondContact CE-OD1 3.14Å; K21-D34 WeakPolarHBondContact CE-OD2 3.42Å; K21-D34 IonicContact NZ-OD1 3.37Å; K21-D34 PolarHBondContact NZ-OD1 3.5Å; K21-D34 IonicContact NZ-OD2 3.94Å; K21-D34 PolarHBondContact NZ-OD2 2.63Å; K21-D34 VanDerWaalsContact NZ-OD2 3.08Å
35G64.6Low68.5Low82 Ų82110.8 Ų110.885%0.84564%0.639SS**THydrogen-bonded Turntrans94.73.7179.800000117.2R33R33-G35 PolarHBondContact O-N 2.97Å
36S51.7Low68.5Low74 Ų74112.1 Ų112.152%0.51764%0.644SS.*  trans-94.293.7168.255.20000110.4R33R33-S36 PolarHBondContact O-OG 2.89Å
37E42.6Very low68.4Low186 Ų186107.5 Ų107.587%0.86962%0.617SS**  trans-57140.8151.9-78.1-169.815800108G39E37-G39 PolarHBondContact O-N 3.3Å
38A41.5Very low68.7Low117 Ų117108.7 Ų108.797%0.96761%0.606SS**SBendtrans-59.692.3-172.100000111.6
39G38.6Very low68.8Low63 Ų63109.1 Ų109.165%0.64960%0.6SS**  trans-152.5138176.900000109.9E37E37-G39 PolarHBondContact O-N 3.3Å
40L43Very low68.8Low172 Ų172107.6 Ų107.690%0.90159%0.589SS**  trans-35.4148.5-167.7-81.772.4000118.4S42L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.31Å
41R50.1Low68.6Low259 Ų259105.2 Ų105.298%0.97759%0.588SS**  trans-4877.6166.6-67.7173.2168.7170.1-4.1114
42S49.2Very low68.7Low100 Ų100102.8 Ų102.870%0.69959%0.586SS**  trans-110.7104.3155.2-168.40000106.9L40 S44L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.31Å; S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact O-N 3.06Å
43H58.7Low69Low144 Ų144101.8 Ų101.867%0.66758%0.577SS**  trans-56.9111.4152.8-81-87.9000104.8V45H43-V45 PolarHBondContact O-N 3.48Å
44S79.1Confident69.6Low58 Ų5898.7 Ų98.741%0.40657%0.566SS.*  trans-46.8134.2174.4172.60000108S42 V46 E47 L48S42-S44 VanDerWaalsContact C-N 3.32Å; S42-S44 PolarHBondContact O-N 3.06Å; S44-V46 CarbonylContact O-C 3.43Å; S44-V46 PolarHBondContact O-N 3.44Å; S44-V46 PolarHBondContact OG-N 2.89Å; S44-E47 WeakPolarHBondContact O-CA 3.48Å; S44-E47 WeakPolarHBondContact O-CB 3.43Å; S44-E47 PolarHBondContact O-N 3.39Å; S44-L48 PolarHBondContact O-N 3.31Å; S44-L48 VanDerWaalsContact O-N 3.12Å
45V82.6Confident70.6Confident116 Ų11695.1 Ų95.170%0.70355%0.548SS*.Hα-helixtrans-49.2-31.3177.4173.60000110.8H43 L48 F49H43-V45 PolarHBondContact O-N 3.48Å; V45-L48 PolarHBondContact O-N 2.97Å; V45-F49 WeakPolarHBondContact O-CB 3.4Å; V45-F49 PolarHBondContact O-N 3.04Å
46V82Confident72Confident83 Ų8397.4 Ų97.450%0.50354%0.536SS..Hα-helixtrans-61.7-45.8173.3179.90000112.5S44 F49 K50S44-V46 CarbonylContact O-C 3.43Å; S44-V46 PolarHBondContact O-N 3.44Å; S44-V46 PolarHBondContact OG-N 2.89Å; V46-F49 PolarHBondContact O-N 3.12Å; V46-K50 HydrophobicContact CG1-CD 4.42Å; V46-K50 WeakPolarHBondContact O-CB 3.44Å; V46-K50 VanDerWaalsContact O-CG 3.28Å; V46-K50 WeakPolarHBondContact O-CG 3.34Å; V46-K50 PolarHBondContact O-N 3.33Å
47E81.4Confident73.8Confident60 Ų6094.9 Ų94.928%0.2852%0.521SS..Hα-helixtrans-69.3-36.1179.3-68.6-64.2117.400111.6S44 K50 S51S44-E47 WeakPolarHBondContact O-CA 3.48Å; S44-E47 WeakPolarHBondContact O-CB 3.43Å; S44-E47 PolarHBondContact O-N 3.39Å; E47-K50 IonicContact OE1-NZ 3.86Å; E47-K50 PolarHBondContact OE1-NZ 3.38Å; E47-S51 WeakPolarHBondContact O-CB 3.24Å; E47-S51 PolarHBondContact O-N 3.02Å; E47-S51 PolarHBondContact O-OG 3.14Å
48L85.3Confident76.1Confident101 Ų10189.3 Ų89.353%0.52949%0.493SS..Hα-helixtrans-62.8-49.1170.8-176.866.6000110.5S44 V45 K50 S51 V52S44-L48 PolarHBondContact O-N 3.31Å; S44-L48 VanDerWaalsContact O-N 3.12Å; V45-L48 PolarHBondContact O-N 2.97Å; L48-K50 PolarHBondContact O-N 3.44Å; L48-S51 PolarHBondContact O-N 3.27Å; L48-S51 VanDerWaalsContact O-N 3.1Å; L48-S51 PolarHBondContact O-OG 3.49Å; L48-V52 HydrophobicContact CD1-CG2 4.33Å; L48-V52 HydrophobicContact CG-CG2 4.45Å; L48-V52 WeakPolarHBondContact O-CG2 3.29Å; L48-V52 PolarHBondContact O-N 3.28Å
49F87.6Confident78.5Confident109 Ų10986.5 Ų86.548%0.47847%0.465SS..Hα-helixtrans-58.2-46.9179-170.9-88000111.7V45 V46 S51 V52 F53V45-F49 WeakPolarHBondContact O-CB 3.4Å; V45-F49 PolarHBondContact O-N 3.04Å; V46-F49 PolarHBondContact O-N 3.12Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 3.08Å; F49-V52 PolarHBondContact O-N 2.99Å; F49-F53 HydrophobicContact CD1-CD2 4.09Å; F49-F53 AromaticContact CD2-CD2 3.55Å; F49-F53 HydrophobicContact CD2-CD2 3.55Å; F49-F53 AromaticContact CD2-CE2 3.68Å; F49-F53 HydrophobicContact CD2-CE2 3.68Å; F49-F53 HydrophobicContact CE1-CB 4.3Å; F49-F53 AromaticContact CE1-CD2 3.99Å; F49-F53 HydrophobicContact CE1-CD2 3.99Å; F49-F53 HydrophobicContact CE1-CG 4.43Å; F49-F53 AromaticContact CE2-CD2 3.44Å; F49-F53 HydrophobicContact CE2-CD2 3.44Å; F49-F53 VanDerWaalsContact CE2-CD2 3.44Å; F49-F53 AromaticContact CE2-CE2 3.55Å; F49-F53 HydrophobicContact CE2-CE2 3.55Å; F49-F53 HydrophobicContact CE2-CG 4.38Å; F49-F53 AromaticContact CG-CD2 3.88Å; F49-F53 HydrophobicContact CG-CD2 3.88Å; F49-F53 HydrophobicContact CG-CE2 4.42Å; F49-F53 AromaticContact CZ-CD2 3.67Å; F49-F53 HydrophobicContact CZ-CD2 3.67Å; F49-F53 HydrophobicContact CZ-CE2 4.19Å; F49-F53 HydrophobicContact CZ-CG 4.21Å; F49-F53 WeakPolarHBondContact O-CD2 3.46Å; F49-F53 PolarHBondContact O-N 2.91Å
50K86.8Confident81.1Confident88 Ų8887.4 Ų87.438%0.38345%0.452SS..Hα-helixtrans-57.4-45.8173.8-72.1177.5-175.9167.80111.6V46 E47 L48 V52 L54V46-K50 HydrophobicContact CG1-CD 4.42Å; V46-K50 WeakPolarHBondContact O-CB 3.44Å; V46-K50 VanDerWaalsContact O-CG 3.28Å; V46-K50 WeakPolarHBondContact O-CG 3.34Å; V46-K50 PolarHBondContact O-N 3.33Å; E47-K50 IonicContact OE1-NZ 3.86Å; E47-K50 PolarHBondContact OE1-NZ 3.38Å; L48-K50 PolarHBondContact O-N 3.44Å; K50-V52 VanDerWaalsContact C-N 3.3Å; K50-V52 PolarHBondContact O-N 3.24Å; K50-L54 HydrophobicContact CB-CD1 4.11Å; K50-L54 HydrophobicContact CG-CD1 3.81Å; K50-L54 WeakPolarHBondContact O-CA 3.45Å; K50-L54 VanDerWaalsContact O-CB 3.27Å; K50-L54 WeakPolarHBondContact O-CB 3.29Å; K50-L54 PolarHBondContact O-N 3.19Å
51S86.1Confident83.6Confident71 Ų7179.2 Ų79.250%0.49741%0.41SS..Hα-helixtrans-65.6-32.8-17975.10000113.3E47 L48 F49 K206E47-S51 WeakPolarHBondContact O-CB 3.24Å; E47-S51 PolarHBondContact O-N 3.02Å; E47-S51 PolarHBondContact O-OG 3.14Å; L48-S51 PolarHBondContact O-N 3.27Å; L48-S51 VanDerWaalsContact O-N 3.1Å; L48-S51 PolarHBondContact O-OG 3.49Å; F49-S51 VanDerWaalsContact C-N 3.33Å; F49-S51 PolarHBondContact O-N 3.08Å; S51-K206 PolarHBondContact O-NZ 3.32Å
52V89.8Confident85.8Confident60 Ų6067.3 Ų67.336%0.36437%0.365SS..Hα-helixtrans-78.4-47.7-179.5173.80000110.6L48 F49 K50 K206L48-V52 HydrophobicContact CD1-CG2 4.33Å; L48-V52 HydrophobicContact CG-CG2 4.45Å; L48-V52 WeakPolarHBondContact O-CG2 3.29Å; L48-V52 PolarHBondContact O-N 3.28Å; F49-V52 PolarHBondContact O-N 2.99Å; K50-V52 VanDerWaalsContact C-N 3.3Å; K50-V52 PolarHBondContact O-N 3.24Å; V52-K206 WeakPolarHBondContact O-CD 3.37Å; V52-K206 PolarHBondContact O-NZ 3.33Å
53F93.6Very high88.1Confident32 Ų3262.7 Ų62.714%0.1433%0.333CS..Hα-helixtrans-105.3-19.9-167.1-63.7-72000115.2F49 K206 Q210 L213F49-F53 HydrophobicContact CD1-CD2 4.09Å; F49-F53 AromaticContact CD2-CD2 3.55Å; F49-F53 HydrophobicContact CD2-CD2 3.55Å; F49-F53 AromaticContact CD2-CE2 3.68Å; F49-F53 HydrophobicContact CD2-CE2 3.68Å; F49-F53 HydrophobicContact CE1-CB 4.3Å; F49-F53 AromaticContact CE1-CD2 3.99Å; F49-F53 HydrophobicContact CE1-CD2 3.99Å; F49-F53 HydrophobicContact CE1-CG 4.43Å; F49-F53 AromaticContact CE2-CD2 3.44Å; F49-F53 HydrophobicContact CE2-CD2 3.44Å; F49-F53 VanDerWaalsContact CE2-CD2 3.44Å; F49-F53 AromaticContact CE2-CE2 3.55Å; F49-F53 HydrophobicContact CE2-CE2 3.55Å; F49-F53 HydrophobicContact CE2-CG 4.38Å; F49-F53 AromaticContact CG-CD2 3.88Å; F49-F53 HydrophobicContact CG-CD2 3.88Å; F49-F53 HydrophobicContact CG-CE2 4.42Å; F49-F53 AromaticContact CZ-CD2 3.67Å; F49-F53 HydrophobicContact CZ-CD2 3.67Å; F49-F53 HydrophobicContact CZ-CE2 4.19Å; F49-F53 HydrophobicContact CZ-CG 4.21Å; F49-F53 WeakPolarHBondContact O-CD2 3.46Å; F49-F53 PolarHBondContact O-N 2.91Å; F53-K206 WeakPolarHBondContact O-CB 3.48Å; F53-Q210 HydrophobicContact CB-CG 4.07Å; F53-Q210 HydrophobicContact CD1-CG 3.94Å; F53-Q210 HydrophobicContact CG-CG 4.44Å; F53-Q210 PolarHBondContact O-NE2 3.21Å; F53-L213 HydrophobicContact CE1-CB 4.01Å; F53-L213 HydrophobicContact CE1-CD2 3.81Å; F53-L213 HydrophobicContact CE1-CG 4.47Å; F53-L213 HydrophobicContact CE2-CD2 4.22Å; F53-L213 HydrophobicContact CZ-CB 4.39Å; F53-L213 HydrophobicContact CZ-CD2 3.63Å; F53-L213 HydrophobicContact CZ-CG 4.42Å
54L94.4Very high89.9Confident19 Ų1962 Ų6210%0.09935%0.345CS..SBendtrans-101149.6178.1-54.9-179000111.5K50 Y58 Y66 L67 K206K50-L54 HydrophobicContact CB-CD1 4.11Å; K50-L54 HydrophobicContact CG-CD1 3.81Å; K50-L54 WeakPolarHBondContact O-CA 3.45Å; K50-L54 VanDerWaalsContact O-CB 3.27Å; K50-L54 WeakPolarHBondContact O-CB 3.29Å; K50-L54 PolarHBondContact O-N 3.19Å; L54-Y58 HydrophobicContact CB-CD2 4.43Å; L54-Y58 HydrophobicContact CB-CG 4.1Å; L54-Y58 HydrophobicContact CD1-CD1 3.57Å; L54-Y58 HydrophobicContact CD1-CD2 4.23Å; L54-Y58 HydrophobicContact CD1-CE1 3.85Å; L54-Y58 HydrophobicContact CD1-CE2 4.5Å; L54-Y58 HydrophobicContact CD1-CG 3.82Å; L54-Y66 HydrophobicContact CD2-CE1 4.04Å; L54-L67 HydrophobicContact CD2-CD2 3.83Å; L54-K206 WeakPolarHBondContact O-CD 3.3Å; L54-K206 WeakPolarHBondContact O-CE 3.31Å
55P94.8Very high90.7Very high4 Ų459.6 Ų59.63%0.02633%0.327CS..PPolyproline II helixtrans-59.9149.9174.3-28.139.5000113G57 Y58 V62 Y66 D202 I203 K206P55-G57 PolarHBondContact O-N 3.29Å; P55-Y58 VanDerWaalsContact O-CB 3.22Å; P55-Y58 WeakPolarHBondContact O-CB 3.37Å; P55-Y58 PolarHBondContact O-N 3.39Å; P55-Y58 VanDerWaalsContact O-N 3.09Å; P55-V62 HydrophobicContact CB-CG1 3.89Å; P55-V62 HydrophobicContact CG-CG1 3.67Å; P55-Y66 HydrophobicContact CG-CE2 4.42Å; P55-D202 VanDerWaalsContact CA-OD2 3.28Å; P55-D202 WeakPolarHBondContact CA-OD2 3.49Å; P55-D202 WeakPolarHBondContact CB-OD2 3.39Å; P55-I203 HydrophobicContact CB-CG1 4.12Å; P55-I203 HydrophobicContact CG-CB 4.45Å; P55-I203 HydrophobicContact CG-CG1 3.8Å; P55-K206 HydrophobicContact CG-CB 4.3Å; P55-K206 HydrophobicContact CG-CG 4.26Å
56Q92.1Very high91.5Very high130 Ų13054.1 Ų54.161%0.60729%0.294SS*.THydrogen-bonded Turntrans-60131.3176.5-173.5177.57.200110.2Y14 Y58 S61 D202Y14-Q56 PolarHBondContact OH-NE2 2.91Å; Q56-Y58 VanDerWaalsContact C-N 3.32Å; Q56-S61 WeakPolarHBondContact O-CB 2.97Å; Q56-S61 PolarHBondContact O-OG 3.49Å; Q56-D202 PolarHBondContact N-OD2 2.93Å
57G89.8Confident92.1Very high20 Ų2054 Ų5421%0.20629%0.29CS..THydrogen-bonded Turntrans78.614.8-177.100000114.2P55 E60 S61P55-G57 PolarHBondContact O-N 3.29Å; G57-E60 PolarHBondContact O-N 3.13Å; G57-S61 PolarHBondContact O-N 3.43Å; G57-S61 PolarHBondContact O-OG 3.36Å
58Y91.7Very high92.9Very high69 Ų6956.5 Ų56.527%0.27130%0.302SS..THydrogen-bonded Turntrans-56.4138.3167177.8-84000110.6L54 P55 Q56 S61 V62 Y66 L67L54-Y58 HydrophobicContact CB-CD2 4.43Å; L54-Y58 HydrophobicContact CB-CG 4.1Å; L54-Y58 HydrophobicContact CD1-CD1 3.57Å; L54-Y58 HydrophobicContact CD1-CD2 4.23Å; L54-Y58 HydrophobicContact CD1-CE1 3.85Å; L54-Y58 HydrophobicContact CD1-CE2 4.5Å; L54-Y58 HydrophobicContact CD1-CG 3.82Å; P55-Y58 VanDerWaalsContact O-CB 3.22Å; P55-Y58 WeakPolarHBondContact O-CB 3.37Å; P55-Y58 PolarHBondContact O-N 3.39Å; P55-Y58 VanDerWaalsContact O-N 3.09Å; Q56-Y58 VanDerWaalsContact C-N 3.32Å; Y58-S61 PolarHBondContact N-OG 2.89Å; Y58-V62 HydrophobicContact CD2-CG2 3.6Å; Y58-V62 HydrophobicContact CE2-CG2 3.85Å; Y58-Y66 HydrophobicContact CD2-CD1 4.4Å; Y58-Y66 HydrophobicContact CE2-CD1 4.16Å; Y58-L67 HydrophobicContact CE2-CD1 4.39Å; Y58-L67 HydrophobicContact CE2-CD2 4.13Å; Y58-L67 HydrophobicContact CE2-CG 3.9Å; Y58-L67 WeakPolarHBondContact OH-CD1 3.34Å; Y58-L67 VanDerWaalsContact OH-CG 3.22Å; Y58-L67 WeakPolarHBondContact OH-CG 3.3Å
59P92.3Very high93.5Very high59 Ų5952 Ų5238%0.38328%0.278SS..THydrogen-bonded Turncis-85.6-12.45.133.1-36.2000115.7S61 V62P59-S61 VanDerWaalsContact C-N 3.28Å; P59-S61 PolarHBondContact O-N 3.49Å; P59-V62 PolarHBondContact O-N 3.39Å
60E93.4Very high93.9Very high81 Ų8147.1 Ų47.138%0.37926%0.257SS..THydrogen-bonded Turntrans-78.4-9.8-169.2-55.780-168.700114.4S16 G57 R197S16-E60 WeakPolarHBondContact CB-OE1 3.32Å; S16-E60 VanDerWaalsContact OG-CD 3.23Å; S16-E60 PolarHBondContact OG-OE1 3.05Å; S16-E60 PolarHBondContact OG-OE2 3.23Å; G57-E60 PolarHBondContact O-N 3.13Å; E60-R197 VanDerWaalsContact CB-NH2 3.29Å
61S94.6Very high94.4Very high1 Ų149 Ų491%0.00727%0.265CS..THydrogen-bonded Turntrans-88.5-7.2177.567.60000114Q56 G57 Y58 P59 R196 N199Q56-S61 WeakPolarHBondContact O-CB 2.97Å; Q56-S61 PolarHBondContact O-OG 3.49Å; G57-S61 PolarHBondContact O-N 3.43Å; G57-S61 PolarHBondContact O-OG 3.36Å; Y58-S61 PolarHBondContact N-OG 2.89Å; P59-S61 VanDerWaalsContact C-N 3.28Å; P59-S61 PolarHBondContact O-N 3.49Å; S61-R196 PolarHBondContact O-N 3.12Å; S61-N199 WeakPolarHBondContact CB-ND2 3.39Å; S61-N199 PolarHBondContact O-ND2 3.09Å; S61-N199 PolarHBondContact O-OD1 2.92Å; S61-N199 VanDerWaalsContact O-OD1 3.1Å
62V97.1Very high95Very high8 Ų848 Ų485%0.04825%0.251CS..BIsolated β-bridgetrans-125.3165.5-179.5-62.90000111.9P55 Y58 P59 Y66 Q194 R196 I203P55-V62 HydrophobicContact CB-CG1 3.89Å; P55-V62 HydrophobicContact CG-CG1 3.67Å; Y58-V62 HydrophobicContact CD2-CG2 3.6Å; Y58-V62 HydrophobicContact CE2-CG2 3.85Å; P59-V62 PolarHBondContact O-N 3.39Å; V62-Y66 HydrophobicContact CB-CD2 4.11Å; V62-Y66 HydrophobicContact CB-CG 3.95Å; V62-Y66 HydrophobicContact CG1-CD2 4.09Å; V62-Y66 HydrophobicContact CG1-CE2 4.38Å; V62-Y66 HydrophobicContact CG1-CG 4.22Å; V62-Y66 HydrophobicContact CG2-CD1 4.05Å; V62-Y66 HydrophobicContact CG2-CD2 4.44Å; V62-Y66 HydrophobicContact CG2-CG 3.79Å; V62-Q194 CarbonylContact C-O 3.53Å; V62-Q194 WeakPolarHBondContact CA-O 3.4Å; V62-R196 WeakPolarHBondContact O-CG 3.35Å; V62-I203 HydrophobicContact CG1-CD1 4.1Å; V62-I203 HydrophobicContact CG1-CG1 4.12Å
63S96.8Very high95.3Very high4 Ų446.3 Ų46.33%0.02824%0.239CC..  trans-64.7155.3172.887.70000111.5D65 Y66 Q194 R196S63-D65 PolarHBondContact O-N 3.13Å; S63-D65 VanDerWaalsContact O-N 3.17Å; S63-D65 VanDerWaalsContact OG-CG 3.23Å; S63-D65 PolarHBondContact OG-OD1 3.03Å; S63-Y66 VanDerWaalsContact O-CB 3.28Å; S63-Y66 WeakPolarHBondContact O-CB 3.02Å; S63-Y66 PolarHBondContact O-N 3.17Å; S63-Y66 VanDerWaalsContact O-N 3.15Å; S63-Q194 PolarHBondContact N-O 3.12Å; S63-Q194 VanDerWaalsContact OG-CD 3.29Å; S63-Q194 PolarHBondContact OG-NE2 3.2Å; S63-Q194 PolarHBondContact OG-OE1 2.93Å; S63-R196 VanDerWaalsContact CB-NH2 3.32Å
64S96.1Very high95.5Very high129 Ų12947.1 Ų47.190%0.90225%0.247SC*.THydrogen-bonded Turntrans-63.3-21.6-179.264.10000114
65D97.3Very high95.6Very high8 Ų848.6 Ų48.64%0.04326%0.255CS..THydrogen-bonded Turntrans-87.3-4.2179.363.555.2000114.3S63 L67 Q68 Y69 H193 Q194 S257 V259S63-D65 PolarHBondContact O-N 3.13Å; S63-D65 VanDerWaalsContact O-N 3.17Å; S63-D65 VanDerWaalsContact OG-CG 3.23Å; S63-D65 PolarHBondContact OG-OD1 3.03Å; D65-L67 PolarHBondContact O-N 3.21Å; D65-Q68 PolarHBondContact O-N 3.31Å; D65-Y69 PolarHBondContact O-N 3.22Å; D65-H193 IonicContact OD1-CD2 3.43Å; D65-H193 IonicContact OD1-NE2 3.7Å; D65-H193 IonicContact OD2-CD2 3.1Å; D65-H193 IonicContact OD2-CE1 3.95Å; D65-H193 IonicContact OD2-NE2 2.85Å; D65-H193 PolarHBondContact OD2-NE2 3.11Å; D65-Q194 PolarHBondContact OD1-NE2 3.33Å; D65-S257 WeakPolarHBondContact CB-O 3.36Å; D65-V259 PolarHBondContact OD2-N 3.49Å
66Y97.6Very high95.8Very high0 Ų049.1 Ų49.10%026%0.257CS..Hα-helixtrans-50.9-56.2-173.2-178.4-99.6000113.6L54 P55 Y58 V62 S63 Q68 Y69 Q70 Q194 I203 Q210L54-Y66 HydrophobicContact CD2-CE1 4.04Å; P55-Y66 HydrophobicContact CG-CE2 4.42Å; Y58-Y66 HydrophobicContact CD2-CD1 4.4Å; Y58-Y66 HydrophobicContact CE2-CD1 4.16Å; V62-Y66 HydrophobicContact CB-CD2 4.11Å; V62-Y66 HydrophobicContact CB-CG 3.95Å; V62-Y66 HydrophobicContact CG1-CD2 4.09Å; V62-Y66 HydrophobicContact CG1-CE2 4.38Å; V62-Y66 HydrophobicContact CG1-CG 4.22Å; V62-Y66 HydrophobicContact CG2-CD1 4.05Å; V62-Y66 HydrophobicContact CG2-CD2 4.44Å; V62-Y66 HydrophobicContact CG2-CG 3.79Å; S63-Y66 VanDerWaalsContact O-CB 3.28Å; S63-Y66 WeakPolarHBondContact O-CB 3.02Å; S63-Y66 PolarHBondContact O-N 3.17Å; S63-Y66 VanDerWaalsContact O-N 3.15Å; Y66-Q68 VanDerWaalsContact C-N 3.34Å; Y66-Q68 PolarHBondContact O-N 3.5Å; Y66-Y69 PolarHBondContact O-N 3.2Å; Y66-Q70 HydrophobicContact CD1-CG 4.14Å; Y66-Q70 HydrophobicContact CD2-CG 4.24Å; Y66-Q70 HydrophobicContact CE1-CG 3.77Å; Y66-Q70 HydrophobicContact CE2-CG 3.87Å; Y66-Q70 HydrophobicContact CG-CG 4.37Å; Y66-Q70 WeakPolarHBondContact O-CB 3.45Å; Y66-Q70 VanDerWaalsContact O-CG 3.29Å; Y66-Q70 WeakPolarHBondContact O-CG 3.19Å; Y66-Q70 PolarHBondContact O-N 3.34Å; Y66-Q194 VanDerWaalsContact CB-OE1 3.23Å; Y66-Q194 HydrophobicContact CD2-CB 4.27Å; Y66-Q194 HydrophobicContact CD2-CG 3.98Å; Y66-I203 HydrophobicContact CE2-CG2 4.18Å; Y66-Q210 PolarHBondContact OH-NE2 3.44Å
67L96.1Very high96Very high81 Ų8143.7 Ų43.742%0.42423%0.234SC..Hα-helixtrans-66.4-38.1-175.7-79-167.6000112.5L54 Y58 D65 Y69 Q70 F71L54-L67 HydrophobicContact CD2-CD2 3.83Å; Y58-L67 HydrophobicContact CE2-CD1 4.39Å; Y58-L67 HydrophobicContact CE2-CD2 4.13Å; Y58-L67 HydrophobicContact CE2-CG 3.9Å; Y58-L67 WeakPolarHBondContact OH-CD1 3.34Å; Y58-L67 VanDerWaalsContact OH-CG 3.22Å; Y58-L67 WeakPolarHBondContact OH-CG 3.3Å; D65-L67 PolarHBondContact O-N 3.21Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; L67-Q70 PolarHBondContact O-N 3.06Å; L67-F71 WeakPolarHBondContact O-CB 3.43Å; L67-F71 PolarHBondContact O-N 3.38Å
68Q97.6Very high96.4Very high113 Ų11345.4 Ų45.453%0.52824%0.236SC..Hα-helixtrans-65.6-43179.1-171.5178.5-8.600110D65 Y66 W72 S257D65-Q68 PolarHBondContact O-N 3.31Å; Y66-Q68 VanDerWaalsContact C-N 3.34Å; Y66-Q68 PolarHBondContact O-N 3.5Å; Q68-W72 PolarHBondContact O-N 3.07Å; Q68-S257 VanDerWaalsContact CD-CB 3.41Å
69Y97.6Very high96.7Very high5 Ų542.1 Ų42.12%0.0222%0.223CC..Hα-helixtrans-59.6-53.3173.1170.4-95.8000111.5D65 Y66 L67 F71 W72 D73 R141 L190 A254 S257 V258D65-Y69 PolarHBondContact O-N 3.22Å; Y66-Y69 PolarHBondContact O-N 3.2Å; L67-Y69 VanDerWaalsContact C-N 3.33Å; Y69-F71 VanDerWaalsContact C-N 3.28Å; Y69-F71 PolarHBondContact O-N 2.85Å; Y69-W72 PolarHBondContact O-N 3.05Å; Y69-W72 VanDerWaalsContact O-N 3.11Å; Y69-D73 HydrophobicContact CD1-CB 4.47Å; Y69-D73 HydrophobicContact CE1-CB 4.01Å; Y69-D73 HydrophobicContact CE2-CB 4.42Å; Y69-D73 WeakPolarHBondContact O-CB 3.29Å; Y69-D73 PolarHBondContact O-N 3.15Å; Y69-D73 PolarHBondContact OH-OD1 2.82Å; Y69-D73 VanDerWaalsContact OH-OD1 3.1Å; Y69-R141 PolarHBondContact OH-NH1 2.8Å; Y69-R141 VanDerWaalsContact OH-NH1 3.09Å; Y69-R141 PolarHBondContact OH-NH2 2.92Å; Y69-L190 HydrophobicContact CD2-CD2 4.03Å; Y69-L190 HydrophobicContact CE1-CD2 4.3Å; Y69-L190 HydrophobicContact CE2-CD2 3.28Å; Y69-L190 VanDerWaalsContact CZ-CD2 3.45Å; Y69-A254 HydrophobicContact CD2-CB 3.98Å; Y69-A254 HydrophobicContact CE2-CB 4.11Å; Y69-S257 WeakPolarHBondContact CA-OG 3.34Å; Y69-S257 PolarHBondContact N-OG 3.39Å; Y69-V258 HydrophobicContact CD2-CG2 3.44Å; Y69-V258 VanDerWaalsContact CD2-CG2 3.44Å; Y69-V258 HydrophobicContact CE2-CG2 4.14Å; Y69-V258 HydrophobicContact CG-CG2 4.03Å
70Q97.2Very high96.9Very high8 Ų840.5 Ų40.54%0.03721%0.213CC..Hα-helixtrans-59.8-36.1-176.8-74.5-63.8-2100113.1Y66 L67 T74 D207Y66-Q70 HydrophobicContact CD1-CG 4.14Å; Y66-Q70 HydrophobicContact CD2-CG 4.24Å; Y66-Q70 HydrophobicContact CE1-CG 3.77Å; Y66-Q70 HydrophobicContact CE2-CG 3.87Å; Y66-Q70 HydrophobicContact CG-CG 4.37Å; Y66-Q70 WeakPolarHBondContact O-CB 3.45Å; Y66-Q70 VanDerWaalsContact O-CG 3.29Å; Y66-Q70 WeakPolarHBondContact O-CG 3.19Å; Y66-Q70 PolarHBondContact O-N 3.34Å; L67-Q70 PolarHBondContact O-N 3.06Å; Q70-T74 WeakPolarHBondContact O-CB 3.42Å; Q70-T74 PolarHBondContact O-N 2.92Å; Q70-T74 PolarHBondContact O-OG1 3.29Å; Q70-D207 PolarHBondContact NE2-OD1 3.08Å
71F97.1Very high97Very high128 Ų12837.9 Ų37.956%0.56120%0.204SC*.Hα-helixtrans-61.3-48.6174.9174.5-96000112.2L67 Y69 L75L67-F71 WeakPolarHBondContact O-CB 3.43Å; L67-F71 PolarHBondContact O-N 3.38Å; Y69-F71 VanDerWaalsContact C-N 3.28Å; Y69-F71 PolarHBondContact O-N 2.85Å; F71-L75 PolarHBondContact O-N 3.07Å
72W98.2Very high97.2Very high50 Ų5038 Ų3819%0.18920%0.204CC..Hα-helixtrans-72.4-38.4-179.8-69.8116.7000112.1Q68 Y69 T74 L75 Q76 F249 A250 K253 A254Q68-W72 PolarHBondContact O-N 3.07Å; Y69-W72 PolarHBondContact O-N 3.05Å; Y69-W72 VanDerWaalsContact O-N 3.11Å; W72-T74 VanDerWaalsContact C-N 3.32Å; W72-T74 PolarHBondContact O-N 2.87Å; W72-L75 HydrophobicContact CE3-CD2 4.1Å; W72-L75 HydrophobicContact CZ3-CD2 4.01Å; W72-L75 PolarHBondContact O-N 3.48Å; W72-Q76 VanDerWaalsContact O-CB 3.29Å; W72-Q76 WeakPolarHBondContact O-CB 3.44Å; W72-Q76 PolarHBondContact O-N 3.2Å; W72-F249 HydrophobicContact CH2-CE1 4.02Å; W72-F249 HydrophobicContact CZ3-CD1 4.3Å; W72-F249 AromaticContact CZ3-CE1 3.84Å; W72-F249 HydrophobicContact CZ3-CE1 3.84Å; W72-A250 HydrophobicContact CE3-CB 4.33Å; W72-K253 HydrophobicContact CB-CB 4.33Å; W72-K253 HydrophobicContact CD2-CB 3.3Å; W72-K253 HydrophobicContact CD2-CG 4.06Å; W72-K253 VanDerWaalsContact CE2-CB 3.46Å; W72-K253 HydrophobicContact CE3-CB 3.68Å; W72-K253 HydrophobicContact CE3-CG 4.1Å; W72-K253 HydrophobicContact CG-CB 3.58Å; W72-K253 HydrophobicContact CH2-CB 4.31Å; W72-K253 HydrophobicContact CH2-CG 3.98Å; W72-K253 HydrophobicContact CZ2-CB 3.99Å; W72-K253 HydrophobicContact CZ2-CD 4.23Å; W72-K253 HydrophobicContact CZ2-CG 3.94Å; W72-K253 HydrophobicContact CZ3-CB 4.16Å; W72-K253 HydrophobicContact CZ3-CG 4.06Å; W72-A254 HydrophobicContact CB-CB 3.61Å
73D96.9Very high97.2Very high23 Ų2337.6 Ų37.612%0.12320%0.202CC..Hα-helixtrans-62.4-39.1174.9-167.673.3000111.4Y69 Q76 A77 R141Y69-D73 HydrophobicContact CD1-CB 4.47Å; Y69-D73 HydrophobicContact CE1-CB 4.01Å; Y69-D73 HydrophobicContact CE2-CB 4.42Å; Y69-D73 WeakPolarHBondContact O-CB 3.29Å; Y69-D73 PolarHBondContact O-N 3.15Å; Y69-D73 PolarHBondContact OH-OD1 2.82Å; Y69-D73 VanDerWaalsContact OH-OD1 3.1Å; D73-Q76 WeakPolarHBondContact O-CB 3.29Å; D73-Q76 PolarHBondContact O-N 3.33Å; D73-Q76 PolarHBondContact OD1-OE1 2.84Å; D73-A77 WeakPolarHBondContact O-CB 3.31Å; D73-A77 PolarHBondContact O-N 3.44Å; D73-R141 IonicContact OD1-CZ 3.04Å; D73-R141 IonicContact OD1-NH1 3.25Å; D73-R141 IonicContact OD1-NH2 2.84Å; D73-R141 PolarHBondContact OD1-NH2 2.75Å
74T96.4Very high97.2Very high50 Ų5038.3 Ų38.331%0.30721%0.21SC..Hα-helixtrans-60.2-47.4172.4-72.30000112.1Q70 W72 Q76 A77 F78 V214Q70-T74 WeakPolarHBondContact O-CB 3.42Å; Q70-T74 PolarHBondContact O-N 2.92Å; Q70-T74 PolarHBondContact O-OG1 3.29Å; W72-T74 VanDerWaalsContact C-N 3.32Å; W72-T74 PolarHBondContact O-N 2.87Å; T74-Q76 VanDerWaalsContact C-N 3.29Å; T74-Q76 PolarHBondContact O-N 2.82Å; T74-A77 PolarHBondContact O-N 3.32Å; T74-F78 WeakPolarHBondContact O-CB 3.38Å; T74-F78 PolarHBondContact O-N 3.05Å; T74-V214 HydrophobicContact CG2-CG2 3.43Å; T74-V214 VanDerWaalsContact CG2-CG2 3.43Å
75L97.7Very high97.2Very high49 Ų4933.8 Ų33.826%0.25718%0.177SC..Hα-helixtrans-65.2-36.8178.5-177.261.1000111.9F71 W72 S79 L246 A250F71-L75 PolarHBondContact O-N 3.07Å; W72-L75 HydrophobicContact CE3-CD2 4.1Å; W72-L75 HydrophobicContact CZ3-CD2 4.01Å; W72-L75 PolarHBondContact O-N 3.48Å; L75-S79 WeakPolarHBondContact O-CB 3.49Å; L75-S79 PolarHBondContact O-N 3.29Å; L75-S79 VanDerWaalsContact O-N 3.12Å; L75-S79 PolarHBondContact O-OG 3.35Å; L75-L246 HydrophobicContact CD1-CD1 4.26Å; L75-L246 HydrophobicContact CD1-CD2 4.1Å; L75-L246 HydrophobicContact CD1-CG 4.31Å; L75-L246 HydrophobicContact CD2-CD1 3.94Å; L75-L246 HydrophobicContact CG-CD1 4.16Å; L75-L246 HydrophobicContact CG-CG 4.32Å; L75-A250 HydrophobicContact CB-CB 4.11Å; L75-A250 HydrophobicContact CD2-CB 4.11Å; L75-A250 HydrophobicContact CG-CB 4.03Å
76Q97.4Very high97.2Very high15 Ų1533.5 Ų33.57%0.0718%0.175CC..Hα-helixtrans-63-54.6174.7-174.1-102.7-66.900110.5W72 D73 T74 F78 S79 S80 R141 D145 H247 A250 N251W72-Q76 VanDerWaalsContact O-CB 3.29Å; W72-Q76 WeakPolarHBondContact O-CB 3.44Å; W72-Q76 PolarHBondContact O-N 3.2Å; D73-Q76 WeakPolarHBondContact O-CB 3.29Å; D73-Q76 PolarHBondContact O-N 3.33Å; D73-Q76 PolarHBondContact OD1-OE1 2.84Å; T74-Q76 VanDerWaalsContact C-N 3.29Å; T74-Q76 PolarHBondContact O-N 2.82Å; Q76-F78 VanDerWaalsContact C-N 3.33Å; Q76-F78 PolarHBondContact O-N 3.08Å; Q76-S79 PolarHBondContact O-N 2.61Å; Q76-S80 PolarHBondContact O-N 2.98Å; Q76-R141 VanDerWaalsContact OE1-NH2 3.14Å; Q76-D145 PolarHBondContact NE2-OD2 3.39Å; Q76-D145 VanDerWaalsContact NE2-OD2 3.08Å; Q76-H247 PolarHBondContact NE2-NE2 2.98Å; Q76-H247 PolarHBondContact O-CD2 2.88Å; Q76-A250 HydrophobicContact CB-CB 3.83Å; Q76-N251 HydrophobicContact CG-CB 3.82Å
77A96.8Very high97.2Very high16 Ų1633.5 Ų33.513%0.13218%0.175CC..Hα-helixtrans-57.9-42.6177.900000112.5D73 T74 S79 S80 S81 V214D73-A77 WeakPolarHBondContact O-CB 3.31Å; D73-A77 PolarHBondContact O-N 3.44Å; T74-A77 PolarHBondContact O-N 3.32Å; A77-S79 PolarHBondContact O-N 3.08Å; A77-S80 PolarHBondContact O-N 3.47Å; A77-S81 WeakPolarHBondContact O-CB 3.38Å; A77-S81 PolarHBondContact O-N 2.88Å; A77-V214 HydrophobicContact CB-CG1 4.01Å
78F97.9Very high97.1Very high57 Ų5733.1 Ų33.125%0.2518%0.176CC..Hα-helixtrans-59-48.7176.1-178.7-105.3000111.9T74 Q76 S80 S81 L82 V214 A217 V221T74-F78 WeakPolarHBondContact O-CB 3.38Å; T74-F78 PolarHBondContact O-N 3.05Å; Q76-F78 VanDerWaalsContact C-N 3.33Å; Q76-F78 PolarHBondContact O-N 3.08Å; F78-S80 PolarHBondContact O-N 3.09Å; F78-S81 WeakPolarHBondContact O-CB 3.35Å; F78-S81 PolarHBondContact O-N 3.49Å; F78-L82 HydrophobicContact CD1-CD1 4.27Å; F78-L82 HydrophobicContact CE1-CD1 3.65Å; F78-L82 HydrophobicContact CE1-CG 4.44Å; F78-L82 HydrophobicContact CZ-CD1 3.86Å; F78-L82 HydrophobicContact CZ-CG 4.42Å; F78-L82 PolarHBondContact O-N 3.07Å; F78-V214 HydrophobicContact CB-CG1 3.67Å; F78-V214 HydrophobicContact CD2-CG1 4.44Å; F78-A217 HydrophobicContact CE2-CB 4.38Å; F78-V221 HydrophobicContact CE2-CG2 4.29Å; F78-V221 HydrophobicContact CZ-CB 4.42Å; F78-V221 HydrophobicContact CZ-CG2 4.06Å
79S97.8Very high97Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-63.5-42.6179.8-53.60000111.7L75 Q76 A77 S81 L82 S83 L246L75-S79 WeakPolarHBondContact O-CB 3.49Å; L75-S79 PolarHBondContact O-N 3.29Å; L75-S79 VanDerWaalsContact O-N 3.12Å; L75-S79 PolarHBondContact O-OG 3.35Å; Q76-S79 PolarHBondContact O-N 2.61Å; A77-S79 PolarHBondContact O-N 3.08Å; S79-S81 VanDerWaalsContact C-N 3.34Å; S79-S81 PolarHBondContact O-N 3.49Å; S79-L82 PolarHBondContact O-N 2.81Å; S79-S83 PolarHBondContact O-N 3.35Å; S79-S83 PolarHBondContact O-OG 2.99Å; S79-L246 VanDerWaalsContact OG-CD2 3.23Å; S79-L246 WeakPolarHBondContact OG-CD2 3.38Å; S79-L246 VanDerWaalsContact OG-CG 3.28Å; S79-L246 WeakPolarHBondContact OG-CG 3.23Å
80S96.6Very high96.8Very high25 Ų2530.4 Ų30.418%0.17517%0.166CC..Hα-helixtrans-62.4-39.5176.4-165.80000112Q76 A77 F78 L82 S83 G84 N148Q76-S80 PolarHBondContact O-N 2.98Å; A77-S80 PolarHBondContact O-N 3.47Å; F78-S80 PolarHBondContact O-N 3.09Å; S80-L82 PolarHBondContact O-N 3.38Å; S80-S83 PolarHBondContact O-N 2.66Å; S80-G84 PolarHBondContact O-N 3.33Å; S80-N148 PolarHBondContact OG-ND2 3.13Å
81S96.8Very high96.7Very high25 Ų2530.4 Ų30.418%0.17517%0.167CC..Hα-helixtrans-60.9-43.5176.6-166.80000112.5A77 F78 S79 G84 T85 N215A77-S81 WeakPolarHBondContact O-CB 3.38Å; A77-S81 PolarHBondContact O-N 2.88Å; F78-S81 WeakPolarHBondContact O-CB 3.35Å; F78-S81 PolarHBondContact O-N 3.49Å; S79-S81 VanDerWaalsContact C-N 3.34Å; S79-S81 PolarHBondContact O-N 3.49Å; S81-G84 PolarHBondContact O-N 3.37Å; S81-T85 PolarHBondContact O-N 3.13Å; S81-T85 PolarHBondContact O-OG1 3.39Å; S81-N215 PolarHBondContact OG-OD1 3.24Å
82L97.6Very high96.5Very high3 Ų327.5 Ų27.52%0.01616%0.157CC..Hα-helixtrans-66.2-48.5176.4-62-178.1000111.8F78 S79 S80 G84 T85 L86 G218 V221 S222 F243F78-L82 HydrophobicContact CD1-CD1 4.27Å; F78-L82 HydrophobicContact CE1-CD1 3.65Å; F78-L82 HydrophobicContact CE1-CG 4.44Å; F78-L82 HydrophobicContact CZ-CD1 3.86Å; F78-L82 HydrophobicContact CZ-CG 4.42Å; F78-L82 PolarHBondContact O-N 3.07Å; S79-L82 PolarHBondContact O-N 2.81Å; S80-L82 PolarHBondContact O-N 3.38Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-G84 PolarHBondContact O-N 2.77Å; L82-T85 WeakPolarHBondContact O-CB 3.42Å; L82-T85 PolarHBondContact O-N 3.19Å; L82-T85 VanDerWaalsContact O-N 3.12Å; L82-L86 PolarHBondContact O-N 3.1Å; L82-L86 VanDerWaalsContact O-N 3.16Å; L82-G218 WeakPolarHBondContact CD2-O 3.23Å; L82-V221 HydrophobicContact CD1-CG1 4.26Å; L82-V221 HydrophobicContact CD2-CB 3.97Å; L82-V221 HydrophobicContact CD2-CG1 3.75Å; L82-S222 WeakPolarHBondContact CD2-OG 3.44Å; L82-F243 HydrophobicContact CB-CD2 3.77Å; L82-F243 HydrophobicContact CB-CE2 3.7Å; L82-F243 HydrophobicContact CB-CG 4.27Å; L82-F243 HydrophobicContact CB-CZ 4.14Å; L82-F243 HydrophobicContact CD1-CD1 4.15Å; L82-F243 HydrophobicContact CD1-CE1 3.63Å; L82-F243 HydrophobicContact CD1-CE2 4.05Å; L82-F243 HydrophobicContact CD1-CZ 3.58Å; L82-F243 HydrophobicContact CG-CZ 4.49Å
83S97.4Very high96.2Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-58-41.7174.7-70.80000112.2S79 S80 T85 L86 A87 F243S79-S83 PolarHBondContact O-N 3.35Å; S79-S83 PolarHBondContact O-OG 2.99Å; S80-S83 PolarHBondContact O-N 2.66Å; S83-T85 VanDerWaalsContact C-N 3.27Å; S83-T85 PolarHBondContact O-N 3.12Å; S83-L86 PolarHBondContact O-N 3.05Å; S83-A87 PolarHBondContact O-N 3.27Å; S83-F243 VanDerWaalsContact OG-CB 3.27Å; S83-F243 WeakPolarHBondContact OG-CB 3.15Å
84G97Very high95.9Very high19 Ų1932.4 Ų32.420%0.19618%0.182CC..Hα-helixtrans-62.9-34.217700000112.6S80 S81 L82 T88 M152S80-G84 PolarHBondContact O-N 3.33Å; S81-G84 PolarHBondContact O-N 3.37Å; L82-G84 VanDerWaalsContact C-N 3.29Å; L82-G84 PolarHBondContact O-N 2.77Å; G84-T88 VanDerWaalsContact O-CB 3.31Å; G84-T88 WeakPolarHBondContact O-CB 3.48Å; G84-T88 PolarHBondContact O-N 3.1Å; G84-T88 PolarHBondContact O-OG1 3.1Å; G84-M152 PolarHBondContact N-SD 2.72Å
85T96.7Very high95.7Very high35 Ų3531 Ų3122%0.21517%0.173CC..Hα-helixtrans-66.7-45.2174.2-54.10000111.2S81 L82 S83 A87 T88 Q89 S222 I226S81-T85 PolarHBondContact O-N 3.13Å; S81-T85 PolarHBondContact O-OG1 3.39Å; L82-T85 WeakPolarHBondContact O-CB 3.42Å; L82-T85 PolarHBondContact O-N 3.19Å; L82-T85 VanDerWaalsContact O-N 3.12Å; S83-T85 VanDerWaalsContact C-N 3.27Å; S83-T85 PolarHBondContact O-N 3.12Å; T85-A87 PolarHBondContact O-N 3.23Å; T85-T88 PolarHBondContact O-N 2.89Å; T85-Q89 PolarHBondContact O-N 3.28Å; T85-S222 VanDerWaalsContact CB-OG 3.31Å; T85-S222 WeakPolarHBondContact CB-OG 3.39Å; T85-S222 WeakPolarHBondContact CG2-OG 3.09Å; T85-S222 PolarHBondContact OG1-OG 3.41Å; T85-I226 HydrophobicContact CG2-CD1 3.69Å; T85-I226 HydrophobicContact CG2-CG1 3.9Å
86L96.8Very high95.3Very high1 Ų129.3 Ų29.31%0.00517%0.168CC..Hα-helixtrans-60.3-44.8175.8-60.8178.4000111.6L82 S83 Q89 A90 I156 L225 V229 T236 L239 F240 F243L82-L86 PolarHBondContact O-N 3.1Å; L82-L86 VanDerWaalsContact O-N 3.16Å; S83-L86 PolarHBondContact O-N 3.05Å; L86-Q89 PolarHBondContact O-N 2.96Å; L86-A90 PolarHBondContact O-N 3.31Å; L86-A90 VanDerWaalsContact O-N 3.09Å; L86-I156 HydrophobicContact CB-CD1 4.2Å; L86-L225 HydrophobicContact CD2-CD2 4.17Å; L86-V229 HydrophobicContact CD2-CB 4.31Å; L86-V229 HydrophobicContact CD2-CG1 4.15Å; L86-V229 HydrophobicContact CD2-CG2 3.84Å; L86-T236 HydrophobicContact CB-CG2 4.37Å; L86-T236 HydrophobicContact CD2-CG2 4.44Å; L86-L239 HydrophobicContact CD1-CB 4.17Å; L86-F240 HydrophobicContact CD1-CB 4.13Å; L86-F243 HydrophobicContact CD1-CD2 4.26Å; L86-F243 HydrophobicContact CD1-CE2 4.28Å
87A97.1Very high94.9Very high0 Ų033.2 Ų33.20%019%0.193CC..Hα-helixtrans-64.4-40.8177.300000112.5S83 T85 A90 S91 M152 E155 I156S83-A87 PolarHBondContact O-N 3.27Å; T85-A87 PolarHBondContact O-N 3.23Å; A87-A90 PolarHBondContact O-N 3.39Å; A87-S91 WeakPolarHBondContact O-CB 3.42Å; A87-S91 PolarHBondContact O-N 3.42Å; A87-M152 HydrophobicContact CB-CB 3.92Å; A87-M152 HydrophobicContact CB-CG 4.12Å; A87-E155 HydrophobicContact CB-CB 4.13Å; A87-E155 WeakPolarHBondContact CB-OE2 3.34Å; A87-I156 HydrophobicContact CB-CD1 4.48Å; A87-I156 HydrophobicContact CB-CG1 4.07Å
88T95.4Very high94.2Very high73 Ų7336.6 Ų36.645%0.44823%0.228SC..Hα-helixtrans-62.3-46.3175.7-60.80000111.3G84 T85 A90 S91 L92G84-T88 VanDerWaalsContact O-CB 3.31Å; G84-T88 WeakPolarHBondContact O-CB 3.48Å; G84-T88 PolarHBondContact O-N 3.1Å; G84-T88 PolarHBondContact O-OG1 3.1Å; T85-T88 PolarHBondContact O-N 2.89Å; T88-A90 VanDerWaalsContact C-N 3.35Å; T88-A90 PolarHBondContact O-N 3.26Å; T88-S91 PolarHBondContact O-N 3.13Å; T88-L92 HydrophobicContact CG2-CD1 4.09Å; T88-L92 HydrophobicContact CG2-CG 4.38Å; T88-L92 WeakPolarHBondContact O-CB 3.38Å; T88-L92 WeakPolarHBondContact O-CG 3.45Å; T88-L92 PolarHBondContact O-N 3.14Å
89Q94.6Very high93.7Very high47 Ų4738 Ų3822%0.2224%0.239CC..Hα-helixtrans-58.9-46.3177.5-174.8-172.810.600111.5T85 L86 L92 R93 I226 V229 T230T85-Q89 PolarHBondContact O-N 3.28Å; L86-Q89 PolarHBondContact O-N 2.96Å; Q89-L92 PolarHBondContact O-N 3.48Å; Q89-R93 PolarHBondContact O-N 3.17Å; Q89-I226 HydrophobicContact CB-CD1 3.93Å; Q89-I226 HydrophobicContact CG-CD1 4.12Å; Q89-V229 VanDerWaalsContact OE1-CG2 3.31Å; Q89-T230 PolarHBondContact NE2-OG1 3.28Å
90A94Very high93.1Very high14 Ų1447.7 Ų47.712%0.11628%0.284CS..Hα-helixtrans-63.3-43.7177.500000111.9L86 A87 T88 L92 R93 G94 I156 P159L86-A90 PolarHBondContact O-N 3.31Å; L86-A90 VanDerWaalsContact O-N 3.09Å; A87-A90 PolarHBondContact O-N 3.39Å; T88-A90 VanDerWaalsContact C-N 3.35Å; T88-A90 PolarHBondContact O-N 3.26Å; A90-L92 PolarHBondContact O-N 3.42Å; A90-R93 PolarHBondContact O-N 3.22Å; A90-G94 PolarHBondContact O-N 3.48Å; A90-I156 HydrophobicContact CB-CG1 4.46Å; A90-P159 HydrophobicContact CB-CG 4.26Å; A90-P159 WeakPolarHBondContact O-CG 3.46Å
91S93.8Very high92.6Very high8 Ų854.8 Ų54.86%0.05632%0.315CS..Hα-helixtrans-60.7-43.4176.7-169.50000112.1A87 T88 G94 V95A87-S91 WeakPolarHBondContact O-CB 3.42Å; A87-S91 PolarHBondContact O-N 3.42Å; T88-S91 PolarHBondContact O-N 3.13Å; S91-G94 PolarHBondContact O-N 3.01Å; S91-G94 VanDerWaalsContact O-N 3.16Å; S91-V95 PolarHBondContact O-N 3.23Å
92L93.6Very high92.3Very high68 Ų6855.5 Ų55.536%0.35632%0.322SS..Hα-helixtrans-61.3-45.1176-72.7173.4000111.9T88 Q89 A90 G94 V95 G96 V97 W111T88-L92 HydrophobicContact CG2-CD1 4.09Å; T88-L92 HydrophobicContact CG2-CG 4.38Å; T88-L92 WeakPolarHBondContact O-CB 3.38Å; T88-L92 WeakPolarHBondContact O-CG 3.45Å; T88-L92 PolarHBondContact O-N 3.14Å; Q89-L92 PolarHBondContact O-N 3.48Å; A90-L92 PolarHBondContact O-N 3.42Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 3.04Å; L92-V95 WeakPolarHBondContact O-CG2 3.42Å; L92-V95 PolarHBondContact O-N 3.43Å; L92-G96 PolarHBondContact O-N 3.4Å; L92-V97 HydrophobicContact CB-CB 4.36Å; L92-V97 HydrophobicContact CB-CG2 4.16Å; L92-V97 HydrophobicContact CD2-CG2 4.17Å; L92-V97 VanDerWaalsContact O-CB 3.26Å; L92-V97 WeakPolarHBondContact O-CB 3.32Å; L92-V97 WeakPolarHBondContact O-CG2 3.44Å; L92-V97 PolarHBondContact O-N 2.76Å; L92-W111 HydrophobicContact CD2-CZ2 4.46Å
93R91.3Very high92Very high151 Ų15159.1 Ų59.157%0.5734%0.344SS*.Hα-helixtrans-59.7-42.3173.5-177.6178.9-178.8152.17.3111.3Q89 A90 G96 D231Q89-R93 PolarHBondContact O-N 3.17Å; A90-R93 PolarHBondContact O-N 3.22Å; R93-G96 WeakPolarHBondContact O-CA 3.42Å; R93-G96 PolarHBondContact O-N 3.22Å; R93-D231 IonicContact CZ-OD1 3.41Å; R93-D231 IonicContact NH1-OD1 2.74Å; R93-D231 PolarHBondContact NH1-OD1 3.38Å; R93-D231 IonicContact NH2-OD1 3.3Å; R93-D231 PolarHBondContact NH2-OD1 2.94Å
94G91.1Very high91.8Very high25 Ų2565 Ų6526%0.25838%0.38SS..Hα-helixtrans-67.2-33.1-178.400000114.8A90 S91 L92 G96 F165A90-G94 PolarHBondContact O-N 3.48Å; S91-G94 PolarHBondContact O-N 3.01Å; S91-G94 VanDerWaalsContact O-N 3.16Å; L92-G94 VanDerWaalsContact C-N 3.29Å; L92-G94 PolarHBondContact O-N 3.04Å; G94-G96 PolarHBondContact O-N 3.23Å; G94-F165 VanDerWaalsContact C-CZ 3.42Å; G94-F165 VanDerWaalsContact CA-CE2 3.42Å
95V92.1Very high91.6Very high19 Ų1967.2 Ų67.212%0.11540%0.396CS..THydrogen-bonded Turntrans-76.1-1.1170.8-62.60000113.1S91 L92 V97 A107 T110 F165S91-V95 PolarHBondContact O-N 3.23Å; L92-V95 WeakPolarHBondContact O-CG2 3.42Å; L92-V95 PolarHBondContact O-N 3.43Å; V95-V97 HydrophobicContact CG2-CG2 4.14Å; V95-A107 HydrophobicContact CB-CB 4.08Å; V95-A107 HydrophobicContact CG2-CB 4.45Å; V95-T110 HydrophobicContact CG1-CG2 4.19Å; V95-F165 HydrophobicContact CG1-CE1 3.62Å; V95-F165 HydrophobicContact CG1-CZ 3.91Å
96G89.5Confident91.4Very high15 Ų1568.1 Ų68.116%0.15541%0.408CS..THydrogen-bonded Turntrans9517.1174.200000115.2L92 R93 G94 G98 N99 A102L92-G96 PolarHBondContact O-N 3.4Å; R93-G96 WeakPolarHBondContact O-CA 3.42Å; R93-G96 PolarHBondContact O-N 3.22Å; G94-G96 PolarHBondContact O-N 3.23Å; G96-G98 PolarHBondContact O-N 3.13Å; G96-G98 VanDerWaalsContact O-N 3.13Å; G96-N99 WeakPolarHBondContact O-CB 3.27Å; G96-N99 PolarHBondContact O-N 2.92Å; G96-A102 WeakPolarHBondContact O-CB 3.49Å
97V88.6Confident91.2Very high97 Ų9769 Ų6959%0.58842%0.415SS*.THydrogen-bonded Turntrans-59.4120.3170.1176.40000108.9L92 V95L92-V97 HydrophobicContact CB-CB 4.36Å; L92-V97 HydrophobicContact CB-CG2 4.16Å; L92-V97 HydrophobicContact CD2-CG2 4.17Å; L92-V97 VanDerWaalsContact O-CB 3.26Å; L92-V97 WeakPolarHBondContact O-CB 3.32Å; L92-V97 WeakPolarHBondContact O-CG2 3.44Å; L92-V97 PolarHBondContact O-N 2.76Å; V95-V97 HydrophobicContact CG2-CG2 4.14Å
98G83.1Confident91.1Very high86 Ų8672.4 Ų72.489%0.88744%0.436SS*.THydrogen-bonded Turntrans93.1-2.6-175.300000115.1G96G96-G98 PolarHBondContact O-N 3.13Å; G96-G98 VanDerWaalsContact O-N 3.13Å
99N86.4Confident91.1Very high88 Ų8872.8 Ų72.847%0.47144%0.438SS..  trans-98.9125.1173.1-175.5-5.1000110.8G96 E101 A102G96-N99 WeakPolarHBondContact O-CB 3.27Å; G96-N99 PolarHBondContact O-N 2.92Å; N99-E101 PolarHBondContact O-N 3.26Å; N99-E101 PolarHBondContact OD1-N 3.41Å; N99-A102 HydrophobicContact CB-CB 4.03Å; N99-A102 PolarHBondContact O-N 3.18Å
100Q85.4Confident91.1Very high202 Ų20271.4 Ų71.494%0.94443%0.432SS*.THydrogen-bonded Turntrans-66.7-24-179.9-66.1-176.4-6.100113.5
101E87.3Confident91Very high175 Ų17575.8 Ų75.882%0.81845%0.446SS*.THydrogen-bonded Turntrans-87-12.9179.4-60.2-177.4169.800112.8N99N99-E101 PolarHBondContact O-N 3.26Å; N99-E101 PolarHBondContact OD1-N 3.41Å
102A89.4Confident91.2Very high40 Ų4081 Ų8133%0.33147%0.473SS..  trans-78.6135.8-179.400000111.2G96 N99G96-A102 WeakPolarHBondContact O-CB 3.49Å; N99-A102 HydrophobicContact CB-CB 4.03Å; N99-A102 PolarHBondContact O-N 3.18Å
103T91.8Very high91.4Very high79 Ų7981.9 Ų81.949%0.48548%0.478SS..  trans-100.5142.2178.568.10000111.4A105 A106 A107T103-A105 PolarHBondContact O-N 2.74Å; T103-A106 PolarHBondContact O-N 2.86Å; T103-A106 VanDerWaalsContact OG1-CB 3.3Å; T103-A106 WeakPolarHBondContact OG1-CB 3.35Å; T103-A106 PolarHBondContact OG1-N 2.8Å; T103-A106 VanDerWaalsContact OG1-N 3.15Å; T103-A107 PolarHBondContact O-N 2.94Å; T103-A107 VanDerWaalsContact O-N 3.16Å
104V92.8Very high91.6Very high122 Ų12276.2 Ų76.274%0.73946%0.456SS*.Hα-helixtrans-56.1-35.3172.5178.70000111T108V104-T108 WeakPolarHBondContact O-CB 3.5Å; V104-T108 PolarHBondContact O-N 3.46Å; V104-T108 PolarHBondContact O-OG1 3.44Å
105A93.9Very high91.7Very high66 Ų6678.4 Ų78.455%0.54546%0.462SS..Hα-helixtrans-63.7-47.1177.800000112.5T103 A107 T108 V109T103-A105 PolarHBondContact O-N 2.74Å; A105-A107 PolarHBondContact O-N 3.41Å; A105-T108 WeakPolarHBondContact O-CB 3.21Å; A105-T108 PolarHBondContact O-N 2.85Å; A105-V109 WeakPolarHBondContact O-CG2 3.29Å; A105-V109 PolarHBondContact O-N 2.97Å
106A91.1Very high92Very high55 Ų5579 Ų7946%0.45547%0.472SS..Hα-helixtrans-64.6-40.8178.500000112.3T103 V109 T110T103-A106 PolarHBondContact O-N 2.86Å; T103-A106 VanDerWaalsContact OG1-CB 3.3Å; T103-A106 WeakPolarHBondContact OG1-CB 3.35Å; T103-A106 PolarHBondContact OG1-N 2.8Å; T103-A106 VanDerWaalsContact OG1-N 3.15Å; A106-V109 PolarHBondContact O-N 3.34Å; A106-T110 PolarHBondContact O-N 3Å; A106-T110 VanDerWaalsContact O-N 3.1Å; A106-T110 PolarHBondContact O-OG1 2.97Å; A106-T110 VanDerWaalsContact O-OG1 3.14Å
107A92.9Very high92.4Very high20 Ų2080.4 Ų80.417%0.16548%0.477CS..Hα-helixtrans-59.8-47.2172.400000110.8V95 T103 A105 V109 T110 W111V95-A107 HydrophobicContact CB-CB 4.08Å; V95-A107 HydrophobicContact CG2-CB 4.45Å; T103-A107 PolarHBondContact O-N 2.94Å; T103-A107 VanDerWaalsContact O-N 3.16Å; A105-A107 PolarHBondContact O-N 3.41Å; A107-V109 PolarHBondContact O-N 2.97Å; A107-T110 WeakPolarHBondContact O-CB 3.39Å; A107-T110 PolarHBondContact O-N 3.46Å; A107-T110 VanDerWaalsContact O-N 3.13Å; A107-W111 PolarHBondContact O-N 3.1Å
108T94.9Very high92.8Very high70 Ų7075.8 Ų75.843%0.42945%0.449SS..Hα-helixtrans-59.5-43.6178.7-57.40000112.2V104 A105 T110 W111 L112V104-T108 WeakPolarHBondContact O-CB 3.5Å; V104-T108 PolarHBondContact O-N 3.46Å; V104-T108 PolarHBondContact O-OG1 3.44Å; A105-T108 WeakPolarHBondContact O-CB 3.21Å; A105-T108 PolarHBondContact O-N 2.85Å; T108-T110 VanDerWaalsContact C-N 3.32Å; T108-T110 PolarHBondContact O-N 3.36Å; T108-W111 PolarHBondContact O-N 3.23Å; T108-L112 HydrophobicContact CG2-CD1 4.21Å; T108-L112 HydrophobicContact CG2-CG 4.47Å; T108-L112 WeakPolarHBondContact O-CG 3.24Å; T108-L112 PolarHBondContact O-N 2.87Å
109V95.7Very high93.5Very high82 Ų8276 Ų7650%0.49743%0.429SS..Hα-helixtrans-60.3-43.3175.9170.60000111A105 A106 A107 W111 L112 L113A105-V109 WeakPolarHBondContact O-CG2 3.29Å; A105-V109 PolarHBondContact O-N 2.97Å; A106-V109 PolarHBondContact O-N 3.34Å; A107-V109 PolarHBondContact O-N 2.97Å; V109-W111 VanDerWaalsContact C-N 3.35Å; V109-W111 PolarHBondContact O-N 2.87Å; V109-L112 PolarHBondContact O-N 3.44Å; V109-L113 HydrophobicContact CG1-CD1 3.93Å; V109-L113 HydrophobicContact CG1-CG 4.35Å; V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 WeakPolarHBondContact O-CG 3.26Å; V109-L113 PolarHBondContact O-N 2.94Å
110T94.3Very high94Very high17 Ų1777.6 Ų77.610%0.10444%0.437CS..Hα-helixtrans-62.1-42.7177.4-610000111.8V95 A106 A107 T108 L113 R114 F165 T166 V169V95-T110 HydrophobicContact CG1-CG2 4.19Å; A106-T110 PolarHBondContact O-N 3Å; A106-T110 VanDerWaalsContact O-N 3.1Å; A106-T110 PolarHBondContact O-OG1 2.97Å; A106-T110 VanDerWaalsContact O-OG1 3.14Å; A107-T110 WeakPolarHBondContact O-CB 3.39Å; A107-T110 PolarHBondContact O-N 3.46Å; A107-T110 VanDerWaalsContact O-N 3.13Å; T108-T110 VanDerWaalsContact C-N 3.32Å; T108-T110 PolarHBondContact O-N 3.36Å; T110-L113 PolarHBondContact O-N 3.47Å; T110-R114 WeakPolarHBondContact O-CB 3.36Å; T110-R114 PolarHBondContact O-N 3.32Å; T110-F165 HydrophobicContact CG2-CD1 4.27Å; T110-F165 HydrophobicContact CG2-CE1 3.91Å; T110-T166 HydrophobicContact CG2-CG2 4.25Å; T110-V169 HydrophobicContact CG2-CG2 3.84Å
111W93.1Very high94.6Very high106 Ų10668.5 Ų68.540%0.40240%0.397SS..Hα-helixtrans-61.6-47175-84.969.9000112.1L92 A107 T108 V109 L113 R114 D115L92-W111 HydrophobicContact CD2-CZ2 4.46Å; A107-W111 PolarHBondContact O-N 3.1Å; T108-W111 PolarHBondContact O-N 3.23Å; V109-W111 VanDerWaalsContact C-N 3.35Å; V109-W111 PolarHBondContact O-N 2.87Å; W111-L113 PolarHBondContact O-N 2.81Å; W111-R114 PolarHBondContact O-N 3.25Å; W111-D115 WeakPolarHBondContact O-CB 3.44Å; W111-D115 PolarHBondContact O-N 3.45Å
112L97Very high95Very high119 Ų11965.4 Ų65.462%0.62338%0.377SS*.Hα-helixtrans-61.7-42.2178-73.9173000112.5T108 V109 G116T108-L112 HydrophobicContact CG2-CD1 4.21Å; T108-L112 HydrophobicContact CG2-CG 4.47Å; T108-L112 WeakPolarHBondContact O-CG 3.24Å; T108-L112 PolarHBondContact O-N 2.87Å; V109-L112 PolarHBondContact O-N 3.44Å; L112-G116 PolarHBondContact O-N 3.37Å
113L97.1Very high95.3Very high86 Ų8668.8 Ų68.845%0.4539%0.389SS..Hα-helixtrans-65.9-44.4177.5-72.2173.4000111.7V109 T110 W111 T117 T166V109-L113 HydrophobicContact CG1-CD1 3.93Å; V109-L113 HydrophobicContact CG1-CG 4.35Å; V109-L113 WeakPolarHBondContact O-CB 3.49Å; V109-L113 WeakPolarHBondContact O-CG 3.26Å; V109-L113 PolarHBondContact O-N 2.94Å; T110-L113 PolarHBondContact O-N 3.47Å; W111-L113 PolarHBondContact O-N 2.81Å; L113-T117 WeakPolarHBondContact O-CB 3.22Å; L113-T117 WeakPolarHBondContact O-CG2 3.42Å; L113-T117 PolarHBondContact O-N 2.87Å; L113-T117 PolarHBondContact O-OG1 2.96Å; L113-T166 HydrophobicContact CD1-CG2 3.92Å
114R95.6Very high95.5Very high32 Ų3269.8 Ų69.812%0.12139%0.391CS..Hα-helixtrans-59.8-49.4177-178.5-164.169.6-162.9-3111.1T110 W111 T117 G118 V169 C170T110-R114 WeakPolarHBondContact O-CB 3.36Å; T110-R114 PolarHBondContact O-N 3.32Å; W111-R114 PolarHBondContact O-N 3.25Å; R114-T117 PolarHBondContact O-OG1 2.9Å; R114-G118 PolarHBondContact O-N 2.87Å; R114-V169 WeakPolarHBondContact CG-O 3.38Å; R114-C170 VanDerWaalsContact CA-SG 3.6Å; R114-C170 PolarHBondContact N-SG 3Å
115D94.8Very high95.7Very high71 Ų7165.1 Ų65.138%0.3836%0.361SS..Hα-helixtrans-67.9-45.9-178.3-71.69000110.3W111 T117 G118 M119W111-D115 WeakPolarHBondContact O-CB 3.44Å; W111-D115 PolarHBondContact O-N 3.45Å; D115-T117 PolarHBondContact O-N 2.89Å; D115-G118 PolarHBondContact O-N 2.8Å; D115-M119 VanDerWaalsContact O-CG 3.24Å; D115-M119 WeakPolarHBondContact O-CG 3.44Å; D115-M119 PolarHBondContact O-N 2.86Å
116G97.6Very high95.7Very high32 Ų3264.1 Ų64.133%0.3335%0.352SS..Hα-helixtrans-59-45.917800000113.4L112 M119 L120L112-G116 PolarHBondContact O-N 3.37Å; G116-M119 PolarHBondContact O-N 2.9Å; G116-L120 PolarHBondContact O-N 2.83Å; G116-L120 VanDerWaalsContact O-N 3.12Å
117T97.4Very high95.8Very high43 Ų4371.8 Ų71.826%0.26437%0.369SS..Hα-helixtrans-65.6-40.3175.652.20000112L113 R114 D115 M119 L120 G121L113-T117 WeakPolarHBondContact O-CB 3.22Å; L113-T117 WeakPolarHBondContact O-CG2 3.42Å; L113-T117 PolarHBondContact O-N 2.87Å; L113-T117 PolarHBondContact O-OG1 2.96Å; R114-T117 PolarHBondContact O-OG1 2.9Å; D115-T117 PolarHBondContact O-N 2.89Å; T117-M119 VanDerWaalsContact C-N 3.34Å; T117-M119 PolarHBondContact O-N 2.87Å; T117-L120 PolarHBondContact O-N 3.3Å; T117-G121 PolarHBondContact O-N 2.95Å
118G97.5Very high95.8Very high0 Ų079.9 Ų79.90%040%0.396CS..Hα-helixtrans-57.3-44.8171.400000112.9R114 D115 L120 G121 R122 S177R114-G118 PolarHBondContact O-N 2.87Å; D115-G118 PolarHBondContact O-N 2.8Å; G118-L120 PolarHBondContact O-N 3.15Å; G118-G121 PolarHBondContact O-N 3.44Å; G118-G121 VanDerWaalsContact O-N 3.14Å; G118-R122 PolarHBondContact O-N 2.97Å; G118-S177 VanDerWaalsContact C-OG 3.3Å; G118-S177 WeakPolarHBondContact CA-OG 3.11Å; G118-S177 WeakPolarHBondContact O-CB 3.44Å; G118-S177 PolarHBondContact O-OG 3.02Å
119M97.6Very high95.5Very high91 Ų9180 Ų8045%0.44839%0.39SS..Hα-helixtrans-61.6-39.7177.8-67.3-166.6-171.900112.9D115 G116 T117 R122 I123D115-M119 VanDerWaalsContact O-CG 3.24Å; D115-M119 WeakPolarHBondContact O-CG 3.44Å; D115-M119 PolarHBondContact O-N 2.86Å; G116-M119 PolarHBondContact O-N 2.9Å; T117-M119 VanDerWaalsContact C-N 3.34Å; T117-M119 PolarHBondContact O-N 2.87Å; M119-R122 WeakPolarHBondContact O-CG 3.41Å; M119-R122 PolarHBondContact SD-NH2 3.25Å; M119-I123 WeakPolarHBondContact O-CG1 3.47Å; M119-I123 PolarHBondContact O-N 3.21Å
120L97.4Very high95.1Very high122 Ų12277.5 Ų77.564%0.63938%0.381SS*.Hα-helixtrans-67.1-41.8173.4-67173.1000111.3G116 T117 G118 R122 I123 L124G116-L120 PolarHBondContact O-N 2.83Å; G116-L120 VanDerWaalsContact O-N 3.12Å; T117-L120 PolarHBondContact O-N 3.3Å; G118-L120 PolarHBondContact O-N 3.15Å; L120-R122 PolarHBondContact O-N 3.44Å; L120-I123 PolarHBondContact O-N 3.27Å; L120-L124 WeakPolarHBondContact O-CB 3.45Å; L120-L124 PolarHBondContact O-N 3.32Å
121G96.6Very high94.5Very high10 Ų1081.2 Ų81.210%0.10341%0.408CS..Hα-helixtrans-57.5-48.1177.400000113.1T117 G118 I123 L124 F125T117-G121 PolarHBondContact O-N 2.95Å; G118-G121 PolarHBondContact O-N 3.44Å; G118-G121 VanDerWaalsContact O-N 3.14Å; G121-I123 PolarHBondContact O-N 3.1Å; G121-L124 PolarHBondContact O-N 2.79Å; G121-F125 WeakPolarHBondContact O-CB 3.38Å; G121-F125 PolarHBondContact O-N 2.92Å
122R95.8Very high94.1Very high110 Ų11080 Ų8042%0.41541%0.406SS..Hα-helixtrans-61.8-40.717758.8178.7-175.5-171.20.2112.9G118 M119 L120 F125 A126 V181G118-R122 PolarHBondContact O-N 2.97Å; M119-R122 WeakPolarHBondContact O-CG 3.41Å; M119-R122 PolarHBondContact SD-NH2 3.25Å; L120-R122 PolarHBondContact O-N 3.44Å; R122-F125 PolarHBondContact O-N 3.46Å; R122-A126 VanDerWaalsContact O-CB 3.28Å; R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 2.71Å; R122-V181 HydrophobicContact CB-CG2 3.58Å
123I97.1Very high93.6Very high111 Ų11174.6 Ų74.657%0.56938%0.377SS*.Hα-helixtrans-65.9-48.4179.8-68.4168000109.8M119 L120 G121 F125 A126 W127M119-I123 WeakPolarHBondContact O-CG1 3.47Å; M119-I123 PolarHBondContact O-N 3.21Å; L120-I123 PolarHBondContact O-N 3.27Å; G121-I123 PolarHBondContact O-N 3.1Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 2.89Å; I123-A126 PolarHBondContact O-N 2.87Å; I123-W127 WeakPolarHBondContact O-CB 3.33Å; I123-W127 PolarHBondContact O-N 2.64Å
124L96.3Very high93.2Very high101 Ų10173.9 Ų73.953%0.52937%0.374SS..Hα-helixtrans-61.3-41.6179.2179.859000111.7L120 G121 W127 R128L120-L124 WeakPolarHBondContact O-CB 3.45Å; L120-L124 PolarHBondContact O-N 3.32Å; G121-L124 PolarHBondContact O-N 2.79Å; L124-W127 HydrophobicContact CD1-CE3 3.77Å; L124-W127 HydrophobicContact CD1-CZ3 3.98Å; L124-R128 WeakPolarHBondContact O-CB 3.28Å; L124-R128 PolarHBondContact O-N 2.92Å
125F96Very high92.8Very high24 Ų2472.6 Ų72.611%0.10537%0.369CS..Hα-helixtrans-67.2-47.5177.5179.6-98.7000112.1G121 R122 I123 W127 R128 K129 L133 W140 I178 V181 A182G121-F125 WeakPolarHBondContact O-CB 3.38Å; G121-F125 PolarHBondContact O-N 2.92Å; R122-F125 PolarHBondContact O-N 3.46Å; I123-F125 VanDerWaalsContact C-N 3.32Å; I123-F125 PolarHBondContact O-N 2.89Å; F125-W127 VanDerWaalsContact C-N 3.3Å; F125-W127 PolarHBondContact O-N 2.66Å; F125-R128 PolarHBondContact O-N 3.14Å; F125-K129 HydrophobicContact CD2-CB 4.22Å; F125-K129 HydrophobicContact CD2-CG 4.2Å; F125-K129 HydrophobicContact CE1-CB 4.45Å; F125-K129 HydrophobicContact CE2-CB 3.83Å; F125-K129 HydrophobicContact CE2-CG 3.89Å; F125-K129 HydrophobicContact CZ-CB 3.96Å; F125-K129 HydrophobicContact CZ-CG 4.48Å; F125-K129 PolarHBondContact O-N 2.68Å; F125-L133 HydrophobicContact CE1-CD1 4.38Å; F125-L133 HydrophobicContact CE1-CD2 4.32Å; F125-L133 HydrophobicContact CZ-CD2 4.28Å; F125-W140 AromaticContact CE2-CH2 3.96Å; F125-W140 HydrophobicContact CE2-CH2 3.96Å; F125-W140 AromaticContact CE2-CZ3 3.8Å; F125-W140 HydrophobicContact CE2-CZ3 3.8Å; F125-W140 HydrophobicContact CZ-CE3 4.11Å; F125-W140 AromaticContact CZ-CH2 3.92Å; F125-W140 HydrophobicContact CZ-CH2 3.92Å; F125-W140 AromaticContact CZ-CZ3 3.55Å; F125-W140 HydrophobicContact CZ-CZ3 3.55Å; F125-I178 HydrophobicContact CB-CG1 3.96Å; F125-I178 HydrophobicContact CD1-CG2 4.06Å; F125-I178 HydrophobicContact CD2-CG1 4.28Å; F125-I178 HydrophobicContact CD2-CG2 3.67Å; F125-I178 HydrophobicContact CE1-CG2 4.11Å; F125-I178 HydrophobicContact CE2-CG2 3.71Å; F125-I178 HydrophobicContact CG-CB 4.38Å; F125-I178 HydrophobicContact CG-CG1 4.09Å; F125-I178 HydrophobicContact CG-CG2 3.85Å; F125-I178 HydrophobicContact CZ-CG2 3.93Å; F125-V181 HydrophobicContact CD1-CB 3.98Å; F125-V181 HydrophobicContact CD1-CG1 3.84Å; F125-V181 HydrophobicContact CE1-CB 4.32Å; F125-V181 HydrophobicContact CE1-CG1 4.1Å; F125-A182 HydrophobicContact CE1-CB 4.11Å; F125-A182 HydrophobicContact CZ-CB 4.3Å
126A94.9Very high92.7Very high44 Ų4470.5 Ų70.536%0.36436%0.357SS..Hα-helixtrans-57.5-45176.700000111.3R122 I123 R128 G130 V181R122-A126 VanDerWaalsContact O-CB 3.28Å; R122-A126 WeakPolarHBondContact O-CB 3.48Å; R122-A126 PolarHBondContact O-N 2.71Å; I123-A126 PolarHBondContact O-N 2.87Å; A126-R128 PolarHBondContact O-N 3.42Å; A126-G130 VanDerWaalsContact O-CA 3.29Å; A126-G130 WeakPolarHBondContact O-CA 3.4Å; A126-G130 PolarHBondContact O-N 3.05Å; A126-V181 HydrophobicContact CB-CG1 4.19Å
127W93.1Very high92.5Very high216 Ų21669 Ų6982%0.81834%0.343SS*.Hα-helixtrans-61.7-42.2176.6174.650.8000112.9I123 L124 F125I123-W127 WeakPolarHBondContact O-CB 3.33Å; I123-W127 PolarHBondContact O-N 2.64Å; L124-W127 HydrophobicContact CD1-CE3 3.77Å; L124-W127 HydrophobicContact CD1-CZ3 3.98Å; F125-W127 VanDerWaalsContact C-N 3.3Å; F125-W127 PolarHBondContact O-N 2.66Å
128R91.2Very high92.4Very high190 Ų19067.3 Ų67.372%0.71733%0.331SS*.Hα-helixtrans-84.4-28.2-174.1-171.4174.6177.5138.7-0.6114.3L124 F125 A126L124-R128 WeakPolarHBondContact O-CB 3.28Å; L124-R128 PolarHBondContact O-N 2.92Å; F125-R128 PolarHBondContact O-N 3.14Å; A126-R128 PolarHBondContact O-N 3.42Å
129K90Very high92.3Very high73 Ų7368.3 Ų68.332%0.31734%0.336SS..Hα-helixtrans-130.1-6.6-168-67-62.8-175.11790114.9F125 S131 K132 W140F125-K129 HydrophobicContact CD2-CB 4.22Å; F125-K129 HydrophobicContact CD2-CG 4.2Å; F125-K129 HydrophobicContact CE1-CB 4.45Å; F125-K129 HydrophobicContact CE2-CB 3.83Å; F125-K129 HydrophobicContact CE2-CG 3.89Å; F125-K129 HydrophobicContact CZ-CB 3.96Å; F125-K129 HydrophobicContact CZ-CG 4.48Å; F125-K129 PolarHBondContact O-N 2.68Å; K129-S131 VanDerWaalsContact C-N 3.31Å; K129-S131 PolarHBondContact O-N 3.32Å; K129-K132 PolarHBondContact O-N 3.03Å; K129-W140 HydrophobicContact CB-CH2 4.33Å; K129-W140 HydrophobicContact CB-CZ2 4.4Å; K129-W140 HydrophobicContact CD-CH2 4.25Å; K129-W140 HydrophobicContact CD-CZ2 4.24Å; K129-W140 HydrophobicContact CG-CH2 4.18Å; K129-W140 HydrophobicContact CG-CZ2 4.49Å
130G86.8Confident92.2Very high30 Ų3065 Ų6531%0.30932%0.318SS..G310 helixtrans-53.5-43-174.500000114.2A126 K132 L133A126-G130 VanDerWaalsContact O-CA 3.29Å; A126-G130 WeakPolarHBondContact O-CA 3.4Å; A126-G130 PolarHBondContact O-N 3.05Å; G130-K132 PolarHBondContact O-N 3.38Å; G130-K132 VanDerWaalsContact O-N 3.14Å; G130-L133 PolarHBondContact O-N 3.24Å
131S82.5Confident92.1Very high95 Ų9560.1 Ų60.166%0.66429%0.291SS*.G310 helixtrans-63.9-18.9-178.855.50000114.7K129K129-S131 VanDerWaalsContact C-N 3.31Å; K129-S131 PolarHBondContact O-N 3.32Å
132K83.4Confident92Very high81 Ų8160 Ų6035%0.35229%0.288SS..G310 helixtrans-96.4-4.6-176.7-51.6-149.2169.3-139.40114.1K129 G130 S135 W140 D414K129-K132 PolarHBondContact O-N 3.03Å; G130-K132 PolarHBondContact O-N 3.38Å; G130-K132 VanDerWaalsContact O-N 3.14Å; K132-S135 PolarHBondContact O-OG 2.79Å; K132-W140 PolarHBondContact O-NE1 3.37Å; K132-D414 WeakPolarHBondContact CD-OD2 3.49Å; K132-D414 WeakPolarHBondContact CE-OD2 3.43Å; K132-D414 WeakPolarHBondContact CG-OD1 3.33Å; K132-D414 IonicContact NZ-OD1 3.64Å; K132-D414 IonicContact NZ-OD2 3.65Å; K132-D414 PolarHBondContact NZ-OD2 3.1Å
133L88.1Confident92Very high4 Ų458.1 Ų58.12%0.02128%0.283CS..THydrogen-bonded Turntrans-73.2-33-171.7-64.5174.9000111.5F125 G130 A137 W140 V181 A182 A185F125-L133 HydrophobicContact CE1-CD1 4.38Å; F125-L133 HydrophobicContact CE1-CD2 4.32Å; F125-L133 HydrophobicContact CZ-CD2 4.28Å; G130-L133 PolarHBondContact O-N 3.24Å; L133-A137 VanDerWaalsContact O-CA 3.28Å; L133-A137 WeakPolarHBondContact O-CA 3.17Å; L133-A137 PolarHBondContact O-N 3.16Å; L133-W140 HydrophobicContact CD2-CB 4.17Å; L133-W140 HydrophobicContact CD2-CD2 3.54Å; L133-W140 HydrophobicContact CD2-CE3 4.05Å; L133-W140 HydrophobicContact CD2-CG 3.59Å; L133-W140 HydrophobicContact CD2-CZ2 4.41Å; L133-V181 HydrophobicContact CD1-CG1 4.3Å; L133-A182 HydrophobicContact CD2-CB 4.33Å; L133-A185 HydrophobicContact CB-CB 3.84Å; L133-A185 HydrophobicContact CD1-CB 3.48Å; L133-A185 VanDerWaalsContact CD1-CB 3.48Å; L133-A185 HydrophobicContact CG-CB 4.25Å
134D87.7Confident92Very high71 Ų7152.9 Ų52.938%0.3826%0.257SS..THydrogen-bonded Turntrans-72-45.8178-68.5-41.7000112.6E136 L412D134-E136 VanDerWaalsContact C-N 3.29Å; D134-E136 PolarHBondContact O-N 3.04Å; D134-L412 HydrophobicContact CB-CD2 4.2Å
135S87.6Confident92Very high5 Ų548.9 Ų48.94%0.03524%0.236CC..THydrogen-bonded Turntrans-65.2-31.2-175.954.40000114K132 N264 L412K132-S135 PolarHBondContact O-OG 2.79Å; S135-N264 WeakPolarHBondContact O-CB 3.33Å; S135-N264 PolarHBondContact O-ND2 3.05Å; S135-L412 WeakPolarHBondContact CB-O 3.46Å
136E91.3Very high92.1Very high27 Ų2750.7 Ų50.713%0.12625%0.249CC..THydrogen-bonded Turntrans-12434.2-174.2-64.5-62.7167.200112.1D134 K138 K139 W140D134-E136 VanDerWaalsContact C-N 3.29Å; D134-E136 PolarHBondContact O-N 3.04Å; E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 2.99Å; E136-K138 VanDerWaalsContact O-N 3.16Å; E136-K139 HydrophobicContact CB-CB 4.43Å; E136-K139 HydrophobicContact CB-CD 4.45Å; E136-K139 VanDerWaalsContact CD-NZ 3.27Å; E136-K139 PolarHBondContact O-N 2.68Å; E136-K139 IonicContact OE1-NZ 2.71Å; E136-K139 PolarHBondContact OE1-NZ 2.98Å; E136-K139 WeakPolarHBondContact OE2-CD 3.39Å; E136-K139 WeakPolarHBondContact OE2-CE 3.33Å; E136-K139 IonicContact OE2-NZ 3.1Å; E136-K139 PolarHBondContact OE2-NZ 2.85Å; E136-W140 PolarHBondContact O-N 2.56Å
137A94.2Very high92.2Very high2 Ų249.5 Ų49.52%0.01724%0.236CC..Hα-helixtrans-53.2-41.9-171.300000114L133 K139 W140 R141 T186 A189 L190 M260L133-A137 VanDerWaalsContact O-CA 3.28Å; L133-A137 WeakPolarHBondContact O-CA 3.17Å; L133-A137 PolarHBondContact O-N 3.16Å; A137-K139 PolarHBondContact O-N 3.43Å; A137-W140 PolarHBondContact O-N 3.36Å; A137-R141 WeakPolarHBondContact O-CG 3.47Å; A137-R141 PolarHBondContact O-N 3.44Å; A137-T186 HydrophobicContact CB-CG2 4.03Å; A137-T186 WeakPolarHBondContact O-CG2 3.42Å; A137-A189 HydrophobicContact CB-CB 4.08Å; A137-L190 HydrophobicContact CB-CD1 4.03Å; A137-M260 HydrophobicContact CB-CE 4.38Å
138K95.6Very high92.4Very high6 Ų640.1 Ų40.13%0.02620%0.202CC..Hα-helixtrans-61.5-41.6176.6-67.6179.9179.9173.80112.8E136 L142 V255 V258 N288 E291 V293E136-K138 VanDerWaalsContact C-N 3.29Å; E136-K138 PolarHBondContact O-N 2.99Å; E136-K138 VanDerWaalsContact O-N 3.16Å; K138-L142 PolarHBondContact O-N 2.6Å; K138-V255 HydrophobicContact CB-CB 4.14Å; K138-V255 WeakPolarHBondContact CD-O 3.32Å; K138-V255 WeakPolarHBondContact CE-O 3.23Å; K138-V255 HydrophobicContact CG-CB 4.21Å; K138-V258 WeakPolarHBondContact CE-O 3.47Å; K138-V258 PolarHBondContact NZ-O 3.41Å; K138-N288 PolarHBondContact NZ-OD1 3Å; K138-E291 IonicContact NZ-OE2 2.61Å; K138-E291 PolarHBondContact NZ-OE2 3.16Å; K138-V293 HydrophobicContact CB-CG1 4.38Å; K138-V293 HydrophobicContact CD-CG1 4.39Å
139K94.9Very high92.8Very high22 Ų2231.5 Ų31.510%0.09617%0.17CC..Hα-helixtrans-69.9-43.1179.4-61-176.7-175.3143.60111.2E136 A137 R141 L142 F143 P292 V293 L295E136-K139 HydrophobicContact CB-CB 4.43Å; E136-K139 HydrophobicContact CB-CD 4.45Å; E136-K139 VanDerWaalsContact CD-NZ 3.27Å; E136-K139 PolarHBondContact O-N 2.68Å; E136-K139 IonicContact OE1-NZ 2.71Å; E136-K139 PolarHBondContact OE1-NZ 2.98Å; E136-K139 WeakPolarHBondContact OE2-CD 3.39Å; E136-K139 WeakPolarHBondContact OE2-CE 3.33Å; E136-K139 IonicContact OE2-NZ 3.1Å; E136-K139 PolarHBondContact OE2-NZ 2.85Å; A137-K139 PolarHBondContact O-N 3.43Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 3.37Å; K139-L142 PolarHBondContact O-N 3.34Å; K139-F143 WeakPolarHBondContact O-CB 3.35Å; K139-F143 PolarHBondContact O-N 2.96Å; K139-P292 WeakPolarHBondContact CE-O 3.29Å; K139-V293 VanDerWaalsContact CA-O 3.29Å; K139-V293 WeakPolarHBondContact CA-O 3.37Å; K139-L295 HydrophobicContact CB-CD2 3.94Å; K139-L295 HydrophobicContact CB-CG 4.47Å; K139-L295 HydrophobicContact CD-CD2 4.31Å
140W95.3Very high93.2Very high21 Ų2131.8 Ų31.88%0.0817%0.174CC..Hα-helixtrans-65.8-34.4178.6-78.9114.5000112.7F125 K129 K132 L133 E136 A137 F143 A144 T186F125-W140 AromaticContact CE2-CH2 3.96Å; F125-W140 HydrophobicContact CE2-CH2 3.96Å; F125-W140 AromaticContact CE2-CZ3 3.8Å; F125-W140 HydrophobicContact CE2-CZ3 3.8Å; F125-W140 HydrophobicContact CZ-CE3 4.11Å; F125-W140 AromaticContact CZ-CH2 3.92Å; F125-W140 HydrophobicContact CZ-CH2 3.92Å; F125-W140 AromaticContact CZ-CZ3 3.55Å; F125-W140 HydrophobicContact CZ-CZ3 3.55Å; K129-W140 HydrophobicContact CB-CH2 4.33Å; K129-W140 HydrophobicContact CB-CZ2 4.4Å; K129-W140 HydrophobicContact CD-CH2 4.25Å; K129-W140 HydrophobicContact CD-CZ2 4.24Å; K129-W140 HydrophobicContact CG-CH2 4.18Å; K129-W140 HydrophobicContact CG-CZ2 4.49Å; K132-W140 PolarHBondContact O-NE1 3.37Å; L133-W140 HydrophobicContact CD2-CB 4.17Å; L133-W140 HydrophobicContact CD2-CD2 3.54Å; L133-W140 HydrophobicContact CD2-CE3 4.05Å; L133-W140 HydrophobicContact CD2-CG 3.59Å; L133-W140 HydrophobicContact CD2-CZ2 4.41Å; E136-W140 PolarHBondContact O-N 2.56Å; A137-W140 PolarHBondContact O-N 3.36Å; W140-F143 AromaticContact CE3-CD1 3.62Å; W140-F143 HydrophobicContact CE3-CD1 3.62Å; W140-F143 HydrophobicContact CE3-CE1 4.2Å; W140-F143 HydrophobicContact CE3-CG 4.33Å; W140-F143 AromaticContact CZ3-CD1 3.6Å; W140-F143 HydrophobicContact CZ3-CD1 3.6Å; W140-F143 AromaticContact CZ3-CE1 3.73Å; W140-F143 HydrophobicContact CZ3-CE1 3.73Å; W140-F143 HydrophobicContact CZ3-CG 4.41Å; W140-F143 PolarHBondContact O-N 2.81Å; W140-A144 WeakPolarHBondContact O-CB 3.42Å; W140-A144 PolarHBondContact O-N 2.91Å; W140-T186 HydrophobicContact CB-CG2 3.55Å
141R95.4Very high93.8Very high19 Ų1930.4 Ų30.47%0.07216%0.16CC..Hα-helixtrans-60.5-50.5171.5-80.9-16863.896.50.1112.6Y69 D73 Q76 A137 K139 A144 D145 T186 N251 V255Y69-R141 PolarHBondContact OH-NH1 2.8Å; Y69-R141 VanDerWaalsContact OH-NH1 3.09Å; Y69-R141 PolarHBondContact OH-NH2 2.92Å; D73-R141 IonicContact OD1-CZ 3.04Å; D73-R141 IonicContact OD1-NH1 3.25Å; D73-R141 IonicContact OD1-NH2 2.84Å; D73-R141 PolarHBondContact OD1-NH2 2.75Å; Q76-R141 VanDerWaalsContact OE1-NH2 3.14Å; A137-R141 WeakPolarHBondContact O-CG 3.47Å; A137-R141 PolarHBondContact O-N 3.44Å; K139-R141 VanDerWaalsContact C-N 3.33Å; K139-R141 PolarHBondContact O-N 3.37Å; R141-A144 PolarHBondContact O-N 2.84Å; R141-D145 PolarHBondContact O-N 2.82Å; R141-D145 VanDerWaalsContact O-N 3.11Å; R141-T186 HydrophobicContact CG-CG2 4.32Å; R141-T186 WeakPolarHBondContact CG-OG1 3.37Å; R141-N251 PolarHBondContact O-ND2 3.37Å; R141-N251 VanDerWaalsContact O-ND2 3.17Å; R141-V255 HydrophobicContact CB-CG1 3.89Å
142L95.3Very high94.5Very high8 Ų826 Ų264%0.04213%0.129CC..Hα-helixtrans-65-40.7178.1-77.5174000112.3K138 K139 D145 V146 N251 Y252 V255 V293 F294K138-L142 PolarHBondContact O-N 2.6Å; K139-L142 PolarHBondContact O-N 3.34Å; L142-D145 PolarHBondContact O-N 3.17Å; L142-V146 WeakPolarHBondContact O-CG2 2.97Å; L142-V146 PolarHBondContact O-N 3.43Å; L142-V146 VanDerWaalsContact O-N 3.08Å; L142-N251 HydrophobicContact CD2-CB 3.82Å; L142-Y252 HydrophobicContact CD1-CD2 4.39Å; L142-V255 HydrophobicContact CD1-CG2 3.64Å; L142-V255 HydrophobicContact CD2-CG2 4.36Å; L142-V255 HydrophobicContact CG-CG2 3.87Å; L142-V293 HydrophobicContact CD1-CB 3.75Å; L142-V293 HydrophobicContact CD1-CG2 3.56Å; L142-V293 WeakPolarHBondContact CD1-O 3.32Å; L142-F294 HydrophobicContact CD1-CD1 4.41Å; L142-F294 HydrophobicContact CD1-CE1 4.18Å
143F95.6Very high95.2Very high70 Ų7025 Ų2531%0.30713%0.125SC..Hα-helixtrans-61.3-44.9175.7171.3-97.1000112.1K139 W140 D145 V146 L147 L295K139-F143 WeakPolarHBondContact O-CB 3.35Å; K139-F143 PolarHBondContact O-N 2.96Å; W140-F143 AromaticContact CE3-CD1 3.62Å; W140-F143 HydrophobicContact CE3-CD1 3.62Å; W140-F143 HydrophobicContact CE3-CE1 4.2Å; W140-F143 HydrophobicContact CE3-CG 4.33Å; W140-F143 AromaticContact CZ3-CD1 3.6Å; W140-F143 HydrophobicContact CZ3-CD1 3.6Å; W140-F143 AromaticContact CZ3-CE1 3.73Å; W140-F143 HydrophobicContact CZ3-CE1 3.73Å; W140-F143 HydrophobicContact CZ3-CG 4.41Å; W140-F143 PolarHBondContact O-N 2.81Å; F143-D145 VanDerWaalsContact C-N 3.34Å; F143-D145 PolarHBondContact O-N 2.96Å; F143-V146 PolarHBondContact O-N 3.23Å; F143-L147 HydrophobicContact CE1-CD2 3.95Å; F143-L147 HydrophobicContact CZ-CD2 4.07Å; F143-L147 WeakPolarHBondContact O-CB 3.43Å; F143-L147 PolarHBondContact O-N 3.03Å; F143-L295 HydrophobicContact CB-CD1 3.8Å; F143-L295 HydrophobicContact CB-CG 4.37Å; F143-L295 HydrophobicContact CD2-CD1 3.44Å; F143-L295 VanDerWaalsContact CD2-CD1 3.44Å; F143-L295 HydrophobicContact CE2-CD1 4.16Å; F143-L295 HydrophobicContact CG-CD1 3.67Å
144A96.1Very high95.7Very high2 Ų226.8 Ų26.82%0.01713%0.133CC..Hα-helixtrans-60.7-44.1179.400000111W140 R141 L147 N148 V179 A182W140-A144 WeakPolarHBondContact O-CB 3.42Å; W140-A144 PolarHBondContact O-N 2.91Å; R141-A144 PolarHBondContact O-N 2.84Å; A144-L147 PolarHBondContact O-N 3.34Å; A144-N148 WeakPolarHBondContact O-CB 3.25Å; A144-N148 PolarHBondContact O-N 3.4Å; A144-V179 HydrophobicContact CB-CG1 4.21Å; A144-V179 HydrophobicContact CB-CG2 4.47Å; A144-V179 WeakPolarHBondContact O-CG2 3.5Å; A144-A182 HydrophobicContact CB-CB 4.02Å
145D96.8Very high96.2Very high17 Ų1723.8 Ų23.89%0.09112%0.117CC..Hα-helixtrans-68.5-39.1179.5-80.92.4000113.2Q76 R141 L142 F143 L147 N148 D149 H247 L248 N251Q76-D145 PolarHBondContact NE2-OD2 3.39Å; Q76-D145 VanDerWaalsContact NE2-OD2 3.08Å; R141-D145 PolarHBondContact O-N 2.82Å; R141-D145 VanDerWaalsContact O-N 3.11Å; L142-D145 PolarHBondContact O-N 3.17Å; F143-D145 VanDerWaalsContact C-N 3.34Å; F143-D145 PolarHBondContact O-N 2.96Å; D145-L147 VanDerWaalsContact C-N 3.31Å; D145-L147 PolarHBondContact O-N 2.93Å; D145-N148 WeakPolarHBondContact O-CB 3.1Å; D145-N148 PolarHBondContact O-N 3.12Å; D145-D149 PolarHBondContact O-N 3.06Å; D145-H247 VanDerWaalsContact CB-CE1 3.48Å; D145-H247 WeakPolarHBondContact CB-CE1 3.47Å; D145-H247 VanDerWaalsContact CG-CE1 3.46Å; D145-H247 IonicContact OD1-CE1 3.7Å; D145-H247 IonicContact OD1-NE2 3.34Å; D145-H247 IonicContact OD2-CE1 2.69Å; D145-H247 IonicContact OD2-NE2 3.91Å; D145-H247 PolarHBondContact OD2-NE2 2.64Å; D145-L248 HydrophobicContact CB-CD2 4.16Å; D145-N251 WeakPolarHBondContact CB-ND2 3.4Å; D145-N251 WeakPolarHBondContact OD2-CB 3.45Å; D145-N251 PolarHBondContact OD2-ND2 2.95Å
146V97.7Very high96.6Very high62 Ų6223.9 Ų23.938%0.37612%0.117SC..Hα-helixtrans-60.2-43.7171.8171.40000110.7L142 F143 N148 D149 I150 L248L142-V146 WeakPolarHBondContact O-CG2 2.97Å; L142-V146 PolarHBondContact O-N 3.43Å; L142-V146 VanDerWaalsContact O-N 3.08Å; F143-V146 PolarHBondContact O-N 3.23Å; V146-N148 VanDerWaalsContact C-N 3.31Å; V146-N148 PolarHBondContact O-N 3.43Å; V146-D149 PolarHBondContact O-N 3.31Å; V146-I150 HydrophobicContact CG1-CD1 4.07Å; V146-I150 VanDerWaalsContact O-CG1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.39Å; V146-I150 PolarHBondContact O-N 3.17Å; V146-L248 HydrophobicContact CG2-CD1 4.29Å; V146-L248 HydrophobicContact CG2-CD2 3.68Å
147L97.8Very high96.8Very high18 Ų1825.2 Ų25.29%0.09413%0.125CC..Hα-helixtrans-66.5-34.4178.1-171.164.5000111.9F143 A144 D145 I150 A151 F175 I178 V179F143-L147 HydrophobicContact CE1-CD2 3.95Å; F143-L147 HydrophobicContact CZ-CD2 4.07Å; F143-L147 WeakPolarHBondContact O-CB 3.43Å; F143-L147 PolarHBondContact O-N 3.03Å; A144-L147 PolarHBondContact O-N 3.34Å; D145-L147 VanDerWaalsContact C-N 3.31Å; D145-L147 PolarHBondContact O-N 2.93Å; L147-I150 PolarHBondContact O-N 2.84Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 2.73Å; L147-F175 HydrophobicContact CD1-CB 4.06Å; L147-F175 HydrophobicContact CD1-CD1 3.93Å; L147-F175 HydrophobicContact CD1-CD2 3.68Å; L147-F175 HydrophobicContact CD1-CE1 4.28Å; L147-F175 HydrophobicContact CD1-CE2 4.05Å; L147-F175 HydrophobicContact CD1-CG 3.62Å; L147-F175 HydrophobicContact CD1-CZ 4.33Å; L147-F175 HydrophobicContact CD2-CB 4.41Å; L147-F175 HydrophobicContact CG-CB 3.95Å; L147-F175 HydrophobicContact CG-CD2 4.44Å; L147-F175 HydrophobicContact CG-CG 4.08Å; L147-I178 HydrophobicContact CD2-CB 4.01Å; L147-I178 HydrophobicContact CD2-CG2 3.69Å; L147-V179 HydrophobicContact CB-CG2 3.9Å; L147-V179 HydrophobicContact CD2-CG2 4.11Å; L147-V179 HydrophobicContact CG-CG2 4.07Å
148N98.3Very high96.9Very high20 Ų2025.1 Ų25.111%0.10712%0.124CC..Hα-helixtrans-65.4-45.8174.9-169.453.5000111.4S80 A144 D145 V146 I150 A151 M152 V179S80-N148 PolarHBondContact OG-ND2 3.13Å; A144-N148 WeakPolarHBondContact O-CB 3.25Å; A144-N148 PolarHBondContact O-N 3.4Å; D145-N148 WeakPolarHBondContact O-CB 3.1Å; D145-N148 PolarHBondContact O-N 3.12Å; V146-N148 VanDerWaalsContact C-N 3.31Å; V146-N148 PolarHBondContact O-N 3.43Å; N148-I150 VanDerWaalsContact C-N 3.34Å; N148-I150 PolarHBondContact O-N 3.39Å; N148-A151 WeakPolarHBondContact O-CB 3.32Å; N148-A151 PolarHBondContact O-N 2.82Å; N148-A151 VanDerWaalsContact O-N 3.15Å; N148-M152 VanDerWaalsContact ND2-CE 3.33Å; N148-M152 WeakPolarHBondContact ND2-CE 3.07Å; N148-M152 WeakPolarHBondContact O-CG 3.32Å; N148-M152 PolarHBondContact O-N 2.95Å; N148-V179 HydrophobicContact CB-CG1 3.91Å; N148-V179 HydrophobicContact CB-CG2 3.98Å
149D98.4Very high96.8Very high8 Ų826.3 Ų26.34%0.04313%0.133CC..Hα-helixtrans-62.3-41.9176.8-71.4-34.1000111.2D145 V146 A151 M152 F153 F240 T244 H247 L248D145-D149 PolarHBondContact O-N 3.06Å; V146-D149 PolarHBondContact O-N 3.31Å; D149-A151 VanDerWaalsContact C-N 3.33Å; D149-A151 PolarHBondContact O-N 2.82Å; D149-M152 PolarHBondContact O-N 2.9Å; D149-M152 WeakPolarHBondContact OD1-CE 3.13Å; D149-F153 WeakPolarHBondContact O-CB 3.2Å; D149-F153 PolarHBondContact O-N 2.78Å; D149-F240 WeakPolarHBondContact O-CZ 3.19Å; D149-T244 HydrophobicContact CB-CG2 4.05Å; D149-H247 VanDerWaalsContact CG-ND1 3.32Å; D149-H247 IonicContact OD1-CE1 2.78Å; D149-H247 IonicContact OD1-ND1 3.64Å; D149-H247 PolarHBondContact OD1-ND1 2.95Å; D149-H247 VanDerWaalsContact OD1-ND1 3.1Å; D149-H247 IonicContact OD2-CE1 3.07Å; D149-H247 IonicContact OD2-CG 3.5Å; D149-H247 IonicContact OD2-ND1 3.96Å; D149-H247 PolarHBondContact OD2-ND1 3.47Å; D149-L248 VanDerWaalsContact OD2-CD2 3.31Å; D149-L248 WeakPolarHBondContact OD2-CD2 3.22Å; D149-L248 WeakPolarHBondContact OD2-CG 3.49Å
150I98.6Very high96.7Very high80 Ų8031 Ų3141%0.4115%0.154SC..Hα-helixtrans-58.4-46.6172.5-68.5166000110.5V146 L147 N148 F153 M154 F175V146-I150 HydrophobicContact CG1-CD1 4.07Å; V146-I150 VanDerWaalsContact O-CG1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.39Å; V146-I150 PolarHBondContact O-N 3.17Å; L147-I150 PolarHBondContact O-N 2.84Å; N148-I150 VanDerWaalsContact C-N 3.34Å; N148-I150 PolarHBondContact O-N 3.39Å; I150-F153 PolarHBondContact O-N 3.07Å; I150-M154 HydrophobicContact CG2-CG 4.48Å; I150-M154 HydrophobicContact CG2-SD 4.15Å; I150-M154 VanDerWaalsContact O-CG 3.27Å; I150-M154 WeakPolarHBondContact O-CG 3.27Å; I150-M154 PolarHBondContact O-N 3.36Å; I150-F175 HydrophobicContact CG2-CD2 4.02Å; I150-F175 HydrophobicContact CG2-CE2 3.83Å
151A98.4Very high96.6Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-63.8-43.3-179.600000112.7L147 N148 D149 F153 M154 E155 A172 F175 K176L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 2.73Å; N148-A151 WeakPolarHBondContact O-CB 3.32Å; N148-A151 PolarHBondContact O-N 2.82Å; N148-A151 VanDerWaalsContact O-N 3.15Å; D149-A151 VanDerWaalsContact C-N 3.33Å; D149-A151 PolarHBondContact O-N 2.82Å; A151-F153 VanDerWaalsContact C-N 3.34Å; A151-M154 WeakPolarHBondContact O-CB 3.04Å; A151-M154 PolarHBondContact O-N 3.34Å; A151-E155 PolarHBondContact O-N 3.1Å; A151-E155 VanDerWaalsContact O-N 3.1Å; A151-A172 HydrophobicContact CB-CB 4.21Å; A151-F175 HydrophobicContact CB-CB 3.74Å; A151-F175 HydrophobicContact CB-CD2 4.41Å; A151-K176 HydrophobicContact CB-CG 3.78Å
152M98.5Very high96.4Very high4 Ų439.3 Ų39.32%0.0220%0.203CC..Hα-helixtrans-63.6-41175.5-71.4-172.6-64.600111.4G84 A87 N148 D149 M154 E155 I156 F240G84-M152 PolarHBondContact N-SD 2.72Å; A87-M152 HydrophobicContact CB-CB 3.92Å; A87-M152 HydrophobicContact CB-CG 4.12Å; N148-M152 VanDerWaalsContact ND2-CE 3.33Å; N148-M152 WeakPolarHBondContact ND2-CE 3.07Å; N148-M152 WeakPolarHBondContact O-CG 3.32Å; N148-M152 PolarHBondContact O-N 2.95Å; D149-M152 PolarHBondContact O-N 2.9Å; D149-M152 WeakPolarHBondContact OD1-CE 3.13Å; M152-M154 VanDerWaalsContact C-N 3.34Å; M152-M154 PolarHBondContact O-N 2.96Å; M152-E155 PolarHBondContact O-N 2.85Å; M152-I156 WeakPolarHBondContact O-CG1 3.46Å; M152-I156 PolarHBondContact O-N 3.46Å; M152-F240 HydrophobicContact CB-CE2 3.75Å; M152-F240 HydrophobicContact CB-CZ 4.2Å; M152-F240 HydrophobicContact CE-CE2 4.45Å
153F98.4Very high96.3Very high60 Ų6044.3 Ų44.326%0.26325%0.245SC..Hα-helixtrans-63.6-40.7176-171-123.4000112.2D149 I150 A151 E155 I156 L157 F240 F241D149-F153 WeakPolarHBondContact O-CB 3.2Å; D149-F153 PolarHBondContact O-N 2.78Å; I150-F153 PolarHBondContact O-N 3.07Å; A151-F153 VanDerWaalsContact C-N 3.34Å; F153-E155 VanDerWaalsContact C-N 3.31Å; F153-E155 PolarHBondContact O-N 3.04Å; F153-I156 PolarHBondContact O-N 2.77Å; F153-L157 HydrophobicContact CD1-CD1 3.94Å; F153-L157 HydrophobicContact CD1-CG 4.48Å; F153-L157 HydrophobicContact CD2-CG 4.43Å; F153-L157 HydrophobicContact CE1-CD1 3.4Å; F153-L157 HydrophobicContact CE1-CG 4.15Å; F153-L157 HydrophobicContact CE2-CD1 4.19Å; F153-L157 HydrophobicContact CE2-CD2 4.28Å; F153-L157 HydrophobicContact CE2-CG 4.08Å; F153-L157 HydrophobicContact CZ-CD1 3.54Å; F153-L157 HydrophobicContact CZ-CD2 4.2Å; F153-L157 HydrophobicContact CZ-CG 3.94Å; F153-L157 WeakPolarHBondContact O-CG 3.48Å; F153-L157 PolarHBondContact O-N 2.87Å; F153-F240 HydrophobicContact CB-CE1 3.61Å; F153-F240 HydrophobicContact CB-CZ 3.69Å; F153-F240 AromaticContact CD2-CD1 3.75Å; F153-F240 HydrophobicContact CD2-CD1 3.75Å; F153-F240 AromaticContact CD2-CE1 3.5Å; F153-F240 HydrophobicContact CD2-CE1 3.5Å; F153-F240 VanDerWaalsContact CD2-CE1 3.5Å; F153-F240 HydrophobicContact CD2-CZ 4.34Å; F153-F240 HydrophobicContact CE2-CD1 4.45Å; F153-F240 HydrophobicContact CE2-CE1 4.49Å; F153-F240 AromaticContact CG-CE1 3.88Å; F153-F240 HydrophobicContact CG-CE1 3.88Å; F153-F240 HydrophobicContact CG-CZ 4.45Å; F153-F241 HydrophobicContact CE2-CE2 4.19Å; F153-F241 AromaticContact CE2-CZ 3.9Å; F153-F241 HydrophobicContact CE2-CZ 3.9Å; F153-F241 HydrophobicContact CZ-CE2 4.5Å; F153-F241 AromaticContact CZ-CZ 3.97Å; F153-F241 HydrophobicContact CZ-CZ 3.97Å
154M98.1Very high96.3Very high41 Ų4143.5 Ų43.520%0.20225%0.247CC..Hα-helixtrans-58.1-42.7173.6-72.3175.768.800111.8I150 A151 M152 L157 A158 V168 T171 A172 F175I150-M154 HydrophobicContact CG2-CG 4.48Å; I150-M154 HydrophobicContact CG2-SD 4.15Å; I150-M154 VanDerWaalsContact O-CG 3.27Å; I150-M154 WeakPolarHBondContact O-CG 3.27Å; I150-M154 PolarHBondContact O-N 3.36Å; A151-M154 WeakPolarHBondContact O-CB 3.04Å; A151-M154 PolarHBondContact O-N 3.34Å; M152-M154 VanDerWaalsContact C-N 3.34Å; M152-M154 PolarHBondContact O-N 2.96Å; M154-L157 PolarHBondContact O-N 3.33Å; M154-A158 WeakPolarHBondContact O-CB 3.37Å; M154-A158 PolarHBondContact O-N 3.17Å; M154-V168 HydrophobicContact CB-CG1 4Å; M154-V168 HydrophobicContact CE-CG1 4.07Å; M154-V168 WeakPolarHBondContact O-CG1 3.39Å; M154-T171 HydrophobicContact CE-CG2 3.71Å; M154-A172 HydrophobicContact CB-CB 4.1Å; M154-F175 HydrophobicContact SD-CD2 3.98Å; M154-F175 HydrophobicContact SD-CE2 3.79Å
155E97.3Very high96.2Very high7 Ų744 Ų443%0.03325%0.249CC..Hα-helixtrans-67-38.1176.2-73175.7175.500113A87 A151 M152 F153 L157 A158 P159 A172 K176A87-E155 HydrophobicContact CB-CB 4.13Å; A87-E155 WeakPolarHBondContact CB-OE2 3.34Å; A151-E155 PolarHBondContact O-N 3.1Å; A151-E155 VanDerWaalsContact O-N 3.1Å; M152-E155 PolarHBondContact O-N 2.85Å; F153-E155 VanDerWaalsContact C-N 3.31Å; F153-E155 PolarHBondContact O-N 3.04Å; E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.16Å; E155-A158 PolarHBondContact O-N 3.09Å; E155-P159 WeakPolarHBondContact O-CD 3.45Å; E155-A172 HydrophobicContact CG-CB 3.91Å; E155-K176 WeakPolarHBondContact OE1-CE 3.49Å; E155-K176 IonicContact OE1-NZ 2.67Å; E155-K176 PolarHBondContact OE1-NZ 3.19Å; E155-K176 IonicContact OE2-NZ 3.99Å; E155-K176 PolarHBondContact OE2-NZ 3.43Å
156I97.1Very high96.2Very high7 Ų745.7 Ų45.74%0.03626%0.26CS..Hα-helixtrans-62.3-40.3174.5-68.9170000110.9L86 A87 A90 M152 F153 P159 T236 V237 F240L86-I156 HydrophobicContact CB-CD1 4.2Å; A87-I156 HydrophobicContact CB-CD1 4.48Å; A87-I156 HydrophobicContact CB-CG1 4.07Å; A90-I156 HydrophobicContact CB-CG1 4.46Å; M152-I156 WeakPolarHBondContact O-CG1 3.46Å; M152-I156 PolarHBondContact O-N 3.46Å; F153-I156 PolarHBondContact O-N 2.77Å; I156-P159 WeakPolarHBondContact O-CD 3.35Å; I156-T236 HydrophobicContact CG2-CG2 4.21Å; I156-V237 HydrophobicContact CG2-CG2 4.42Å; I156-F240 HydrophobicContact CD1-CB 3.9Å; I156-F240 HydrophobicContact CD1-CD1 4.22Å; I156-F240 HydrophobicContact CD1-CD2 3.24Å; I156-F240 HydrophobicContact CD1-CE2 3.78Å; I156-F240 HydrophobicContact CD1-CG 3.49Å; I156-F240 VanDerWaalsContact CD1-CG 3.49Å; I156-F240 HydrophobicContact CD1-CZ 4.47Å
157L95.8Very high96.2Very high55 Ų5548.5 Ų48.529%0.28827%0.272SS..Hα-helixtrans-80.1-27.2179.8-70.2-173.6000113.6F153 M154 E155 P159 H160 F161F153-L157 HydrophobicContact CD1-CD1 3.94Å; F153-L157 HydrophobicContact CD1-CG 4.48Å; F153-L157 HydrophobicContact CD2-CG 4.43Å; F153-L157 HydrophobicContact CE1-CD1 3.4Å; F153-L157 HydrophobicContact CE1-CG 4.15Å; F153-L157 HydrophobicContact CE2-CD1 4.19Å; F153-L157 HydrophobicContact CE2-CD2 4.28Å; F153-L157 HydrophobicContact CE2-CG 4.08Å; F153-L157 HydrophobicContact CZ-CD1 3.54Å; F153-L157 HydrophobicContact CZ-CD2 4.2Å; F153-L157 HydrophobicContact CZ-CG 3.94Å; F153-L157 WeakPolarHBondContact O-CG 3.48Å; F153-L157 PolarHBondContact O-N 2.87Å; M154-L157 PolarHBondContact O-N 3.33Å; E155-L157 VanDerWaalsContact C-N 3.3Å; E155-L157 PolarHBondContact O-N 3.16Å; L157-P159 VanDerWaalsContact C-N 3.32Å; L157-P159 VanDerWaalsContact O-N 3.12Å; L157-H160 WeakPolarHBondContact O-CB 3.39Å; L157-H160 PolarHBondContact O-N 3.14Å; L157-H160 PolarHBondContact O-ND1 3.1Å; L157-H160 VanDerWaalsContact O-ND1 3.17Å; L157-F161 HydrophobicContact CB-CE2 4.3Å; L157-F161 WeakPolarHBondContact O-CD2 3.4Å
158A96.1Very high96.2Very high1 Ų148.8 Ų48.81%0.00828%0.275CS..G310 helixtrans-49.2-41.5-17200000114.7M154 E155 H160 F161 F165 V168 V169M154-A158 WeakPolarHBondContact O-CB 3.37Å; M154-A158 PolarHBondContact O-N 3.17Å; E155-A158 PolarHBondContact O-N 3.09Å; A158-H160 PolarHBondContact O-N 3.25Å; A158-H160 VanDerWaalsContact O-N 3.12Å; A158-F161 CarbonylContact O-C 3.52Å; A158-F161 PolarHBondContact O-N 2.89Å; A158-F165 HydrophobicContact CB-CD2 3.63Å; A158-F165 HydrophobicContact CB-CE2 3.62Å; A158-V168 HydrophobicContact CB-CB 4.23Å; A158-V168 HydrophobicContact CB-CG1 3.82Å; A158-V169 HydrophobicContact CB-CG1 3.94Å
159P93.6Very high96.1Very high31 Ų3147.9 Ų47.920%0.20127%0.27CS..G310 helixtrans-60.2-22.1178.1-25.736.6000114.8A90 E155 I156 L157 F161A90-P159 HydrophobicContact CB-CG 4.26Å; A90-P159 WeakPolarHBondContact O-CG 3.46Å; E155-P159 WeakPolarHBondContact O-CD 3.45Å; I156-P159 WeakPolarHBondContact O-CD 3.35Å; L157-P159 VanDerWaalsContact C-N 3.32Å; L157-P159 VanDerWaalsContact O-N 3.12Å; P159-F161 PolarHBondContact O-N 3.39Å
160H92.6Very high96.1Very high120 Ų12048.2 Ų48.256%0.55627%0.273SS*.G310 helixtrans-78.2-8.4176.3-56.385.1000112.7L157 A158 P162L157-H160 WeakPolarHBondContact O-CB 3.39Å; L157-H160 PolarHBondContact O-N 3.14Å; L157-H160 PolarHBondContact O-ND1 3.1Å; L157-H160 VanDerWaalsContact O-ND1 3.17Å; A158-H160 PolarHBondContact O-N 3.25Å; A158-H160 VanDerWaalsContact O-N 3.12Å; H160-P162 VanDerWaalsContact C-CD 3.46Å
161F93.6Very high96.1Very high111 Ų11146.6 Ų46.649%0.48727%0.267SS..  trans-126.164.7178.5-53.8-83.8000112.2L157 A158 P159 A163 C164 F165L157-F161 HydrophobicContact CB-CE2 4.3Å; L157-F161 WeakPolarHBondContact O-CD2 3.4Å; A158-F161 CarbonylContact O-C 3.52Å; A158-F161 PolarHBondContact O-N 2.89Å; P159-F161 PolarHBondContact O-N 3.39Å; F161-A163 VanDerWaalsContact C-N 3.25Å; F161-A163 PolarHBondContact O-N 2.81Å; F161-A163 VanDerWaalsContact O-N 3.12Å; F161-C164 WeakPolarHBondContact CB-SG 3.18Å; F161-C164 CarbonylContact O-C 3.46Å; F161-C164 PolarHBondContact O-N 3.01Å; F161-F165 PolarHBondContact O-N 2.92Å
162P90.7Very high96.1Very high104 Ų10446.6 Ų46.668%0.67527%0.267SS*.G310 helixtrans-54.4-37.5-174.6-26.534.6000114.3H160 C164 F165H160-P162 VanDerWaalsContact C-CD 3.46Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 3.36Å; P162-F165 PolarHBondContact O-N 3.16Å
163A92.9Very high96Very high113 Ų11346.8 Ų46.893%0.93427%0.269SS*.G310 helixtrans-64.1-26.6-178.600000114F161F161-A163 VanDerWaalsContact C-N 3.25Å; F161-A163 PolarHBondContact O-N 2.81Å; F161-A163 VanDerWaalsContact O-N 3.12Å
164C94.9Very high96Very high52 Ų5246.5 Ų46.535%0.35127%0.27SS..G310 helixtrans-121.115.1177.964.60000113.1F161 P162 T166 L167 V168F161-C164 WeakPolarHBondContact CB-SG 3.18Å; F161-C164 CarbonylContact O-C 3.46Å; F161-C164 PolarHBondContact O-N 3.01Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 3.36Å; C164-T166 PolarHBondContact O-N 2.99Å; C164-L167 WeakPolarHBondContact O-CB 3.35Å; C164-L167 PolarHBondContact O-N 3.48Å; C164-V168 WeakPolarHBondContact O-CG2 3.45Å; C164-V168 PolarHBondContact O-N 2.95Å
165F95.6Very high96Very high14 Ų1447.2 Ų47.26%0.06127%0.272CS..Hα-helixtrans-49.1-54.3-175.7176.6-94.6000112.3G94 V95 T110 A158 F161 P162 L167 V168 V169G94-F165 VanDerWaalsContact C-CZ 3.42Å; G94-F165 VanDerWaalsContact CA-CE2 3.42Å; V95-F165 HydrophobicContact CG1-CE1 3.62Å; V95-F165 HydrophobicContact CG1-CZ 3.91Å; T110-F165 HydrophobicContact CG2-CD1 4.27Å; T110-F165 HydrophobicContact CG2-CE1 3.91Å; A158-F165 HydrophobicContact CB-CD2 3.63Å; A158-F165 HydrophobicContact CB-CE2 3.62Å; F161-F165 PolarHBondContact O-N 2.92Å; P162-F165 PolarHBondContact O-N 3.16Å; F165-L167 VanDerWaalsContact C-N 3.3Å; F165-L167 PolarHBondContact O-N 2.92Å; F165-V168 PolarHBondContact O-N 3.28Å; F165-V168 VanDerWaalsContact O-N 3.14Å; F165-V169 HydrophobicContact CD1-CG1 4.47Å; F165-V169 HydrophobicContact CD1-CG2 4.43Å; F165-V169 HydrophobicContact CD2-CG1 4.36Å; F165-V169 HydrophobicContact CE1-CG1 3.95Å; F165-V169 HydrophobicContact CE1-CG2 4.12Å; F165-V169 HydrophobicContact CE2-CG1 3.81Å; F165-V169 HydrophobicContact CZ-CG1 3.59Å; F165-V169 WeakPolarHBondContact O-CG2 3.39Å; F165-V169 PolarHBondContact O-N 3.42Å
166T96Very high96.1Very high51 Ų5149.8 Ų49.831%0.31328%0.283SS..Hα-helixtrans-57.7-41.5180-53.70000111.8T110 L113 C164 V169 C170T110-T166 HydrophobicContact CG2-CG2 4.25Å; L113-T166 HydrophobicContact CD1-CG2 3.92Å; C164-T166 PolarHBondContact O-N 2.99Å; T166-V169 WeakPolarHBondContact O-CG2 3.44Å; T166-C170 VanDerWaalsContact O-CB 3.28Å; T166-C170 WeakPolarHBondContact O-CB 3.44Å; T166-C170 PolarHBondContact O-N 3.15Å; T166-C170 PolarHBondContact O-SG 3.36Å
167L97.1Very high96.1Very high121 Ų12151 Ų5163%0.63429%0.292SS*.Hα-helixtrans-65.8-42178.4-176.4120.3000111.5C164 F165 T171C164-L167 WeakPolarHBondContact O-CB 3.35Å; C164-L167 PolarHBondContact O-N 3.48Å; F165-L167 VanDerWaalsContact C-N 3.3Å; F165-L167 PolarHBondContact O-N 2.92Å; L167-T171 WeakPolarHBondContact O-CB 3.43Å; L167-T171 PolarHBondContact O-N 2.67Å; L167-T171 PolarHBondContact O-OG1 2.89Å
168V97.9Very high96.1Very high24 Ų2449.7 Ų49.715%0.14529%0.285CS..Hα-helixtrans-63.9-49.6178.1176.20000110.5M154 A158 C164 F165 T171 A172M154-V168 HydrophobicContact CB-CG1 4Å; M154-V168 HydrophobicContact CE-CG1 4.07Å; M154-V168 WeakPolarHBondContact O-CG1 3.39Å; A158-V168 HydrophobicContact CB-CB 4.23Å; A158-V168 HydrophobicContact CB-CG1 3.82Å; C164-V168 WeakPolarHBondContact O-CG2 3.45Å; C164-V168 PolarHBondContact O-N 2.95Å; F165-V168 PolarHBondContact O-N 3.28Å; F165-V168 VanDerWaalsContact O-N 3.14Å; V168-T171 PolarHBondContact O-N 2.98Å; V168-A172 PolarHBondContact O-N 3.2Å
169V96.9Very high96.2Very high1 Ų150.5 Ų50.51%0.00629%0.29CS..Hα-helixtrans-68.8-35.4-178.8-590000112.6T110 R114 A158 F165 T166 T171 A172 G173T110-V169 HydrophobicContact CG2-CG2 3.84Å; R114-V169 WeakPolarHBondContact CG-O 3.38Å; A158-V169 HydrophobicContact CB-CG1 3.94Å; F165-V169 HydrophobicContact CD1-CG1 4.47Å; F165-V169 HydrophobicContact CD1-CG2 4.43Å; F165-V169 HydrophobicContact CD2-CG1 4.36Å; F165-V169 HydrophobicContact CE1-CG1 3.95Å; F165-V169 HydrophobicContact CE1-CG2 4.12Å; F165-V169 HydrophobicContact CE2-CG1 3.81Å; F165-V169 HydrophobicContact CZ-CG1 3.59Å; F165-V169 WeakPolarHBondContact O-CG2 3.39Å; F165-V169 PolarHBondContact O-N 3.42Å; T166-V169 WeakPolarHBondContact O-CG2 3.44Å; V169-T171 VanDerWaalsContact C-N 3.34Å; V169-A172 PolarHBondContact O-N 3.18Å; V169-G173 PolarHBondContact O-N 3.34Å
170C98.1Very high96.3Very high15 Ų1551.4 Ų51.410%0.10131%0.305CS..Hα-helixtrans-61.6-43.2171.6-72.50000111.4R114 T166 G173 I174R114-C170 VanDerWaalsContact CA-SG 3.6Å; R114-C170 PolarHBondContact N-SG 3Å; T166-C170 VanDerWaalsContact O-CB 3.28Å; T166-C170 WeakPolarHBondContact O-CB 3.44Å; T166-C170 PolarHBondContact O-N 3.15Å; T166-C170 PolarHBondContact O-SG 3.36Å; C170-G173 PolarHBondContact O-N 2.84Å; C170-I174 WeakPolarHBondContact O-CG1 3.2Å; C170-I174 PolarHBondContact O-N 3.28Å
171T98.2Very high96.5Very high47 Ų4747.4 Ų47.429%0.28829%0.289SS..Hα-helixtrans-63.5-44.5176.7-51.80000111.4M154 L167 V168 V169 G173 I174 F175M154-T171 HydrophobicContact CE-CG2 3.71Å; L167-T171 WeakPolarHBondContact O-CB 3.43Å; L167-T171 PolarHBondContact O-N 2.67Å; L167-T171 PolarHBondContact O-OG1 2.89Å; V168-T171 PolarHBondContact O-N 2.98Å; V169-T171 VanDerWaalsContact C-N 3.34Å; T171-G173 VanDerWaalsContact C-N 3.29Å; T171-G173 PolarHBondContact O-N 3.09Å; T171-I174 WeakPolarHBondContact O-CB 3.19Å; T171-I174 PolarHBondContact O-N 3.34Å; T171-F175 HydrophobicContact CG2-CE1 4.33Å; T171-F175 HydrophobicContact CG2-CZ 4.19Å; T171-F175 PolarHBondContact O-N 2.87Å
172A98.2Very high96.6Very high0 Ų042.1 Ų42.10%027%0.266CS..Hα-helixtrans-60.1-39173.100000111.9A151 M154 E155 V168 V169 F175 K176A151-A172 HydrophobicContact CB-CB 4.21Å; M154-A172 HydrophobicContact CB-CB 4.1Å; E155-A172 HydrophobicContact CG-CB 3.91Å; V168-A172 PolarHBondContact O-N 3.2Å; V169-A172 PolarHBondContact O-N 3.18Å; A172-F175 WeakPolarHBondContact O-CB 3.47Å; A172-F175 PolarHBondContact O-N 3.26Å; A172-K176 PolarHBondContact O-N 3.18Å
173G97.8Very high96.8Very high7 Ų738.4 Ų38.47%0.07225%0.246CC..Hα-helixtrans-62.4-40.6174.900000113.4V169 C170 T171 S177V169-G173 PolarHBondContact O-N 3.34Å; C170-G173 PolarHBondContact O-N 2.84Å; T171-G173 VanDerWaalsContact C-N 3.29Å; T171-G173 PolarHBondContact O-N 3.09Å; G173-S177 VanDerWaalsContact O-CB 3.3Å; G173-S177 WeakPolarHBondContact O-CB 3.44Å; G173-S177 PolarHBondContact O-N 2.92Å; G173-S177 PolarHBondContact O-OG 3.42Å
174I98.4Very high96.9Very high54 Ų5435 Ų3528%0.27722%0.222SC..Hα-helixtrans-60.2-48.5171.3-68.7166.6000110.1C170 T171 S177 I178C170-I174 WeakPolarHBondContact O-CG1 3.2Å; C170-I174 PolarHBondContact O-N 3.28Å; T171-I174 WeakPolarHBondContact O-CB 3.19Å; T171-I174 PolarHBondContact O-N 3.34Å; I174-S177 WeakPolarHBondContact O-CB 3.38Å; I174-S177 PolarHBondContact O-N 2.74Å; I174-I178 HydrophobicContact CG2-CD1 3.99Å; I174-I178 WeakPolarHBondContact O-CG1 3.36Å; I174-I178 PolarHBondContact O-N 2.69Å
175F98.3Very high96.9Very high56 Ų5634 Ų3425%0.24622%0.218CC..Hα-helixtrans-59-51.8178.5-73.10.1000111.6L147 I150 A151 M154 T171 A172 S177 I178 V179L147-F175 HydrophobicContact CD1-CB 4.06Å; L147-F175 HydrophobicContact CD1-CD1 3.93Å; L147-F175 HydrophobicContact CD1-CD2 3.68Å; L147-F175 HydrophobicContact CD1-CE1 4.28Å; L147-F175 HydrophobicContact CD1-CE2 4.05Å; L147-F175 HydrophobicContact CD1-CG 3.62Å; L147-F175 HydrophobicContact CD1-CZ 4.33Å; L147-F175 HydrophobicContact CD2-CB 4.41Å; L147-F175 HydrophobicContact CG-CB 3.95Å; L147-F175 HydrophobicContact CG-CD2 4.44Å; L147-F175 HydrophobicContact CG-CG 4.08Å; I150-F175 HydrophobicContact CG2-CD2 4.02Å; I150-F175 HydrophobicContact CG2-CE2 3.83Å; A151-F175 HydrophobicContact CB-CB 3.74Å; A151-F175 HydrophobicContact CB-CD2 4.41Å; M154-F175 HydrophobicContact SD-CD2 3.98Å; M154-F175 HydrophobicContact SD-CE2 3.79Å; T171-F175 HydrophobicContact CG2-CE1 4.33Å; T171-F175 HydrophobicContact CG2-CZ 4.19Å; T171-F175 PolarHBondContact O-N 2.87Å; A172-F175 WeakPolarHBondContact O-CB 3.47Å; A172-F175 PolarHBondContact O-N 3.26Å; F175-S177 PolarHBondContact O-N 3.08Å; F175-I178 WeakPolarHBondContact O-CB 3.48Å; F175-I178 PolarHBondContact O-N 2.93Å; F175-I178 VanDerWaalsContact O-N 3.08Å; F175-V179 VanDerWaalsContact O-CG2 3.3Å; F175-V179 WeakPolarHBondContact O-CG2 3.41Å; F175-V179 PolarHBondContact O-N 3.3Å
176K97.6Very high96.9Very high62 Ų6233.3 Ų33.327%0.2722%0.215SC..Hα-helixtrans-58.1-35175.7-74-177.41761780113.1A151 E155 A172 V179 G180A151-K176 HydrophobicContact CB-CG 3.78Å; E155-K176 WeakPolarHBondContact OE1-CE 3.49Å; E155-K176 IonicContact OE1-NZ 2.67Å; E155-K176 PolarHBondContact OE1-NZ 3.19Å; E155-K176 IonicContact OE2-NZ 3.99Å; E155-K176 PolarHBondContact OE2-NZ 3.43Å; A172-K176 PolarHBondContact O-N 3.18Å; K176-V179 WeakPolarHBondContact O-CB 3.32Å; K176-V179 PolarHBondContact O-N 3Å; K176-G180 PolarHBondContact O-N 3.43Å
177S97.7Very high96.8Very high32 Ų3234.7 Ų34.722%0.22421%0.214CC..Hα-helixtrans-69.3-38.4176.9-61.90000112.2G118 G173 I174 F175 G180 V181G118-S177 VanDerWaalsContact C-OG 3.3Å; G118-S177 WeakPolarHBondContact CA-OG 3.11Å; G118-S177 WeakPolarHBondContact O-CB 3.44Å; G118-S177 PolarHBondContact O-OG 3.02Å; G173-S177 VanDerWaalsContact O-CB 3.3Å; G173-S177 WeakPolarHBondContact O-CB 3.44Å; G173-S177 PolarHBondContact O-N 2.92Å; G173-S177 PolarHBondContact O-OG 3.42Å; I174-S177 WeakPolarHBondContact O-CB 3.38Å; I174-S177 PolarHBondContact O-N 2.74Å; F175-S177 PolarHBondContact O-N 3.08Å; S177-G180 PolarHBondContact O-N 3.44Å; S177-V181 PolarHBondContact O-N 3.36Å
178I96.6Very high96.7Very high28 Ų2831.1 Ų31.114%0.14420%0.202CC..Hα-helixtrans-62.7-45.3171.2-68.1168.6000110.4F125 L147 I174 F175 G180 V181 A182F125-I178 HydrophobicContact CB-CG1 3.96Å; F125-I178 HydrophobicContact CD1-CG2 4.06Å; F125-I178 HydrophobicContact CD2-CG1 4.28Å; F125-I178 HydrophobicContact CD2-CG2 3.67Å; F125-I178 HydrophobicContact CE1-CG2 4.11Å; F125-I178 HydrophobicContact CE2-CG2 3.71Å; F125-I178 HydrophobicContact CG-CB 4.38Å; F125-I178 HydrophobicContact CG-CG1 4.09Å; F125-I178 HydrophobicContact CG-CG2 3.85Å; F125-I178 HydrophobicContact CZ-CG2 3.93Å; L147-I178 HydrophobicContact CD2-CB 4.01Å; L147-I178 HydrophobicContact CD2-CG2 3.69Å; I174-I178 HydrophobicContact CG2-CD1 3.99Å; I174-I178 WeakPolarHBondContact O-CG1 3.36Å; I174-I178 PolarHBondContact O-N 2.69Å; F175-I178 WeakPolarHBondContact O-CB 3.48Å; F175-I178 PolarHBondContact O-N 2.93Å; F175-I178 VanDerWaalsContact O-N 3.08Å; I178-G180 VanDerWaalsContact C-N 3.31Å; I178-G180 PolarHBondContact O-N 2.98Å; I178-V181 PolarHBondContact O-N 2.87Å; I178-A182 PolarHBondContact O-N 3.32Å
179V97.3Very high96.6Very high18 Ų1830.5 Ų30.511%0.10920%0.199CC..Hα-helixtrans-57.3-45175.5172.40000111A144 L147 N148 F175 K176 V181 A182 G183A144-V179 HydrophobicContact CB-CG1 4.21Å; A144-V179 HydrophobicContact CB-CG2 4.47Å; A144-V179 WeakPolarHBondContact O-CG2 3.5Å; L147-V179 HydrophobicContact CB-CG2 3.9Å; L147-V179 HydrophobicContact CD2-CG2 4.11Å; L147-V179 HydrophobicContact CG-CG2 4.07Å; N148-V179 HydrophobicContact CB-CG1 3.91Å; N148-V179 HydrophobicContact CB-CG2 3.98Å; F175-V179 VanDerWaalsContact O-CG2 3.3Å; F175-V179 WeakPolarHBondContact O-CG2 3.41Å; F175-V179 PolarHBondContact O-N 3.3Å; K176-V179 WeakPolarHBondContact O-CB 3.32Å; K176-V179 PolarHBondContact O-N 3Å; V179-V181 VanDerWaalsContact C-N 3.32Å; V179-V181 PolarHBondContact O-N 3.01Å; V179-A182 PolarHBondContact O-N 3.15Å; V179-G183 WeakPolarHBondContact O-CA 3.41Å; V179-G183 PolarHBondContact O-N 3Å
180G96.5Very high96.5Very high49 Ų4930.6 Ų30.651%0.50520%0.2SC..Hα-helixtrans-58.6-41.6177.700000113.1K176 S177 I178 G184K176-G180 PolarHBondContact O-N 3.43Å; S177-G180 PolarHBondContact O-N 3.44Å; I178-G180 VanDerWaalsContact C-N 3.31Å; I178-G180 PolarHBondContact O-N 2.98Å; G180-G184 PolarHBondContact O-N 3.45Å
181V96.4Very high96.4Very high37 Ų3730.2 Ų30.222%0.22420%0.197CC..Hα-helixtrans-69.2-50.1177.1177.30000111.5R122 F125 A126 L133 S177 I178 V179 G184 A185R122-V181 HydrophobicContact CB-CG2 3.58Å; F125-V181 HydrophobicContact CD1-CB 3.98Å; F125-V181 HydrophobicContact CD1-CG1 3.84Å; F125-V181 HydrophobicContact CE1-CB 4.32Å; F125-V181 HydrophobicContact CE1-CG1 4.1Å; A126-V181 HydrophobicContact CB-CG1 4.19Å; L133-V181 HydrophobicContact CD1-CG1 4.3Å; S177-V181 PolarHBondContact O-N 3.36Å; I178-V181 PolarHBondContact O-N 2.87Å; V179-V181 VanDerWaalsContact C-N 3.32Å; V179-V181 PolarHBondContact O-N 3.01Å; V181-G184 PolarHBondContact O-N 3.27Å; V181-A185 WeakPolarHBondContact O-CB 3.37Å; V181-A185 PolarHBondContact O-N 3.23Å
182A95.7Very high96.3Very high0 Ų030.7 Ų30.70%020%0.199CC..Hα-helixtrans-63.8-45.6-179.300000111.6F125 L133 A144 I178 V179 T186F125-A182 HydrophobicContact CE1-CB 4.11Å; F125-A182 HydrophobicContact CZ-CB 4.3Å; L133-A182 HydrophobicContact CD2-CB 4.33Å; A144-A182 HydrophobicContact CB-CB 4.02Å; I178-A182 PolarHBondContact O-N 3.32Å; V179-A182 PolarHBondContact O-N 3.15Å; A182-T186 WeakPolarHBondContact O-CB 3.29Å; A182-T186 WeakPolarHBondContact O-CG2 3.37Å; A182-T186 PolarHBondContact O-N 3.49Å; A182-T186 PolarHBondContact O-OG1 3.11Å
183G94.7Very high96.2Very high25 Ų2531.7 Ų31.726%0.25820%0.204SC..Hα-helixtrans-60.9-46.3176.100000112.2V179 T186 R187V179-G183 WeakPolarHBondContact O-CA 3.41Å; V179-G183 PolarHBondContact O-N 3Å; G183-T186 PolarHBondContact O-OG1 3.24Å; G183-R187 WeakPolarHBondContact O-CB 3.46Å; G183-R187 PolarHBondContact O-N 3.18Å
184G94.6Very high96.2Very high43 Ų4331.6 Ų31.644%0.44320%0.202SC..Hα-helixtrans-62.4-47.9177.700000113.4G180 V181 R187 A188G180-G184 PolarHBondContact O-N 3.45Å; V181-G184 PolarHBondContact O-N 3.27Å; G184-R187 PolarHBondContact O-N 3.27Å; G184-A188 PolarHBondContact O-N 3.48Å
185A94.9Very high96.1Very high30 Ų3030.1 Ų30.125%0.24820%0.198CC..Hα-helixtrans-65.7-45.7179.700000112.2L133 V181 R187 A188 A189L133-A185 HydrophobicContact CB-CB 3.84Å; L133-A185 HydrophobicContact CD1-CB 3.48Å; L133-A185 VanDerWaalsContact CD1-CB 3.48Å; L133-A185 HydrophobicContact CG-CB 4.25Å; V181-A185 WeakPolarHBondContact O-CB 3.37Å; V181-A185 PolarHBondContact O-N 3.23Å; A185-R187 PolarHBondContact O-N 2.85Å; A185-A188 WeakPolarHBondContact O-CB 3.36Å; A185-A188 PolarHBondContact O-N 3.37Å; A185-A189 PolarHBondContact O-N 2.84Å
186T95.3Very high96Very high0 Ų031.9 Ų31.90%020%0.203CC..Hα-helixtrans-69.5-33.2179.457.10000112.6A137 W140 R141 A182 G183 A188 A189 L190A137-T186 HydrophobicContact CB-CG2 4.03Å; A137-T186 WeakPolarHBondContact O-CG2 3.42Å; W140-T186 HydrophobicContact CB-CG2 3.55Å; R141-T186 HydrophobicContact CG-CG2 4.32Å; R141-T186 WeakPolarHBondContact CG-OG1 3.37Å; A182-T186 WeakPolarHBondContact O-CB 3.29Å; A182-T186 WeakPolarHBondContact O-CG2 3.37Å; A182-T186 PolarHBondContact O-N 3.49Å; A182-T186 PolarHBondContact O-OG1 3.11Å; G183-T186 PolarHBondContact O-OG1 3.24Å; T186-A188 VanDerWaalsContact C-N 3.35Å; T186-A189 PolarHBondContact O-N 2.93Å; T186-L190 VanDerWaalsContact O-CD1 3.24Å; T186-L190 WeakPolarHBondContact O-CD1 3.36Å; T186-L190 PolarHBondContact O-N 3.09Å
187R95.2Very high95.9Very high80 Ų8035.2 Ų35.230%0.30221%0.214SC..Hα-helixtrans-60.3-45.3169.4-176.6171.9123.2175.38.8110.8G183 G184 A185 A189 L190 T191 D207 E211G183-R187 WeakPolarHBondContact O-CB 3.46Å; G183-R187 PolarHBondContact O-N 3.18Å; G184-R187 PolarHBondContact O-N 3.27Å; A185-R187 PolarHBondContact O-N 2.85Å; R187-A189 PolarHBondContact O-N 2.88Å; R187-L190 PolarHBondContact O-N 3.37Å; R187-T191 PolarHBondContact O-N 2.61Å; R187-T191 PolarHBondContact O-OG1 3.49Å; R187-D207 WeakPolarHBondContact CD-OD2 3.42Å; R187-D207 IonicContact CZ-OD2 3.31Å; R187-D207 IonicContact NE-OD2 2.6Å; R187-D207 PolarHBondContact NE-OD2 3.43Å; R187-D207 IonicContact NH2-OD2 2.74Å; R187-E211 IonicContact CZ-OE2 3.53Å; R187-E211 IonicContact NH1-OE2 3.96Å; R187-E211 PolarHBondContact NH1-OE2 3.47Å
188A95.4Very high95.7Very high45 Ų4541.8 Ų41.837%0.37225%0.246SC..Hα-helixtrans-58.4-46175.300000112G184 A185 T186 L190 T191 V192 M200G184-A188 PolarHBondContact O-N 3.48Å; A185-A188 WeakPolarHBondContact O-CB 3.36Å; A185-A188 PolarHBondContact O-N 3.37Å; T186-A188 VanDerWaalsContact C-N 3.35Å; A188-L190 VanDerWaalsContact C-N 3.33Å; A188-L190 PolarHBondContact O-N 3.28Å; A188-T191 PolarHBondContact O-N 2.78Å; A188-V192 WeakPolarHBondContact O-CG2 3.06Å; A188-V192 PolarHBondContact O-N 3.3Å; A188-M200 WeakPolarHBondContact O-CE 3.25Å
189A94.6Very high95.7Very high11 Ų1141.5 Ų41.59%0.09125%0.245CC..Hα-helixtrans-59.3-41.5175.800000112.7A137 A185 T186 R187 V192 H193A137-A189 HydrophobicContact CB-CB 4.08Å; A185-A189 PolarHBondContact O-N 2.84Å; T186-A189 PolarHBondContact O-N 2.93Å; R187-A189 PolarHBondContact O-N 2.88Å; A189-V192 PolarHBondContact O-N 3.22Å; A189-H193 PolarHBondContact O-N 2.92Å; A189-H193 VanDerWaalsContact O-N 3.12Å
190L95.4Very high95.6Very high4 Ų444 Ų442%0.02126%0.256CS..Hα-helixtrans-67.1-40.1174.9-94.370.3000111.8Y69 A137 T186 R187 A188 V192 H193 Q194 V258 M260Y69-L190 HydrophobicContact CD2-CD2 4.03Å; Y69-L190 HydrophobicContact CE1-CD2 4.3Å; Y69-L190 HydrophobicContact CE2-CD2 3.28Å; Y69-L190 VanDerWaalsContact CZ-CD2 3.45Å; A137-L190 HydrophobicContact CB-CD1 4.03Å; T186-L190 VanDerWaalsContact O-CD1 3.24Å; T186-L190 WeakPolarHBondContact O-CD1 3.36Å; T186-L190 PolarHBondContact O-N 3.09Å; R187-L190 PolarHBondContact O-N 3.37Å; A188-L190 VanDerWaalsContact C-N 3.33Å; A188-L190 PolarHBondContact O-N 3.28Å; L190-V192 VanDerWaalsContact C-N 3.29Å; L190-V192 PolarHBondContact O-N 2.83Å; L190-H193 CarbonylContact O-C 3.56Å; L190-H193 WeakPolarHBondContact O-CB 3.39Å; L190-H193 PolarHBondContact O-N 3.4Å; L190-H193 VanDerWaalsContact O-N 3.12Å; L190-Q194 VanDerWaalsContact O-CG 3.28Å; L190-Q194 WeakPolarHBondContact O-CG 3.3Å; L190-Q194 PolarHBondContact O-N 2.68Å; L190-V258 HydrophobicContact CD2-CG2 4.06Å; L190-M260 HydrophobicContact CD1-CE 3.82Å; L190-M260 HydrophobicContact CG-CE 4.38Å
191T96.5Very high95.7Very high6 Ų645.6 Ų45.64%0.03726%0.264CS..Hα-helixtrans-61.1-39.5175.5-54.20000111.4R187 A188 Q194 A195 M200 I203 S204R187-T191 PolarHBondContact O-N 2.61Å; R187-T191 PolarHBondContact O-OG1 3.49Å; A188-T191 PolarHBondContact O-N 2.78Å; T191-Q194 PolarHBondContact O-N 3.1Å; T191-A195 PolarHBondContact O-N 3.41Å; T191-A195 VanDerWaalsContact O-N 3.09Å; T191-M200 HydrophobicContact CG2-CB 4.36Å; T191-M200 HydrophobicContact CG2-CE 4.15Å; T191-M200 HydrophobicContact CG2-CG 3.4Å; T191-M200 WeakPolarHBondContact CG2-O 3.22Å; T191-I203 HydrophobicContact CG2-CB 3.99Å; T191-I203 HydrophobicContact CG2-CG2 3.79Å; T191-S204 VanDerWaalsContact CG2-OG 3.23Å; T191-S204 WeakPolarHBondContact CG2-OG 3.39Å
192V95.4Very high95.7Very high57 Ų5745.8 Ų45.835%0.34526%0.264SS..Hα-helixtrans-59-48.5172.3176.10000110.2A188 A189 L190 Q194 A195 M200A188-V192 WeakPolarHBondContact O-CG2 3.06Å; A188-V192 PolarHBondContact O-N 3.3Å; A189-V192 PolarHBondContact O-N 3.22Å; L190-V192 VanDerWaalsContact C-N 3.29Å; L190-V192 PolarHBondContact O-N 2.83Å; V192-Q194 VanDerWaalsContact C-N 3.28Å; V192-Q194 PolarHBondContact O-N 3.09Å; V192-A195 PolarHBondContact O-N 3.12Å; V192-M200 HydrophobicContact CB-CE 4.3Å; V192-M200 HydrophobicContact CG2-CE 3.23Å; V192-M200 HydrophobicContact CG2-SD 3.97Å
193H95.4Very high95.8Very high22 Ų2245.9 Ų45.910%0.10227%0.265CS..Hα-helixtrans-59.9-37.8177.5168.171.4000112.9D65 A189 L190 A195 R196 V259 M260D65-H193 IonicContact OD1-CD2 3.43Å; D65-H193 IonicContact OD1-NE2 3.7Å; D65-H193 IonicContact OD2-CD2 3.1Å; D65-H193 IonicContact OD2-CE1 3.95Å; D65-H193 IonicContact OD2-NE2 2.85Å; D65-H193 PolarHBondContact OD2-NE2 3.11Å; A189-H193 PolarHBondContact O-N 2.92Å; A189-H193 VanDerWaalsContact O-N 3.12Å; L190-H193 CarbonylContact O-C 3.56Å; L190-H193 WeakPolarHBondContact O-CB 3.39Å; L190-H193 PolarHBondContact O-N 3.4Å; L190-H193 VanDerWaalsContact O-N 3.12Å; H193-A195 VanDerWaalsContact C-N 3.33Å; H193-R196 PolarHBondContact O-NE 3.48Å; H193-V259 PolarHBondContact CE1-O 2.91Å; H193-M260 HydrophobicContact CB-CE 4.19Å
194Q97.4Very high95.8Very high4 Ų446.6 Ų46.62%0.01927%0.266CS..Hα-helixtrans-71.3-27.2179.7-69.5-60.2-16.100112.6V62 S63 D65 Y66 L190 T191 V192 R196 I203V62-Q194 CarbonylContact C-O 3.53Å; V62-Q194 WeakPolarHBondContact CA-O 3.4Å; S63-Q194 PolarHBondContact N-O 3.12Å; S63-Q194 VanDerWaalsContact OG-CD 3.29Å; S63-Q194 PolarHBondContact OG-NE2 3.2Å; S63-Q194 PolarHBondContact OG-OE1 2.93Å; D65-Q194 PolarHBondContact OD1-NE2 3.33Å; Y66-Q194 VanDerWaalsContact CB-OE1 3.23Å; Y66-Q194 HydrophobicContact CD2-CB 4.27Å; Y66-Q194 HydrophobicContact CD2-CG 3.98Å; L190-Q194 VanDerWaalsContact O-CG 3.28Å; L190-Q194 WeakPolarHBondContact O-CG 3.3Å; L190-Q194 PolarHBondContact O-N 2.68Å; T191-Q194 PolarHBondContact O-N 3.1Å; V192-Q194 VanDerWaalsContact C-N 3.28Å; V192-Q194 PolarHBondContact O-N 3.09Å; Q194-R196 PolarHBondContact O-N 3.4Å; Q194-I203 HydrophobicContact CB-CD1 3.99Å; Q194-I203 HydrophobicContact CB-CG2 4.14Å
195A97.1Very high95.9Very high23 Ų2347.3 Ų47.319%0.1927%0.267CS..BIsolated β-bridgetrans-73.6122.6-176.600000112.4T191 V192 H193 N199 M200 I203T191-A195 PolarHBondContact O-N 3.41Å; T191-A195 VanDerWaalsContact O-N 3.09Å; V192-A195 PolarHBondContact O-N 3.12Å; H193-A195 VanDerWaalsContact C-N 3.33Å; A195-N199 WeakPolarHBondContact CA-OD1 3.45Å; A195-M200 HydrophobicContact CB-CB 4.39Å; A195-I203 HydrophobicContact CB-CD1 3.79Å
196R96Very high96Very high94 Ų9447.7 Ų47.736%0.35526%0.263SS..SBendtrans-115.8-3.2176.4-56.3-59.1172.3153.17.3114.1S61 V62 S63 H193 Q194 N199 E261S61-R196 PolarHBondContact O-N 3.12Å; V62-R196 WeakPolarHBondContact O-CG 3.35Å; S63-R196 VanDerWaalsContact CB-NH2 3.32Å; H193-R196 PolarHBondContact O-NE 3.48Å; Q194-R196 PolarHBondContact O-N 3.4Å; R196-N199 PolarHBondContact N-OD1 3.42Å; R196-E261 IonicContact CZ-OE1 2.89Å; R196-E261 IonicContact CZ-OE2 3.32Å; R196-E261 VanDerWaalsContact NH1-CD 3.31Å; R196-E261 IonicContact NH1-OE1 3.63Å; R196-E261 PolarHBondContact NH1-OE1 2.91Å; R196-E261 IonicContact NH1-OE2 3.85Å; R196-E261 PolarHBondContact NH1-OE2 3.39Å; R196-E261 IonicContact NH2-OE1 3.95Å; R196-E261 PolarHBondContact NH2-OE1 3.46Å; R196-E261 IonicContact NH2-OE2 2.68Å
197R94.7Very high95.9Very high132 Ų13248.1 Ų48.150%0.49827%0.266SS..SBendtrans-13938.4178.5-63.4-175.9-177.9176.9-1.4112E60 N199E60-R197 VanDerWaalsContact CB-NH2 3.29Å; R197-N199 PolarHBondContact N-OD1 3.38Å; R197-N199 VanDerWaalsContact N-OD1 3.12Å; R197-N199 PolarHBondContact O-N 3.02Å
198D94.6Very high95.9Very high170 Ų17045.2 Ų45.291%0.90926%0.261SS*.SBendtrans51.731.3-174.8-56.9-46.6000113.1M200D198-M200 PolarHBondContact O-N 3.4Å
199N96.1Very high95.8Very high22 Ų2245.5 Ų45.512%0.11826%0.26CS..  trans-100.230.8-17161.6-43.3000112.8S61 A195 R196 R197 A201 D202 I203S61-N199 WeakPolarHBondContact CB-ND2 3.39Å; S61-N199 PolarHBondContact O-ND2 3.09Å; S61-N199 PolarHBondContact O-OD1 2.92Å; S61-N199 VanDerWaalsContact O-OD1 3.1Å; A195-N199 WeakPolarHBondContact CA-OD1 3.45Å; R196-N199 PolarHBondContact N-OD1 3.42Å; R197-N199 PolarHBondContact N-OD1 3.38Å; R197-N199 VanDerWaalsContact N-OD1 3.12Å; R197-N199 PolarHBondContact O-N 3.02Å; N199-A201 VanDerWaalsContact C-N 3.27Å; N199-A201 PolarHBondContact O-N 3.23Å; N199-D202 PolarHBondContact O-N 2.87Å; N199-I203 WeakPolarHBondContact O-CG1 3.26Å; N199-I203 PolarHBondContact O-N 3.07Å
200M96.3Very high95.8Very high71 Ų7146 Ų4635%0.3526%0.26SS..Hα-helixtrans-56.3-39.4-176.3-171.3-174.5-164.200113A188 T191 V192 A195 D198 S204A188-M200 WeakPolarHBondContact O-CE 3.25Å; T191-M200 HydrophobicContact CG2-CB 4.36Å; T191-M200 HydrophobicContact CG2-CE 4.15Å; T191-M200 HydrophobicContact CG2-CG 3.4Å; T191-M200 WeakPolarHBondContact CG2-O 3.22Å; V192-M200 HydrophobicContact CB-CE 4.3Å; V192-M200 HydrophobicContact CG2-CE 3.23Å; V192-M200 HydrophobicContact CG2-SD 3.97Å; A195-M200 HydrophobicContact CB-CB 4.39Å; D198-M200 PolarHBondContact O-N 3.4Å; M200-S204 WeakPolarHBondContact O-CB 3.48Å; M200-S204 PolarHBondContact O-N 2.81Å; M200-S204 PolarHBondContact O-OG 3.24Å
201A97.1Very high95.7Very high81 Ų8149.5 Ų49.567%0.66928%0.276SS*.Hα-helixtrans-65.8-43.2179.300000112.3N199 S204 A205N199-A201 VanDerWaalsContact C-N 3.27Å; N199-A201 PolarHBondContact O-N 3.23Å; A201-S204 PolarHBondContact O-N 3.38Å; A201-A205 WeakPolarHBondContact O-CB 3.34Å; A201-A205 PolarHBondContact O-N 2.76Å
202D97Very high95.7Very high42 Ų4253.8 Ų53.823%0.22530%0.303CS..Hα-helixtrans-65.2-45.8177-178.939.7000110.6P55 Q56 N199 S204 A205 K206P55-D202 VanDerWaalsContact CA-OD2 3.28Å; P55-D202 WeakPolarHBondContact CA-OD2 3.49Å; P55-D202 WeakPolarHBondContact CB-OD2 3.39Å; Q56-D202 PolarHBondContact N-OD2 2.93Å; N199-D202 PolarHBondContact O-N 2.87Å; D202-S204 VanDerWaalsContact C-N 3.29Å; D202-S204 PolarHBondContact O-N 2.98Å; D202-A205 PolarHBondContact O-N 3.42Å; D202-A205 VanDerWaalsContact O-N 3.15Å; D202-K206 WeakPolarHBondContact O-CB 3.11Å; D202-K206 WeakPolarHBondContact O-CG 2.92Å; D202-K206 PolarHBondContact O-N 3.31Å; D202-K206 WeakPolarHBondContact OD1-CE 3.22Å
203I97.1Very high95.7Very high2 Ų254.7 Ų54.71%0.0131%0.305CS..Hα-helixtrans-55.3-46.5173.9-65167.2000110.8P55 V62 Y66 T191 Q194 A195 N199 A205 K206 D207P55-I203 HydrophobicContact CB-CG1 4.12Å; P55-I203 HydrophobicContact CG-CB 4.45Å; P55-I203 HydrophobicContact CG-CG1 3.8Å; V62-I203 HydrophobicContact CG1-CD1 4.1Å; V62-I203 HydrophobicContact CG1-CG1 4.12Å; Y66-I203 HydrophobicContact CE2-CG2 4.18Å; T191-I203 HydrophobicContact CG2-CB 3.99Å; T191-I203 HydrophobicContact CG2-CG2 3.79Å; Q194-I203 HydrophobicContact CB-CD1 3.99Å; Q194-I203 HydrophobicContact CB-CG2 4.14Å; A195-I203 HydrophobicContact CB-CD1 3.79Å; N199-I203 WeakPolarHBondContact O-CG1 3.26Å; N199-I203 PolarHBondContact O-N 3.07Å; I203-A205 PolarHBondContact O-N 3.48Å; I203-K206 PolarHBondContact O-N 2.96Å; I203-D207 WeakPolarHBondContact O-CB 3.41Å; I203-D207 PolarHBondContact O-N 2.63Å
204S96.4Very high95.6Very high40 Ų4054.3 Ų54.328%0.2831%0.305SS..Hα-helixtrans-63.3-39.3179.7-57.60000112.7T191 M200 A201 D202 G208T191-S204 VanDerWaalsContact CG2-OG 3.23Å; T191-S204 WeakPolarHBondContact CG2-OG 3.39Å; M200-S204 WeakPolarHBondContact O-CB 3.48Å; M200-S204 PolarHBondContact O-N 2.81Å; M200-S204 PolarHBondContact O-OG 3.24Å; A201-S204 PolarHBondContact O-N 3.38Å; D202-S204 VanDerWaalsContact C-N 3.29Å; D202-S204 PolarHBondContact O-N 2.98Å; S204-G208 PolarHBondContact O-N 2.96Å
205A96.4Very high95.4Very high57 Ų5757.1 Ų57.147%0.47132%0.319SS..Hα-helixtrans-68.8-39.6177.900000111.9A201 D202 I203 S209A201-A205 WeakPolarHBondContact O-CB 3.34Å; A201-A205 PolarHBondContact O-N 2.76Å; D202-A205 PolarHBondContact O-N 3.42Å; D202-A205 VanDerWaalsContact O-N 3.15Å; I203-A205 PolarHBondContact O-N 3.48Å; A205-S209 PolarHBondContact O-N 3.41Å; A205-S209 PolarHBondContact O-OG 2.68Å
206K95.7Very high95.3Very high39 Ų3960.7 Ų60.717%0.1734%0.335CS..Hα-helixtrans-69.7-43.9177.4-65.1-63.7174.3-175.60112.1S51 V52 F53 L54 P55 D202 I203 S209 Q210S51-K206 PolarHBondContact O-NZ 3.32Å; V52-K206 WeakPolarHBondContact O-CD 3.37Å; V52-K206 PolarHBondContact O-NZ 3.33Å; F53-K206 WeakPolarHBondContact O-CB 3.48Å; L54-K206 WeakPolarHBondContact O-CD 3.3Å; L54-K206 WeakPolarHBondContact O-CE 3.31Å; P55-K206 HydrophobicContact CG-CB 4.3Å; P55-K206 HydrophobicContact CG-CG 4.26Å; D202-K206 WeakPolarHBondContact O-CB 3.11Å; D202-K206 WeakPolarHBondContact O-CG 2.92Å; D202-K206 PolarHBondContact O-N 3.31Å; D202-K206 WeakPolarHBondContact OD1-CE 3.22Å; I203-K206 PolarHBondContact O-N 2.96Å; K206-S209 WeakPolarHBondContact O-CB 2.99Å; K206-S209 PolarHBondContact O-N 3.1Å; K206-S209 VanDerWaalsContact O-N 3.14Å; K206-Q210 WeakPolarHBondContact O-CG 3.28Å; K206-Q210 PolarHBondContact O-N 2.85Å
207D94Very high95.3Very high9 Ų958.2 Ų58.25%0.04833%0.334CS..Hα-helixtrans-55.7-49.9171.6-171.665.2000111Q70 R187 I203 S209 Q210 E211Q70-D207 PolarHBondContact NE2-OD1 3.08Å; R187-D207 WeakPolarHBondContact CD-OD2 3.42Å; R187-D207 IonicContact CZ-OD2 3.31Å; R187-D207 IonicContact NE-OD2 2.6Å; R187-D207 PolarHBondContact NE-OD2 3.43Å; R187-D207 IonicContact NH2-OD2 2.74Å; I203-D207 WeakPolarHBondContact O-CB 3.41Å; I203-D207 PolarHBondContact O-N 2.63Å; D207-S209 VanDerWaalsContact C-N 3.28Å; D207-S209 PolarHBondContact O-N 3.17Å; D207-Q210 WeakPolarHBondContact O-CB 3.29Å; D207-Q210 PolarHBondContact O-N 2.92Å; D207-Q210 VanDerWaalsContact O-N 3.12Å; D207-E211 PolarHBondContact O-N 3.4Å
208G94.4Very high95.4Very high19 Ų1951.9 Ų51.920%0.19631%0.311CS..Hα-helixtrans-61-33.2175.300000114S204 T212S204-G208 PolarHBondContact O-N 2.96Å; G208-T212 WeakPolarHBondContact O-CB 3.16Å; G208-T212 PolarHBondContact O-N 3.44Å; G208-T212 PolarHBondContact O-OG1 3.11Å
209S94.8Very high95.3Very high50 Ų5048.3 Ų48.335%0.3529%0.291SS..Hα-helixtrans-70.7-38.8174.8-58.80000112.1A205 K206 D207 T212 L213A205-S209 PolarHBondContact O-N 3.41Å; A205-S209 PolarHBondContact O-OG 2.68Å; K206-S209 WeakPolarHBondContact O-CB 2.99Å; K206-S209 PolarHBondContact O-N 3.1Å; K206-S209 VanDerWaalsContact O-N 3.14Å; D207-S209 VanDerWaalsContact C-N 3.28Å; D207-S209 PolarHBondContact O-N 3.17Å; S209-T212 PolarHBondContact O-N 3.45Å; S209-L213 PolarHBondContact O-N 3.34Å
210Q94.8Very high95.4Very high21 Ų2152 Ų5210%0.09831%0.31CS..Hα-helixtrans-63.9-49.2173.9-69.6175.753.200110.5F53 Y66 K206 D207 T212 L213 V214F53-Q210 HydrophobicContact CB-CG 4.07Å; F53-Q210 HydrophobicContact CD1-CG 3.94Å; F53-Q210 HydrophobicContact CG-CG 4.44Å; F53-Q210 PolarHBondContact O-NE2 3.21Å; Y66-Q210 PolarHBondContact OH-NE2 3.44Å; K206-Q210 WeakPolarHBondContact O-CG 3.28Å; K206-Q210 PolarHBondContact O-N 2.85Å; D207-Q210 WeakPolarHBondContact O-CB 3.29Å; D207-Q210 PolarHBondContact O-N 2.92Å; D207-Q210 VanDerWaalsContact O-N 3.12Å; Q210-T212 VanDerWaalsContact C-N 3.29Å; Q210-T212 PolarHBondContact O-N 2.98Å; Q210-L213 PolarHBondContact O-N 2.92Å; Q210-L213 VanDerWaalsContact O-N 3.16Å; Q210-V214 VanDerWaalsContact O-CG2 3.3Å; Q210-V214 WeakPolarHBondContact O-CG2 3.29Å; Q210-V214 PolarHBondContact O-N 2.94Å
211E93.3Very high95.4Very high78 Ų7851.6 Ų51.636%0.36431%0.311SS..Hα-helixtrans-55.9-43.3175.4-174.2179.3-178.300111.7R187 D207 V214 N215R187-E211 IonicContact CZ-OE2 3.53Å; R187-E211 IonicContact NH1-OE2 3.96Å; R187-E211 PolarHBondContact NH1-OE2 3.47Å; D207-E211 PolarHBondContact O-N 3.4Å; E211-V214 PolarHBondContact O-N 3.48Å; E211-N215 WeakPolarHBondContact O-CB 3.42Å; E211-N215 PolarHBondContact O-N 3.07Å; E211-N215 PolarHBondContact O-ND2 3.08Å
212T95.1Very high95.3Very high96 Ų9648 Ų4859%0.58928%0.281SS*.Hα-helixtrans-62.7-44.6177.3-59.90000112.1G208 S209 Q210 V214 N215 L216G208-T212 WeakPolarHBondContact O-CB 3.16Å; G208-T212 PolarHBondContact O-N 3.44Å; G208-T212 PolarHBondContact O-OG1 3.11Å; S209-T212 PolarHBondContact O-N 3.45Å; Q210-T212 VanDerWaalsContact C-N 3.29Å; Q210-T212 PolarHBondContact O-N 2.98Å; T212-V214 VanDerWaalsContact C-N 3.31Å; T212-V214 PolarHBondContact O-N 3.28Å; T212-N215 PolarHBondContact O-N 3.14Å; T212-L216 WeakPolarHBondContact O-CB 3.19Å; T212-L216 PolarHBondContact O-N 3.08Å
213L95.2Very high95.3Very high77 Ų7751.4 Ų51.440%0.40330%0.299SS..Hα-helixtrans-61.2-43177.1176.466000111.3F53 S209 Q210 L216 A217F53-L213 HydrophobicContact CE1-CB 4.01Å; F53-L213 HydrophobicContact CE1-CD2 3.81Å; F53-L213 HydrophobicContact CE1-CG 4.47Å; F53-L213 HydrophobicContact CE2-CD2 4.22Å; F53-L213 HydrophobicContact CZ-CB 4.39Å; F53-L213 HydrophobicContact CZ-CD2 3.63Å; F53-L213 HydrophobicContact CZ-CG 4.42Å; S209-L213 PolarHBondContact O-N 3.34Å; Q210-L213 PolarHBondContact O-N 2.92Å; Q210-L213 VanDerWaalsContact O-N 3.16Å; L213-L216 WeakPolarHBondContact O-CB 3.34Å; L213-L216 PolarHBondContact O-N 3.37Å; L213-A217 PolarHBondContact O-N 2.84Å
214V95.1Very high95.1Very high14 Ų1457.7 Ų57.79%0.08533%0.332CS..Hα-helixtrans-65.5-43.8179.4174.10000111.2T74 A77 F78 Q210 E211 T212 L216 A217 G218T74-V214 HydrophobicContact CG2-CG2 3.43Å; T74-V214 VanDerWaalsContact CG2-CG2 3.43Å; A77-V214 HydrophobicContact CB-CG1 4.01Å; F78-V214 HydrophobicContact CB-CG1 3.67Å; F78-V214 HydrophobicContact CD2-CG1 4.44Å; Q210-V214 VanDerWaalsContact O-CG2 3.3Å; Q210-V214 WeakPolarHBondContact O-CG2 3.29Å; Q210-V214 PolarHBondContact O-N 2.94Å; E211-V214 PolarHBondContact O-N 3.48Å; T212-V214 VanDerWaalsContact C-N 3.31Å; T212-V214 PolarHBondContact O-N 3.28Å; V214-L216 VanDerWaalsContact C-N 3.31Å; V214-L216 PolarHBondContact O-N 3.2Å; V214-A217 WeakPolarHBondContact O-CB 3.28Å; V214-A217 PolarHBondContact O-N 3.02Å; V214-G218 PolarHBondContact O-N 2.79Å
215N93.2Very high95Very high62 Ų6257 Ų5733%0.33233%0.325SS..Hα-helixtrans-63.1-36.3175.2-78.2-38000112.4S81 E211 T212 G218 L219S81-N215 PolarHBondContact OG-OD1 3.24Å; E211-N215 WeakPolarHBondContact O-CB 3.42Å; E211-N215 PolarHBondContact O-N 3.07Å; E211-N215 PolarHBondContact O-ND2 3.08Å; T212-N215 PolarHBondContact O-N 3.14Å; N215-G218 PolarHBondContact O-N 3.33Å; N215-L219 WeakPolarHBondContact O-CB 3.17Å; N215-L219 PolarHBondContact O-N 2.85Å
216L94.6Very high94.9Very high98 Ų9856.5 Ų56.551%0.51331%0.314SS..Hα-helixtrans-63-44.5173.1178.462.3000111.5T212 L213 V214 L219 L220T212-L216 WeakPolarHBondContact O-CB 3.19Å; T212-L216 PolarHBondContact O-N 3.08Å; L213-L216 WeakPolarHBondContact O-CB 3.34Å; L213-L216 PolarHBondContact O-N 3.37Å; V214-L216 VanDerWaalsContact C-N 3.31Å; V214-L216 PolarHBondContact O-N 3.2Å; L216-L219 PolarHBondContact O-N 3.15Å; L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 2.88Å; L216-L220 VanDerWaalsContact O-N 3.1Å
217A96.2Very high94.8Very high42 Ų4258.9 Ų58.935%0.34733%0.333SS..Hα-helixtrans-62.6-43.9174.800000111.7F78 L213 V214 L219 L220 V221F78-A217 HydrophobicContact CE2-CB 4.38Å; L213-A217 PolarHBondContact O-N 2.84Å; V214-A217 WeakPolarHBondContact O-CB 3.28Å; V214-A217 PolarHBondContact O-N 3.02Å; A217-L219 VanDerWaalsContact C-N 3.33Å; A217-L219 PolarHBondContact O-N 3.37Å; A217-L220 PolarHBondContact O-N 3.25Å; A217-V221 WeakPolarHBondContact O-CG2 3.25Å; A217-V221 PolarHBondContact O-N 2.87Å; A217-V221 VanDerWaalsContact O-N 3.1Å
218G96.1Very high94.7Very high0 Ų064 Ų640%036%0.36CS..Hα-helixtrans-57-45.5174.400000111.9L82 V214 N215 L220 V221 S222L82-G218 WeakPolarHBondContact CD2-O 3.23Å; V214-G218 PolarHBondContact O-N 2.79Å; N215-G218 PolarHBondContact O-N 3.33Å; G218-L220 PolarHBondContact O-N 2.76Å; G218-V221 PolarHBondContact O-N 3.45Å; G218-S222 WeakPolarHBondContact O-CB 3.28Å; G218-S222 PolarHBondContact O-N 3.2Å; G218-S222 PolarHBondContact O-OG 2.72Å
219L93.6Very high94.7Very high95 Ų9563.1 Ų63.150%0.49735%0.351SS..Hα-helixtrans-59.2-46.5176.9-177.2150.5000112.1N215 L216 A217 V221 S222 L223N215-L219 WeakPolarHBondContact O-CB 3.17Å; N215-L219 PolarHBondContact O-N 2.85Å; L216-L219 PolarHBondContact O-N 3.15Å; A217-L219 VanDerWaalsContact C-N 3.33Å; A217-L219 PolarHBondContact O-N 3.37Å; L219-V221 VanDerWaalsContact C-N 3.32Å; L219-V221 PolarHBondContact O-N 2.89Å; L219-S222 WeakPolarHBondContact O-CB 3.39Å; L219-S222 PolarHBondContact O-N 2.79Å; L219-L223 HydrophobicContact CD2-CD1 3.74Å; L219-L223 HydrophobicContact CD2-CG 4.19Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 2.86Å
220L96.7Very high94.4Very high100 Ų10063.7 Ų63.752%0.52435%0.353SS..Hα-helixtrans-61.1-41.5178.6-68.8173.7000111.9L216 A217 G218 L223L216-L220 WeakPolarHBondContact O-CG 3.39Å; L216-L220 PolarHBondContact O-N 2.88Å; L216-L220 VanDerWaalsContact O-N 3.1Å; A217-L220 PolarHBondContact O-N 3.25Å; G218-L220 PolarHBondContact O-N 2.76Å; L220-L223 PolarHBondContact O-N 2.85Å
221V97Very high94.1Very high61 Ų6168.1 Ų68.137%0.3738%0.377SS..Hα-helixtrans-67.5-43175.7173.40000110.8F78 L82 A217 G218 L219 L223 L224 L225F78-V221 HydrophobicContact CE2-CG2 4.29Å; F78-V221 HydrophobicContact CZ-CB 4.42Å; F78-V221 HydrophobicContact CZ-CG2 4.06Å; L82-V221 HydrophobicContact CD1-CG1 4.26Å; L82-V221 HydrophobicContact CD2-CB 3.97Å; L82-V221 HydrophobicContact CD2-CG1 3.75Å; A217-V221 WeakPolarHBondContact O-CG2 3.25Å; A217-V221 PolarHBondContact O-N 2.87Å; A217-V221 VanDerWaalsContact O-N 3.1Å; G218-V221 PolarHBondContact O-N 3.45Å; L219-V221 VanDerWaalsContact C-N 3.32Å; L219-V221 PolarHBondContact O-N 2.89Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.35Å; V221-L224 PolarHBondContact O-N 3.09Å; V221-L224 VanDerWaalsContact O-N 3.1Å; V221-L225 WeakPolarHBondContact O-CB 3.48Å; V221-L225 PolarHBondContact O-N 3.38Å
222S95.8Very high94.1Very high5 Ų567.5 Ų67.54%0.03538%0.376CS..Hα-helixtrans-59.4-37.9176.4-75.80000112.9L82 T85 G218 L219 L224 L225 I226L82-S222 WeakPolarHBondContact CD2-OG 3.44Å; T85-S222 VanDerWaalsContact CB-OG 3.31Å; T85-S222 WeakPolarHBondContact CB-OG 3.39Å; T85-S222 WeakPolarHBondContact CG2-OG 3.09Å; T85-S222 PolarHBondContact OG1-OG 3.41Å; G218-S222 WeakPolarHBondContact O-CB 3.28Å; G218-S222 PolarHBondContact O-N 3.2Å; G218-S222 PolarHBondContact O-OG 2.72Å; L219-S222 WeakPolarHBondContact O-CB 3.39Å; L219-S222 PolarHBondContact O-N 2.79Å; S222-L224 PolarHBondContact O-N 2.75Å; S222-L225 PolarHBondContact O-N 3Å; S222-L225 VanDerWaalsContact O-N 3.09Å; S222-I226 VanDerWaalsContact O-CG1 3.27Å; S222-I226 WeakPolarHBondContact O-CG1 3.45Å; S222-I226 PolarHBondContact O-N 3.12Å
223L95.1Very high93.9Very high114 Ų11466.5 Ų66.560%0.59737%0.371SS*.Hα-helixtrans-60.2-34.7175.8-74.2173.5000112.6L219 L220 V221 P227L219-L223 HydrophobicContact CD2-CD1 3.74Å; L219-L223 HydrophobicContact CD2-CG 4.19Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 2.86Å; L220-L223 PolarHBondContact O-N 2.85Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.35Å; L223-P227 VanDerWaalsContact O-CD 3.31Å; L223-P227 WeakPolarHBondContact O-CD 3.39Å
224L94.7Very high93.9Very high134 Ų13468 Ų6870%0.70238%0.383SS*.Hα-helixtrans-79.6-31.2174.8-58.7176000111.9V221 S222V221-L224 PolarHBondContact O-N 3.09Å; V221-L224 VanDerWaalsContact O-N 3.1Å; S222-L224 PolarHBondContact O-N 2.75Å
225L93.4Very high93.9Very high25 Ų2570 Ų7013%0.13139%0.393CS..Hα-helixtrans-75.2-43.6-176.3-167.663.3000112.9L86 V221 S222 L228 V229 L239 F243L86-L225 HydrophobicContact CD2-CD2 4.17Å; V221-L225 WeakPolarHBondContact O-CB 3.48Å; V221-L225 PolarHBondContact O-N 3.38Å; S222-L225 PolarHBondContact O-N 3Å; S222-L225 VanDerWaalsContact O-N 3.09Å; L225-L228 WeakPolarHBondContact O-CB 3.49Å; L225-L228 PolarHBondContact O-N 2.89Å; L225-V229 HydrophobicContact CD1-CG1 4.22Å; L225-V229 HydrophobicContact CG-CG1 4.07Å; L225-V229 PolarHBondContact O-N 3.1Å; L225-L239 HydrophobicContact CD1-CD1 3.69Å; L225-L239 HydrophobicContact CD2-CD1 4.43Å; L225-L239 HydrophobicContact CG-CD1 4.35Å; L225-F243 HydrophobicContact CD2-CE2 4.01Å; L225-F243 HydrophobicContact CD2-CZ 4.29Å
226I93.4Very high94.1Very high47 Ų4767.9 Ų67.924%0.24138%0.383CS..Hα-helixtrans-52.9-47.9-172.8-75.1-69.1000113.1T85 Q89 S222 L228 V229 T230T85-I226 HydrophobicContact CG2-CD1 3.69Å; T85-I226 HydrophobicContact CG2-CG1 3.9Å; Q89-I226 HydrophobicContact CB-CD1 3.93Å; Q89-I226 HydrophobicContact CG-CD1 4.12Å; S222-I226 VanDerWaalsContact O-CG1 3.27Å; S222-I226 WeakPolarHBondContact O-CG1 3.45Å; S222-I226 PolarHBondContact O-N 3.12Å; I226-L228 PolarHBondContact O-N 3.02Å; I226-V229 HydrophobicContact CD1-CG2 4.44Å; I226-V229 WeakPolarHBondContact O-CG2 3.45Å; I226-V229 PolarHBondContact O-N 2.95Å; I226-T230 PolarHBondContact O-N 2.82Å; I226-T230 PolarHBondContact O-OG1 3.49Å
227P93.8Very high94.1Very high89 Ų8965.4 Ų65.458%0.57837%0.371SS*.Hα-helixtrans-60.9-30.3178.2-24.535000113.8L223L223-P227 VanDerWaalsContact O-CD 3.31Å; L223-P227 WeakPolarHBondContact O-CD 3.39Å
228L92.9Very high94.2Very high116 Ų11666.5 Ų66.561%0.60738%0.377SS*.Hα-helixtrans-77.1-35.3-178.6-56176.1000112.3L225 I226 L235L225-L228 WeakPolarHBondContact O-CB 3.49Å; L225-L228 PolarHBondContact O-N 2.89Å; I226-L228 PolarHBondContact O-N 3.02Å; L228-L235 HydrophobicContact CB-CD2 4.34Å; L228-L235 WeakPolarHBondContact O-CD2 3.35Å
229V93.1Very high94.3Very high2 Ų267.8 Ų67.81%0.01238%0.383CS..Hα-helixtrans-89-16.4-177.6-59.30000113.2L86 Q89 L225 I226 D231 N232 L235 T236 L239L86-V229 HydrophobicContact CD2-CB 4.31Å; L86-V229 HydrophobicContact CD2-CG1 4.15Å; L86-V229 HydrophobicContact CD2-CG2 3.84Å; Q89-V229 VanDerWaalsContact OE1-CG2 3.31Å; L225-V229 HydrophobicContact CD1-CG1 4.22Å; L225-V229 HydrophobicContact CG-CG1 4.07Å; L225-V229 PolarHBondContact O-N 3.1Å; I226-V229 HydrophobicContact CD1-CG2 4.44Å; I226-V229 WeakPolarHBondContact O-CG2 3.45Å; I226-V229 PolarHBondContact O-N 2.95Å; V229-D231 PolarHBondContact O-N 3.44Å; V229-N232 PolarHBondContact O-N 3.48Å; V229-L235 HydrophobicContact CG1-CD2 4.05Å; V229-L235 HydrophobicContact CG1-CG 4.12Å; V229-T236 PolarHBondContact O-OG1 3.45Å; V229-L239 HydrophobicContact CG1-CD1 3.52Å
230T89.6Confident94.5Very high62 Ų6263.5 Ų63.538%0.3836%0.36SS..THydrogen-bonded Turntrans-58.4126.3176.9-60.10000109.6Q89 I226 N232Q89-T230 PolarHBondContact NE2-OG1 3.28Å; I226-T230 PolarHBondContact O-N 2.82Å; I226-T230 PolarHBondContact O-OG1 3.49Å; T230-N232 PolarHBondContact O-N 3.21Å; T230-N232 VanDerWaalsContact O-N 3.13Å
231D87.6Confident94.6Very high113 Ų11363.6 Ų63.660%0.60436%0.357SS*.THydrogen-bonded Turntrans58.618.1-175.8-60.2-47000116R93 V229 P233R93-D231 IonicContact CZ-OD1 3.41Å; R93-D231 IonicContact NH1-OD1 2.74Å; R93-D231 PolarHBondContact NH1-OD1 3.38Å; R93-D231 IonicContact NH2-OD1 3.3Å; R93-D231 PolarHBondContact NH2-OD1 2.94Å; V229-D231 PolarHBondContact O-N 3.44Å; D231-P233 WeakPolarHBondContact O-CD 3.2Å
232N93.9Very high94.6Very high66 Ų6665.8 Ų65.835%0.35337%0.366SS..  trans-120.578.9173.8-167.2-22.4000111.2V229 T230 V234 L235 T236V229-N232 PolarHBondContact O-N 3.48Å; T230-N232 PolarHBondContact O-N 3.21Å; T230-N232 VanDerWaalsContact O-N 3.13Å; N232-V234 PolarHBondContact O-N 3.12Å; N232-L235 HydrophobicContact CB-CB 4.03Å; N232-L235 PolarHBondContact O-N 3.35Å; N232-L235 WeakPolarHBondContact OD1-CB 3.46Å; N232-L235 PolarHBondContact OD1-N 2.91Å; N232-T236 PolarHBondContact O-N 3.35Å; N232-T236 PolarHBondContact O-OG1 3.18Å; N232-T236 VanDerWaalsContact O-OG1 3.09Å
233P91.8Very high94.7Very high75 Ų7566.7 Ų66.749%0.48737%0.369SS..Hα-helixtrans-62.5-32.1-175.424.9-34000112.7D231 T236 V237D231-P233 WeakPolarHBondContact O-CD 3.2Å; P233-T236 PolarHBondContact O-N 2.96Å; P233-V237 WeakPolarHBondContact O-CB 3.28Å; P233-V237 VanDerWaalsContact O-CG2 3.3Å; P233-V237 WeakPolarHBondContact O-CG2 3.48Å; P233-V237 PolarHBondContact O-N 3.44Å
234V94.9Very high94.9Very high107 Ų10762.2 Ų62.265%0.64835%0.347SS*.Hα-helixtrans-64.7-47.1177.2177.90000110.3N232 S238N232-V234 PolarHBondContact O-N 3.12Å; V234-S238 VanDerWaalsContact O-CB 3.25Å; V234-S238 WeakPolarHBondContact O-CB 3.18Å; V234-S238 PolarHBondContact O-N 2.84Å; V234-S238 PolarHBondContact O-OG 2.87Å
235L95.6Very high95.1Very high58 Ų5860.7 Ų60.730%0.30434%0.343SS..Hα-helixtrans-64.9-44.2177-17762.7000111.4L228 V229 N232 V237 S238 L239L228-L235 HydrophobicContact CB-CD2 4.34Å; L228-L235 WeakPolarHBondContact O-CD2 3.35Å; V229-L235 HydrophobicContact CG1-CD2 4.05Å; V229-L235 HydrophobicContact CG1-CG 4.12Å; N232-L235 HydrophobicContact CB-CB 4.03Å; N232-L235 PolarHBondContact O-N 3.35Å; N232-L235 WeakPolarHBondContact OD1-CB 3.46Å; N232-L235 PolarHBondContact OD1-N 2.91Å; L235-V237 PolarHBondContact O-N 2.81Å; L235-S238 PolarHBondContact O-N 3.33Å; L235-L239 HydrophobicContact CD1-CD1 3.9Å; L235-L239 HydrophobicContact CD1-CG 3.97Å; L235-L239 HydrophobicContact CD2-CD1 4.46Å; L235-L239 HydrophobicContact CG-CD1 3.79Å; L235-L239 HydrophobicContact CG-CG 4.29Å; L235-L239 WeakPolarHBondContact O-CB 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.41Å; L235-L239 PolarHBondContact O-N 3.45Å
236T95.8Very high95.3Very high17 Ų1762.3 Ų62.310%0.10435%0.351CS..Hα-helixtrans-55.2-51.5176.5-59.40000111.7L86 I156 V229 N232 P233 F240L86-T236 HydrophobicContact CB-CG2 4.37Å; L86-T236 HydrophobicContact CD2-CG2 4.44Å; I156-T236 HydrophobicContact CG2-CG2 4.21Å; V229-T236 PolarHBondContact O-OG1 3.45Å; N232-T236 PolarHBondContact O-N 3.35Å; N232-T236 PolarHBondContact O-OG1 3.18Å; N232-T236 VanDerWaalsContact O-OG1 3.09Å; P233-T236 PolarHBondContact O-N 2.96Å; T236-F240 VanDerWaalsContact O-CB 3.28Å; T236-F240 WeakPolarHBondContact O-CB 3.43Å; T236-F240 PolarHBondContact O-N 3.39Å
237V96.1Very high95.5Very high45 Ų4560.1 Ų60.127%0.27334%0.34SS..Hα-helixtrans-67.5-39.8-179.2172.10000111.1I156 P233 L235 F240 F241I156-V237 HydrophobicContact CG2-CG2 4.42Å; P233-V237 WeakPolarHBondContact O-CB 3.28Å; P233-V237 VanDerWaalsContact O-CG2 3.3Å; P233-V237 WeakPolarHBondContact O-CG2 3.48Å; P233-V237 PolarHBondContact O-N 3.44Å; L235-V237 PolarHBondContact O-N 2.81Å; V237-F240 PolarHBondContact O-N 2.9Å; V237-F241 HydrophobicContact CG1-CD2 3.6Å; V237-F241 HydrophobicContact CG1-CE2 3.4Å; V237-F241 WeakPolarHBondContact O-CD2 3.22Å; V237-F241 PolarHBondContact O-N 3.07Å
238S97.3Very high95.7Very high66 Ų6658.3 Ų58.346%0.46233%0.325SS..Hα-helixtrans-63.1-45.9178.1-59.40000112V234 L235 F241 L242V234-S238 VanDerWaalsContact O-CB 3.25Å; V234-S238 WeakPolarHBondContact O-CB 3.18Å; V234-S238 PolarHBondContact O-N 2.84Å; V234-S238 PolarHBondContact O-OG 2.87Å; L235-S238 PolarHBondContact O-N 3.33Å; S238-F241 PolarHBondContact O-N 3Å; S238-L242 WeakPolarHBondContact O-CB 3.45Å; S238-L242 PolarHBondContact O-N 3.19Å
239L97.4Very high96Very high27 Ų2757.6 Ų57.614%0.14132%0.317CS..Hα-helixtrans-66.9-40.9176.4-72.3170.6000111.8L86 L225 V229 L235 F241 L242 F243L86-L239 HydrophobicContact CD1-CB 4.17Å; L225-L239 HydrophobicContact CD1-CD1 3.69Å; L225-L239 HydrophobicContact CD2-CD1 4.43Å; L225-L239 HydrophobicContact CG-CD1 4.35Å; V229-L239 HydrophobicContact CG1-CD1 3.52Å; L235-L239 HydrophobicContact CD1-CD1 3.9Å; L235-L239 HydrophobicContact CD1-CG 3.97Å; L235-L239 HydrophobicContact CD2-CD1 4.46Å; L235-L239 HydrophobicContact CG-CD1 3.79Å; L235-L239 HydrophobicContact CG-CG 4.29Å; L235-L239 WeakPolarHBondContact O-CB 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.41Å; L235-L239 PolarHBondContact O-N 3.45Å; L239-F241 PolarHBondContact O-N 3.29Å; L239-L242 HydrophobicContact CD2-CD2 4.45Å; L239-L242 WeakPolarHBondContact O-CB 3.31Å; L239-L242 PolarHBondContact O-N 2.89Å; L239-F243 HydrophobicContact CB-CD2 4.44Å; L239-F243 HydrophobicContact CB-CE2 3.98Å; L239-F243 HydrophobicContact CB-CZ 4.46Å; L239-F243 HydrophobicContact CD2-CZ 4.23Å; L239-F243 WeakPolarHBondContact O-CD2 3.49Å; L239-F243 VanDerWaalsContact O-CG 3.25Å; L239-F243 WeakPolarHBondContact O-CG 3.3Å; L239-F243 PolarHBondContact O-N 3.48Å
240F98.1Very high96.3Very high4 Ų457.5 Ų57.52%0.01832%0.317CS..Hα-helixtrans-56.7-50.5174.9175.9-99.5000111.1L86 D149 M152 F153 I156 T236 V237 L242 F243 T244L86-F240 HydrophobicContact CD1-CB 4.13Å; D149-F240 WeakPolarHBondContact O-CZ 3.19Å; M152-F240 HydrophobicContact CB-CE2 3.75Å; M152-F240 HydrophobicContact CB-CZ 4.2Å; M152-F240 HydrophobicContact CE-CE2 4.45Å; F153-F240 HydrophobicContact CB-CE1 3.61Å; F153-F240 HydrophobicContact CB-CZ 3.69Å; F153-F240 AromaticContact CD2-CD1 3.75Å; F153-F240 HydrophobicContact CD2-CD1 3.75Å; F153-F240 AromaticContact CD2-CE1 3.5Å; F153-F240 HydrophobicContact CD2-CE1 3.5Å; F153-F240 VanDerWaalsContact CD2-CE1 3.5Å; F153-F240 HydrophobicContact CD2-CZ 4.34Å; F153-F240 HydrophobicContact CE2-CD1 4.45Å; F153-F240 HydrophobicContact CE2-CE1 4.49Å; F153-F240 AromaticContact CG-CE1 3.88Å; F153-F240 HydrophobicContact CG-CE1 3.88Å; F153-F240 HydrophobicContact CG-CZ 4.45Å; I156-F240 HydrophobicContact CD1-CB 3.9Å; I156-F240 HydrophobicContact CD1-CD1 4.22Å; I156-F240 HydrophobicContact CD1-CD2 3.24Å; I156-F240 HydrophobicContact CD1-CE2 3.78Å; I156-F240 HydrophobicContact CD1-CG 3.49Å; I156-F240 VanDerWaalsContact CD1-CG 3.49Å; I156-F240 HydrophobicContact CD1-CZ 4.47Å; T236-F240 VanDerWaalsContact O-CB 3.28Å; T236-F240 WeakPolarHBondContact O-CB 3.43Å; T236-F240 PolarHBondContact O-N 3.39Å; V237-F240 PolarHBondContact O-N 2.9Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.24Å; F240-F243 PolarHBondContact O-N 3.49Å; F240-T244 WeakPolarHBondContact CZ-OG1 3.37Å; F240-T244 WeakPolarHBondContact O-CB 3.36Å; F240-T244 PolarHBondContact O-N 3.47Å; F240-T244 PolarHBondContact O-OG1 3.43Å; F240-T244 VanDerWaalsContact O-OG1 3.07Å
241F98.4Very high96.6Very high103 Ų10354.5 Ų54.545%0.45230%0.299SS..Hα-helixtrans-63.2-38.1177.5-78.9-62.1000113F153 V237 S238 L239 T244 V245F153-F241 HydrophobicContact CE2-CE2 4.19Å; F153-F241 AromaticContact CE2-CZ 3.9Å; F153-F241 HydrophobicContact CE2-CZ 3.9Å; F153-F241 HydrophobicContact CZ-CE2 4.5Å; F153-F241 AromaticContact CZ-CZ 3.97Å; F153-F241 HydrophobicContact CZ-CZ 3.97Å; V237-F241 HydrophobicContact CG1-CD2 3.6Å; V237-F241 HydrophobicContact CG1-CE2 3.4Å; V237-F241 WeakPolarHBondContact O-CD2 3.22Å; V237-F241 PolarHBondContact O-N 3.07Å; S238-F241 PolarHBondContact O-N 3Å; L239-F241 PolarHBondContact O-N 3.29Å; F241-T244 PolarHBondContact O-N 2.98Å; F241-V245 WeakPolarHBondContact O-CG2 3.43Å; F241-V245 PolarHBondContact O-N 3.42Å
242L98.2Very high97.1Very high106 Ų10653.1 Ų53.156%0.55529%0.285SS*.Hα-helixtrans-58.8-49.3173.7175.365000111.3S238 L239 F240 V245 L246S238-L242 WeakPolarHBondContact O-CB 3.45Å; S238-L242 PolarHBondContact O-N 3.19Å; L239-L242 HydrophobicContact CD2-CD2 4.45Å; L239-L242 WeakPolarHBondContact O-CB 3.31Å; L239-L242 PolarHBondContact O-N 2.89Å; F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L242 PolarHBondContact O-N 3.24Å; L242-V245 PolarHBondContact O-N 3.19Å; L242-L246 PolarHBondContact O-N 3.04Å; L242-L246 VanDerWaalsContact O-N 3.09Å
243F98.3Very high97.4Very high25 Ų2553.8 Ų53.811%0.1129%0.285CS..Hα-helixtrans-67.9-36.7179-61.3-35.2000112.2L82 S83 L86 L225 L239 F240 L246 H247L82-F243 HydrophobicContact CB-CD2 3.77Å; L82-F243 HydrophobicContact CB-CE2 3.7Å; L82-F243 HydrophobicContact CB-CG 4.27Å; L82-F243 HydrophobicContact CB-CZ 4.14Å; L82-F243 HydrophobicContact CD1-CD1 4.15Å; L82-F243 HydrophobicContact CD1-CE1 3.63Å; L82-F243 HydrophobicContact CD1-CE2 4.05Å; L82-F243 HydrophobicContact CD1-CZ 3.58Å; L82-F243 HydrophobicContact CG-CZ 4.49Å; S83-F243 VanDerWaalsContact OG-CB 3.27Å; S83-F243 WeakPolarHBondContact OG-CB 3.15Å; L86-F243 HydrophobicContact CD1-CD2 4.26Å; L86-F243 HydrophobicContact CD1-CE2 4.28Å; L225-F243 HydrophobicContact CD2-CE2 4.01Å; L225-F243 HydrophobicContact CD2-CZ 4.29Å; L239-F243 HydrophobicContact CB-CD2 4.44Å; L239-F243 HydrophobicContact CB-CE2 3.98Å; L239-F243 HydrophobicContact CB-CZ 4.46Å; L239-F243 HydrophobicContact CD2-CZ 4.23Å; L239-F243 WeakPolarHBondContact O-CD2 3.49Å; L239-F243 VanDerWaalsContact O-CG 3.25Å; L239-F243 WeakPolarHBondContact O-CG 3.3Å; L239-F243 PolarHBondContact O-N 3.48Å; F240-F243 PolarHBondContact O-N 3.49Å; F243-L246 PolarHBondContact O-N 2.96Å; F243-H247 WeakPolarHBondContact O-CB 3.38Å; F243-H247 PolarHBondContact O-N 3.19Å
244T98.4Very high97.6Very high19 Ų1950.2 Ų50.212%0.11726%0.262CS..Hα-helixtrans-61.3-43.8173.2-66.10000111.8D149 F240 F241 L246 H247 L248D149-T244 HydrophobicContact CB-CG2 4.05Å; F240-T244 WeakPolarHBondContact CZ-OG1 3.37Å; F240-T244 WeakPolarHBondContact O-CB 3.36Å; F240-T244 PolarHBondContact O-N 3.47Å; F240-T244 PolarHBondContact O-OG1 3.43Å; F240-T244 VanDerWaalsContact O-OG1 3.07Å; F241-T244 PolarHBondContact O-N 2.98Å; T244-L246 VanDerWaalsContact C-N 3.34Å; T244-L246 PolarHBondContact O-N 3.01Å; T244-H247 PolarHBondContact O-N 3.26Å; T244-L248 HydrophobicContact CG2-CD1 4.01Å; T244-L248 HydrophobicContact CG2-CG 4.39Å; T244-L248 WeakPolarHBondContact O-CB 3.32Å; T244-L248 WeakPolarHBondContact O-CG 3.45Å; T244-L248 PolarHBondContact O-N 2.74Å
245V98.5Very high97.7Very high102 Ų10245.2 Ų45.262%0.61823%0.231SC*.Hα-helixtrans-61.8-45.1175.9170.10000110.7F241 L242 F249F241-V245 WeakPolarHBondContact O-CG2 3.43Å; F241-V245 PolarHBondContact O-N 3.42Å; L242-V245 PolarHBondContact O-N 3.19Å; V245-F249 WeakPolarHBondContact O-CB 3.27Å; V245-F249 PolarHBondContact O-N 3.34Å
246L98.4Very high97.8Very high60 Ų6045.1 Ų45.131%0.31423%0.227SC..Hα-helixtrans-63.5-44.8177.6-174.660.2000111.9L75 S79 L242 F243 T244 F249 A250L75-L246 HydrophobicContact CD1-CD1 4.26Å; L75-L246 HydrophobicContact CD1-CD2 4.1Å; L75-L246 HydrophobicContact CD1-CG 4.31Å; L75-L246 HydrophobicContact CD2-CD1 3.94Å; L75-L246 HydrophobicContact CG-CD1 4.16Å; L75-L246 HydrophobicContact CG-CG 4.32Å; S79-L246 VanDerWaalsContact OG-CD2 3.23Å; S79-L246 WeakPolarHBondContact OG-CD2 3.38Å; S79-L246 VanDerWaalsContact OG-CG 3.28Å; S79-L246 WeakPolarHBondContact OG-CG 3.23Å; L242-L246 PolarHBondContact O-N 3.04Å; L242-L246 VanDerWaalsContact O-N 3.09Å; F243-L246 PolarHBondContact O-N 2.96Å; T244-L246 VanDerWaalsContact C-N 3.34Å; T244-L246 PolarHBondContact O-N 3.01Å; L246-F249 PolarHBondContact O-N 3.02Å; L246-A250 WeakPolarHBondContact O-CB 3.04Å; L246-A250 PolarHBondContact O-N 2.86Å
247H98.4Very high97.8Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-57.3-55.2178.4177.3-125.8000111.6Q76 D145 D149 F243 T244 A250 N251Q76-H247 PolarHBondContact NE2-NE2 2.98Å; Q76-H247 PolarHBondContact O-CD2 2.88Å; D145-H247 VanDerWaalsContact CB-CE1 3.48Å; D145-H247 WeakPolarHBondContact CB-CE1 3.47Å; D145-H247 VanDerWaalsContact CG-CE1 3.46Å; D145-H247 IonicContact OD1-CE1 3.7Å; D145-H247 IonicContact OD1-NE2 3.34Å; D145-H247 IonicContact OD2-CE1 2.69Å; D145-H247 IonicContact OD2-NE2 3.91Å; D145-H247 PolarHBondContact OD2-NE2 2.64Å; D149-H247 VanDerWaalsContact CG-ND1 3.32Å; D149-H247 IonicContact OD1-CE1 2.78Å; D149-H247 IonicContact OD1-ND1 3.64Å; D149-H247 PolarHBondContact OD1-ND1 2.95Å; D149-H247 VanDerWaalsContact OD1-ND1 3.1Å; D149-H247 IonicContact OD2-CE1 3.07Å; D149-H247 IonicContact OD2-CG 3.5Å; D149-H247 IonicContact OD2-ND1 3.96Å; D149-H247 PolarHBondContact OD2-ND1 3.47Å; F243-H247 WeakPolarHBondContact O-CB 3.38Å; F243-H247 PolarHBondContact O-N 3.19Å; T244-H247 PolarHBondContact O-N 3.26Å; H247-A250 PolarHBondContact O-N 3.48Å; H247-N251 PolarHBondContact O-N 3.23Å
248L97.9Very high97.9Very high52 Ų5242.5 Ų42.527%0.27221%0.212SC..Hα-helixtrans-68.9-37-178.5-65.3-179.6000112.5D145 V146 D149 T244 Y252D145-L248 HydrophobicContact CB-CD2 4.16Å; V146-L248 HydrophobicContact CG2-CD1 4.29Å; V146-L248 HydrophobicContact CG2-CD2 3.68Å; D149-L248 VanDerWaalsContact OD2-CD2 3.31Å; D149-L248 WeakPolarHBondContact OD2-CD2 3.22Å; D149-L248 WeakPolarHBondContact OD2-CG 3.49Å; T244-L248 HydrophobicContact CG2-CD1 4.01Å; T244-L248 HydrophobicContact CG2-CG 4.39Å; T244-L248 WeakPolarHBondContact O-CB 3.32Å; T244-L248 WeakPolarHBondContact O-CG 3.45Å; T244-L248 PolarHBondContact O-N 2.74Å; L248-Y252 WeakPolarHBondContact O-CB 3.28Å; L248-Y252 PolarHBondContact O-N 3.39Å
249F98.5Very high97.9Very high100 Ų10040.7 Ų40.744%0.43920%0.198SC..Hα-helixtrans-64.7-44.5174.7176.3-102.3000111.7W72 V245 L246 Y252 K253W72-F249 HydrophobicContact CH2-CE1 4.02Å; W72-F249 HydrophobicContact CZ3-CD1 4.3Å; W72-F249 AromaticContact CZ3-CE1 3.84Å; W72-F249 HydrophobicContact CZ3-CE1 3.84Å; V245-F249 WeakPolarHBondContact O-CB 3.27Å; V245-F249 PolarHBondContact O-N 3.34Å; L246-F249 PolarHBondContact O-N 3.02Å; F249-Y252 PolarHBondContact O-N 3.15Å; F249-K253 HydrophobicContact CD1-CG 4.48Å; F249-K253 HydrophobicContact CE1-CG 4.07Å; F249-K253 HydrophobicContact CE2-CG 4.24Å; F249-K253 HydrophobicContact CZ-CD 4.34Å; F249-K253 VanDerWaalsContact CZ-CE 3.42Å; F249-K253 HydrophobicContact CZ-CG 3.95Å; F249-K253 WeakPolarHBondContact O-CG 3.4Å; F249-K253 PolarHBondContact O-N 3.48Å
250A98.4Very high97.8Very high0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-62.7-46.817700000111W72 L75 Q76 L246 H247 Y252 K253 A254W72-A250 HydrophobicContact CE3-CB 4.33Å; L75-A250 HydrophobicContact CB-CB 4.11Å; L75-A250 HydrophobicContact CD2-CB 4.11Å; L75-A250 HydrophobicContact CG-CB 4.03Å; Q76-A250 HydrophobicContact CB-CB 3.83Å; L246-A250 WeakPolarHBondContact O-CB 3.04Å; L246-A250 PolarHBondContact O-N 2.86Å; H247-A250 PolarHBondContact O-N 3.48Å; A250-Y252 VanDerWaalsContact C-N 3.33Å; A250-Y252 PolarHBondContact O-N 2.81Å; A250-K253 PolarHBondContact O-N 2.99Å; A250-K253 VanDerWaalsContact O-N 3.16Å; A250-A254 WeakPolarHBondContact O-CB 3.5Å; A250-A254 PolarHBondContact O-N 2.93Å
251N97.7Very high97.7Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-60.2-43.9175.3-165.54.2000111.6Q76 R141 L142 D145 H247 K253 A254 V255Q76-N251 HydrophobicContact CG-CB 3.82Å; R141-N251 PolarHBondContact O-ND2 3.37Å; R141-N251 VanDerWaalsContact O-ND2 3.17Å; L142-N251 HydrophobicContact CD2-CB 3.82Å; D145-N251 WeakPolarHBondContact CB-ND2 3.4Å; D145-N251 WeakPolarHBondContact OD2-CB 3.45Å; D145-N251 PolarHBondContact OD2-ND2 2.95Å; H247-N251 PolarHBondContact O-N 3.23Å; N251-K253 VanDerWaalsContact C-N 3.28Å; N251-K253 PolarHBondContact O-N 2.94Å; N251-A254 WeakPolarHBondContact O-CB 3.45Å; N251-A254 PolarHBondContact O-N 3.47Å; N251-A254 VanDerWaalsContact O-N 3.1Å; N251-V255 WeakPolarHBondContact O-CG2 3.46Å; N251-V255 PolarHBondContact O-N 2.75Å; N251-V255 WeakPolarHBondContact OD1-CG1 3.5Å
252Y98.1Very high97.6Very high84 Ų8439 Ų3933%0.32919%0.192SC..Hα-helixtrans-56.8-45.2176.7173.6-98.2000111L142 L248 F249 A250 R256 V293 F294L142-Y252 HydrophobicContact CD1-CD2 4.39Å; L248-Y252 WeakPolarHBondContact O-CB 3.28Å; L248-Y252 PolarHBondContact O-N 3.39Å; F249-Y252 PolarHBondContact O-N 3.15Å; A250-Y252 VanDerWaalsContact C-N 3.33Å; A250-Y252 PolarHBondContact O-N 2.81Å; Y252-R256 HydrophobicContact CD1-CG 4.42Å; Y252-R256 HydrophobicContact CD2-CG 4.16Å; Y252-R256 HydrophobicContact CE1-CG 4.12Å; Y252-R256 HydrophobicContact CE2-CG 3.85Å; Y252-R256 HydrophobicContact CG-CG 4.43Å; Y252-R256 VanDerWaalsContact O-CB 3.25Å; Y252-R256 WeakPolarHBondContact O-CB 3.4Å; Y252-R256 WeakPolarHBondContact O-CG 3.39Å; Y252-R256 PolarHBondContact O-N 3.37Å; Y252-R256 VanDerWaalsContact O-N 3.17Å; Y252-V293 HydrophobicContact CD2-CG2 3.97Å; Y252-V293 HydrophobicContact CE2-CG2 3.79Å; Y252-F294 HydrophobicContact CD2-CE2 4.35Å; Y252-F294 HydrophobicContact CD2-CZ 4.06Å; Y252-F294 HydrophobicContact CE2-CE2 4.16Å; Y252-F294 HydrophobicContact CE2-CZ 4.31Å
253K98.3Very high97.5Very high80 Ų8034 Ų3435%0.34817%0.166SC..Hα-helixtrans-66.1-38.7175.9-70.4-68.9-173.4177.50112.8W72 F249 A250 N251 R256 S257W72-K253 HydrophobicContact CB-CB 4.33Å; W72-K253 HydrophobicContact CD2-CB 3.3Å; W72-K253 HydrophobicContact CD2-CG 4.06Å; W72-K253 VanDerWaalsContact CE2-CB 3.46Å; W72-K253 HydrophobicContact CE3-CB 3.68Å; W72-K253 HydrophobicContact CE3-CG 4.1Å; W72-K253 HydrophobicContact CG-CB 3.58Å; W72-K253 HydrophobicContact CH2-CB 4.31Å; W72-K253 HydrophobicContact CH2-CG 3.98Å; W72-K253 HydrophobicContact CZ2-CB 3.99Å; W72-K253 HydrophobicContact CZ2-CD 4.23Å; W72-K253 HydrophobicContact CZ2-CG 3.94Å; W72-K253 HydrophobicContact CZ3-CB 4.16Å; W72-K253 HydrophobicContact CZ3-CG 4.06Å; F249-K253 HydrophobicContact CD1-CG 4.48Å; F249-K253 HydrophobicContact CE1-CG 4.07Å; F249-K253 HydrophobicContact CE2-CG 4.24Å; F249-K253 HydrophobicContact CZ-CD 4.34Å; F249-K253 VanDerWaalsContact CZ-CE 3.42Å; F249-K253 HydrophobicContact CZ-CG 3.95Å; F249-K253 WeakPolarHBondContact O-CG 3.4Å; F249-K253 PolarHBondContact O-N 3.48Å; A250-K253 PolarHBondContact O-N 2.99Å; A250-K253 VanDerWaalsContact O-N 3.16Å; N251-K253 VanDerWaalsContact C-N 3.28Å; N251-K253 PolarHBondContact O-N 2.94Å; K253-R256 PolarHBondContact O-N 3.23Å; K253-S257 PolarHBondContact O-N 3.41Å; K253-S257 VanDerWaalsContact O-N 3.09Å
254A97.6Very high97.3Very high0 Ų032.9 Ų32.90%016%0.161CC..Hα-helixtrans-61.5-54.8177.200000111.6Y69 W72 A250 N251 R256 S257 V258Y69-A254 HydrophobicContact CD2-CB 3.98Å; Y69-A254 HydrophobicContact CE2-CB 4.11Å; W72-A254 HydrophobicContact CB-CB 3.61Å; A250-A254 WeakPolarHBondContact O-CB 3.5Å; A250-A254 PolarHBondContact O-N 2.93Å; N251-A254 WeakPolarHBondContact O-CB 3.45Å; N251-A254 PolarHBondContact O-N 3.47Å; N251-A254 VanDerWaalsContact O-N 3.1Å; A254-R256 PolarHBondContact O-N 3.33Å; A254-S257 PolarHBondContact O-N 2.89Å; A254-S257 VanDerWaalsContact O-N 3.14Å; A254-S257 PolarHBondContact O-OG 3.43Å; A254-V258 PolarHBondContact O-N 2.99Å
255V96.6Very high97Very high1 Ų135.2 Ų35.21%0.00617%0.171CC..Hα-helixtrans-67.4-26.4-178.2-60.10000112.7K138 R141 L142 N251 V293K138-V255 HydrophobicContact CB-CB 4.14Å; K138-V255 WeakPolarHBondContact CD-O 3.32Å; K138-V255 WeakPolarHBondContact CE-O 3.23Å; K138-V255 HydrophobicContact CG-CB 4.21Å; R141-V255 HydrophobicContact CB-CG1 3.89Å; L142-V255 HydrophobicContact CD1-CG2 3.64Å; L142-V255 HydrophobicContact CD2-CG2 4.36Å; L142-V255 HydrophobicContact CG-CG2 3.87Å; N251-V255 WeakPolarHBondContact O-CG2 3.46Å; N251-V255 PolarHBondContact O-N 2.75Å; N251-V255 WeakPolarHBondContact OD1-CG1 3.5Å; V255-V293 HydrophobicContact CG2-CB 4.14Å; V255-V293 HydrophobicContact CG2-CG1 4.17Å; V255-V293 HydrophobicContact CG2-CG2 4.45Å
256R96.6Very high96.7Very high56 Ų5631.1 Ų31.121%0.21115%0.147CC..Hα-helixtrans-76.2-24.5176.1-68.7-67.5-64.4162.91.5113Y252 K253 A254 N288 Q289 E291 V293Y252-R256 HydrophobicContact CD1-CG 4.42Å; Y252-R256 HydrophobicContact CD2-CG 4.16Å; Y252-R256 HydrophobicContact CE1-CG 4.12Å; Y252-R256 HydrophobicContact CE2-CG 3.85Å; Y252-R256 HydrophobicContact CG-CG 4.43Å; Y252-R256 VanDerWaalsContact O-CB 3.25Å; Y252-R256 WeakPolarHBondContact O-CB 3.4Å; Y252-R256 WeakPolarHBondContact O-CG 3.39Å; Y252-R256 PolarHBondContact O-N 3.37Å; Y252-R256 VanDerWaalsContact O-N 3.17Å; K253-R256 PolarHBondContact O-N 3.23Å; A254-R256 PolarHBondContact O-N 3.33Å; R256-N288 PolarHBondContact NH1-O 3.46Å; R256-N288 PolarHBondContact O-ND2 3.31Å; R256-Q289 VanDerWaalsContact NH2-C 3.31Å; R256-Q289 VanDerWaalsContact NH2-CA 3.35Å; R256-Q289 PolarHBondContact NH2-O 2.88Å; R256-E291 PolarHBondContact NH1-O 3.12Å; R256-V293 HydrophobicContact CG-CG1 4.47Å
257S97.3Very high96.5Very high8 Ų828.4 Ų28.46%0.05613%0.133CC..Hα-helixtrans-78.3-26.4174.963.40000113.1D65 Q68 Y69 K253 A254 V259D65-S257 WeakPolarHBondContact CB-O 3.36Å; Q68-S257 VanDerWaalsContact CD-CB 3.41Å; Y69-S257 WeakPolarHBondContact CA-OG 3.34Å; Y69-S257 PolarHBondContact N-OG 3.39Å; K253-S257 PolarHBondContact O-N 3.41Å; K253-S257 VanDerWaalsContact O-N 3.09Å; A254-S257 PolarHBondContact O-N 2.89Å; A254-S257 VanDerWaalsContact O-N 3.14Å; A254-S257 PolarHBondContact O-OG 3.43Å; S257-V259 PolarHBondContact O-N 3.37Å
258V97.6Very high96.4Very high0 Ų028.5 Ų28.50%013%0.134CC..  trans-67.7120179.2-178.30000110.4Y69 K138 L190 A254 M260 N288Y69-V258 HydrophobicContact CD2-CG2 3.44Å; Y69-V258 VanDerWaalsContact CD2-CG2 3.44Å; Y69-V258 HydrophobicContact CE2-CG2 4.14Å; Y69-V258 HydrophobicContact CG-CG2 4.03Å; K138-V258 WeakPolarHBondContact CE-O 3.47Å; K138-V258 PolarHBondContact NZ-O 3.41Å; L190-V258 HydrophobicContact CD2-CG2 4.06Å; A254-V258 PolarHBondContact O-N 2.99Å; V258-M260 HydrophobicContact CG1-CE 4.44Å; V258-M260 HydrophobicContact CG1-CG 3.91Å; V258-N288 PolarHBondContact O-OD1 3.03Å
259V97.6Very high96.2Very high27 Ų2727.4 Ų27.416%0.16413%0.131CC..  trans-109.485-179.8-175.60000109.5D65 H193 S257 P284 N288D65-V259 PolarHBondContact OD2-N 3.49Å; H193-V259 PolarHBondContact CE1-O 2.91Å; S257-V259 PolarHBondContact O-N 3.37Å; V259-P284 VanDerWaalsContact CG1-C 3.48Å; V259-P284 HydrophobicContact CG1-CB 3.73Å; V259-N288 HydrophobicContact CG1-CB 4.33Å; V259-N288 HydrophobicContact CG2-CB 4.4Å
260M96Very high96.1Very high8 Ų823.9 Ų23.94%0.03912%0.116CC..  trans-72.8132.3179.8-68.3-175.7158.300112.3A137 L190 H193 V258A137-M260 HydrophobicContact CB-CE 4.38Å; L190-M260 HydrophobicContact CD1-CE 3.82Å; L190-M260 HydrophobicContact CG-CE 4.38Å; H193-M260 HydrophobicContact CB-CE 4.19Å; V258-M260 HydrophobicContact CG1-CE 4.44Å; V258-M260 HydrophobicContact CG1-CG 3.91Å
261E96Very high96Very high68 Ų6823.9 Ų23.932%0.31812%0.116SC..  trans-89.6-10.7-177.6-69151.4-151.800113.8R196 P284 W406 D407R196-E261 IonicContact CZ-OE1 2.89Å; R196-E261 IonicContact CZ-OE2 3.32Å; R196-E261 VanDerWaalsContact NH1-CD 3.31Å; R196-E261 IonicContact NH1-OE1 3.63Å; R196-E261 PolarHBondContact NH1-OE1 2.91Å; R196-E261 IonicContact NH1-OE2 3.85Å; R196-E261 PolarHBondContact NH1-OE2 3.39Å; R196-E261 IonicContact NH2-OE1 3.95Å; R196-E261 PolarHBondContact NH2-OE1 3.46Å; R196-E261 IonicContact NH2-OE2 2.68Å; E261-P284 HydrophobicContact CG-CB 4.43Å; E261-P284 HydrophobicContact CG-CG 4.25Å; E261-W406 VanDerWaalsContact O-CE3 3.25Å; E261-D407 PolarHBondContact O-N 3.26Å
262T95.7Very high95.9Very high22 Ų2224 Ų2414%0.13512%0.117CC..SBendtrans-78.3170.2175.853.30000111.4R267 W406 D407 L412T262-R267 PolarHBondContact O-NH1 2.85Å; T262-R267 PolarHBondContact OG1-NH1 2.97Å; T262-W406 WeakPolarHBondContact O-CZ3 3.24Å; T262-D407 HydrophobicContact CG2-CB 4.29Å; T262-L412 WeakPolarHBondContact OG1-CD1 3.38Å
263F95.7Very high95.7Very high1 Ų124 Ų240%0.00412%0.12CC..BIsolated β-bridgetrans-99.7129169.3-80.4-62.6000112.2R267 L268 V271 V401 W406 L412 L413F263-R267 HydrophobicContact CD1-CB 4.01Å; F263-R267 HydrophobicContact CE1-CB 4.44Å; F263-L268 HydrophobicContact CB-CB 4.35Å; F263-L268 HydrophobicContact CD1-CB 3.72Å; F263-L268 HydrophobicContact CD1-CD1 3.85Å; F263-L268 HydrophobicContact CD1-CG 4.41Å; F263-L268 HydrophobicContact CD2-CD1 4.16Å; F263-L268 HydrophobicContact CE1-CB 4.35Å; F263-L268 HydrophobicContact CE1-CD1 4.01Å; F263-L268 HydrophobicContact CE2-CD1 4.3Å; F263-L268 HydrophobicContact CG-CB 4.19Å; F263-L268 HydrophobicContact CG-CD1 3.94Å; F263-L268 HydrophobicContact CZ-CD1 4.24Å; F263-V271 HydrophobicContact CE1-CB 4.35Å; F263-V271 HydrophobicContact CE1-CG2 4.05Å; F263-V401 HydrophobicContact CE2-CG1 3.55Å; F263-V401 HydrophobicContact CZ-CG1 3.33Å; F263-W406 AromaticContact CD1-CE3 3.94Å; F263-W406 HydrophobicContact CD1-CE3 3.94Å; F263-W406 AromaticContact CD1-CZ3 3.93Å; F263-W406 HydrophobicContact CD1-CZ3 3.93Å; F263-W406 HydrophobicContact CD2-CE3 4.36Å; F263-W406 AromaticContact CE1-CD2 3.72Å; F263-W406 HydrophobicContact CE1-CD2 3.72Å; F263-W406 AromaticContact CE1-CE3 3.45Å; F263-W406 HydrophobicContact CE1-CE3 3.45Å; F263-W406 VanDerWaalsContact CE1-CE3 3.45Å; F263-W406 HydrophobicContact CE1-CG 4.49Å; F263-W406 AromaticContact CE1-CH2 3.93Å; F263-W406 HydrophobicContact CE1-CH2 3.93Å; F263-W406 HydrophobicContact CE1-CZ2 4.13Å; F263-W406 AromaticContact CE1-CZ3 3.59Å; F263-W406 HydrophobicContact CE1-CZ3 3.59Å; F263-W406 HydrophobicContact CE2-CB 3.9Å; F263-W406 AromaticContact CE2-CD2 3.95Å; F263-W406 HydrophobicContact CE2-CD2 3.95Å; F263-W406 AromaticContact CE2-CE3 3.92Å; F263-W406 HydrophobicContact CE2-CE3 3.92Å; F263-W406 AromaticContact CE2-CG 3.97Å; F263-W406 HydrophobicContact CE2-CG 3.97Å; F263-W406 HydrophobicContact CG-CE3 4.36Å; F263-W406 HydrophobicContact CZ-CB 4.09Å; F263-W406 AromaticContact CZ-CD2 3.31Å; F263-W406 HydrophobicContact CZ-CD2 3.31Å; F263-W406 AromaticContact CZ-CE2 3.83Å; F263-W406 AromaticContact CZ-CE3 3.42Å; F263-W406 HydrophobicContact CZ-CE3 3.42Å; F263-W406 VanDerWaalsContact CZ-CE3 3.42Å; F263-W406 AromaticContact CZ-CG 3.63Å; F263-W406 HydrophobicContact CZ-CG 3.63Å; F263-W406 HydrophobicContact CZ-CZ2 4.39Å; F263-W406 HydrophobicContact CZ-CZ3 4.06Å; F263-L412 CarbonylContact O-C 3.56Å; F263-L412 WeakPolarHBondContact O-CA 3.47Å; F263-L412 PolarHBondContact O-N 3.19Å; F263-L413 HydrophobicContact CB-CD2 4.48Å
264N93.9Very high95.6Very high2 Ų221.2 Ų21.21%0.01111%0.108CC..  trans-104.9178.3150.566.46.2000109.5S135 A266 R267 L268 E291 L412S135-N264 WeakPolarHBondContact O-CB 3.33Å; S135-N264 PolarHBondContact O-ND2 3.05Å; N264-A266 VanDerWaalsContact C-N 3.32Å; N264-A266 PolarHBondContact O-N 3.26Å; N264-A266 PolarHBondContact OD1-N 3.31Å; N264-R267 VanDerWaalsContact CG-NH2 3.33Å; N264-R267 PolarHBondContact ND2-NE 2.98Å; N264-R267 PolarHBondContact ND2-NH2 3.43Å; N264-R267 PolarHBondContact O-N 2.85Å; N264-R267 VanDerWaalsContact OD1-CB 3.27Å; N264-R267 WeakPolarHBondContact OD1-CB 3.38Å; N264-R267 VanDerWaalsContact OD1-CG 3.32Å; N264-R267 WeakPolarHBondContact OD1-CG 3.16Å; N264-R267 PolarHBondContact OD1-N 2.88Å; N264-R267 PolarHBondContact OD1-NE 2.69Å; N264-L268 WeakPolarHBondContact O-CB 3.25Å; N264-L268 PolarHBondContact O-N 3.23Å; N264-E291 PolarHBondContact ND2-OE1 3Å; N264-L412 WeakPolarHBondContact CA-O 3.35Å
265E92.1Very high95.5Very high68 Ų6822 Ų2232%0.31811%0.111SC..Hα-helixtrans-56-45.6-178.5-172.4-178.6172.200112S269 M356E265-S269 VanDerWaalsContact O-CB 3.26Å; E265-S269 WeakPolarHBondContact O-CB 3.16Å; E265-S269 PolarHBondContact O-N 2.78Å; E265-M356 HydrophobicContact CB-CE 4.46Å; E265-M356 HydrophobicContact CG-CE 4.04Å
266A92.4Very high95.3Very high16 Ų1624.7 Ų24.713%0.13213%0.125CC..Hα-helixtrans-66.6-49-177.900000112.7N264 L268 S269 I270 P292N264-A266 VanDerWaalsContact C-N 3.32Å; N264-A266 PolarHBondContact O-N 3.26Å; N264-A266 PolarHBondContact OD1-N 3.31Å; A266-L268 VanDerWaalsContact C-N 3.33Å; A266-L268 PolarHBondContact O-N 3.04Å; A266-S269 PolarHBondContact O-N 2.98Å; A266-I270 WeakPolarHBondContact O-CB 3.46Å; A266-I270 WeakPolarHBondContact O-CD1 3.41Å; A266-I270 VanDerWaalsContact O-CG1 3.24Å; A266-I270 WeakPolarHBondContact O-CG1 3.41Å; A266-I270 PolarHBondContact O-N 2.96Å; A266-P292 HydrophobicContact CB-CG 4.12Å
267R95.3Very high95.1Very high3 Ų330.3 Ų30.31%0.01115%0.151CC..Hα-helixtrans-59.8-44.9178.4-76.2174.1-85.3159.5-4.6110.7T262 F263 N264 I270 V271 E291 W406T262-R267 PolarHBondContact O-NH1 2.85Å; T262-R267 PolarHBondContact OG1-NH1 2.97Å; F263-R267 HydrophobicContact CD1-CB 4.01Å; F263-R267 HydrophobicContact CE1-CB 4.44Å; N264-R267 VanDerWaalsContact CG-NH2 3.33Å; N264-R267 PolarHBondContact ND2-NE 2.98Å; N264-R267 PolarHBondContact ND2-NH2 3.43Å; N264-R267 PolarHBondContact O-N 2.85Å; N264-R267 VanDerWaalsContact OD1-CB 3.27Å; N264-R267 WeakPolarHBondContact OD1-CB 3.38Å; N264-R267 VanDerWaalsContact OD1-CG 3.32Å; N264-R267 WeakPolarHBondContact OD1-CG 3.16Å; N264-R267 PolarHBondContact OD1-N 2.88Å; N264-R267 PolarHBondContact OD1-NE 2.69Å; R267-I270 PolarHBondContact O-N 3.27Å; R267-V271 VanDerWaalsContact O-CG2 3.29Å; R267-V271 WeakPolarHBondContact O-CG2 3.28Å; R267-V271 PolarHBondContact O-N 2.76Å; R267-V271 VanDerWaalsContact O-N 3.07Å; R267-E291 HydrophobicContact CG-CG 4.31Å; R267-E291 IonicContact NE-OE1 2.68Å; R267-E291 PolarHBondContact NE-OE1 3.27Å; R267-W406 HydrophobicContact CB-CH2 4.04Å; R267-W406 HydrophobicContact CB-CZ3 4.13Å; R267-W406 HydrophobicContact CG-CH2 4.25Å; R267-W406 HydrophobicContact CG-CZ3 4.42Å
268L95.7Very high95Very high2 Ų234 Ų341%0.0117%0.17CC..Hα-helixtrans-64.5-45.6179.8-173.866.4000111.4F263 N264 A266 I270 V271 M272 I353 M356 F397 L413F263-L268 HydrophobicContact CB-CB 4.35Å; F263-L268 HydrophobicContact CD1-CB 3.72Å; F263-L268 HydrophobicContact CD1-CD1 3.85Å; F263-L268 HydrophobicContact CD1-CG 4.41Å; F263-L268 HydrophobicContact CD2-CD1 4.16Å; F263-L268 HydrophobicContact CE1-CB 4.35Å; F263-L268 HydrophobicContact CE1-CD1 4.01Å; F263-L268 HydrophobicContact CE2-CD1 4.3Å; F263-L268 HydrophobicContact CG-CB 4.19Å; F263-L268 HydrophobicContact CG-CD1 3.94Å; F263-L268 HydrophobicContact CZ-CD1 4.24Å; N264-L268 WeakPolarHBondContact O-CB 3.25Å; N264-L268 PolarHBondContact O-N 3.23Å; A266-L268 VanDerWaalsContact C-N 3.33Å; A266-L268 PolarHBondContact O-N 3.04Å; L268-I270 PolarHBondContact O-N 3.12Å; L268-V271 PolarHBondContact O-N 2.86Å; L268-M272 WeakPolarHBondContact O-CB 3.27Å; L268-M272 PolarHBondContact O-N 3.1Å; L268-I353 HydrophobicContact CD1-CG2 4.13Å; L268-M356 HydrophobicContact CD2-CB 3.38Å; L268-F397 HydrophobicContact CD1-CZ 4.36Å; L268-L413 HydrophobicContact CD2-CD2 4.02Å
269S93.8Very high94.9Very high30 Ų3039.7 Ų39.721%0.2119%0.191CC..Hα-helixtrans-60.1-44.6177.9-172.60000111.9E265 A266 V271 M272 Q273E265-S269 VanDerWaalsContact O-CB 3.26Å; E265-S269 WeakPolarHBondContact O-CB 3.16Å; E265-S269 PolarHBondContact O-N 2.78Å; A266-S269 PolarHBondContact O-N 2.98Å; S269-V271 PolarHBondContact O-N 3.45Å; S269-M272 PolarHBondContact O-N 2.97Å; S269-Q273 VanDerWaalsContact O-CB 3.3Å; S269-Q273 WeakPolarHBondContact O-CB 3.41Å; S269-Q273 WeakPolarHBondContact O-CG 3.09Å; S269-Q273 PolarHBondContact O-N 3.42Å; S269-Q273 PolarHBondContact OG-NE2 3.34Å; S269-Q273 VanDerWaalsContact OG-NE2 3.08Å
270I95.3Very high94.9Very high26 Ų2644.8 Ų44.813%0.13321%0.208CC..Hα-helixtrans-59.3-48.7176.8-72.1161.7000111.5A266 R267 L268 Q274 L282 A287 R290A266-I270 WeakPolarHBondContact O-CB 3.46Å; A266-I270 WeakPolarHBondContact O-CD1 3.41Å; A266-I270 VanDerWaalsContact O-CG1 3.24Å; A266-I270 WeakPolarHBondContact O-CG1 3.41Å; A266-I270 PolarHBondContact O-N 2.96Å; R267-I270 PolarHBondContact O-N 3.27Å; L268-I270 PolarHBondContact O-N 3.12Å; I270-Q274 WeakPolarHBondContact O-CB 3.33Å; I270-Q274 PolarHBondContact O-N 2.71Å; I270-Q274 VanDerWaalsContact O-N 3.12Å; I270-L282 HydrophobicContact CG2-CD1 3.81Å; I270-A287 HydrophobicContact CG2-CB 4.35Å; I270-R290 HydrophobicContact CD1-CB 3.97Å; I270-R290 HydrophobicContact CG1-CB 4.45Å; I270-R290 HydrophobicContact CG2-CB 4.04Å
271V97.4Very high95Very high0 Ų045.9 Ų45.90%021%0.213CC..Hα-helixtrans-68.1-42.5-178.2177.70000110.7F263 R267 L268 S269 Q274 Y275 I281 L282 A287 F397 V401 W406F263-V271 HydrophobicContact CE1-CB 4.35Å; F263-V271 HydrophobicContact CE1-CG2 4.05Å; R267-V271 VanDerWaalsContact O-CG2 3.29Å; R267-V271 WeakPolarHBondContact O-CG2 3.28Å; R267-V271 PolarHBondContact O-N 2.76Å; R267-V271 VanDerWaalsContact O-N 3.07Å; L268-V271 PolarHBondContact O-N 2.86Å; S269-V271 PolarHBondContact O-N 3.45Å; V271-Q274 PolarHBondContact O-N 2.95Å; V271-Y275 WeakPolarHBondContact O-CB 3.46Å; V271-Y275 PolarHBondContact O-N 3.23Å; V271-I281 HydrophobicContact CG1-CG2 4.24Å; V271-L282 HydrophobicContact CG2-CB 4.33Å; V271-A287 HydrophobicContact CG2-CB 3.97Å; V271-F397 HydrophobicContact CG1-CE2 3.95Å; V271-F397 HydrophobicContact CG1-CZ 4.19Å; V271-V401 HydrophobicContact CG1-CG1 4.38Å; V271-W406 HydrophobicContact CG2-CH2 4.17Å; V271-W406 HydrophobicContact CG2-CZ2 3.49Å; V271-W406 VanDerWaalsContact CG2-CZ2 3.49Å
272M95.3Very high95.1Very high3 Ų342.7 Ų42.72%0.01520%0.198CC..Hα-helixtrans-65.8-44.7179.5-174.457.3-179.600112L268 S269 Q274 Y275 L276 C357 C361 M390 F397L268-M272 WeakPolarHBondContact O-CB 3.27Å; L268-M272 PolarHBondContact O-N 3.1Å; S269-M272 PolarHBondContact O-N 2.97Å; M272-Q274 VanDerWaalsContact C-N 3.35Å; M272-Q274 PolarHBondContact O-N 3.45Å; M272-Y275 PolarHBondContact O-N 2.85Å; M272-Y275 HydrophobicContact SD-CD1 4.35Å; M272-L276 HydrophobicContact CE-CD1 4.07Å; M272-L276 HydrophobicContact CE-CD2 3.93Å; M272-L276 HydrophobicContact CE-CG 3.95Å; M272-L276 HydrophobicContact CG-CD1 4.45Å; M272-L276 WeakPolarHBondContact O-CG 3.3Å; M272-L276 PolarHBondContact O-N 3.39Å; M272-L276 HydrophobicContact SD-CG 4.45Å; M272-C357 HydrophobicContact CE-CB 4.23Å; M272-C357 HydrophobicContact CG-CB 4.38Å; M272-C357 HydrophobicContact SD-CB 4.21Å; M272-C361 WeakPolarHBondContact CE-SG 3.47Å; M272-M390 HydrophobicContact CE-CE 3.34Å; M272-M390 HydrophobicContact CE-SD 3.75Å; M272-F397 HydrophobicContact CB-CZ 4.46Å; M272-F397 HydrophobicContact SD-CD2 4.09Å; M272-F397 HydrophobicContact SD-CE1 4.49Å; M272-F397 HydrophobicContact SD-CE2 3.88Å; M272-F397 HydrophobicContact SD-CG 4.45Å; M272-F397 HydrophobicContact SD-CZ 4.11Å
273Q93.1Very high95.2Very high84 Ų8443.2 Ų43.239%0.39320%0.203SC..Hα-helixtrans-63.1-40.8177.1-73.1176.918.300112S269 L276 K277S269-Q273 VanDerWaalsContact O-CB 3.3Å; S269-Q273 WeakPolarHBondContact O-CB 3.41Å; S269-Q273 WeakPolarHBondContact O-CG 3.09Å; S269-Q273 PolarHBondContact O-N 3.42Å; S269-Q273 PolarHBondContact OG-NE2 3.34Å; S269-Q273 VanDerWaalsContact OG-NE2 3.08Å; Q273-L276 PolarHBondContact O-N 3.42Å; Q273-K277 WeakPolarHBondContact O-CB 3.41Å; Q273-K277 PolarHBondContact O-N 2.88Å
274Q95.8Very high95.3Very high20 Ų2043.8 Ų43.89%0.09321%0.207CC..Hα-helixtrans-61.1-47.6174.2-176.570.544.300110.7I270 V271 M272 L276 K277 D278 R280 L282I270-Q274 WeakPolarHBondContact O-CB 3.33Å; I270-Q274 PolarHBondContact O-N 2.71Å; I270-Q274 VanDerWaalsContact O-N 3.12Å; V271-Q274 PolarHBondContact O-N 2.95Å; M272-Q274 VanDerWaalsContact C-N 3.35Å; M272-Q274 PolarHBondContact O-N 3.45Å; Q274-L276 VanDerWaalsContact C-N 3.34Å; Q274-L276 PolarHBondContact O-N 3.27Å; Q274-K277 WeakPolarHBondContact O-CB 3.4Å; Q274-K277 PolarHBondContact O-N 2.78Å; Q274-D278 PolarHBondContact NE2-OD1 2.91Å; Q274-D278 PolarHBondContact NE2-OD2 3.15Å; Q274-D278 PolarHBondContact O-N 3.14Å; Q274-D278 VanDerWaalsContact O-N 3.08Å; Q274-D278 VanDerWaalsContact O-OD1 3.06Å; Q274-R280 HydrophobicContact CG-CB 4.41Å; Q274-L282 HydrophobicContact CB-CD1 4Å; Q274-L282 HydrophobicContact CB-CG 4Å; Q274-L282 HydrophobicContact CG-CD1 4.14Å; Q274-L282 HydrophobicContact CG-CD2 3.8Å; Q274-L282 HydrophobicContact CG-CG 3.77Å
275Y96.3Very high95.5Very high18 Ų1846.6 Ų46.67%0.07123%0.227CC..Hα-helixtrans-61.3-40.7179.7177.7-108.7000112.8V271 M272 K277 R279 R280 I281 H393 F397V271-Y275 WeakPolarHBondContact O-CB 3.46Å; V271-Y275 PolarHBondContact O-N 3.23Å; M272-Y275 PolarHBondContact O-N 2.85Å; M272-Y275 HydrophobicContact SD-CD1 4.35Å; Y275-K277 VanDerWaalsContact C-N 3.27Å; Y275-K277 PolarHBondContact O-N 2.72Å; Y275-R279 HydrophobicContact CE2-CB 4.42Å; Y275-R279 WeakPolarHBondContact O-CA 3.3Å; Y275-R279 WeakPolarHBondContact O-CD 3.45Å; Y275-R279 PolarHBondContact O-N 3.31Å; Y275-R280 WeakPolarHBondContact CA-O 3.38Å; Y275-R280 PolarHBondContact N-O 3.36Å; Y275-I281 HydrophobicContact CD2-CD1 3.39Å; Y275-I281 HydrophobicContact CD2-CG1 4.18Å; Y275-I281 HydrophobicContact CE2-CD1 4.07Å; Y275-I281 HydrophobicContact CG-CD1 3.82Å; Y275-H393 HydrophobicContact CE1-CB 4.16Å; Y275-H393 PolarHBondContact OH-O 2.93Å; Y275-F397 HydrophobicContact CD1-CB 4.05Å; Y275-F397 AromaticContact CD1-CD2 3.5Å; Y275-F397 HydrophobicContact CD1-CD2 3.5Å; Y275-F397 HydrophobicContact CD1-CE2 4.36Å; Y275-F397 HydrophobicContact CD1-CG 4.18Å; Y275-F397 HydrophobicContact CD2-CD2 4.22Å; Y275-F397 HydrophobicContact CE1-CB 3.64Å; Y275-F397 AromaticContact CE1-CD2 4Å; Y275-F397 HydrophobicContact CE1-CD2 4Å; Y275-F397 HydrophobicContact CE1-CG 4.26Å; Y275-F397 AromaticContact CG-CD2 3.6Å; Y275-F397 HydrophobicContact CG-CD2 3.6Å; Y275-F397 HydrophobicContact CG-CE2 4.28Å; Y275-F397 PolarHBondContact OH-N 2.98Å
276L92Very high95.8Very high57 Ų5745.9 Ų45.930%0.29822%0.224SC..Hα-helixtrans-66.1-31.7175-71.9179.4000112.8M272 Q273 Q274 C361M272-L276 HydrophobicContact CE-CD1 4.07Å; M272-L276 HydrophobicContact CE-CD2 3.93Å; M272-L276 HydrophobicContact CE-CG 3.95Å; M272-L276 HydrophobicContact CG-CD1 4.45Å; M272-L276 WeakPolarHBondContact O-CG 3.3Å; M272-L276 PolarHBondContact O-N 3.39Å; M272-L276 HydrophobicContact SD-CG 4.45Å; Q273-L276 PolarHBondContact O-N 3.42Å; Q274-L276 VanDerWaalsContact C-N 3.34Å; Q274-L276 PolarHBondContact O-N 3.27Å; L276-C361 VanDerWaalsContact CD1-SG 3.56Å
277K93.4Very high96Very high173 Ų17345.1 Ų45.175%0.75222%0.217SC*.Hα-helixtrans-73.3-49.4-178.2-175.6-178.8178.6-178.10112.9Q273 Q274 Y275Q273-K277 WeakPolarHBondContact O-CB 3.41Å; Q273-K277 PolarHBondContact O-N 2.88Å; Q274-K277 WeakPolarHBondContact O-CB 3.4Å; Q274-K277 PolarHBondContact O-N 2.78Å; Y275-K277 VanDerWaalsContact C-N 3.27Å; Y275-K277 PolarHBondContact O-N 2.72Å
278D95.4Very high96Very high86 Ų8645.5 Ų45.546%0.4622%0.22SC..Hα-helixtrans-141.613.9-17265.66.8000114.6Q274 R280Q274-D278 PolarHBondContact NE2-OD1 2.91Å; Q274-D278 PolarHBondContact NE2-OD2 3.15Å; Q274-D278 PolarHBondContact O-N 3.14Å; Q274-D278 VanDerWaalsContact O-N 3.08Å; Q274-D278 VanDerWaalsContact O-OD1 3.06Å; D278-R280 PolarHBondContact O-N 2.92Å; D278-R280 VanDerWaalsContact O-N 3.12Å; D278-R280 WeakPolarHBondContact OD1-CB 3.1Å; D278-R280 PolarHBondContact OD1-N 3.33Å; D278-R280 VanDerWaalsContact OD1-N 3.12Å
279R94.9Very high96Very high120 Ų12051.6 Ų51.645%0.45325%0.248SC..SBendtrans63.39.5-179.6-51.2-60.9178177.51.7114.6Y275 H393Y275-R279 HydrophobicContact CE2-CB 4.42Å; Y275-R279 WeakPolarHBondContact O-CA 3.3Å; Y275-R279 WeakPolarHBondContact O-CD 3.45Å; Y275-R279 PolarHBondContact O-N 3.31Å; R279-H393 PolarHBondContact NH1-CE1 3.11Å; R279-H393 PolarHBondContact NH1-ND1 3.05Å; R279-H393 PolarHBondContact NH1-NE2 3.27Å; R279-H393 PolarHBondContact NH2-CE1 3.18Å; R279-H393 PolarHBondContact NH2-NE2 3.26Å
280R97.1Very high96.1Very high133 Ų13356.6 Ų56.650%0.50226%0.262SS..PPolyproline II helixtrans-82.4133.8172.3-174.8178.8172.7150.4-1.8110.8Q274 Y275 D278 E286Q274-R280 HydrophobicContact CG-CB 4.41Å; Y275-R280 WeakPolarHBondContact CA-O 3.38Å; Y275-R280 PolarHBondContact N-O 3.36Å; D278-R280 PolarHBondContact O-N 2.92Å; D278-R280 VanDerWaalsContact O-N 3.12Å; D278-R280 WeakPolarHBondContact OD1-CB 3.1Å; D278-R280 PolarHBondContact OD1-N 3.33Å; D278-R280 VanDerWaalsContact OD1-N 3.12Å; R280-E286 IonicContact CZ-OE1 3.63Å; R280-E286 IonicContact NE-OE1 3.93Å; R280-E286 IonicContact NH2-OE1 2.63Å; R280-E286 PolarHBondContact NH2-OE1 3.1Å
281I98.1Very high96.1Very high31 Ų3155.6 Ų55.616%0.15926%0.257CS..PPolyproline II helixtrans-91.6127.3166.6-58.3-63.3000108.4V271 Y275 F397 V401 A404V271-I281 HydrophobicContact CG1-CG2 4.24Å; Y275-I281 HydrophobicContact CD2-CD1 3.39Å; Y275-I281 HydrophobicContact CD2-CG1 4.18Å; Y275-I281 HydrophobicContact CE2-CD1 4.07Å; Y275-I281 HydrophobicContact CG-CD1 3.82Å; I281-F397 HydrophobicContact CD1-CD2 3.53Å; I281-F397 HydrophobicContact CD1-CE2 3.86Å; I281-F397 HydrophobicContact CD1-CG 4.48Å; I281-V401 HydrophobicContact CD1-CG2 4.44Å; I281-V401 HydrophobicContact CG2-CG1 4.48Å; I281-A404 HydrophobicContact CG2-CB 3.64Å
282L98.3Very high95.8Very high1 Ų157.1 Ų57.11%0.00527%0.267CS..PPolyproline II helixtrans-78.7139.7171.9-58.9179000109.7I270 V271 Q274 E286 A287 W406I270-L282 HydrophobicContact CG2-CD1 3.81Å; V271-L282 HydrophobicContact CG2-CB 4.33Å; Q274-L282 HydrophobicContact CB-CD1 4Å; Q274-L282 HydrophobicContact CB-CG 4Å; Q274-L282 HydrophobicContact CG-CD1 4.14Å; Q274-L282 HydrophobicContact CG-CD2 3.8Å; Q274-L282 HydrophobicContact CG-CG 3.77Å; L282-E286 HydrophobicContact CB-CB 4.09Å; L282-E286 HydrophobicContact CD2-CB 4.18Å; L282-A287 HydrophobicContact CB-CB 4.41Å; L282-W406 PolarHBondContact O-NE1 3.33Å
283S98.2Very high95.7Very high33 Ų3357.2 Ų57.223%0.23127%0.267CS..PPolyproline II helixtrans-67.9162.3165.861.20000111.5S285 E286 A287S283-S285 PolarHBondContact O-N 2.93Å; S283-E286 WeakPolarHBondContact CB-OE2 3.47Å; S283-E286 PolarHBondContact N-OE2 3.1Å; S283-E286 PolarHBondContact O-N 3.29Å; S283-E286 VanDerWaalsContact O-N 3.17Å; S283-E286 VanDerWaalsContact OG-CG 3.31Å; S283-E286 WeakPolarHBondContact OG-CG 3.27Å; S283-E286 PolarHBondContact OG-N 3.45Å; S283-E286 PolarHBondContact OG-OE2 3.4Å; S283-A287 PolarHBondContact O-N 2.9Å
284P97.9Very high95.6Very high13 Ų1359.1 Ų59.18%0.08428%0.275CS..Hα-helixtrans-50.9-40.2172.6-29.836000113.6V259 E261 N288 A404 W406V259-P284 VanDerWaalsContact CG1-C 3.48Å; V259-P284 HydrophobicContact CG1-CB 3.73Å; E261-P284 HydrophobicContact CG-CB 4.43Å; E261-P284 HydrophobicContact CG-CG 4.25Å; P284-N288 WeakPolarHBondContact O-CB 3.45Å; P284-N288 PolarHBondContact O-N 3.43Å; P284-A404 VanDerWaalsContact CD-O 3.27Å; P284-A404 WeakPolarHBondContact CD-O 3.36Å; P284-W406 HydrophobicContact CB-CH2 4.39Å; P284-W406 HydrophobicContact CB-CZ2 4.33Å; P284-W406 HydrophobicContact CG-CD2 3.9Å; P284-W406 HydrophobicContact CG-CE3 4.3Å; P284-W406 HydrophobicContact CG-CG 4.19Å; P284-W406 HydrophobicContact CG-CZ2 4.26Å
285S97.4Very high94.8Very high62 Ų6261 Ų6143%0.43429%0.285SS..Hα-helixtrans-65.5-44.3179.1-1720000112.7S283 N288 Q289S283-S285 PolarHBondContact O-N 2.93Å; S285-N288 PolarHBondContact O-N 3.37Å; S285-Q289 PolarHBondContact O-N 2.84Å
286E97.6Very high93.7Very high53 Ų5366.4 Ų66.425%0.24831%0.311CS..Hα-helixtrans-68.7-39.1178.5-68.2167.1123.800112.3R280 L282 S283 Q289R280-E286 IonicContact CZ-OE1 3.63Å; R280-E286 IonicContact NE-OE1 3.93Å; R280-E286 IonicContact NH2-OE1 2.63Å; R280-E286 PolarHBondContact NH2-OE1 3.1Å; L282-E286 HydrophobicContact CB-CB 4.09Å; L282-E286 HydrophobicContact CD2-CB 4.18Å; S283-E286 WeakPolarHBondContact CB-OE2 3.47Å; S283-E286 PolarHBondContact N-OE2 3.1Å; S283-E286 PolarHBondContact O-N 3.29Å; S283-E286 VanDerWaalsContact O-N 3.17Å; S283-E286 VanDerWaalsContact OG-CG 3.31Å; S283-E286 WeakPolarHBondContact OG-CG 3.27Å; S283-E286 PolarHBondContact OG-N 3.45Å; S283-E286 PolarHBondContact OG-OE2 3.4Å; E286-Q289 PolarHBondContact O-N 3.31Å
287A97.1Very high92Very high0 Ų072.8 Ų72.80%034%0.337CS..Hα-helixtrans-68.1-39.3175.300000111.6I270 V271 L282 S283 Q289 R290 E291 W406I270-A287 HydrophobicContact CG2-CB 4.35Å; V271-A287 HydrophobicContact CG2-CB 3.97Å; L282-A287 HydrophobicContact CB-CB 4.41Å; S283-A287 PolarHBondContact O-N 2.9Å; A287-Q289 PolarHBondContact O-N 3.19Å; A287-R290 CarbonylContact O-C 3.52Å; A287-R290 WeakPolarHBondContact O-CA 3.47Å; A287-R290 PolarHBondContact O-N 3.16Å; A287-E291 PolarHBondContact O-N 3.21Å; A287-W406 HydrophobicContact CB-CH2 3.65Å; A287-W406 HydrophobicContact CB-CZ2 3.49Å; A287-W406 VanDerWaalsContact CB-CZ2 3.49Å
288N96.6Very high90.2Very high11 Ų1167.5 Ų67.56%0.05933%0.332CS..Hα-helixtrans-56-38.2175177.356.5000111.6K138 R256 V258 V259 P284 S285 R290 E291K138-N288 PolarHBondContact NZ-OD1 3Å; R256-N288 PolarHBondContact NH1-O 3.46Å; R256-N288 PolarHBondContact O-ND2 3.31Å; V258-N288 PolarHBondContact O-OD1 3.03Å; V259-N288 HydrophobicContact CG1-CB 4.33Å; V259-N288 HydrophobicContact CG2-CB 4.4Å; P284-N288 WeakPolarHBondContact O-CB 3.45Å; P284-N288 PolarHBondContact O-N 3.43Å; S285-N288 PolarHBondContact O-N 3.37Å; N288-R290 PolarHBondContact O-N 3.32Å; N288-R290 VanDerWaalsContact O-N 3.13Å; N288-E291 PolarHBondContact O-N 3.33Å
289Q95.8Very high88.2Confident130 Ų13073.3 Ų73.361%0.60735%0.353SS*.Hα-helixtrans-60.3-25.9176.1-68.1176.81300113.3R256 S285 E286 A287R256-Q289 VanDerWaalsContact NH2-C 3.31Å; R256-Q289 VanDerWaalsContact NH2-CA 3.35Å; R256-Q289 PolarHBondContact NH2-O 2.88Å; S285-Q289 PolarHBondContact O-N 2.84Å; E286-Q289 PolarHBondContact O-N 3.31Å; A287-Q289 PolarHBondContact O-N 3.19Å
290R95.2Very high87.1Confident134 Ų13470.7 Ų70.751%0.50636%0.357SS..Hα-helixtrans-101.9-12.9-179.8-56.4-179.5-169.9-174.45113.2I270 A287 N288 P292I270-R290 HydrophobicContact CD1-CB 3.97Å; I270-R290 HydrophobicContact CG1-CB 4.45Å; I270-R290 HydrophobicContact CG2-CB 4.04Å; A287-R290 CarbonylContact O-C 3.52Å; A287-R290 WeakPolarHBondContact O-CA 3.47Å; A287-R290 PolarHBondContact O-N 3.16Å; N288-R290 PolarHBondContact O-N 3.32Å; N288-R290 VanDerWaalsContact O-N 3.13Å; R290-P292 WeakPolarHBondContact O-CD 3.4Å
291E94.9Very high86.4Confident6 Ų665.4 Ų65.43%0.02834%0.339CS..  trans-62.5122.9-178.3-174.6177.6-161.200110.9K138 R256 N264 R267 A287 N288 V293K138-E291 IonicContact NZ-OE2 2.61Å; K138-E291 PolarHBondContact NZ-OE2 3.16Å; R256-E291 PolarHBondContact NH1-O 3.12Å; N264-E291 PolarHBondContact ND2-OE1 3Å; R267-E291 HydrophobicContact CG-CG 4.31Å; R267-E291 IonicContact NE-OE1 2.68Å; R267-E291 PolarHBondContact NE-OE1 3.27Å; A287-E291 PolarHBondContact O-N 3.21Å; N288-E291 PolarHBondContact O-N 3.33Å; E291-V293 PolarHBondContact O-N 2.85Å
292P92.4Very high85.9Confident31 Ų3166.9 Ų66.920%0.20135%0.351CS..  trans-70.9127.3175.229.1-33.4000110.2K139 A266 R290K139-P292 WeakPolarHBondContact CE-O 3.29Å; A266-P292 HydrophobicContact CB-CG 4.12Å; R290-P292 WeakPolarHBondContact O-CD 3.4Å
293V92.9Very high85.6Confident5 Ų567.8 Ų67.83%0.0336%0.356CS..  trans-102.1-4.8178.9-61.40000113.3K138 K139 L142 Y252 V255 R256 E291K138-V293 HydrophobicContact CB-CG1 4.38Å; K138-V293 HydrophobicContact CD-CG1 4.39Å; K139-V293 VanDerWaalsContact CA-O 3.29Å; K139-V293 WeakPolarHBondContact CA-O 3.37Å; L142-V293 HydrophobicContact CD1-CB 3.75Å; L142-V293 HydrophobicContact CD1-CG2 3.56Å; L142-V293 WeakPolarHBondContact CD1-O 3.32Å; Y252-V293 HydrophobicContact CD2-CG2 3.97Å; Y252-V293 HydrophobicContact CE2-CG2 3.79Å; V255-V293 HydrophobicContact CG2-CB 4.14Å; V255-V293 HydrophobicContact CG2-CG1 4.17Å; V255-V293 HydrophobicContact CG2-CG2 4.45Å; R256-V293 HydrophobicContact CG-CG1 4.47Å; E291-V293 PolarHBondContact O-N 2.85Å
294F90.5Very high85.3Confident125 Ų12571.6 Ų71.655%0.54837%0.369SS..SBendtrans-96.6150.4172.6-63.1-72.8000110.8L142 Y252 Q296L142-F294 HydrophobicContact CD1-CD1 4.41Å; L142-F294 HydrophobicContact CD1-CE1 4.18Å; Y252-F294 HydrophobicContact CD2-CE2 4.35Å; Y252-F294 HydrophobicContact CD2-CZ 4.06Å; Y252-F294 HydrophobicContact CE2-CE2 4.16Å; Y252-F294 HydrophobicContact CE2-CZ 4.31Å; F294-Q296 PolarHBondContact O-N 3.44Å; F294-Q296 VanDerWaalsContact O-N 3.16Å
295L79.8Confident85.1Confident60 Ų6071.2 Ų71.231%0.31437%0.366SS..  trans-63.1115.2168.6-67.5176.2000108.7K139 F143K139-L295 HydrophobicContact CB-CD2 3.94Å; K139-L295 HydrophobicContact CB-CG 4.47Å; K139-L295 HydrophobicContact CD-CD2 4.31Å; F143-L295 HydrophobicContact CB-CD1 3.8Å; F143-L295 HydrophobicContact CB-CG 4.37Å; F143-L295 HydrophobicContact CD2-CD1 3.44Å; F143-L295 VanDerWaalsContact CD2-CD1 3.44Å; F143-L295 HydrophobicContact CE2-CD1 4.16Å; F143-L295 HydrophobicContact CG-CD1 3.67Å
296Q71.9Confident85Confident131 Ų13168.3 Ų68.361%0.61235%0.345SS*.  trans-82.3126.9178.3-70.2-178-4.900109.9F294F294-Q296 PolarHBondContact O-N 3.44Å; F294-Q296 VanDerWaalsContact O-N 3.16Å
297F56.3Low84.9Confident190 Ų19066.2 Ų66.283%0.83334%0.337SS*.  trans-99.493.4170.4-65-81.7000109.2
298G56.2Low84.8Confident63 Ų6371.3 Ų71.365%0.64936%0.356SS*.SBendtrans74.7128.2171.100000115.4
299K53.7Low84.8Confident208 Ų20873.1 Ų73.190%0.90437%0.365SS*.  trans169.4-24.2149.3-96.6170.4-173.5-174.60112.4
300A70.4Confident84.7Confident65 Ų6572 Ų7254%0.53736%0.36SS..SBendtrans-96.6143.8175.900000111.7P302A300-P302 WeakPolarHBondContact O-CD 3.43Å
301T83.2Confident84.7Confident21 Ų2168.1 Ų68.113%0.12935%0.349CS..PPolyproline II helixtrans-62.8117.3169-52.10000108.4G337 I339 S363 L366T301-G337 WeakPolarHBondContact CG2-O 3.35Å; T301-I339 HydrophobicContact CG2-CD1 4.17Å; T301-I339 HydrophobicContact CG2-CG1 3.95Å; T301-S363 WeakPolarHBondContact CB-OG 3.48Å; T301-S363 PolarHBondContact O-OG 2.95Å; T301-S363 VanDerWaalsContact O-OG 3.1Å; T301-L366 HydrophobicContact CG2-CD1 4.06Å
302P87.8Confident84.6Confident62 Ų6268 Ų6840%0.40335%0.349SS..PPolyproline II helixtrans-65.5137.3-175.726.6-35.3000111A300 G337 C338 I339A300-P302 WeakPolarHBondContact O-CD 3.43Å; P302-G337 WeakPolarHBondContact CD-O 3.42Å; P302-C338 HydrophobicContact CG-CB 4.21Å; P302-C338 VanDerWaalsContact CG-SG 3.59Å; P302-C338 WeakPolarHBondContact O-CA 3.33Å; P302-I339 PolarHBondContact O-N 3.25Å
303V91.3Very high84.7Confident21 Ų2167 Ų6713%0.12734%0.343CS..EExtended strand (participates in β ladder)trans-101.1135.6172.9-172.40000109.2I339 V341 M356 A359V303-I339 CarbonylContact C-O 3.58Å; V303-I339 WeakPolarHBondContact CA-O 3.48Å; V303-I339 HydrophobicContact CG2-CB 4.32Å; V303-I339 HydrophobicContact CG2-CD1 4.32Å; V303-V341 HydrophobicContact CG1-CG2 4.24Å; V303-M356 HydrophobicContact CB-CE 4.08Å; V303-M356 HydrophobicContact CB-SD 4.49Å; V303-M356 HydrophobicContact CG1-CE 3.76Å; V303-M356 HydrophobicContact CG1-SD 3.53Å; V303-M356 VanDerWaalsContact CG1-SD 3.53Å; V303-A359 HydrophobicContact CB-CB 4.49Å; V303-A359 HydrophobicContact CG1-CB 3.61Å; V303-A359 HydrophobicContact CG2-CB 3.99Å
304K93Very high84.7Confident113 Ų11373.8 Ų73.849%0.49138%0.375SS..EExtended strand (participates in β ladder)trans-120.4116.5173.9-62.4-176.3-177.51770109.1V307 I339 V341K304-V307 HydrophobicContact CB-CG1 3.51Å; K304-V307 HydrophobicContact CD-CG1 4.47Å; K304-I339 PolarHBondContact N-O 3.22Å; K304-V341 PolarHBondContact O-N 2.87Å
305L93.8Very high84.8Confident5 Ų569.6 Ų69.63%0.02636%0.361CS..EExtended strand (participates in β ladder)trans-98.2139.2-179.3-174.860.1000110.6V341 L343 M356 L413 W415 D416L305-V341 HydrophobicContact CD1-CB 3.63Å; L305-V341 HydrophobicContact CD1-CG1 3.51Å; L305-V341 HydrophobicContact CD1-CG2 4.17Å; L305-L343 HydrophobicContact CD1-CD1 3.82Å; L305-L343 HydrophobicContact CD1-CD2 3.94Å; L305-L343 HydrophobicContact CD1-CG 3.97Å; L305-L343 HydrophobicContact CG-CD1 4.07Å; L305-M356 HydrophobicContact CB-SD 4.11Å; L305-M356 HydrophobicContact CD1-CG 4.42Å; L305-M356 HydrophobicContact CD1-SD 4.27Å; L305-M356 HydrophobicContact CD2-CG 3.86Å; L305-M356 HydrophobicContact CD2-SD 4.08Å; L305-M356 HydrophobicContact CG-SD 4.4Å; L305-L413 HydrophobicContact CD2-CB 3.79Å; L305-W415 HydrophobicContact CB-CB 3.9Å; L305-W415 HydrophobicContact CD2-CB 3.75Å; L305-W415 HydrophobicContact CG-CB 3.63Å; L305-W415 WeakPolarHBondContact O-CA 3.47Å; L305-D416 PolarHBondContact O-N 3.22Å
306G94.9Very high85.4Confident0 Ų070.9 Ų70.90%037%0.373CS..SBendtrans7245.7179.400000113.2V341 D416 W418G306-V341 PolarHBondContact N-O 3.48Å; G306-D416 WeakPolarHBondContact CA-O 3.31Å; G306-D416 CarbonylContact O-C 3.48Å; G306-D416 WeakPolarHBondContact O-CB 3.46Å; G306-D416 VanDerWaalsContact O-O 3.14Å; G306-W418 VanDerWaalsContact O-CB 3.25Å; G306-W418 WeakPolarHBondContact O-CB 3.45Å; G306-W418 PolarHBondContact O-N 2.95Å
307V95.6Very high86.4Confident10 Ų1070.5 Ų70.56%0.06137%0.371CS..  trans-91.8169.2178.4-59.40000112.8K304 D311 V312 C340 V341 C342 W418K304-V307 HydrophobicContact CB-CG1 3.51Å; K304-V307 HydrophobicContact CD-CG1 4.47Å; V307-D311 HydrophobicContact CB-CB 4.18Å; V307-D311 HydrophobicContact CG2-CB 4.01Å; V307-V312 HydrophobicContact CG2-CG2 4.12Å; V307-C340 HydrophobicContact CG2-CB 3.77Å; V307-V341 WeakPolarHBondContact CG2-O 3.44Å; V307-V341 PolarHBondContact N-O 3.37Å; V307-C342 HydrophobicContact CG2-CB 4.47Å; V307-C342 PolarHBondContact O-SG 3.43Å; V307-C342 VanDerWaalsContact O-SG 3.34Å; V307-W418 WeakPolarHBondContact O-CB 3.3Å
308R95.7Very high88.1Confident106 Ų10662.6 Ų62.640%0.434%0.337SS..  trans-65.7149.1174.1-59.7174177.9-177.82110.4Q310 D311 W418R308-Q310 HydrophobicContact CB-CG 3.73Å; R308-Q310 PolarHBondContact O-N 3.31Å; R308-D311 WeakPolarHBondContact CB-OD2 3.35Å; R308-D311 PolarHBondContact N-OD2 2.98Å; R308-D311 WeakPolarHBondContact O-CB 3.33Å; R308-D311 PolarHBondContact O-N 2.94Å; R308-W418 HydrophobicContact CG-CD2 3.41Å; R308-W418 VanDerWaalsContact CG-CD2 3.41Å; R308-W418 HydrophobicContact CG-CE3 3.69Å; R308-W418 HydrophobicContact CG-CG 3.8Å; R308-W418 HydrophobicContact CG-CH2 4.35Å; R308-W418 HydrophobicContact CG-CZ2 4.14Å; R308-W418 HydrophobicContact CG-CZ3 4.13Å; R308-W418 VanDerWaalsContact NH2-CZ2 3.3Å
309L95.1Very high89.9Confident49 Ų4961.6 Ų61.626%0.25732%0.316SS..G310 helixtrans-54.7-39.4175.1-178.361.6000112.3D311 V312 A313 L319 L331 V420 W422L309-D311 PolarHBondContact O-N 2.79Å; L309-D311 VanDerWaalsContact O-N 3.12Å; L309-V312 PolarHBondContact O-N 3.19Å; L309-A313 PolarHBondContact O-N 3.48Å; L309-L319 HydrophobicContact CD1-CD1 3.99Å; L309-L319 HydrophobicContact CD2-CD1 4.4Å; L309-L331 HydrophobicContact CD1-CD1 3.74Å; L309-V420 HydrophobicContact CD2-CG2 4.22Å; L309-W422 HydrophobicContact CD1-CH2 3.93Å; L309-W422 HydrophobicContact CD2-CH2 4.1Å; L309-W422 HydrophobicContact CD2-CZ3 4.2Å
310Q94.5Very high91.7Very high107 Ų10756.9 Ų56.950%0.530%0.301SS..G310 helixtrans-59.9-22.7178.168.6179.324.500113.7R308 V312 A313 R335R308-Q310 HydrophobicContact CB-CG 3.73Å; R308-Q310 PolarHBondContact O-N 3.31Å; Q310-V312 VanDerWaalsContact C-N 3.29Å; Q310-A313 WeakPolarHBondContact CA-O 3.39Å; Q310-R335 PolarHBondContact O-NH1 3.41Å
311D94.2Very high92.7Very high53 Ų5357 Ų5728%0.28329%0.292SS..G310 helixtrans-81.4-14.3178.2-61.2-40.9000112.1V307 R308 L309V307-D311 HydrophobicContact CB-CB 4.18Å; V307-D311 HydrophobicContact CG2-CB 4.01Å; R308-D311 WeakPolarHBondContact CB-OD2 3.35Å; R308-D311 PolarHBondContact N-OD2 2.98Å; R308-D311 WeakPolarHBondContact O-CB 3.33Å; R308-D311 PolarHBondContact O-N 2.94Å; L309-D311 PolarHBondContact O-N 2.79Å; L309-D311 VanDerWaalsContact O-N 3.12Å
312V94.1Very high93.1Very high4 Ų456.3 Ų56.32%0.02429%0.289CS..THydrogen-bonded Turntrans-98.5-47.9174.2171.60000111.2V307 L309 Q310 A322 L331 C340 C342V307-V312 HydrophobicContact CG2-CG2 4.12Å; L309-V312 PolarHBondContact O-N 3.19Å; Q310-V312 VanDerWaalsContact C-N 3.29Å; V312-A322 HydrophobicContact CG1-CB 4.43Å; V312-L331 HydrophobicContact CG1-CB 3.98Å; V312-C340 HydrophobicContact CG2-CB 3.89Å; V312-C342 HydrophobicContact CG2-CB 3.75Å
313A93.2Very high93.3Very high10 Ų1056.5 Ų56.58%0.08329%0.286CS..  trans-138.2127.5-177.800000111.4L309 Q310 E318 L319L309-A313 PolarHBondContact O-N 3.48Å; Q310-A313 WeakPolarHBondContact CA-O 3.39Å; A313-E318 WeakPolarHBondContact CA-OE2 3.12Å; A313-E318 HydrophobicContact CB-CB 3.83Å; A313-L319 HydrophobicContact CB-CB 4.03Å; A313-L319 HydrophobicContact CB-CD1 4.43Å
314Q92.5Very high93.2Very high146 Ų14660.9 Ų60.968%0.68230%0.304SS*.SBendtrans-99.8-20.4-179.9-102167.9-2.200114.1E318 R335Q314-E318 PolarHBondContact N-OE2 3.48Å; Q314-R335 VanDerWaalsContact CD-CZ 3.47Å
315S93.3Very high92.7Very high37 Ų3761.5 Ų61.526%0.25931%0.308SS..SBendtrans-125.7160.1179.584.80000111.5E317 E318 L319S315-E317 WeakPolarHBondContact CB-OE2 3.39Å; S315-E317 PolarHBondContact O-N 3.09Å; S315-E317 PolarHBondContact OG-N 2.86Å; S315-E317 PolarHBondContact OG-OE2 3.35Å; S315-E318 PolarHBondContact O-N 3.48Å; S315-E318 PolarHBondContact OG-N 3.44Å; S315-L319 PolarHBondContact O-N 2.77Å
316P92.8Very high92.3Very high87 Ų8762.3 Ų62.357%0.56531%0.312SS*.Hα-helixtrans-56.1-33.5172.5-2535.6000113L319 N320P316-L319 PolarHBondContact O-N 3.31Å; P316-N320 WeakPolarHBondContact O-CB 3.42Å; P316-N320 VanDerWaalsContact O-CG 3.22Å; P316-N320 PolarHBondContact O-N 3.22Å; P316-N320 PolarHBondContact O-ND2 3.16Å; P316-N320 VanDerWaalsContact O-ND2 3.13Å
317E92.7Very high92Very high123 Ų12369.9 Ų69.958%0.57535%0.353SS*.Hα-helixtrans-67.6-46.8177.2-56.672.7-153.900111.5S315 L319 N320 L321S315-E317 WeakPolarHBondContact CB-OE2 3.39Å; S315-E317 PolarHBondContact O-N 3.09Å; S315-E317 PolarHBondContact OG-N 2.86Å; S315-E317 PolarHBondContact OG-OE2 3.35Å; E317-L319 VanDerWaalsContact C-N 3.28Å; E317-L319 PolarHBondContact O-N 3.18Å; E317-N320 PolarHBondContact O-N 2.81Å; E317-L321 WeakPolarHBondContact O-CG 3.46Å; E317-L321 PolarHBondContact O-N 3.12Å
318E92.8Very high91.8Very high25 Ų2571.2 Ų71.212%0.11736%0.359CS..Hα-helixtrans-61.4-38.6174.4-74.9-173.5174.300111.5A313 Q314 S315 L321 A322 R335 Q376 W380A313-E318 WeakPolarHBondContact CA-OE2 3.12Å; A313-E318 HydrophobicContact CB-CB 3.83Å; Q314-E318 PolarHBondContact N-OE2 3.48Å; S315-E318 PolarHBondContact O-N 3.48Å; S315-E318 PolarHBondContact OG-N 3.44Å; E318-L321 PolarHBondContact O-N 3.03Å; E318-A322 PolarHBondContact O-N 3.45Å; E318-R335 IonicContact OE2-NH2 3.71Å; E318-R335 PolarHBondContact OE2-NH2 2.73Å; E318-R335 VanDerWaalsContact OE2-NH2 3.1Å; E318-Q376 PolarHBondContact OE1-NE2 2.95Å; E318-Q376 VanDerWaalsContact OE1-NE2 3.14Å; E318-W380 HydrophobicContact CB-CZ2 4.02Å; E318-W380 HydrophobicContact CG-CZ2 4.26Å
319L92.9Very high91.7Very high42 Ų4267 Ų6722%0.2235%0.346CS..Hα-helixtrans-65.8-42.8177.2-179.359.8000111.4L309 A313 S315 P316 E317 L321 A322 L323 L331 W422L309-L319 HydrophobicContact CD1-CD1 3.99Å; L309-L319 HydrophobicContact CD2-CD1 4.4Å; A313-L319 HydrophobicContact CB-CB 4.03Å; A313-L319 HydrophobicContact CB-CD1 4.43Å; S315-L319 PolarHBondContact O-N 2.77Å; P316-L319 PolarHBondContact O-N 3.31Å; E317-L319 VanDerWaalsContact C-N 3.28Å; E317-L319 PolarHBondContact O-N 3.18Å; L319-L321 VanDerWaalsContact C-N 3.29Å; L319-L321 PolarHBondContact O-N 3.31Å; L319-A322 PolarHBondContact O-N 3.46Å; L319-L323 HydrophobicContact CD1-CD1 4.04Å; L319-L323 HydrophobicContact CD1-CG 4.27Å; L319-L323 HydrophobicContact CG-CD1 3.89Å; L319-L323 WeakPolarHBondContact O-CB 3.28Å; L319-L323 WeakPolarHBondContact O-CG 3.37Å; L319-L323 PolarHBondContact O-N 2.8Å; L319-L331 HydrophobicContact CD1-CD1 4.07Å; L319-W422 HydrophobicContact CD1-CH2 3.93Å; L319-W422 HydrophobicContact CD1-CZ3 4.27Å
320N92.1Very high91.8Very high108 Ų10864.9 Ų64.958%0.57833%0.334SS*.Hα-helixtrans-62.7-37175.1-75.6-32.8000111.8P316 E317 K324P316-N320 WeakPolarHBondContact O-CB 3.42Å; P316-N320 VanDerWaalsContact O-CG 3.22Å; P316-N320 PolarHBondContact O-N 3.22Å; P316-N320 PolarHBondContact O-ND2 3.16Å; P316-N320 VanDerWaalsContact O-ND2 3.13Å; E317-N320 PolarHBondContact O-N 2.81Å; N320-K324 WeakPolarHBondContact O-CB 3.44Å; N320-K324 PolarHBondContact O-N 3.42Å
321L92Very high91.8Very high67 Ų6760 Ų6035%0.35131%0.311SS..Hα-helixtrans-64.6-47.4172-70.8172000111.1E317 E318 L319 L323 K324 W380 H384E317-L321 WeakPolarHBondContact O-CG 3.46Å; E317-L321 PolarHBondContact O-N 3.12Å; E318-L321 PolarHBondContact O-N 3.03Å; L319-L321 VanDerWaalsContact C-N 3.29Å; L319-L321 PolarHBondContact O-N 3.31Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.39Å; L321-K324 VanDerWaalsContact O-CB 3.32Å; L321-K324 WeakPolarHBondContact O-CB 3.37Å; L321-K324 PolarHBondContact O-N 3.38Å; L321-K324 VanDerWaalsContact O-N 3.1Å; L321-W380 HydrophobicContact CB-CD2 4.01Å; L321-W380 HydrophobicContact CB-CE3 4.2Å; L321-W380 HydrophobicContact CB-CG 4.33Å; L321-W380 HydrophobicContact CD1-CD2 4.41Å; L321-W380 HydrophobicContact CD1-CG 4.08Å; L321-H384 PolarHBondContact O-CE1 3.28Å
322A90.9Very high91.9Very high8 Ų858 Ų587%0.06630%0.3CS..Hα-helixtrans-60.7-34.2178.400000113.5V312 E318 L319 L331 W380V312-A322 HydrophobicContact CG1-CB 4.43Å; E318-A322 PolarHBondContact O-N 3.45Å; L319-A322 PolarHBondContact O-N 3.46Å; A322-L331 HydrophobicContact CB-CD1 4.21Å; A322-L331 HydrophobicContact CB-CD2 4.33Å; A322-W380 HydrophobicContact CB-CH2 3.75Å; A322-W380 HydrophobicContact CB-CZ3 3.67Å
323L91.1Very high91.9Very high66 Ų6657.8 Ų57.835%0.34630%0.299SS..Hα-helixtrans-82.2-17178.1-71.3167.5000113.3L319 L321 E325 N326 L331 W422L319-L323 HydrophobicContact CD1-CD1 4.04Å; L319-L323 HydrophobicContact CD1-CG 4.27Å; L319-L323 HydrophobicContact CG-CD1 3.89Å; L319-L323 WeakPolarHBondContact O-CB 3.28Å; L319-L323 WeakPolarHBondContact O-CG 3.37Å; L319-L323 PolarHBondContact O-N 2.8Å; L321-L323 VanDerWaalsContact C-N 3.26Å; L321-L323 PolarHBondContact O-N 3.39Å; L323-E325 PolarHBondContact O-N 2.99Å; L323-N326 PolarHBondContact O-N 3.45Å; L323-N326 VanDerWaalsContact O-N 3.13Å; L323-L331 HydrophobicContact CD2-CD2 4.03Å; L323-W422 HydrophobicContact CD2-CH2 4.44Å; L323-W422 HydrophobicContact CD2-CZ2 4.37Å
324K89.1Confident91.8Very high113 Ų11358.7 Ų58.749%0.49130%0.302SS..THydrogen-bonded Turntrans-62.9121.8-174.4-174.9-179.2177.4-174.90110.2N320 L321 N326N320-K324 WeakPolarHBondContact O-CB 3.44Å; N320-K324 PolarHBondContact O-N 3.42Å; L321-K324 VanDerWaalsContact O-CB 3.32Å; L321-K324 WeakPolarHBondContact O-CB 3.37Å; L321-K324 PolarHBondContact O-N 3.38Å; L321-K324 VanDerWaalsContact O-N 3.1Å; K324-N326 PolarHBondContact O-N 2.88Å; K324-N326 VanDerWaalsContact O-N 3.1Å
325E82.7Confident91.6Very high125 Ų12553.5 Ų53.558%0.58428%0.277SS*.THydrogen-bonded Turntrans58.516.7-179.2-63.4170.5-161.800113.7L323 Q387L323-E325 PolarHBondContact O-N 2.99Å; E325-Q387 PolarHBondContact O-NE2 2.97Å
326N86.9Confident91.2Very high22 Ų2259.2 Ų59.212%0.11830%0.304CS..  trans-103.5111.7-179.9-171.57.5000111.8L323 K324 M328 F330 L331L323-N326 PolarHBondContact O-N 3.45Å; L323-N326 VanDerWaalsContact O-N 3.13Å; K324-N326 PolarHBondContact O-N 2.88Å; K324-N326 VanDerWaalsContact O-N 3.1Å; N326-M328 VanDerWaalsContact OD1-CB 3.28Å; N326-M328 WeakPolarHBondContact OD1-CB 3.49Å; N326-M328 WeakPolarHBondContact OD1-CG 3.38Å; N326-M328 PolarHBondContact OD1-N 3.09Å; N326-F330 PolarHBondContact ND2-O 3.31Å; N326-L331 VanDerWaalsContact ND2-CD2 3.33Å; N326-L331 WeakPolarHBondContact ND2-CD2 3.47Å
327N86.9Confident90.7Very high160 Ų16057.5 Ų57.586%0.85630%0.303SS*.  trans-105.312.1177.2-63.2-34000112.5
328M92.6Very high90.5Very high37 Ų3752.6 Ų52.618%0.18228%0.282CS..SBendtrans-89.3153-179-57.6-56.3-45.600111.1N326 F330 D351N326-M328 VanDerWaalsContact OD1-CB 3.28Å; N326-M328 WeakPolarHBondContact OD1-CB 3.49Å; N326-M328 WeakPolarHBondContact OD1-CG 3.38Å; N326-M328 PolarHBondContact OD1-N 3.09Å; M328-F330 HydrophobicContact CB-CD1 3.81Å; M328-F330 HydrophobicContact CB-CD2 4.47Å; M328-F330 HydrophobicContact CB-CE1 3.63Å; M328-F330 HydrophobicContact CB-CE2 4.29Å; M328-F330 HydrophobicContact CB-CG 4.25Å; M328-F330 HydrophobicContact CB-CZ 3.88Å; M328-F330 HydrophobicContact CE-CE1 3.88Å; M328-F330 HydrophobicContact CG-CE1 4Å; M328-F330 HydrophobicContact CG-CZ 3.93Å; M328-F330 PolarHBondContact O-N 3.02Å; M328-D351 WeakPolarHBondContact CE-OD1 3.21Å
329P94Very high90.6Very high19 Ų1951.4 Ų51.412%0.12328%0.276CS..SBendtrans-78.238174.335.6-35.7000111.2G344 D346 A347 D351P329-G344 WeakPolarHBondContact O-CA 3.47Å; P329-G344 PolarHBondContact O-N 3.27Å; P329-D346 WeakPolarHBondContact CB-OD1 3.46Å; P329-A347 HydrophobicContact CB-CB 4.3Å; P329-A347 HydrophobicContact CG-CB 4.29Å; P329-D351 HydrophobicContact CG-CB 3.77Å; P329-D351 WeakPolarHBondContact CG-OD2 3.41Å
330F95.6Very high90.7Very high3 Ų349.8 Ų49.81%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-159.3156.5175.564-100.7000111.5N326 M328 L332 V341 C342 L343 D351 R354 A355N326-F330 PolarHBondContact ND2-O 3.31Å; M328-F330 HydrophobicContact CB-CD1 3.81Å; M328-F330 HydrophobicContact CB-CD2 4.47Å; M328-F330 HydrophobicContact CB-CE1 3.63Å; M328-F330 HydrophobicContact CB-CE2 4.29Å; M328-F330 HydrophobicContact CB-CG 4.25Å; M328-F330 HydrophobicContact CB-CZ 3.88Å; M328-F330 HydrophobicContact CE-CE1 3.88Å; M328-F330 HydrophobicContact CG-CE1 4Å; M328-F330 HydrophobicContact CG-CZ 3.93Å; M328-F330 PolarHBondContact O-N 3.02Å; F330-L332 HydrophobicContact CD2-CD1 3.39Å; F330-L332 HydrophobicContact CE2-CD1 3.44Å; F330-L332 VanDerWaalsContact CE2-CD1 3.44Å; F330-V341 HydrophobicContact CB-CG1 4.39Å; F330-C342 CarbonylContact C-O 3.51Å; F330-C342 WeakPolarHBondContact CA-O 3.42Å; F330-C342 WeakPolarHBondContact CB-O 3.5Å; F330-L343 HydrophobicContact CB-CD2 3.77Å; F330-D351 HydrophobicContact CD1-CB 4.13Å; F330-D351 HydrophobicContact CE1-CB 4.32Å; F330-D351 WeakPolarHBondContact CE1-O 3.33Å; F330-R354 HydrophobicContact CE1-CB 4.18Å; F330-R354 HydrophobicContact CE1-CG 4.31Å; F330-R354 HydrophobicContact CZ-CB 4.33Å; F330-R354 HydrophobicContact CZ-CG 4.1Å; F330-A355 HydrophobicContact CD1-CB 3.9Å; F330-A355 HydrophobicContact CD2-CB 3.71Å; F330-A355 HydrophobicContact CE1-CB 3.88Å; F330-A355 HydrophobicContact CE2-CB 3.72Å; F330-A355 HydrophobicContact CG-CB 3.81Å; F330-A355 HydrophobicContact CZ-CB 3.8Å
331L95.8Very high90.9Very high5 Ų544.6 Ų44.63%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-121.9141.2173.7-57.8-178.7000110.2L309 V312 L319 A322 L323 N326 V341 C342 W422L309-L331 HydrophobicContact CD1-CD1 3.74Å; V312-L331 HydrophobicContact CG1-CB 3.98Å; L319-L331 HydrophobicContact CD1-CD1 4.07Å; A322-L331 HydrophobicContact CB-CD1 4.21Å; A322-L331 HydrophobicContact CB-CD2 4.33Å; L323-L331 HydrophobicContact CD2-CD2 4.03Å; N326-L331 VanDerWaalsContact ND2-CD2 3.33Å; N326-L331 WeakPolarHBondContact ND2-CD2 3.47Å; L331-V341 CarbonylContact O-C 3.54Å; L331-V341 WeakPolarHBondContact O-CA 3.3Å; L331-C342 HydrophobicContact CB-CB 4.45Å; L331-C342 PolarHBondContact N-O 2.97Å; L331-C342 PolarHBondContact O-N 2.97Å; L331-W422 HydrophobicContact CD1-CH2 3.72Å; L331-W422 HydrophobicContact CD1-CZ2 3.68Å; L331-W422 HydrophobicContact CG-CZ2 4.23Å
332L95.3Very high91.2Very high10 Ų1041.5 Ų41.55%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-106.6143.3169.1-86.870.5000110.2F330 I339 C340 V341 A355 Q358 A359 L383F330-L332 HydrophobicContact CD2-CD1 3.39Å; F330-L332 HydrophobicContact CE2-CD1 3.44Å; F330-L332 VanDerWaalsContact CE2-CD1 3.44Å; L332-I339 HydrophobicContact CD2-CG2 4.34Å; L332-C340 CarbonylContact C-O 3.59Å; L332-C340 WeakPolarHBondContact CA-O 3.39Å; L332-V341 HydrophobicContact CD1-CG1 4.12Å; L332-V341 HydrophobicContact CD1-CG2 4.26Å; L332-V341 HydrophobicContact CG-CG2 4.12Å; L332-A355 HydrophobicContact CD1-CB 4.38Å; L332-Q358 HydrophobicContact CD2-CB 3.92Å; L332-Q358 HydrophobicContact CD2-CG 3.73Å; L332-A359 HydrophobicContact CD2-CB 4.23Å; L332-L383 HydrophobicContact CB-CD2 3.82Å; L332-L383 HydrophobicContact CD2-CD2 4.33Å
333G94.3Very high91.4Very high0 Ų041.1 Ų41.10%022%0.221CC..EExtended strand (participates in β ladder)trans-140.4157.6170.300000110.8C340G333-C340 PolarHBondContact N-O 3.43Å; G333-C340 PolarHBondContact O-N 3.39Å
334I92.3Very high91.6Very high29 Ų2938 Ų3815%0.14921%0.205CC..EExtended strand (participates in β ladder)trans-116.9121.8175-59.6162.1000107.9C338 I339 V362 L366 L379 L383I334-C338 WeakPolarHBondContact CA-O 3.43Å; I334-I339 HydrophobicContact CG1-CG1 4.46Å; I334-V362 HydrophobicContact CD1-CG1 3.76Å; I334-V362 HydrophobicContact CG1-CG1 4.26Å; I334-L366 HydrophobicContact CD1-CD1 4.04Å; I334-L366 HydrophobicContact CG1-CD1 4.38Å; I334-L366 HydrophobicContact CG2-CD1 4.14Å; I334-L379 HydrophobicContact CB-CD1 4.31Å; I334-L379 HydrophobicContact CD1-CB 4.17Å; I334-L379 HydrophobicContact CD1-CD2 3.92Å; I334-L379 HydrophobicContact CG2-CD1 4.16Å; I334-L379 HydrophobicContact CG2-CD2 4.17Å; I334-L383 HydrophobicContact CD1-CD1 4.28Å; I334-L383 HydrophobicContact CD1-CD2 4.04Å; I334-L383 HydrophobicContact CD1-CG 3.95Å; I334-L383 HydrophobicContact CG1-CD1 4.26Å; I334-L383 HydrophobicContact CG1-CD2 4.14Å; I334-L383 HydrophobicContact CG1-CG 4.31Å
335R87.6Confident91.9Very high37 Ų3736.9 Ų36.914%0.1421%0.208CC..EExtended strand (participates in β ladder)trans-149.2135.6-177-172165.7-70.9-172.11112.5Q310 Q314 E318 G337 C338Q310-R335 PolarHBondContact O-NH1 3.41Å; Q314-R335 VanDerWaalsContact CD-CZ 3.47Å; E318-R335 IonicContact OE2-NH2 3.71Å; E318-R335 PolarHBondContact OE2-NH2 2.73Å; E318-R335 VanDerWaalsContact OE2-NH2 3.1Å; R335-G337 PolarHBondContact O-N 3.09Å; R335-G337 VanDerWaalsContact O-N 3.15Å; R335-C338 PolarHBondContact N-O 2.6Å; R335-C338 WeakPolarHBondContact O-CA 3.17Å; R335-C338 WeakPolarHBondContact O-CB 3.42Å; R335-C338 PolarHBondContact O-N 2.88Å
336N84.3Confident92.3Very high157 Ų15736.4 Ų36.484%0.8421%0.209SC*.THydrogen-bonded Turntrans50.238.8179.3-59.5-22.8000112.6C338N336-C338 PolarHBondContact O-N 2.74Å
337G82.8Confident92.7Very high52 Ų5236.4 Ų36.454%0.53621%0.212SC..THydrogen-bonded Turntrans66.519.7-176.500000114.7T301 P302 R335T301-G337 WeakPolarHBondContact CG2-O 3.35Å; P302-G337 WeakPolarHBondContact CD-O 3.42Å; R335-G337 PolarHBondContact O-N 3.09Å; R335-G337 VanDerWaalsContact O-N 3.15Å
338C89.4Confident93.1Very high20 Ų2031.2 Ų31.214%0.13519%0.189CC..EExtended strand (participates in β ladder)trans-117.2147.9173.7-56.30000110P302 I334 R335 N336P302-C338 HydrophobicContact CG-CB 4.21Å; P302-C338 VanDerWaalsContact CG-SG 3.59Å; P302-C338 WeakPolarHBondContact O-CA 3.33Å; I334-C338 WeakPolarHBondContact CA-O 3.43Å; R335-C338 PolarHBondContact N-O 2.6Å; R335-C338 WeakPolarHBondContact O-CA 3.17Å; R335-C338 WeakPolarHBondContact O-CB 3.42Å; R335-C338 PolarHBondContact O-N 2.88Å; N336-C338 PolarHBondContact O-N 2.74Å
339I93.9Very high93.2Very high0 Ų031.6 Ų31.60%019%0.193CC..EExtended strand (participates in β ladder)trans-94.7122.3169-57.5166000107.4T301 P302 V303 K304 L332 I334 A359 V362 L366T301-I339 HydrophobicContact CG2-CD1 4.17Å; T301-I339 HydrophobicContact CG2-CG1 3.95Å; P302-I339 PolarHBondContact O-N 3.25Å; V303-I339 CarbonylContact C-O 3.58Å; V303-I339 WeakPolarHBondContact CA-O 3.48Å; V303-I339 HydrophobicContact CG2-CB 4.32Å; V303-I339 HydrophobicContact CG2-CD1 4.32Å; K304-I339 PolarHBondContact N-O 3.22Å; L332-I339 HydrophobicContact CD2-CG2 4.34Å; I334-I339 HydrophobicContact CG1-CG1 4.46Å; I339-A359 VanDerWaalsContact CD1-O 3.29Å; I339-A359 WeakPolarHBondContact CD1-O 3.28Å; I339-A359 HydrophobicContact CG2-CB 3.86Å; I339-V362 HydrophobicContact CD1-CB 3.95Å; I339-V362 HydrophobicContact CD1-CG1 3.73Å; I339-V362 HydrophobicContact CG1-CG1 4.15Å; I339-L366 HydrophobicContact CD1-CD1 4.31Å; I339-L366 HydrophobicContact CG1-CD1 4.23Å
340C95.8Very high93.3Very high7 Ų736.1 Ų36.15%0.04721%0.207CC..EExtended strand (participates in β ladder)trans-107.8127-176-73.80000109.1V307 V312 L332 G333V307-C340 HydrophobicContact CG2-CB 3.77Å; V312-C340 HydrophobicContact CG2-CB 3.89Å; L332-C340 CarbonylContact C-O 3.59Å; L332-C340 WeakPolarHBondContact CA-O 3.39Å; G333-C340 PolarHBondContact N-O 3.43Å; G333-C340 PolarHBondContact O-N 3.39Å
341V96.7Very high93.3Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-114.2113.6175-173.50000109.1V303 K304 L305 G306 V307 F330 L331 L332 L343 A355 A359V303-V341 HydrophobicContact CG1-CG2 4.24Å; K304-V341 PolarHBondContact O-N 2.87Å; L305-V341 HydrophobicContact CD1-CB 3.63Å; L305-V341 HydrophobicContact CD1-CG1 3.51Å; L305-V341 HydrophobicContact CD1-CG2 4.17Å; G306-V341 PolarHBondContact N-O 3.48Å; V307-V341 WeakPolarHBondContact CG2-O 3.44Å; V307-V341 PolarHBondContact N-O 3.37Å; F330-V341 HydrophobicContact CB-CG1 4.39Å; L331-V341 CarbonylContact O-C 3.54Å; L331-V341 WeakPolarHBondContact O-CA 3.3Å; L332-V341 HydrophobicContact CD1-CG1 4.12Å; L332-V341 HydrophobicContact CD1-CG2 4.26Å; L332-V341 HydrophobicContact CG-CG2 4.12Å; V341-L343 HydrophobicContact CG1-CD2 3.98Å; V341-L343 HydrophobicContact CG1-CG 4.45Å; V341-A355 HydrophobicContact CG1-CB 3.67Å; V341-A359 HydrophobicContact CG2-CB 4.43Å
342C96.6Very high93.3Very high1 Ų137.3 Ų37.31%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-94.6122.1171.9-171.20000108.8V307 V312 F330 L331V307-C342 HydrophobicContact CG2-CB 4.47Å; V307-C342 PolarHBondContact O-SG 3.43Å; V307-C342 VanDerWaalsContact O-SG 3.34Å; V312-C342 HydrophobicContact CG2-CB 3.75Å; F330-C342 CarbonylContact C-O 3.51Å; F330-C342 WeakPolarHBondContact CA-O 3.42Å; F330-C342 WeakPolarHBondContact CB-O 3.5Å; L331-C342 HydrophobicContact CB-CB 4.45Å; L331-C342 PolarHBondContact N-O 2.97Å; L331-C342 PolarHBondContact O-N 2.97Å
343L96.5Very high93.3Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-98.1141.7-176.5-66.4175.1000110.9L305 F330 V341 A347 E352 R419 V420L305-L343 HydrophobicContact CD1-CD1 3.82Å; L305-L343 HydrophobicContact CD1-CD2 3.94Å; L305-L343 HydrophobicContact CD1-CG 3.97Å; L305-L343 HydrophobicContact CG-CD1 4.07Å; F330-L343 HydrophobicContact CB-CD2 3.77Å; V341-L343 HydrophobicContact CG1-CD2 3.98Å; V341-L343 HydrophobicContact CG1-CG 4.45Å; L343-A347 HydrophobicContact CB-CB 4.27Å; L343-A347 HydrophobicContact CD2-CB 4.28Å; L343-E352 HydrophobicContact CD1-CG 4.28Å; L343-R419 CarbonylContact O-C 3.52Å; L343-R419 VanDerWaalsContact O-CA 3.26Å; L343-R419 WeakPolarHBondContact O-CA 3.35Å; L343-V420 PolarHBondContact O-N 3.42Å
344G95.3Very high93.5Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-72.4157.7168.800000112P329 D346 A347 V420P329-G344 WeakPolarHBondContact O-CA 3.47Å; P329-G344 PolarHBondContact O-N 3.27Å; G344-D346 PolarHBondContact O-N 3.1Å; G344-A347 VanDerWaalsContact O-CB 3.3Å; G344-A347 WeakPolarHBondContact O-CB 3.43Å; G344-A347 PolarHBondContact O-N 3.22Å; G344-V420 WeakPolarHBondContact CA-O 3.31Å
345T94Very high93.6Very high90 Ų9036.3 Ų36.355%0.55221%0.207SC*.THydrogen-bonded Turntrans-63.4-21.3175.347.60000113.5R419 V420 E421T345-R419 HydrophobicContact CG2-CB 3.86Å; T345-V420 PolarHBondContact N-O 3.22Å; T345-E421 HydrophobicContact CG2-CB 4.05Å
346D92.4Very high94Very high116 Ų11634.9 Ų34.962%0.6220%0.202SC*.THydrogen-bonded Turntrans-96.12.2178.563.5-32.6000113.8P329 G344 S348P329-D346 WeakPolarHBondContact CB-OD1 3.46Å; G344-D346 PolarHBondContact O-N 3.1Å; D346-S348 PolarHBondContact O-N 2.87Å
347A94.4Very high94.6Very high21 Ų2127.4 Ų27.417%0.17416%0.162CC..  trans-62.9123.2-179.200000111.5P329 L343 G344 D351P329-A347 HydrophobicContact CB-CB 4.3Å; P329-A347 HydrophobicContact CG-CB 4.29Å; L343-A347 HydrophobicContact CB-CB 4.27Å; L343-A347 HydrophobicContact CD2-CB 4.28Å; G344-A347 VanDerWaalsContact O-CB 3.3Å; G344-A347 WeakPolarHBondContact O-CB 3.43Å; G344-A347 PolarHBondContact O-N 3.22Å; A347-D351 HydrophobicContact CB-CB 4.42Å
348S95.1Very high95.2Very high52 Ų5225.3 Ų25.336%0.36414%0.138SC..  trans-88167.8175.572.10000111.9D346 R350 D351 E352D346-S348 PolarHBondContact O-N 2.87Å; S348-R350 PolarHBondContact O-N 2.95Å; S348-R350 VanDerWaalsContact O-N 3.16Å; S348-R350 PolarHBondContact OG-N 3.17Å; S348-D351 WeakPolarHBondContact CB-OD2 3.49Å; S348-D351 PolarHBondContact N-OD2 2.91Å; S348-D351 WeakPolarHBondContact O-CA 3.49Å; S348-D351 WeakPolarHBondContact O-CB 3.36Å; S348-D351 PolarHBondContact O-N 3.12Å; S348-D351 PolarHBondContact OG-N 3.24Å; S348-D351 PolarHBondContact OG-OD2 2.93Å; S348-E352 PolarHBondContact O-N 2.94Å
349V94.6Very high95.4Very high44 Ų4424.3 Ų24.327%0.26713%0.132SC..Hα-helixtrans-56.1-33.6172.9-179.50000112D351 E352 I353 T411V349-D351 VanDerWaalsContact C-N 3.3Å; V349-D351 PolarHBondContact O-N 3.2Å; V349-E352 PolarHBondContact O-N 3.08Å; V349-I353 HydrophobicContact CG1-CD1 4.21Å; V349-I353 VanDerWaalsContact O-CG1 3.3Å; V349-I353 WeakPolarHBondContact O-CG1 3.41Å; V349-I353 PolarHBondContact O-N 2.76Å; V349-T411 HydrophobicContact CG1-CG2 3.57Å
350R95.9Very high95.3Very high115 Ų11525 Ų2543%0.43414%0.137SC..Hα-helixtrans-62-39.8173.1172.5175176.2-118.62.4111.7S348 R354 F394 L398S348-R350 PolarHBondContact O-N 2.95Å; S348-R350 VanDerWaalsContact O-N 3.16Å; S348-R350 PolarHBondContact OG-N 3.17Å; R350-R354 WeakPolarHBondContact O-CB 3.31Å; R350-R354 PolarHBondContact O-N 3.23Å; R350-F394 HydrophobicContact CG-CE1 3.91Å; R350-F394 HydrophobicContact CG-CZ 4.27Å; R350-F394 WeakPolarHBondContact O-CZ 3.37Å; R350-L398 HydrophobicContact CG-CD2 3.73Å
351D95.7Very high95.1Very high17 Ų1724.9 Ų24.99%0.09114%0.137CC..Hα-helixtrans-72.4-36.3179.1-56.7-55.7000111.3M328 P329 F330 A347 S348 V349 R354 A355M328-D351 WeakPolarHBondContact CE-OD1 3.21Å; P329-D351 HydrophobicContact CG-CB 3.77Å; P329-D351 WeakPolarHBondContact CG-OD2 3.41Å; F330-D351 HydrophobicContact CD1-CB 4.13Å; F330-D351 HydrophobicContact CE1-CB 4.32Å; F330-D351 WeakPolarHBondContact CE1-O 3.33Å; A347-D351 HydrophobicContact CB-CB 4.42Å; S348-D351 WeakPolarHBondContact CB-OD2 3.49Å; S348-D351 PolarHBondContact N-OD2 2.91Å; S348-D351 WeakPolarHBondContact O-CA 3.49Å; S348-D351 WeakPolarHBondContact O-CB 3.36Å; S348-D351 PolarHBondContact O-N 3.12Å; S348-D351 PolarHBondContact OG-N 3.24Å; S348-D351 PolarHBondContact OG-OD2 2.93Å; V349-D351 VanDerWaalsContact C-N 3.3Å; V349-D351 PolarHBondContact O-N 3.2Å; D351-R354 WeakPolarHBondContact O-CB 3.39Å; D351-R354 PolarHBondContact O-N 3.41Å; D351-A355 WeakPolarHBondContact O-CB 3.39Å; D351-A355 PolarHBondContact O-N 3.05Å
352E95.6Very high94.9Very high16 Ų1624.9 Ų24.98%0.07514%0.137CC..Hα-helixtrans-60.2-49.2171.6-65174.3177.700111.8L343 S348 V349 R354 A355 M356 T411L343-E352 HydrophobicContact CD1-CG 4.28Å; S348-E352 PolarHBondContact O-N 2.94Å; V349-E352 PolarHBondContact O-N 3.08Å; E352-R354 VanDerWaalsContact C-N 3.26Å; E352-R354 PolarHBondContact O-N 3.19Å; E352-A355 PolarHBondContact O-N 3.24Å; E352-M356 WeakPolarHBondContact O-CB 3.48Å; E352-M356 WeakPolarHBondContact O-CG 3.36Å; E352-M356 PolarHBondContact O-N 2.85Å; E352-T411 PolarHBondContact OE2-OG1 3.16Å
353I96.8Very high94.6Very high2 Ų225.4 Ų25.41%0.0114%0.14CC..Hα-helixtrans-59-42.7175.9-65.8168.6000109.6L268 V349 M356 C357 F394 T411L268-I353 HydrophobicContact CD1-CG2 4.13Å; V349-I353 HydrophobicContact CG1-CD1 4.21Å; V349-I353 VanDerWaalsContact O-CG1 3.3Å; V349-I353 WeakPolarHBondContact O-CG1 3.41Å; V349-I353 PolarHBondContact O-N 2.76Å; I353-M356 PolarHBondContact O-N 2.91Å; I353-C357 WeakPolarHBondContact O-CB 3.38Å; I353-C357 PolarHBondContact O-N 3.5Å; I353-C357 PolarHBondContact O-SG 3.38Å; I353-F394 HydrophobicContact CG2-CE2 4.1Å; I353-F394 HydrophobicContact CG2-CZ 4.32Å; I353-T411 HydrophobicContact CD1-CG2 3.93Å; I353-T411 HydrophobicContact CG1-CG2 3.56Å
354R96.8Very high94Very high15 Ų1529.7 Ų29.76%0.05716%0.163CC..Hα-helixtrans-63.2-47.9178.8-169.6173.6170.2136.83.8112.4F330 R350 D351 E352 M356 C357 Q358 D391 F394F330-R354 HydrophobicContact CE1-CB 4.18Å; F330-R354 HydrophobicContact CE1-CG 4.31Å; F330-R354 HydrophobicContact CZ-CB 4.33Å; F330-R354 HydrophobicContact CZ-CG 4.1Å; R350-R354 WeakPolarHBondContact O-CB 3.31Å; R350-R354 PolarHBondContact O-N 3.23Å; D351-R354 WeakPolarHBondContact O-CB 3.39Å; D351-R354 PolarHBondContact O-N 3.41Å; E352-R354 VanDerWaalsContact C-N 3.26Å; E352-R354 PolarHBondContact O-N 3.19Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 2.81Å; R354-C357 WeakPolarHBondContact O-CB 3.45Å; R354-C357 PolarHBondContact O-N 2.94Å; R354-Q358 PolarHBondContact O-N 3.38Å; R354-D391 IonicContact CZ-OD1 2.74Å; R354-D391 IonicContact NH2-OD1 3.08Å; R354-D391 PolarHBondContact NH2-OD1 2.83Å; R354-F394 HydrophobicContact CB-CD1 4.12Å; R354-F394 HydrophobicContact CB-CD2 4.05Å; R354-F394 HydrophobicContact CB-CE1 3.67Å; R354-F394 HydrophobicContact CB-CE2 3.63Å; R354-F394 HydrophobicContact CB-CG 4.29Å; R354-F394 HydrophobicContact CB-CZ 3.42Å; R354-F394 VanDerWaalsContact CB-CZ 3.42Å; R354-F394 HydrophobicContact CG-CB 4.49Å; R354-F394 HydrophobicContact CG-CD1 3.8Å; R354-F394 HydrophobicContact CG-CD2 3.82Å; R354-F394 HydrophobicContact CG-CE1 3.9Å; R354-F394 HydrophobicContact CG-CE2 3.94Å; R354-F394 HydrophobicContact CG-CG 3.76Å; R354-F394 HydrophobicContact CG-CZ 3.98Å
355A96.4Very high93.6Very high0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-61.6-42179.900000110.9F330 L332 V341 D351 E352 Q358 A359F330-A355 HydrophobicContact CD1-CB 3.9Å; F330-A355 HydrophobicContact CD2-CB 3.71Å; F330-A355 HydrophobicContact CE1-CB 3.88Å; F330-A355 HydrophobicContact CE2-CB 3.72Å; F330-A355 HydrophobicContact CG-CB 3.81Å; F330-A355 HydrophobicContact CZ-CB 3.8Å; L332-A355 HydrophobicContact CD1-CB 4.38Å; V341-A355 HydrophobicContact CG1-CB 3.67Å; D351-A355 WeakPolarHBondContact O-CB 3.39Å; D351-A355 PolarHBondContact O-N 3.05Å; E352-A355 PolarHBondContact O-N 3.24Å; A355-Q358 WeakPolarHBondContact O-CB 3.3Å; A355-Q358 PolarHBondContact O-N 2.91Å; A355-A359 WeakPolarHBondContact O-CB 3.49Å; A355-A359 PolarHBondContact O-N 3.5Å
356M95.6Very high93.1Very high7 Ų729.5 Ų29.53%0.03416%0.158CC..Hα-helixtrans-71.5-32.3176.8-70.4-61.3-67.200113.2E265 L268 V303 L305 E352 I353 R354 A359 A360 L413E265-M356 HydrophobicContact CB-CE 4.46Å; E265-M356 HydrophobicContact CG-CE 4.04Å; L268-M356 HydrophobicContact CD2-CB 3.38Å; V303-M356 HydrophobicContact CB-CE 4.08Å; V303-M356 HydrophobicContact CB-SD 4.49Å; V303-M356 HydrophobicContact CG1-CE 3.76Å; V303-M356 HydrophobicContact CG1-SD 3.53Å; V303-M356 VanDerWaalsContact CG1-SD 3.53Å; L305-M356 HydrophobicContact CB-SD 4.11Å; L305-M356 HydrophobicContact CD1-CG 4.42Å; L305-M356 HydrophobicContact CD1-SD 4.27Å; L305-M356 HydrophobicContact CD2-CG 3.86Å; L305-M356 HydrophobicContact CD2-SD 4.08Å; L305-M356 HydrophobicContact CG-SD 4.4Å; E352-M356 WeakPolarHBondContact O-CB 3.48Å; E352-M356 WeakPolarHBondContact O-CG 3.36Å; E352-M356 PolarHBondContact O-N 2.85Å; I353-M356 PolarHBondContact O-N 2.91Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 2.81Å; M356-A359 PolarHBondContact O-N 3.01Å; M356-A360 WeakPolarHBondContact O-CB 3.33Å; M356-A360 PolarHBondContact O-N 2.93Å; M356-L413 HydrophobicContact CB-CD1 4.24Å; M356-L413 HydrophobicContact CB-CD2 4.29Å; M356-L413 HydrophobicContact CE-CD2 4.29Å; M356-L413 HydrophobicContact CG-CB 4.33Å; M356-L413 HydrophobicContact CG-CD1 3.88Å; M356-L413 HydrophobicContact CG-CD2 4.11Å; M356-L413 HydrophobicContact CG-CG 4.31Å
357C95.9Very high92.3Very high0 Ų026.6 Ų26.60%015%0.147CC..Hα-helixtrans-61.5-47.5169.3-71.70000110.8M272 I353 R354 A359 A360 C361 M390 F397M272-C357 HydrophobicContact CE-CB 4.23Å; M272-C357 HydrophobicContact CG-CB 4.38Å; M272-C357 HydrophobicContact SD-CB 4.21Å; I353-C357 WeakPolarHBondContact O-CB 3.38Å; I353-C357 PolarHBondContact O-N 3.5Å; I353-C357 PolarHBondContact O-SG 3.38Å; R354-C357 WeakPolarHBondContact O-CB 3.45Å; R354-C357 PolarHBondContact O-N 2.94Å; C357-A359 PolarHBondContact O-N 2.93Å; C357-A360 PolarHBondContact O-N 3.45Å; C357-C361 PolarHBondContact O-N 3.46Å; C357-C361 PolarHBondContact O-SG 3.14Å; C357-M390 HydrophobicContact CB-SD 3.91Å; C357-F397 VanDerWaalsContact SG-CE1 3.51Å
358Q95.6Very high91Very high8 Ų828.5 Ų28.54%0.03716%0.158CC..Hα-helixtrans-59.5-47.6176.7-166.8179.6-12.100110.9L332 R354 A355 A360 C361 V362 L383 S386 M390L332-Q358 HydrophobicContact CD2-CB 3.92Å; L332-Q358 HydrophobicContact CD2-CG 3.73Å; R354-Q358 PolarHBondContact O-N 3.38Å; A355-Q358 WeakPolarHBondContact O-CB 3.3Å; A355-Q358 PolarHBondContact O-N 2.91Å; Q358-A360 VanDerWaalsContact C-N 3.33Å; Q358-A360 PolarHBondContact O-N 2.94Å; Q358-C361 WeakPolarHBondContact O-CB 3.35Å; Q358-C361 PolarHBondContact O-N 3.38Å; Q358-C361 VanDerWaalsContact O-N 3.13Å; Q358-V362 WeakPolarHBondContact O-CG2 3.13Å; Q358-V362 PolarHBondContact O-N 2.97Å; Q358-L383 PolarHBondContact NE2-O 3.42Å; Q358-S386 VanDerWaalsContact CG-OG 3.31Å; Q358-S386 WeakPolarHBondContact CG-OG 3.5Å; Q358-S386 PolarHBondContact NE2-OG 3.3Å; Q358-M390 HydrophobicContact CB-CG 3.73Å; Q358-M390 HydrophobicContact CB-SD 4.42Å; Q358-M390 HydrophobicContact CG-CG 3.95Å
359A94.8Very high89.3Confident0 Ų031.4 Ų31.40%018%0.176CC..Hα-helixtrans-60.8-39.7178.100000112.3V303 L332 I339 V341 A355 M356 C357 C361 V362 S363V303-A359 HydrophobicContact CB-CB 4.49Å; V303-A359 HydrophobicContact CG1-CB 3.61Å; V303-A359 HydrophobicContact CG2-CB 3.99Å; L332-A359 HydrophobicContact CD2-CB 4.23Å; I339-A359 VanDerWaalsContact CD1-O 3.29Å; I339-A359 WeakPolarHBondContact CD1-O 3.28Å; I339-A359 HydrophobicContact CG2-CB 3.86Å; V341-A359 HydrophobicContact CG2-CB 4.43Å; A355-A359 WeakPolarHBondContact O-CB 3.49Å; A355-A359 PolarHBondContact O-N 3.5Å; M356-A359 PolarHBondContact O-N 3.01Å; C357-A359 PolarHBondContact O-N 2.93Å; A359-C361 VanDerWaalsContact C-N 3.34Å; A359-C361 PolarHBondContact O-N 2.97Å; A359-V362 PolarHBondContact O-N 2.73Å; A359-S363 VanDerWaalsContact O-CB 3.29Å; A359-S363 WeakPolarHBondContact O-CB 3.44Å; A359-S363 PolarHBondContact O-N 2.99Å
360A91.8Very high87.5Confident13 Ų1335.3 Ų35.311%0.10720%0.2CC..Hα-helixtrans-63.9-38.1175.300000112.3M356 C357 Q358 S363 N364M356-A360 WeakPolarHBondContact O-CB 3.33Å; M356-A360 PolarHBondContact O-N 2.93Å; C357-A360 PolarHBondContact O-N 3.45Å; Q358-A360 VanDerWaalsContact C-N 3.33Å; Q358-A360 PolarHBondContact O-N 2.94Å; A360-S363 PolarHBondContact O-N 3.3Å; A360-N364 PolarHBondContact O-N 3.17Å; A360-N364 VanDerWaalsContact O-N 3.08Å
361C91.1Very high85.5Confident6 Ų630.7 Ų30.74%0.04119%0.186CC..Hα-helixtrans-64-47.6174.9-59.60000111.2M272 L276 C357 Q358 A359 N364 I365M272-C361 WeakPolarHBondContact CE-SG 3.47Å; L276-C361 VanDerWaalsContact CD1-SG 3.56Å; C357-C361 PolarHBondContact O-N 3.46Å; C357-C361 PolarHBondContact O-SG 3.14Å; Q358-C361 WeakPolarHBondContact O-CB 3.35Å; Q358-C361 PolarHBondContact O-N 3.38Å; Q358-C361 VanDerWaalsContact O-N 3.13Å; A359-C361 VanDerWaalsContact C-N 3.34Å; A359-C361 PolarHBondContact O-N 2.97Å; C361-N364 PolarHBondContact O-N 3.06Å; C361-I365 WeakPolarHBondContact O-CG1 3.4Å; C361-I365 PolarHBondContact O-N 3.12Å; C361-I365 VanDerWaalsContact O-N 3.12Å
362V92.1Very high83.4Confident0 Ų036.4 Ų36.40%022%0.216CC..Hα-helixtrans-62-44177.7174.30000110.7I334 I339 Q358 A359 N364 I365 L366 I382 L383 S386I334-V362 HydrophobicContact CD1-CG1 3.76Å; I334-V362 HydrophobicContact CG1-CG1 4.26Å; I339-V362 HydrophobicContact CD1-CB 3.95Å; I339-V362 HydrophobicContact CD1-CG1 3.73Å; I339-V362 HydrophobicContact CG1-CG1 4.15Å; Q358-V362 WeakPolarHBondContact O-CG2 3.13Å; Q358-V362 PolarHBondContact O-N 2.97Å; A359-V362 PolarHBondContact O-N 2.73Å; V362-N364 VanDerWaalsContact C-N 3.29Å; V362-N364 PolarHBondContact O-N 3.1Å; V362-I365 PolarHBondContact O-N 3.26Å; V362-I365 VanDerWaalsContact O-N 3.13Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.22Å; V362-L366 WeakPolarHBondContact O-CG 3.5Å; V362-L366 PolarHBondContact O-N 2.78Å; V362-I382 HydrophobicContact CG1-CG2 4.19Å; V362-I382 HydrophobicContact CG2-CG2 4.41Å; V362-L383 HydrophobicContact CG1-CD2 4.36Å; V362-L383 HydrophobicContact CG2-CD2 4.08Å; V362-S386 WeakPolarHBondContact CG2-OG 3.36Å
363S89.6Confident81.4Confident12 Ų1245.2 Ų45.28%0.08425%0.254CS..Hα-helixtrans-58.5-41.2177.5-172.30000111.7T301 A359 A360 L366 S367T301-S363 WeakPolarHBondContact CB-OG 3.48Å; T301-S363 PolarHBondContact O-OG 2.95Å; T301-S363 VanDerWaalsContact O-OG 3.1Å; A359-S363 VanDerWaalsContact O-CB 3.29Å; A359-S363 WeakPolarHBondContact O-CB 3.44Å; A359-S363 PolarHBondContact O-N 2.99Å; A360-S363 PolarHBondContact O-N 3.3Å; S363-L366 PolarHBondContact O-N 3.05Å; S363-S367 WeakPolarHBondContact O-CB 3.48Å; S363-S367 PolarHBondContact O-N 3.46Å; S363-S367 PolarHBondContact O-OG 3.32Å
364N84.8Confident79.6Confident89 Ų8946.8 Ų46.848%0.47627%0.265SS..Hα-helixtrans-66.1-38.7177-166.837.8000112.4A360 C361 V362 S367A360-N364 PolarHBondContact O-N 3.17Å; A360-N364 VanDerWaalsContact O-N 3.08Å; C361-N364 PolarHBondContact O-N 3.06Å; V362-N364 VanDerWaalsContact C-N 3.29Å; V362-N364 PolarHBondContact O-N 3.1Å; N364-S367 PolarHBondContact O-N 3.39Å
365I85.8Confident78Confident68 Ų6849.9 Ų49.935%0.34929%0.286SS..Hα-helixtrans-64.8-46.5175-65.8164.8000110.6C361 V362 S367 C368 A371 I382C361-I365 WeakPolarHBondContact O-CG1 3.4Å; C361-I365 PolarHBondContact O-N 3.12Å; C361-I365 VanDerWaalsContact O-N 3.12Å; V362-I365 PolarHBondContact O-N 3.26Å; V362-I365 VanDerWaalsContact O-N 3.13Å; I365-S367 VanDerWaalsContact C-N 3.28Å; I365-S367 PolarHBondContact O-N 2.89Å; I365-C368 VanDerWaalsContact O-CB 3.3Å; I365-C368 WeakPolarHBondContact O-CB 3.42Å; I365-C368 PolarHBondContact O-N 3.43Å; I365-A371 WeakPolarHBondContact O-CB 3.46Å; I365-I382 HydrophobicContact CD1-CG2 4.25Å; I365-I382 HydrophobicContact CG2-CD1 4.34Å; I365-I382 HydrophobicContact CG2-CG2 4.22Å
366L83.5Confident76.4Confident18 Ų1856 Ų569%0.09431%0.314CS..Hα-helixtrans-69.1-24.8-179.3-67.2176.7000113.4T301 I334 I339 V362 S363 C368 L372 L379 I382T301-L366 HydrophobicContact CG2-CD1 4.06Å; I334-L366 HydrophobicContact CD1-CD1 4.04Å; I334-L366 HydrophobicContact CG1-CD1 4.38Å; I334-L366 HydrophobicContact CG2-CD1 4.14Å; I339-L366 HydrophobicContact CD1-CD1 4.31Å; I339-L366 HydrophobicContact CG1-CD1 4.23Å; V362-L366 HydrophobicContact CG1-CD1 3.84Å; V362-L366 HydrophobicContact CG1-CG 4.22Å; V362-L366 WeakPolarHBondContact O-CG 3.5Å; V362-L366 PolarHBondContact O-N 2.78Å; S363-L366 PolarHBondContact O-N 3.05Å; L366-C368 PolarHBondContact O-N 3.27Å; L366-L372 WeakPolarHBondContact O-CD1 3.39Å; L366-L379 HydrophobicContact CD2-CD2 4.06Å; L366-I382 HydrophobicContact CD2-CD1 4.34Å
367S76.6Confident75.1Confident55 Ų5562.4 Ų62.439%0.38535%0.345SS..THydrogen-bonded Turntrans-70.9-10175.2-61.10000112.9S363 N364 I365S363-S367 WeakPolarHBondContact O-CB 3.48Å; S363-S367 PolarHBondContact O-N 3.46Å; S363-S367 PolarHBondContact O-OG 3.32Å; N364-S367 PolarHBondContact O-N 3.39Å; I365-S367 VanDerWaalsContact C-N 3.28Å; I365-S367 PolarHBondContact O-N 2.89Å
368C67.8Low74.4Confident61 Ų6165.7 Ų65.741%0.41236%0.362SS..SBendtrans-78.8127.2175.6-163.40000111.1I365 L366 T370 A371I365-C368 VanDerWaalsContact O-CB 3.3Å; I365-C368 WeakPolarHBondContact O-CB 3.42Å; I365-C368 PolarHBondContact O-N 3.43Å; L366-C368 PolarHBondContact O-N 3.27Å; C368-T370 PolarHBondContact O-N 2.92Å; C368-T370 PolarHBondContact SG-OG1 3.49Å; C368-T370 VanDerWaalsContact SG-OG1 3.38Å; C368-A371 WeakPolarHBondContact O-CB 3.44Å; C368-A371 PolarHBondContact O-N 3.24Å
369P57.8Low74Confident114 Ų11466.8 Ų66.874%0.7437%0.368SS*.THydrogen-bonded Turntrans-56.6-25.2-175-2632.9000115.4
370T56.8Low73.7Confident125 Ų12568 Ų6877%0.76737%0.372SS*.THydrogen-bonded Turntrans-74.6-22.4177.543.10000113.4C368C368-T370 PolarHBondContact O-N 2.92Å; C368-T370 PolarHBondContact SG-OG1 3.49Å; C368-T370 VanDerWaalsContact SG-OG1 3.38Å
371A53.9Low73.6Confident19 Ų1972.5 Ų72.516%0.15739%0.392CS..G310 helixtrans-82.8-21.4-177.600000113.5I365 C368 K373 S374I365-A371 WeakPolarHBondContact O-CB 3.46Å; C368-A371 WeakPolarHBondContact O-CB 3.44Å; C368-A371 PolarHBondContact O-N 3.24Å; A371-K373 PolarHBondContact O-N 3.1Å; A371-S374 VanDerWaalsContact O-CB 3.29Å; A371-S374 WeakPolarHBondContact O-CB 3.39Å; A371-S374 PolarHBondContact O-N 3.45Å; A371-S374 VanDerWaalsContact O-N 3.13Å; A371-S374 PolarHBondContact O-OG 3.35Å; A371-S374 VanDerWaalsContact O-OG 3.12Å
372L52.1Low73.5Confident136 Ų13673.7 Ų73.771%0.71240%0.397SS*.G310 helixtrans-67.5-5.2-174.4-101.8103.6000115.7L366L366-L372 WeakPolarHBondContact O-CD1 3.39Å
373K54Low73.5Confident201 Ų20174 Ų7487%0.87440%0.399SS*.G310 helixtrans-10116174.7-64.7-176.3179.6179.90113.1A371A371-K373 PolarHBondContact O-N 3.1Å
374S59.6Low73.7Confident35 Ų3575.1 Ų75.125%0.24540%0.402CS..  trans-70.5133.8-17657.20000112.9A371 L379A371-S374 VanDerWaalsContact O-CB 3.29Å; A371-S374 WeakPolarHBondContact O-CB 3.39Å; A371-S374 PolarHBondContact O-N 3.45Å; A371-S374 VanDerWaalsContact O-N 3.13Å; A371-S374 PolarHBondContact O-OG 3.35Å; A371-S374 VanDerWaalsContact O-OG 3.12Å; S374-L379 WeakPolarHBondContact OG-CD2 3.37Å
375T63.4Low74Confident80 Ų8075.6 Ų75.649%0.49140%0.402SS..  trans-68.9163.8166.854.70000110.9Q377 N378 L379T375-Q377 PolarHBondContact O-N 2.74Å; T375-N378 WeakPolarHBondContact O-CB 3.5Å; T375-N378 PolarHBondContact O-N 2.99Å; T375-N378 VanDerWaalsContact O-N 3.07Å; T375-N378 VanDerWaalsContact OG1-CG 3.26Å; T375-N378 PolarHBondContact OG1-N 2.85Å; T375-N378 PolarHBondContact OG1-OD1 3.24Å; T375-L379 PolarHBondContact O-N 2.9Å
376Q62.7Low74.3Confident128 Ų12872.4 Ų72.460%0.59839%0.386SS*.Hα-helixtrans-55-36174.5-87.2-173.5-47.700112.8E318 N378 L379 W380E318-Q376 PolarHBondContact OE1-NE2 2.95Å; E318-Q376 VanDerWaalsContact OE1-NE2 3.14Å; Q376-N378 PolarHBondContact O-N 3.03Å; Q376-L379 WeakPolarHBondContact O-CB 3.43Å; Q376-L379 PolarHBondContact O-N 3.13Å; Q376-L379 VanDerWaalsContact O-N 3.17Å; Q376-W380 VanDerWaalsContact O-CD1 3.28Å; Q376-W380 PolarHBondContact O-N 2.67Å
377Q67.4Low74.8Confident143 Ų14372.2 Ų72.267%0.66838%0.384SS*.Hα-helixtrans-63.2-41.7177.4-165.8164.1-6.100111.6T375 L379 W380 E381T375-Q377 PolarHBondContact O-N 2.74Å; Q377-L379 VanDerWaalsContact C-N 3.27Å; Q377-L379 PolarHBondContact O-N 3.03Å; Q377-W380 PolarHBondContact O-N 2.91Å; Q377-E381 WeakPolarHBondContact O-CG 3.5Å; Q377-E381 PolarHBondContact O-N 3.47Å
378N81.1Confident75.5Confident69 Ų6974.8 Ų74.837%0.36939%0.388SS..Hα-helixtrans-64.7-29.5174.7-65.33000112.6T375 Q376 I382T375-N378 WeakPolarHBondContact O-CB 3.5Å; T375-N378 PolarHBondContact O-N 2.99Å; T375-N378 VanDerWaalsContact O-N 3.07Å; T375-N378 VanDerWaalsContact OG1-CG 3.26Å; T375-N378 PolarHBondContact OG1-N 2.85Å; T375-N378 PolarHBondContact OG1-OD1 3.24Å; Q376-N378 PolarHBondContact O-N 3.03Å; N378-I382 VanDerWaalsContact O-CG1 3.3Å; N378-I382 WeakPolarHBondContact O-CG1 3.38Å; N378-I382 PolarHBondContact O-N 3.29Å; N378-I382 VanDerWaalsContact O-N 3.11Å
379L87.2Confident76.6Confident30 Ų3074.8 Ų74.816%0.15738%0.382CS..Hα-helixtrans-69.3-42.3178.2-66.4176.9000112.1I334 L366 S374 T375 Q376 Q377 E381 I382 L383I334-L379 HydrophobicContact CB-CD1 4.31Å; I334-L379 HydrophobicContact CD1-CB 4.17Å; I334-L379 HydrophobicContact CD1-CD2 3.92Å; I334-L379 HydrophobicContact CG2-CD1 4.16Å; I334-L379 HydrophobicContact CG2-CD2 4.17Å; L366-L379 HydrophobicContact CD2-CD2 4.06Å; S374-L379 WeakPolarHBondContact OG-CD2 3.37Å; T375-L379 PolarHBondContact O-N 2.9Å; Q376-L379 WeakPolarHBondContact O-CB 3.43Å; Q376-L379 PolarHBondContact O-N 3.13Å; Q376-L379 VanDerWaalsContact O-N 3.17Å; Q377-L379 VanDerWaalsContact C-N 3.27Å; Q377-L379 PolarHBondContact O-N 3.03Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-I382 PolarHBondContact O-N 3.3Å; L379-L383 WeakPolarHBondContact O-CG 3.31Å; L379-L383 PolarHBondContact O-N 3.44Å
380W89.4Confident78.3Confident25 Ų2569.4 Ų69.410%0.09535%0.347CS..Hα-helixtrans-66.3-36.1175.1-70.4110.8000112E318 L321 A322 Q376 Q377 L383 H384E318-W380 HydrophobicContact CB-CZ2 4.02Å; E318-W380 HydrophobicContact CG-CZ2 4.26Å; L321-W380 HydrophobicContact CB-CD2 4.01Å; L321-W380 HydrophobicContact CB-CE3 4.2Å; L321-W380 HydrophobicContact CB-CG 4.33Å; L321-W380 HydrophobicContact CD1-CD2 4.41Å; L321-W380 HydrophobicContact CD1-CG 4.08Å; A322-W380 HydrophobicContact CB-CH2 3.75Å; A322-W380 HydrophobicContact CB-CZ3 3.67Å; Q376-W380 VanDerWaalsContact O-CD1 3.28Å; Q376-W380 PolarHBondContact O-N 2.67Å; Q377-W380 PolarHBondContact O-N 2.91Å; W380-L383 HydrophobicContact CD2-CD1 4.42Å; W380-L383 HydrophobicContact CE3-CD1 3.69Å; W380-L383 HydrophobicContact CZ3-CD1 3.79Å; W380-L383 PolarHBondContact O-N 3.38Å; W380-H384 PolarHBondContact O-CD2 2.95Å; W380-H384 PolarHBondContact O-N 3.4Å
381E88.6Confident80.1Confident109 Ų10967.6 Ų67.651%0.50933%0.333SS..Hα-helixtrans-60.5-44.7172.7-71.7173.9-172.800112Q377 L379 L383 H384 E385Q377-E381 WeakPolarHBondContact O-CG 3.5Å; Q377-E381 PolarHBondContact O-N 3.47Å; L379-E381 VanDerWaalsContact C-N 3.33Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.04Å; E381-H384 PolarHBondContact O-N 2.9Å; E381-E385 WeakPolarHBondContact O-CB 3.27Å; E381-E385 PolarHBondContact O-N 2.89Å
382I90.1Very high81.9Confident31 Ų3169.7 Ų69.716%0.15935%0.35CS..Hα-helixtrans-59.8-43.1174.5-68.6164.1000110.9V362 I365 L366 N378 L379 E385 S386V362-I382 HydrophobicContact CG1-CG2 4.19Å; V362-I382 HydrophobicContact CG2-CG2 4.41Å; I365-I382 HydrophobicContact CD1-CG2 4.25Å; I365-I382 HydrophobicContact CG2-CD1 4.34Å; I365-I382 HydrophobicContact CG2-CG2 4.22Å; L366-I382 HydrophobicContact CD2-CD1 4.34Å; N378-I382 VanDerWaalsContact O-CG1 3.3Å; N378-I382 WeakPolarHBondContact O-CG1 3.38Å; N378-I382 PolarHBondContact O-N 3.29Å; N378-I382 VanDerWaalsContact O-N 3.11Å; L379-I382 PolarHBondContact O-N 3.3Å; I382-E385 PolarHBondContact O-N 2.74Å; I382-S386 WeakPolarHBondContact O-CB 3.32Å; I382-S386 PolarHBondContact O-N 3.43Å; I382-S386 PolarHBondContact O-OG 3.46Å
383L92.3Very high83.8Confident7 Ų765.6 Ų65.64%0.03733%0.327CS..Hα-helixtrans-63.4-47178.3-72.1173.7000111.7L332 I334 Q358 V362 L379 W380 E381 E385 S386 Q387L332-L383 HydrophobicContact CB-CD2 3.82Å; L332-L383 HydrophobicContact CD2-CD2 4.33Å; I334-L383 HydrophobicContact CD1-CD1 4.28Å; I334-L383 HydrophobicContact CD1-CD2 4.04Å; I334-L383 HydrophobicContact CD1-CG 3.95Å; I334-L383 HydrophobicContact CG1-CD1 4.26Å; I334-L383 HydrophobicContact CG1-CD2 4.14Å; I334-L383 HydrophobicContact CG1-CG 4.31Å; Q358-L383 PolarHBondContact NE2-O 3.42Å; V362-L383 HydrophobicContact CG1-CD2 4.36Å; V362-L383 HydrophobicContact CG2-CD2 4.08Å; L379-L383 WeakPolarHBondContact O-CG 3.31Å; L379-L383 PolarHBondContact O-N 3.44Å; W380-L383 HydrophobicContact CD2-CD1 4.42Å; W380-L383 HydrophobicContact CE3-CD1 3.69Å; W380-L383 HydrophobicContact CZ3-CD1 3.79Å; W380-L383 PolarHBondContact O-N 3.38Å; E381-L383 VanDerWaalsContact C-N 3.31Å; E381-L383 PolarHBondContact O-N 3.04Å; L383-E385 PolarHBondContact O-N 2.89Å; L383-S386 PolarHBondContact O-N 3.16Å; L383-S386 PolarHBondContact O-OG 3.23Å; L383-Q387 PolarHBondContact O-N 3.44Å
384H92.4Very high85.8Confident34 Ų3456.1 Ų56.116%0.15729%0.286CS..Hα-helixtrans-63.4-41.4177.4-69.1-47.8000112.7L321 W380 E381 Q387 K388L321-H384 PolarHBondContact O-CE1 3.28Å; W380-H384 PolarHBondContact O-CD2 2.95Å; W380-H384 PolarHBondContact O-N 3.4Å; E381-H384 PolarHBondContact O-N 2.9Å; H384-Q387 WeakPolarHBondContact O-CB 3.13Å; H384-Q387 PolarHBondContact O-N 2.96Å; H384-K388 PolarHBondContact O-N 3.21Å; H384-K388 VanDerWaalsContact O-N 3.08Å
385E91.1Very high87.6Confident100 Ų10057.5 Ų57.547%0.46730%0.296SS..Hα-helixtrans-65.6-41.9176.7-173.255.6-148.800111.4E381 I382 L383 Q387 K388 Q389E381-E385 WeakPolarHBondContact O-CB 3.27Å; E381-E385 PolarHBondContact O-N 2.89Å; I382-E385 PolarHBondContact O-N 2.74Å; L383-E385 PolarHBondContact O-N 2.89Å; E385-Q387 PolarHBondContact O-N 2.94Å; E385-K388 PolarHBondContact O-N 3.04Å; E385-Q389 WeakPolarHBondContact O-CG 3.16Å; E385-Q389 PolarHBondContact O-N 3.44Å
386S92.8Very high89.2Confident1 Ų157.3 Ų57.31%0.00730%0.296CS..Hα-helixtrans-61.5-34.1174.775.30000112.4Q358 V362 I382 L383 Q389 M390Q358-S386 VanDerWaalsContact CG-OG 3.31Å; Q358-S386 WeakPolarHBondContact CG-OG 3.5Å; Q358-S386 PolarHBondContact NE2-OG 3.3Å; V362-S386 WeakPolarHBondContact CG2-OG 3.36Å; I382-S386 WeakPolarHBondContact O-CB 3.32Å; I382-S386 PolarHBondContact O-N 3.43Å; I382-S386 PolarHBondContact O-OG 3.46Å; L383-S386 PolarHBondContact O-N 3.16Å; L383-S386 PolarHBondContact O-OG 3.23Å; S386-Q389 PolarHBondContact O-N 2.93Å; S386-M390 WeakPolarHBondContact O-CG 3.47Å; S386-M390 PolarHBondContact O-N 3.42Å
387Q92.8Very high90.8Very high14 Ų1451.2 Ų51.27%0.06527%0.267CS..Hα-helixtrans-67.2-47176.9-168-170.1-32.700111.2E325 L383 H384 E385 Q389 M390 D391E325-Q387 PolarHBondContact O-NE2 2.97Å; L383-Q387 PolarHBondContact O-N 3.44Å; H384-Q387 WeakPolarHBondContact O-CB 3.13Å; H384-Q387 PolarHBondContact O-N 2.96Å; E385-Q387 PolarHBondContact O-N 2.94Å; Q387-Q389 VanDerWaalsContact C-N 3.26Å; Q387-Q389 PolarHBondContact O-N 3.14Å; Q387-M390 CarbonylContact O-C 3.56Å; Q387-M390 WeakPolarHBondContact O-CA 3.02Å; Q387-M390 WeakPolarHBondContact O-CB 3.38Å; Q387-M390 PolarHBondContact O-N 3.3Å; Q387-D391 PolarHBondContact O-N 3.46Å
388K91.7Very high92.3Very high108 Ų10845.8 Ų45.847%0.4724%0.243SC..Hα-helixtrans-57.8-40.2175.2-70.8176.8-179.2175.50111.9H384 E385 M390 D391 A392H384-K388 PolarHBondContact O-N 3.21Å; H384-K388 VanDerWaalsContact O-N 3.08Å; E385-K388 PolarHBondContact O-N 3.04Å; K388-M390 VanDerWaalsContact C-N 3.33Å; K388-M390 PolarHBondContact O-N 3.12Å; K388-D391 PolarHBondContact O-N 3.29Å; K388-A392 PolarHBondContact O-N 2.75Å; K388-A392 VanDerWaalsContact O-N 3.14Å
389Q91.5Very high93.1Very high61 Ų6150.5 Ų50.529%0.28526%0.26SS..Hα-helixtrans-62-40.3173.3-70.7-177.39.400112.2E385 S386 Q387 A392 H393E385-Q389 WeakPolarHBondContact O-CG 3.16Å; E385-Q389 PolarHBondContact O-N 3.44Å; S386-Q389 PolarHBondContact O-N 2.93Å; Q387-Q389 VanDerWaalsContact C-N 3.26Å; Q387-Q389 PolarHBondContact O-N 3.14Å; Q389-A392 PolarHBondContact O-N 2.94Å; Q389-H393 VanDerWaalsContact O-CB 3.29Å; Q389-H393 WeakPolarHBondContact O-CB 3.47Å; Q389-H393 PolarHBondContact O-CD2 3Å; Q389-H393 PolarHBondContact O-N 3.27Å
390M94.5Very high93.6Very high1 Ų150.1 Ų50.11%0.00526%0.263CS..Hα-helixtrans-67.3-38.7175.8-68.9-48.98800112.1M272 C357 Q358 S386 Q387 K388 A392 H393 F394M272-M390 HydrophobicContact CE-CE 3.34Å; M272-M390 HydrophobicContact CE-SD 3.75Å; C357-M390 HydrophobicContact CB-SD 3.91Å; Q358-M390 HydrophobicContact CB-CG 3.73Å; Q358-M390 HydrophobicContact CB-SD 4.42Å; Q358-M390 HydrophobicContact CG-CG 3.95Å; S386-M390 WeakPolarHBondContact O-CG 3.47Å; S386-M390 PolarHBondContact O-N 3.42Å; Q387-M390 CarbonylContact O-C 3.56Å; Q387-M390 WeakPolarHBondContact O-CA 3.02Å; Q387-M390 WeakPolarHBondContact O-CB 3.38Å; Q387-M390 PolarHBondContact O-N 3.3Å; K388-M390 VanDerWaalsContact C-N 3.33Å; K388-M390 PolarHBondContact O-N 3.12Å; M390-A392 VanDerWaalsContact C-N 3.29Å; M390-A392 PolarHBondContact O-N 3.35Å; M390-H393 PolarHBondContact O-N 3.32Å; M390-F394 WeakPolarHBondContact O-CB 3.44Å; M390-F394 PolarHBondContact O-N 3.05Å
391D93.1Very high94Very high88 Ų8849 Ų4947%0.47126%0.259SS..Hα-helixtrans-58.8-42175.8-72.1-38.8000111.9R354 Q387 K388R354-D391 IonicContact CZ-OD1 2.74Å; R354-D391 IonicContact NH2-OD1 3.08Å; R354-D391 PolarHBondContact NH2-OD1 2.83Å; Q387-D391 PolarHBondContact O-N 3.46Å; K388-D391 PolarHBondContact O-N 3.29Å
392A91.4Very high94.4Very high62 Ų6250.1 Ų50.151%0.51226%0.262SS..Hα-helixtrans-74.6-32.3179.400000113.8K388 Q389 M390K388-A392 PolarHBondContact O-N 2.75Å; K388-A392 VanDerWaalsContact O-N 3.14Å; Q389-A392 PolarHBondContact O-N 2.94Å; M390-A392 VanDerWaalsContact C-N 3.29Å; M390-A392 PolarHBondContact O-N 3.35Å
393H93.5Very high94.8Very high51 Ų5152.9 Ų52.924%0.23629%0.29CS..Hα-helixtrans-119-17.5-163.1-65.3-41.4000116Y275 R279 Q389 M390 P396 F397Y275-H393 HydrophobicContact CE1-CB 4.16Å; Y275-H393 PolarHBondContact OH-O 2.93Å; R279-H393 PolarHBondContact NH1-CE1 3.11Å; R279-H393 PolarHBondContact NH1-ND1 3.05Å; R279-H393 PolarHBondContact NH1-NE2 3.27Å; R279-H393 PolarHBondContact NH2-CE1 3.18Å; R279-H393 PolarHBondContact NH2-NE2 3.26Å; Q389-H393 VanDerWaalsContact O-CB 3.29Å; Q389-H393 WeakPolarHBondContact O-CB 3.47Å; Q389-H393 PolarHBondContact O-CD2 3Å; Q389-H393 PolarHBondContact O-N 3.27Å; M390-H393 PolarHBondContact O-N 3.32Å; H393-P396 WeakPolarHBondContact O-CD 3.28Å; H393-F397 VanDerWaalsContact O-CB 3.24Å; H393-F397 WeakPolarHBondContact O-CB 3.34Å; H393-F397 PolarHBondContact O-N 3.02Å
394F95.9Very high95Very high2 Ų254 Ų541%0.00930%0.3CS..Hα-helixtrans-69.4-41-172-177.9-107.8000113.4R350 I353 R354 M390 F397 L398R350-F394 HydrophobicContact CG-CE1 3.91Å; R350-F394 HydrophobicContact CG-CZ 4.27Å; R350-F394 WeakPolarHBondContact O-CZ 3.37Å; I353-F394 HydrophobicContact CG2-CE2 4.1Å; I353-F394 HydrophobicContact CG2-CZ 4.32Å; R354-F394 HydrophobicContact CB-CD1 4.12Å; R354-F394 HydrophobicContact CB-CD2 4.05Å; R354-F394 HydrophobicContact CB-CE1 3.67Å; R354-F394 HydrophobicContact CB-CE2 3.63Å; R354-F394 HydrophobicContact CB-CG 4.29Å; R354-F394 HydrophobicContact CB-CZ 3.42Å; R354-F394 VanDerWaalsContact CB-CZ 3.42Å; R354-F394 HydrophobicContact CG-CB 4.49Å; R354-F394 HydrophobicContact CG-CD1 3.8Å; R354-F394 HydrophobicContact CG-CD2 3.82Å; R354-F394 HydrophobicContact CG-CE1 3.9Å; R354-F394 HydrophobicContact CG-CE2 3.94Å; R354-F394 HydrophobicContact CG-CG 3.76Å; R354-F394 HydrophobicContact CG-CZ 3.98Å; M390-F394 WeakPolarHBondContact O-CB 3.44Å; M390-F394 PolarHBondContact O-N 3.05Å; F394-F397 HydrophobicContact CD2-CD1 4.18Å; F394-F397 HydrophobicContact CE2-CD1 4.25Å; F394-F397 WeakPolarHBondContact O-CB 3.47Å; F394-F397 PolarHBondContact O-N 3.47Å; F394-L398 HydrophobicContact CE1-CB 4.47Å; F394-L398 HydrophobicContact CE1-CD2 4.01Å; F394-L398 HydrophobicContact CZ-CB 4.38Å; F394-L398 HydrophobicContact CZ-CD1 4.26Å; F394-L398 HydrophobicContact CZ-CD2 4.16Å; F394-L398 WeakPolarHBondContact O-CB 3.33Å; F394-L398 PolarHBondContact O-N 3.29Å
395S96.4Very high95.2Very high64 Ų6454.4 Ų54.445%0.44831%0.313SS..Hα-helixtrans-65.1-47.2-179.4-63.90000112.8F397 K399S395-F397 VanDerWaalsContact C-N 3.34Å; S395-K399 PolarHBondContact O-N 3.31Å; S395-K399 VanDerWaalsContact O-N 3.15Å
396P96.9Very high95.6Very high75 Ų7550.1 Ų50.149%0.48729%0.293SS..Hα-helixtrans-62.6-39171.9-2232.4000113H393 G400H393-P396 WeakPolarHBondContact O-CD 3.28Å; P396-G400 PolarHBondContact O-N 3.14Å
397F97.7Very high95.7Very high1 Ų152.5 Ų52.50%0.00431%0.306CS..Hα-helixtrans-55-62.2173.8172.4-103.5000109.9L268 V271 M272 Y275 I281 C357 H393 F394 S395 K399 G400 V401L268-F397 HydrophobicContact CD1-CZ 4.36Å; V271-F397 HydrophobicContact CG1-CE2 3.95Å; V271-F397 HydrophobicContact CG1-CZ 4.19Å; M272-F397 HydrophobicContact CB-CZ 4.46Å; M272-F397 HydrophobicContact SD-CD2 4.09Å; M272-F397 HydrophobicContact SD-CE1 4.49Å; M272-F397 HydrophobicContact SD-CE2 3.88Å; M272-F397 HydrophobicContact SD-CG 4.45Å; M272-F397 HydrophobicContact SD-CZ 4.11Å; Y275-F397 HydrophobicContact CD1-CB 4.05Å; Y275-F397 AromaticContact CD1-CD2 3.5Å; Y275-F397 HydrophobicContact CD1-CD2 3.5Å; Y275-F397 HydrophobicContact CD1-CE2 4.36Å; Y275-F397 HydrophobicContact CD1-CG 4.18Å; Y275-F397 HydrophobicContact CD2-CD2 4.22Å; Y275-F397 HydrophobicContact CE1-CB 3.64Å; Y275-F397 AromaticContact CE1-CD2 4Å; Y275-F397 HydrophobicContact CE1-CD2 4Å; Y275-F397 HydrophobicContact CE1-CG 4.26Å; Y275-F397 AromaticContact CG-CD2 3.6Å; Y275-F397 HydrophobicContact CG-CD2 3.6Å; Y275-F397 HydrophobicContact CG-CE2 4.28Å; Y275-F397 PolarHBondContact OH-N 2.98Å; I281-F397 HydrophobicContact CD1-CD2 3.53Å; I281-F397 HydrophobicContact CD1-CE2 3.86Å; I281-F397 HydrophobicContact CD1-CG 4.48Å; C357-F397 VanDerWaalsContact SG-CE1 3.51Å; H393-F397 VanDerWaalsContact O-CB 3.24Å; H393-F397 WeakPolarHBondContact O-CB 3.34Å; H393-F397 PolarHBondContact O-N 3.02Å; F394-F397 HydrophobicContact CD2-CD1 4.18Å; F394-F397 HydrophobicContact CE2-CD1 4.25Å; F394-F397 WeakPolarHBondContact O-CB 3.47Å; F394-F397 PolarHBondContact O-N 3.47Å; S395-F397 VanDerWaalsContact C-N 3.34Å; F397-K399 VanDerWaalsContact C-N 3.27Å; F397-K399 PolarHBondContact O-N 3.44Å; F397-G400 CarbonylContact O-C 3.59Å; F397-G400 VanDerWaalsContact O-CA 3.32Å; F397-G400 WeakPolarHBondContact O-CA 3.26Å; F397-G400 PolarHBondContact O-N 3.35Å; F397-V401 HydrophobicContact CD1-CG2 3.67Å; F397-V401 HydrophobicContact CD2-CG2 4.03Å; F397-V401 HydrophobicContact CE1-CG2 3.53Å; F397-V401 HydrophobicContact CE2-CG2 3.93Å; F397-V401 HydrophobicContact CG-CG2 3.93Å; F397-V401 HydrophobicContact CZ-CG2 3.67Å; F397-V401 WeakPolarHBondContact O-CG2 3.14Å; F397-V401 PolarHBondContact O-N 3Å
398L97.8Very high95.8Very high28 Ų2853.1 Ų53.115%0.14731%0.31CS..Hα-helixtrans-52.8-43.2-176.1-170.865.3000112.4R350 F394 V401 K402 T408R350-L398 HydrophobicContact CG-CD2 3.73Å; F394-L398 HydrophobicContact CE1-CB 4.47Å; F394-L398 HydrophobicContact CE1-CD2 4.01Å; F394-L398 HydrophobicContact CZ-CB 4.38Å; F394-L398 HydrophobicContact CZ-CD1 4.26Å; F394-L398 HydrophobicContact CZ-CD2 4.16Å; F394-L398 WeakPolarHBondContact O-CB 3.33Å; F394-L398 PolarHBondContact O-N 3.29Å; L398-V401 PolarHBondContact O-N 3.46Å; L398-K402 PolarHBondContact O-N 2.94Å; L398-T408 HydrophobicContact CD1-CG2 4.02Å
399K97.4Very high96Very high169 Ų16955.3 Ų55.374%0.73532%0.322SS*.Hα-helixtrans-61.3-44.1175.2-173.5-179.1-179.5-178.40111.7S395 F397 A403S395-K399 PolarHBondContact O-N 3.31Å; S395-K399 VanDerWaalsContact O-N 3.15Å; F397-K399 VanDerWaalsContact C-N 3.27Å; F397-K399 PolarHBondContact O-N 3.44Å; K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 2.93Å
400G97.9Very high95.9Very high22 Ų2258.1 Ų58.123%0.22733%0.33CS..Hα-helixtrans-65.5-39.2176.400000113P396 F397 A403 A404P396-G400 PolarHBondContact O-N 3.14Å; F397-G400 CarbonylContact O-C 3.59Å; F397-G400 VanDerWaalsContact O-CA 3.32Å; F397-G400 WeakPolarHBondContact O-CA 3.26Å; F397-G400 PolarHBondContact O-N 3.35Å; G400-A403 PolarHBondContact O-N 2.98Å; G400-A404 WeakPolarHBondContact O-CB 3.45Å; G400-A404 PolarHBondContact O-N 3.48Å
401V97.9Very high95.7Very high1 Ų158.7 Ų58.71%0.00633%0.334CS..Hα-helixtrans-63.8-44.8177.1-141.90000111.2F263 V271 I281 F397 L398 A403 A404 G405 W406F263-V401 HydrophobicContact CE2-CG1 3.55Å; F263-V401 HydrophobicContact CZ-CG1 3.33Å; V271-V401 HydrophobicContact CG1-CG1 4.38Å; I281-V401 HydrophobicContact CD1-CG2 4.44Å; I281-V401 HydrophobicContact CG2-CG1 4.48Å; F397-V401 HydrophobicContact CD1-CG2 3.67Å; F397-V401 HydrophobicContact CD2-CG2 4.03Å; F397-V401 HydrophobicContact CE1-CG2 3.53Å; F397-V401 HydrophobicContact CE2-CG2 3.93Å; F397-V401 HydrophobicContact CG-CG2 3.93Å; F397-V401 HydrophobicContact CZ-CG2 3.67Å; F397-V401 WeakPolarHBondContact O-CG2 3.14Å; F397-V401 PolarHBondContact O-N 3Å; L398-V401 PolarHBondContact O-N 3.46Å; V401-A403 PolarHBondContact O-N 3.25Å; V401-A404 PolarHBondContact O-N 2.97Å; V401-G405 PolarHBondContact O-N 2.93Å; V401-W406 HydrophobicContact CG1-CB 3.78Å; V401-W406 HydrophobicContact CG1-CD2 4.35Å; V401-W406 HydrophobicContact CG1-CG 3.54Å; V401-W406 PolarHBondContact O-N 3.47Å
402K97.3Very high95.6Very high133 Ų13355.8 Ų55.858%0.57832%0.318SS*.Hα-helixtrans-61.9-42.4174-172.9168.3-175.6163.80112L398 A404 G405 T408L398-K402 PolarHBondContact O-N 2.94Å; K402-A404 VanDerWaalsContact C-N 3.27Å; K402-A404 PolarHBondContact O-N 2.86Å; K402-G405 PolarHBondContact O-N 3.13Å; K402-T408 HydrophobicContact CB-CG2 4.45Å
403A97.8Very high95.5Very high88 Ų8853.1 Ų53.173%0.72730%0.295SS*.Hα-helixtrans-66.5-28177.300000113.3K399 G400 V401 G405K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 2.93Å; G400-A403 PolarHBondContact O-N 2.98Å; V401-A403 PolarHBondContact O-N 3.25Å; A403-G405 VanDerWaalsContact C-N 3.27Å; A403-G405 PolarHBondContact O-N 3.47Å
404A97.7Very high95.1Very high31 Ų3153 Ų5326%0.25630%0.297SS..THydrogen-bonded Turntrans-81.7-0.8177.200000113.9I281 P284 G400 V401 K402I281-A404 HydrophobicContact CG2-CB 3.64Å; P284-A404 VanDerWaalsContact CD-O 3.27Å; P284-A404 WeakPolarHBondContact CD-O 3.36Å; G400-A404 WeakPolarHBondContact O-CB 3.45Å; G400-A404 PolarHBondContact O-N 3.48Å; V401-A404 PolarHBondContact O-N 2.97Å; K402-A404 VanDerWaalsContact C-N 3.27Å; K402-A404 PolarHBondContact O-N 2.86Å
405G96.8Very high94.5Very high42 Ų4257.2 Ų57.243%0.43331%0.312SS..THydrogen-bonded Turntrans91.320.317500000115.3V401 K402 A403V401-G405 PolarHBondContact O-N 2.93Å; K402-G405 PolarHBondContact O-N 3.13Å; A403-G405 VanDerWaalsContact C-N 3.27Å; A403-G405 PolarHBondContact O-N 3.47Å
406W97.8Very high94.2Very high10 Ų1058.5 Ų58.54%0.03831%0.314CS..  trans-82.1145.1171.6-66.989.1000111.9E261 T262 F263 R267 V271 L282 P284 A287 V401 T408E261-W406 VanDerWaalsContact O-CE3 3.25Å; T262-W406 WeakPolarHBondContact O-CZ3 3.24Å; F263-W406 AromaticContact CD1-CE3 3.94Å; F263-W406 HydrophobicContact CD1-CE3 3.94Å; F263-W406 AromaticContact CD1-CZ3 3.93Å; F263-W406 HydrophobicContact CD1-CZ3 3.93Å; F263-W406 HydrophobicContact CD2-CE3 4.36Å; F263-W406 AromaticContact CE1-CD2 3.72Å; F263-W406 HydrophobicContact CE1-CD2 3.72Å; F263-W406 AromaticContact CE1-CE3 3.45Å; F263-W406 HydrophobicContact CE1-CE3 3.45Å; F263-W406 VanDerWaalsContact CE1-CE3 3.45Å; F263-W406 HydrophobicContact CE1-CG 4.49Å; F263-W406 AromaticContact CE1-CH2 3.93Å; F263-W406 HydrophobicContact CE1-CH2 3.93Å; F263-W406 HydrophobicContact CE1-CZ2 4.13Å; F263-W406 AromaticContact CE1-CZ3 3.59Å; F263-W406 HydrophobicContact CE1-CZ3 3.59Å; F263-W406 HydrophobicContact CE2-CB 3.9Å; F263-W406 AromaticContact CE2-CD2 3.95Å; F263-W406 HydrophobicContact CE2-CD2 3.95Å; F263-W406 AromaticContact CE2-CE3 3.92Å; F263-W406 HydrophobicContact CE2-CE3 3.92Å; F263-W406 AromaticContact CE2-CG 3.97Å; F263-W406 HydrophobicContact CE2-CG 3.97Å; F263-W406 HydrophobicContact CG-CE3 4.36Å; F263-W406 HydrophobicContact CZ-CB 4.09Å; F263-W406 AromaticContact CZ-CD2 3.31Å; F263-W406 HydrophobicContact CZ-CD2 3.31Å; F263-W406 AromaticContact CZ-CE2 3.83Å; F263-W406 AromaticContact CZ-CE3 3.42Å; F263-W406 HydrophobicContact CZ-CE3 3.42Å; F263-W406 VanDerWaalsContact CZ-CE3 3.42Å; F263-W406 AromaticContact CZ-CG 3.63Å; F263-W406 HydrophobicContact CZ-CG 3.63Å; F263-W406 HydrophobicContact CZ-CZ2 4.39Å; F263-W406 HydrophobicContact CZ-CZ3 4.06Å; R267-W406 HydrophobicContact CB-CH2 4.04Å; R267-W406 HydrophobicContact CB-CZ3 4.13Å; R267-W406 HydrophobicContact CG-CH2 4.25Å; R267-W406 HydrophobicContact CG-CZ3 4.42Å; V271-W406 HydrophobicContact CG2-CH2 4.17Å; V271-W406 HydrophobicContact CG2-CZ2 3.49Å; V271-W406 VanDerWaalsContact CG2-CZ2 3.49Å; L282-W406 PolarHBondContact O-NE1 3.33Å; P284-W406 HydrophobicContact CB-CH2 4.39Å; P284-W406 HydrophobicContact CB-CZ2 4.33Å; P284-W406 HydrophobicContact CG-CD2 3.9Å; P284-W406 HydrophobicContact CG-CE3 4.3Å; P284-W406 HydrophobicContact CG-CG 4.19Å; P284-W406 HydrophobicContact CG-CZ2 4.26Å; A287-W406 HydrophobicContact CB-CH2 3.65Å; A287-W406 HydrophobicContact CB-CZ2 3.49Å; A287-W406 VanDerWaalsContact CB-CZ2 3.49Å; V401-W406 HydrophobicContact CG1-CB 3.78Å; V401-W406 HydrophobicContact CG1-CD2 4.35Å; V401-W406 HydrophobicContact CG1-CG 3.54Å; V401-W406 PolarHBondContact O-N 3.47Å; W406-T408 PolarHBondContact O-N 2.99Å
407D95.8Very high93.9Very high52 Ų5261.5 Ų61.528%0.27832%0.322SS..  trans-75.4118.3168.1-175.7-5.8000109.5E261 T262 E409 R410E261-D407 PolarHBondContact O-N 3.26Å; T262-D407 HydrophobicContact CG2-CB 4.29Å; D407-E409 WeakPolarHBondContact OD1-CA 3.32Å; D407-E409 PolarHBondContact OD1-N 3.22Å; D407-R410 PolarHBondContact OD1-N 3.2Å; D407-R410 VanDerWaalsContact OD1-N 3.1Å
408T95.4Very high93.8Very high27 Ų2766.9 Ų66.917%0.16634%0.342CS..  trans-110.12.6177.462.60000112.7L398 K402 W406L398-T408 HydrophobicContact CD1-CG2 4.02Å; K402-T408 HydrophobicContact CB-CG2 4.45Å; W406-T408 PolarHBondContact O-N 2.99Å
409E94.4Very high93.7Very high153 Ų15369 Ų6972%0.71535%0.348SS*.SBendtrans-95.9-22.1178.9-61.6-175.3-179.900111.2D407D407-E409 WeakPolarHBondContact OD1-CA 3.32Å; D407-E409 PolarHBondContact OD1-N 3.22Å
410R90.7Very high93.5Very high120 Ų12061.9 Ų61.945%0.45332%0.319SS..  trans-132.1143.2173.1-175.4178.6177.2-176.30.5112.1D407D407-R410 PolarHBondContact OD1-N 3.2Å; D407-R410 VanDerWaalsContact OD1-N 3.1Å
411T89Confident93.2Very high14 Ų1467.8 Ų67.89%0.08634%0.34CS..BIsolated β-bridgetrans-126.1162173.471.40000111.8V349 E352 I353 L413V349-T411 HydrophobicContact CG1-CG2 3.57Å; E352-T411 PolarHBondContact OE2-OG1 3.16Å; I353-T411 HydrophobicContact CD1-CG2 3.93Å; I353-T411 HydrophobicContact CG1-CG2 3.56Å; T411-L413 HydrophobicContact CG2-CD1 3.72Å; T411-L413 HydrophobicContact CG2-CG 4.42Å
412L91.9Very high92.5Very high27 Ų2773 Ų7314%0.14136%0.36CS..  trans-127.952.9172.5-59.6174.9000109.3D134 S135 T262 F263 N264 D414D134-L412 HydrophobicContact CB-CD2 4.2Å; S135-L412 WeakPolarHBondContact CB-O 3.46Å; T262-L412 WeakPolarHBondContact OG1-CD1 3.38Å; F263-L412 CarbonylContact O-C 3.56Å; F263-L412 WeakPolarHBondContact O-CA 3.47Å; F263-L412 PolarHBondContact O-N 3.19Å; N264-L412 WeakPolarHBondContact CA-O 3.35Å; L412-D414 VanDerWaalsContact C-N 3.34Å; L412-D414 PolarHBondContact O-N 3.13Å
413L89.6Confident91.5Very high5 Ų576 Ų763%0.02637%0.373CS..  trans-9019.8-171.8-67.7163.1000114.6F263 L268 L305 M356 T411 W415F263-L413 HydrophobicContact CB-CD2 4.48Å; L268-L413 HydrophobicContact CD2-CD2 4.02Å; L305-L413 HydrophobicContact CD2-CB 3.79Å; M356-L413 HydrophobicContact CB-CD1 4.24Å; M356-L413 HydrophobicContact CB-CD2 4.29Å; M356-L413 HydrophobicContact CE-CD2 4.29Å; M356-L413 HydrophobicContact CG-CB 4.33Å; M356-L413 HydrophobicContact CG-CD1 3.88Å; M356-L413 HydrophobicContact CG-CD2 4.11Å; M356-L413 HydrophobicContact CG-CG 4.31Å; T411-L413 HydrophobicContact CG2-CD1 3.72Å; T411-L413 HydrophobicContact CG2-CG 4.42Å; L413-W415 PolarHBondContact O-N 3.43Å
414D84.2Confident89.7Confident50 Ų5077.8 Ų77.827%0.26738%0.375SS..  trans50.550.9173.4-16835.3000114K132 L412K132-D414 WeakPolarHBondContact CD-OD2 3.49Å; K132-D414 WeakPolarHBondContact CE-OD2 3.43Å; K132-D414 WeakPolarHBondContact CG-OD1 3.33Å; K132-D414 IonicContact NZ-OD1 3.64Å; K132-D414 IonicContact NZ-OD2 3.65Å; K132-D414 PolarHBondContact NZ-OD2 3.1Å; L412-D414 VanDerWaalsContact C-N 3.34Å; L412-D414 PolarHBondContact O-N 3.13Å
415W85.1Confident87.6Confident89 Ų8986 Ų8634%0.33741%0.405SS..BIsolated β-bridgetrans-86.3152.3-179.258.5-94.1000113.1L305 L413 E417L305-W415 HydrophobicContact CB-CB 3.9Å; L305-W415 HydrophobicContact CD2-CB 3.75Å; L305-W415 HydrophobicContact CG-CB 3.63Å; L305-W415 WeakPolarHBondContact O-CA 3.47Å; L413-W415 PolarHBondContact O-N 3.43Å; W415-E417 WeakPolarHBondContact CH2-OE1 3.41Å; W415-E417 HydrophobicContact CZ3-CG 4.32Å; W415-E417 WeakPolarHBondContact CZ3-OE1 3.42Å; W415-E417 VanDerWaalsContact CZ3-OE2 3.3Å; W415-E417 WeakPolarHBondContact CZ3-OE2 3.49Å
416D89.5Confident84.5Confident91 Ų9191.6 Ų91.649%0.48743%0.425SS..  trans-101.3159.1172-164.2-1.9000110.5L305 G306 W418 R419L305-D416 PolarHBondContact O-N 3.22Å; G306-D416 WeakPolarHBondContact CA-O 3.31Å; G306-D416 CarbonylContact O-C 3.48Å; G306-D416 WeakPolarHBondContact O-CB 3.46Å; G306-D416 VanDerWaalsContact O-O 3.14Å; D416-W418 PolarHBondContact O-N 2.9Å; D416-W418 VanDerWaalsContact O-N 3.08Å; D416-R419 PolarHBondContact O-NH1 3.5Å
417E91.1Very high81.6Confident139 Ų139100.4 Ų100.465%0.6549%0.488SS*.SBendtrans-76.82.7-163.5-65.6-67.2149.600114.3W415 R419W415-E417 WeakPolarHBondContact CH2-OE1 3.41Å; W415-E417 HydrophobicContact CZ3-CG 4.32Å; W415-E417 WeakPolarHBondContact CZ3-OE1 3.42Å; W415-E417 VanDerWaalsContact CZ3-OE2 3.3Å; W415-E417 WeakPolarHBondContact CZ3-OE2 3.49Å; E417-R419 PolarHBondContact O-N 3.4Å
418W95.3Very high80.9Confident113 Ų113102.9 Ų102.943%0.42850%0.499SS..  trans-71.4129.4-178.7-58.789.9000111.4G306 V307 R308 D416G306-W418 VanDerWaalsContact O-CB 3.25Å; G306-W418 WeakPolarHBondContact O-CB 3.45Å; G306-W418 PolarHBondContact O-N 2.95Å; V307-W418 WeakPolarHBondContact O-CB 3.3Å; R308-W418 HydrophobicContact CG-CD2 3.41Å; R308-W418 VanDerWaalsContact CG-CD2 3.41Å; R308-W418 HydrophobicContact CG-CE3 3.69Å; R308-W418 HydrophobicContact CG-CG 3.8Å; R308-W418 HydrophobicContact CG-CH2 4.35Å; R308-W418 HydrophobicContact CG-CZ2 4.14Å; R308-W418 HydrophobicContact CG-CZ3 4.13Å; R308-W418 VanDerWaalsContact NH2-CZ2 3.3Å; D416-W418 PolarHBondContact O-N 2.9Å; D416-W418 VanDerWaalsContact O-N 3.08Å
419R95.1Very high80.1Confident74 Ų74106.8 Ų106.828%0.27952%0.516SS..EExtended strand (participates in β ladder)trans-130.6139.5172.6-61.6-62.5-179.1-79.7-1.1110.2L343 T345 D416 E417L343-R419 CarbonylContact O-C 3.52Å; L343-R419 VanDerWaalsContact O-CA 3.26Å; L343-R419 WeakPolarHBondContact O-CA 3.35Å; T345-R419 HydrophobicContact CG2-CB 3.86Å; D416-R419 PolarHBondContact O-NH1 3.5Å; E417-R419 PolarHBondContact O-N 3.4Å
420V93.6Very high79.3Confident19 Ų19104.3 Ų104.312%0.11551%0.505CS..EExtended strand (participates in β ladder)trans-96.3130.7174670000109.7L309 L343 G344 T345 W422L309-V420 HydrophobicContact CD2-CG2 4.22Å; L343-V420 PolarHBondContact O-N 3.42Å; G344-V420 WeakPolarHBondContact CA-O 3.31Å; T345-V420 PolarHBondContact N-O 3.22Å; V420-W422 HydrophobicContact CB-CZ2 4.45Å; V420-W422 HydrophobicContact CG1-CH2 4.43Å; V420-W422 HydrophobicContact CG1-CZ2 3.66Å; V420-W422 HydrophobicContact CG2-CD2 4.25Å; V420-W422 HydrophobicContact CG2-CE3 4.29Å; V420-W422 HydrophobicContact CG2-CH2 3.94Å; V420-W422 HydrophobicContact CG2-CZ2 3.9Å; V420-W422 HydrophobicContact CG2-CZ3 4.14Å
421E91.6Very high78.6Confident146 Ų146103.4 Ų103.468%0.68251%0.508SS*.  trans-108.8122.6170.2-172.8-177.7-17200108.4T345 K423T345-E421 HydrophobicContact CG2-CB 4.05Å; E421-K423 PolarHBondContact O-N 2.93Å
422W82.8Confident78Confident110 Ų110108.9 Ų108.942%0.41754%0.535SS..  trans-86108.6175-53.1107000108.3L309 L319 L323 L331 V420 T424L309-W422 HydrophobicContact CD1-CH2 3.93Å; L309-W422 HydrophobicContact CD2-CH2 4.1Å; L309-W422 HydrophobicContact CD2-CZ3 4.2Å; L319-W422 HydrophobicContact CD1-CH2 3.93Å; L319-W422 HydrophobicContact CD1-CZ3 4.27Å; L323-W422 HydrophobicContact CD2-CH2 4.44Å; L323-W422 HydrophobicContact CD2-CZ2 4.37Å; L331-W422 HydrophobicContact CD1-CH2 3.72Å; L331-W422 HydrophobicContact CD1-CZ2 3.68Å; L331-W422 HydrophobicContact CG-CZ2 4.23Å; V420-W422 HydrophobicContact CB-CZ2 4.45Å; V420-W422 HydrophobicContact CG1-CH2 4.43Å; V420-W422 HydrophobicContact CG1-CZ2 3.66Å; V420-W422 HydrophobicContact CG2-CD2 4.25Å; V420-W422 HydrophobicContact CG2-CE3 4.29Å; V420-W422 HydrophobicContact CG2-CH2 3.94Å; V420-W422 HydrophobicContact CG2-CZ2 3.9Å; V420-W422 HydrophobicContact CG2-CZ3 4.14Å; W422-T424 PolarHBondContact O-N 2.91Å; W422-T424 VanDerWaalsContact O-N 3.09Å
423K77.3Confident77.1Confident196 Ų196114.4 Ų114.485%0.85256%0.561SS**  trans-61.1117.6164.8-69.6-175.3178.8-179.10106.9E421 K425E421-K423 PolarHBondContact O-N 2.93Å; K423-K425 PolarHBondContact O-N 3.32Å
424T59.9Low76.2Confident125 Ų125122.2 Ų122.277%0.76760%0.599SS**  trans-44.3133.9-173.51.10000111.5W422 N426W422-T424 PolarHBondContact O-N 2.91Å; W422-T424 VanDerWaalsContact O-N 3.09Å; T424-N426 PolarHBondContact O-N 2.7Å
425K52.4Low75.5Confident203 Ų203127.8 Ų127.888%0.88363%0.625SS**  trans-46.8112.9154.5-78.9172.4172.2172.60106.7K423 S427K423-K425 PolarHBondContact O-N 3.32Å; K425-S427 PolarHBondContact O-N 3.15Å
426N32.8Very low74.7Confident161 Ų161131 Ų13186%0.86165%0.649SS**  trans-57.8124.1166.6-87.7-13.5000107.4T424T424-N426 PolarHBondContact O-N 2.7Å
427S35.5Very low73.4Confident195 Ų195134.6 Ų134.6100%1.36466%0.663SS**  trans-410178.6-24.80000114.6K425K425-S427 PolarHBondContact O-N 3.15Å

Retrieved 427 of 427 residues in 255.4 ms (Link to these results)

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